#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qwn s GLN 32 N 0.00 3.63 -0.34 0.00 -0.21 -1.26 -4.98 119.66 116.50 1qwn s GLN 32 Ca 0.00 1.83 -0.23 0.00 0.02 0.00 0.00 55.36 56.98 1qwn s GLN 32 Cb 0.00 -2.35 0.00 0.00 1.00 0.00 0.00 33.01 31.67 1qwn s GLN 32 CO 0.00 -0.68 0.76 0.34 -2.12 0.00 0.00 175.29 173.59 1qwn s ASP 33 N -1.34 6.57 0.00 5.90 3.68 -1.26 -4.85 116.67 125.37 1qwn s ASP 33 Ca 0.66 0.44 0.25 0.00 2.13 0.00 0.00 52.55 56.02 1qwn s ASP 33 Cb -0.30 -2.39 0.87 0.00 -1.45 0.00 0.00 42.92 39.65 1qwn s ASP 33 CO 0.36 -0.66 1.63 1.33 0.13 0.00 0.00 175.17 177.96 1qwn n VAL 34 N 5.66 0.10 -0.07 1.11 0.24 -1.26 -4.20 118.33 119.90 1qwn n VAL 34 Ca 0.02 -0.32 -0.12 0.00 -2.04 0.00 0.00 64.34 61.88 1qwn n VAL 34 Cb 0.48 0.51 -0.06 0.00 -1.47 0.00 0.00 33.84 33.30 1qwn n VAL 34 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1qwn n VAL 35 N 0.34 0.84 0.99 3.34 0.31 -1.26 -4.85 118.33 118.03 1qwn n VAL 35 Ca 0.18 -0.28 0.11 0.00 -0.01 0.00 0.00 64.34 64.33 1qwn n VAL 35 Cb 0.37 -1.26 -0.02 0.00 -0.91 0.00 0.00 33.84 32.02 1qwn n VAL 35 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1qwn n GLN 36 N -3.20 1.10 -3.81 5.55 6.02 -1.26 -4.25 117.38 117.53 1qwn n GLN 36 Ca -0.27 -0.88 -0.36 0.00 -0.01 0.00 0.00 57.00 55.48 1qwn n GLN 36 Cb 0.75 -1.47 -0.12 0.00 1.02 0.00 0.00 30.24 30.42 1qwn n GLN 36 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1qwn s ASP 37 N -2.52 5.17 -0.11 1.08 1.01 -1.26 -4.95 116.67 115.09 1qwn s ASP 37 Ca 0.17 -1.93 -0.29 0.00 0.71 0.00 0.00 52.55 51.20 1qwn s ASP 37 Cb 0.18 -1.80 -0.03 0.00 1.01 0.00 0.00 42.92 42.27 1qwn s ASP 37 CO 0.60 -0.49 1.42 -0.69 0.21 0.00 0.00 175.17 176.22 1qwn s VAL 38 N 1.14 3.97 0.44 -1.27 1.01 -1.26 -4.67 120.40 119.75 1qwn s VAL 38 Ca 0.07 1.19 -0.25 0.00 0.00 0.00 0.00 61.98 62.98 1qwn s VAL 38 Cb -0.22 -3.77 -0.08 0.00 0.00 0.00 0.00 36.38 32.31 1qwn s VAL 38 CO -0.04 -0.09 1.35 -2.84 0.00 0.00 0.00 175.10 173.47 1qwn s PRO 39 N 3.58 3.78 -0.41 2.72 0.02 -1.26 -4.96 135.00 138.46 1qwn s PRO 39 Ca 0.63 2.24 -0.16 0.00 0.02 0.00 0.00 61.00 63.72 1qwn s PRO 39 Cb -0.27 -2.66 0.02 0.00 0.02 0.00 0.00 34.50 31.61 1qwn s PRO 39 CO 0.21 -0.68 0.38 1.21 -0.33 0.00 0.00 177.00 177.80 1qwn s ASN 40 N -0.70 6.16 0.18 2.53 2.47 -1.26 -5.05 114.94 119.26 1qwn s ASN 40 Ca 0.60 -0.75 0.08 0.00 0.42 0.00 0.00 52.86 53.21 1qwn s ASN 40 Cb -0.40 -2.20 -0.04 0.00 -1.45 0.00 0.00 41.25 37.16 1qwn s ASN 40 CO 0.51 -0.53 -0.16 0.68 -3.72 0.00 0.00 177.10 173.88 1qwn s VAL 41 N 1.96 1.72 0.22 -5.21 -7.23 -1.26 -5.05 120.40 105.55 1qwn s VAL 41 Ca 0.09 -2.01 -0.01 0.00 -1.81 0.00 0.00 61.98 58.25 1qwn s VAL 41 Cb -0.18 -1.88 -0.02 0.00 0.56 0.00 0.00 36.38 34.86 1qwn s VAL 41 CO 0.12 -0.45 1.56 0.44 -0.31 0.00 0.00 175.10 176.47 1qwn h ASP 42 N 3.00 0.53 -3.23 4.85 3.32 -1.78 -3.42 116.42 119.70 1qwn h ASP 42 Ca -0.40 -0.26 -0.51 0.00 0.02 0.00 0.00 57.03 55.87 1qwn h ASP 42 Cb 1.21 -0.15 -0.37 0.00 0.22 0.00 0.00 39.33 40.24 1qwn h ASP 42 CO 0.55 0.93 -0.79 -0.69 -1.72 0.00 0.00 179.24 177.52 1qwn s VAL 43 N -4.07 0.89 -0.20 -1.35 1.01 -0.45 -4.99 120.40 111.23 1qwn s VAL 43 Ca -0.07 -0.29 0.00 0.00 0.00 0.00 0.00 61.98 61.63 1qwn s VAL 43 Cb 0.12 -0.99 0.02 0.00 0.00 0.00 0.00 36.38 35.53 1qwn s VAL 43 CO 0.82 0.27 -0.15 -1.58 0.00 0.00 0.00 175.10 174.46 1qwn s GLN 44 N 1.75 2.90 0.42 2.72 -0.44 -1.26 -1.30 119.66 124.45 1qwn s GLN 44 Ca 0.04 -0.90 0.09 0.00 -2.50 0.00 0.00 55.36 52.09 1qwn s GLN 44 Cb -0.13 -2.72 0.89 0.00 -1.64 0.00 0.00 33.01 29.41 1qwn s GLN 44 CO -0.08 -0.29 2.02 0.52 0.50 0.00 0.00 175.29 177.97 1qwn h MET 45 N 7.94 0.35 -0.51 1.67 2.86 -1.49 0.19 114.93 125.93 1qwn h MET 45 Ca -0.40 -0.04 -0.11 0.00 -2.06 0.00 0.00 59.70 57.09 1qwn h MET 45 Cb 1.12 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.70 1qwn h MET 45 CO 0.60 0.31 -0.11 1.25 1.06 0.00 0.00 176.91 180.02 1qwn h LEU 46 N 0.35 0.96 -0.37 1.22 5.85 -1.93 -0.63 115.31 120.76 1qwn h LEU 46 Ca 0.09 -0.31 -0.12 0.00 0.84 0.00 0.00 57.88 58.37 1qwn h LEU 46 Cb 0.11 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1qwn h LEU 46 CO -0.01 1.08 -0.24 -0.08 -0.34 0.00 0.00 178.44 178.86 1qwn h GLU 47 N 0.86 0.82 -0.44 1.25 4.22 -1.67 -1.98 114.58 117.64 1qwn h GLU 47 Ca 0.14 -0.38 0.00 0.00 0.08 0.00 0.00 59.36 59.20 1qwn h GLU 47 Cb 0.66 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.88 1qwn h GLU 47 CO 0.05 1.01 0.29 1.25 -2.18 0.00 0.00 179.01 179.43 1qwn h LEU 48 N 0.61 0.50 -1.34 1.64 5.85 -0.87 -2.27 115.31 119.44 1qwn h LEU 48 Ca 0.08 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.83 1qwn h LEU 48 Cb 0.80 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.66 1qwn h LEU 48 CO 0.07 0.36 0.48 1.88 -0.34 0.00 0.00 178.44 180.88 1qwn h TYR 49 N 0.59 0.82 -0.41 1.25 -1.99 -0.91 -0.34 116.97 115.99 1qwn h TYR 49 Ca 0.16 0.02 -0.09 0.00 2.00 0.00 0.00 58.73 60.82 1qwn h TYR 49 Cb -0.07 -0.27 -0.02 0.00 2.00 0.00 0.00 36.73 38.37 1qwn h TYR 49 CO -0.05 0.47 -0.12 0.22 -0.00 0.00 0.00 178.16 178.68 1qwn h ASP 50 N 0.84 0.71 0.55 3.88 -0.00 -0.79 -3.25 116.42 118.36 1qwn h ASP 50 Ca 0.30 -0.21 -0.29 0.00 -0.00 0.00 0.00 57.03 56.83 1qwn h ASP 50 Cb 0.12 -0.19 -0.02 0.00 -0.00 0.00 0.00 39.33 39.23 1qwn h ASP 50 CO -0.09 0.85 -1.51 0.03 -0.00 0.00 0.00 179.24 178.52 1qwn h ARG 51 N 0.66 0.13 -7.06 0.28 3.08 -1.03 -3.48 114.38 106.95 1qwn h ARG 51 Ca 0.11 -0.22 -0.52 0.00 0.07 0.00 0.00 59.98 59.42 1qwn h ARG 51 Cb 0.58 0.08 0.09 0.00 0.08 0.00 0.00 29.97 30.80 1qwn h ARG 51 CO 0.04 0.92 0.48 -1.64 -1.07 0.00 0.00 179.97 178.70 1qwn s MET 52 N -2.63 3.29 0.05 0.04 -1.94 -0.20 -4.97 119.30 112.95 1qwn s MET 52 Ca -0.07 1.81 0.22 0.00 -1.71 0.00 0.00 55.69 55.95 1qwn s MET 52 Cb 0.08 -2.11 -0.19 0.00 2.01 0.00 0.00 34.83 34.62 1qwn s MET 52 CO 0.83 -0.95 0.73 -1.13 -0.01 0.00 0.00 175.02 174.50 1qwn n SER 53 N -1.16 0.37 -2.62 3.03 3.41 -1.26 -4.97 113.62 110.42 1qwn n SER 53 Ca 0.11 0.04 -0.21 0.00 -0.26 0.00 0.00 58.87 58.55 1qwn n SER 53 Cb 0.49 1.34 0.00 0.00 -0.26 0.00 0.00 64.21 65.79 1qwn n SER 53 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1qwn n PHE 54 N -2.32 -1.35 -2.32 7.33 3.01 -1.26 -4.93 117.46 115.61 1qwn n PHE 54 Ca -0.02 0.17 -0.41 0.00 1.01 0.00 0.00 57.45 58.21 1qwn n PHE 54 Cb 0.54 -4.04 -0.03 0.00 -0.01 0.00 0.00 39.48 35.94 1qwn n PHE 54 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1qwn s LYS 55 N -5.28 4.47 -1.09 -1.08 -0.14 -1.26 -4.95 119.74 110.42 1qwn s LYS 55 Ca 0.10 1.95 -0.06 0.00 -1.36 0.00 0.00 55.97 56.59 1qwn s LYS 55 Cb -0.05 -3.20 0.29 0.00 -1.68 0.00 0.00 37.83 33.19 1qwn s LYS 55 CO 0.13 -0.10 1.27 -3.47 -0.76 0.00 0.00 175.35 172.42 1qwn n ASP 56 N 2.19 5.90 -4.87 2.83 2.03 -1.26 -5.01 116.55 118.35 1qwn n ASP 56 Ca 0.04 -3.22 -0.29 0.00 0.52 0.00 0.00 54.79 51.84 1qwn n ASP 56 Cb 0.44 -1.32 -0.05 0.00 -0.72 0.00 0.00 41.12 39.48 1qwn n ASP 56 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 1qwn s ILE 57 N -1.99 5.04 -0.36 5.18 -4.36 -1.26 -5.03 121.20 118.42 1qwn s ILE 57 Ca 0.31 -0.63 -0.28 0.00 -0.26 0.00 0.00 60.65 59.79 1qwn s ILE 57 Cb -0.03 -3.49 -0.01 0.00 1.25 0.00 0.00 42.46 40.18 1qwn s ILE 57 CO 0.00 0.06 1.70 -0.62 0.24 0.00 0.00 174.94 176.33 1qwn s ASP 58 N -2.68 5.99 0.00 4.36 3.68 -1.26 -4.61 116.67 122.14 1qwn s ASP 58 Ca 0.33 1.16 0.19 0.00 2.13 0.00 0.00 52.55 56.35 1qwn s ASP 58 Cb -0.12 -2.53 0.71 0.00 -1.45 0.00 0.00 42.92 39.53 1qwn s ASP 58 CO 0.26 -1.66 1.51 0.61 0.13 0.00 0.00 175.17 176.03 1qwn n GLY 59 N 5.34 0.20 0.00 2.66 0.00 0.16 -5.03 105.19 108.53 1qwn n GLY 59 Ca 0.21 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.85 1qwn n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qwn n GLY 60 N 1.08 0.36 0.36 -0.02 0.00 -1.26 -3.79 105.19 101.92 1qwn n GLY 60 Ca 0.15 -1.79 0.04 0.00 0.00 0.00 0.00 46.02 44.43 1qwn n GLY 60 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1qwn h VAL 61 N 0.00 1.07 -2.50 1.61 -1.51 -1.93 -2.95 116.25 110.03 1qwn h VAL 61 Ca 0.00 -0.32 -0.65 0.00 -1.23 0.00 0.00 66.70 64.50 1qwn h VAL 61 Cb 0.00 0.04 -0.15 0.00 -2.13 0.00 0.00 31.29 29.05 1qwn h VAL 61 CO 0.00 0.17 0.68 0.86 -1.23 0.00 0.00 177.57 178.05 1qwn s TRP 62 N -5.83 2.81 0.43 5.19 -0.00 -1.21 -4.52 118.94 115.82 1qwn s TRP 62 Ca -0.11 -0.84 0.10 0.00 -0.00 0.00 0.00 56.10 55.25 1qwn s TRP 62 Cb 0.19 -4.31 0.95 0.00 -0.00 0.00 0.00 33.47 30.31 1qwn s TRP 62 CO 0.79 -1.61 2.06 0.87 -0.00 0.00 0.00 176.95 179.05 1qwn h LYS 63 N 9.34 0.34 -0.36 5.86 1.79 -1.80 -2.05 116.57 129.70 1qwn h LYS 63 Ca -0.12 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.32 1qwn h LYS 63 Cb 1.05 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.63 1qwn h LYS 63 CO 1.17 0.27 0.00 1.04 -1.08 0.00 0.00 179.45 180.85 1qwn n GLN 64 N -4.45 3.23 0.00 3.15 6.02 -1.26 -0.66 117.38 123.40 1qwn n GLN 64 Ca 0.01 -2.72 0.00 0.00 -0.01 0.00 0.00 57.00 54.28 1qwn n GLN 64 Cb 0.11 -1.78 0.00 0.00 1.02 0.00 0.00 30.24 29.59 1qwn n GLN 64 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qwn n GLY 65 N 0.02 2.75 3.69 1.08 0.00 -0.77 -4.67 105.19 107.30 1qwn n GLY 65 Ca 0.20 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 1qwn n GLY 65 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1qwn s TRP 66 N 3.52 0.21 -0.59 1.61 -2.14 -1.26 -4.21 118.94 116.08 1qwn s TRP 66 Ca 0.00 -0.63 -0.28 0.00 2.66 0.00 0.00 56.10 57.86 1qwn s TRP 66 Cb 0.00 0.40 0.02 0.00 -3.10 0.00 0.00 33.47 30.79 1qwn s TRP 66 CO 0.00 -1.14 1.39 -0.80 -2.66 0.00 0.00 176.95 173.74 1qwn s ASN 67 N -3.01 6.13 0.25 -2.66 0.01 -1.25 -4.70 114.94 109.72 1qwn s ASN 67 Ca 0.19 0.18 -0.30 0.00 -0.71 0.00 0.00 52.86 52.22 1qwn s ASN 67 Cb -0.03 -2.55 -0.09 0.00 0.41 0.00 0.00 41.25 38.99 1qwn s ASN 67 CO 0.09 -1.73 1.17 -0.63 -1.51 0.00 0.00 177.10 174.49 1qwn s ILE 68 N 6.04 3.40 0.09 0.60 1.01 -1.26 -5.03 121.20 126.04 1qwn s ILE 68 Ca 0.50 1.30 0.10 0.00 0.00 0.00 0.00 60.65 62.55 1qwn s ILE 68 Cb -0.10 -3.83 -0.03 0.00 0.01 0.00 0.00 42.46 38.50 1qwn s ILE 68 CO 0.24 0.27 -0.26 -0.54 0.00 0.00 0.00 174.94 174.65 1qwn s LYS 69 N -1.01 1.51 0.04 2.79 1.02 -1.26 -4.99 119.74 117.84 1qwn s LYS 69 Ca 0.48 -1.21 -0.02 0.00 0.02 0.00 0.00 55.97 55.24 1qwn s LYS 69 Cb -0.33 -1.84 -0.03 0.00 -0.52 0.00 0.00 37.83 35.11 1qwn s LYS 69 CO 0.41 0.45 -0.00 1.52 -0.92 0.00 0.00 175.35 176.81 1qwn s TYR 70 N -0.96 0.39 -0.39 3.18 -0.85 -1.26 -4.99 117.35 112.47 1qwn s TYR 70 Ca 0.12 -0.83 -0.23 0.00 -0.52 0.00 0.00 57.07 55.61 1qwn s TYR 70 Cb -0.10 -0.29 0.01 0.00 0.38 0.00 0.00 41.96 41.97 1qwn s TYR 70 CO 0.04 -0.34 0.77 0.34 -1.52 0.00 0.00 175.55 174.84 1qwn s ASP 71 N -2.44 6.50 0.63 -0.18 -1.08 -1.26 -4.93 116.67 113.91 1qwn s ASP 71 Ca -0.00 0.20 0.33 0.00 -0.52 0.00 0.00 52.55 52.56 1qwn s ASP 71 Cb 0.02 -2.39 1.84 0.00 -1.46 0.00 0.00 42.92 40.93 1qwn s ASP 71 CO -0.07 -0.77 2.12 1.55 0.52 0.00 0.00 175.17 178.52 1qwn h PRO 72 N 8.62 0.00 -0.00 4.34 0.13 -1.99 -0.24 132.00 142.86 1qwn h PRO 72 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1qwn h PRO 72 Cb 1.09 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1qwn h PRO 72 CO 0.92 0.00 -0.00 1.28 -0.23 0.00 0.00 178.00 179.97 1qwn n LEU 73 N -3.41 0.02 -0.23 1.56 4.77 -1.26 -3.88 117.00 114.57 1qwn n LEU 73 Ca -0.00 0.11 -0.04 0.00 -0.03 0.00 0.00 56.01 56.04 1qwn n LEU 73 Cb 0.28 -0.12 0.13 0.00 -2.33 0.00 0.00 43.42 41.38 1qwn n LEU 73 CO 0.22 0.00 1.05 0.50 -1.33 0.00 0.00 177.39 177.83 1qwn h LYS 74 N 0.03 1.06 -6.34 3.23 3.64 -1.45 -3.41 116.57 113.33 1qwn h LYS 74 Ca 0.00 -0.19 -0.53 0.00 -1.27 0.00 0.00 60.65 58.66 1qwn h LYS 74 Cb 0.13 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 1qwn h LYS 74 CO 0.00 0.86 -0.23 0.71 -2.27 0.00 0.00 179.45 178.52 1qwn s TYR 75 N -5.47 3.48 0.26 1.91 1.51 -1.25 -4.93 117.35 112.85 1qwn s TYR 75 Ca -0.11 0.53 -0.14 0.00 -1.01 0.00 0.00 57.07 56.34 1qwn s TYR 75 Cb 0.16 -2.01 0.05 0.00 -0.11 0.00 0.00 41.96 40.05 1qwn s TYR 75 CO 0.82 0.29 0.72 0.27 -1.11 0.00 0.00 175.55 176.55 1qwn n ASN 76 N -0.63 -1.71 0.24 2.29 0.23 -0.41 -4.95 115.26 110.32 1qwn n ASN 76 Ca -0.03 -2.09 0.17 0.00 -0.53 0.00 0.00 54.58 52.10 1qwn n ASN 76 Cb 0.53 2.83 0.88 0.00 -2.08 0.00 0.00 39.78 41.94 1qwn n ASN 76 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1qwn h ALA 77 N 2.00 1.66 -0.01 -2.53 0.00 -1.94 -0.44 119.26 118.00 1qwn h ALA 77 Ca -0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1qwn h ALA 77 Cb 1.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1qwn h ALA 77 CO 0.33 -0.21 -0.50 0.72 0.00 0.00 0.00 179.25 179.59 1qwn n HIS 78 N -3.71 0.00 -3.35 0.00 8.25 -1.26 -4.65 115.22 110.50 1qwn n HIS 78 Ca 0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.25 1qwn n HIS 78 Cb 0.25 -0.06 -0.09 0.00 1.12 0.00 0.00 29.99 31.22 1qwn n HIS 78 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1qwn s HIS 79 N -2.62 0.14 0.31 4.41 5.04 -0.18 -5.14 115.29 117.25 1qwn s HIS 79 Ca 0.18 -1.32 -0.03 0.00 -1.54 0.00 0.00 55.06 52.35 1qwn s HIS 79 Cb 0.18 -0.58 -0.04 0.00 0.04 0.00 0.00 32.58 32.18 1qwn s HIS 79 CO 0.62 -0.93 0.55 0.15 -2.34 0.00 0.00 174.74 172.79 1qwn s LYS 80 N 1.01 3.57 -0.24 2.88 1.02 -1.20 -1.29 119.74 125.49 1qwn s LYS 80 Ca 0.21 -0.12 -0.22 0.00 0.02 0.00 0.00 55.97 55.86 1qwn s LYS 80 Cb -0.12 -2.66 -0.01 0.00 -0.52 0.00 0.00 37.83 34.52 1qwn s LYS 80 CO -0.05 0.19 0.72 -1.17 -0.92 0.00 0.00 175.35 174.12 1qwn s LEU 81 N -3.82 4.08 -0.25 3.17 2.96 -0.28 -4.87 118.68 119.67 1qwn s LEU 81 Ca 0.42 0.87 -0.14 0.00 -0.22 0.00 0.00 54.13 55.07 1qwn s LEU 81 Cb -0.10 -3.01 -0.04 0.00 0.50 0.00 0.00 46.19 43.54 1qwn s LEU 81 CO 0.32 -0.42 0.31 -0.75 -1.32 0.00 0.00 176.35 174.50 1qwn s LYS 82 N 2.55 4.06 -0.15 1.98 2.47 0.15 -1.31 119.74 129.48 1qwn s LYS 82 Ca 0.30 -0.03 0.00 0.00 -1.56 0.00 0.00 55.97 54.69 1qwn s LYS 82 Cb -0.15 -3.60 -0.00 0.00 -1.46 0.00 0.00 37.83 32.61 1qwn s LYS 82 CO 0.08 -0.13 -0.15 0.08 0.16 0.00 0.00 175.35 175.39 1qwn s VAL 83 N 1.63 2.68 -0.31 4.02 1.01 -0.22 -0.19 120.40 129.03 1qwn s VAL 83 Ca 0.13 -0.77 -0.06 0.00 0.00 0.00 0.00 61.98 61.29 1qwn s VAL 83 Cb -0.15 -2.13 0.02 0.00 0.00 0.00 0.00 36.38 34.12 1qwn s VAL 83 CO 0.08 0.52 0.08 -0.36 0.00 0.00 0.00 175.10 175.42 1qwn s PHE 84 N 0.78 3.19 -0.31 5.22 0.40 -0.16 -1.33 117.98 125.77 1qwn s PHE 84 Ca -0.06 -1.24 -0.18 0.00 -0.60 0.00 0.00 56.93 54.85 1qwn s PHE 84 Cb -0.15 -2.25 -0.01 0.00 0.51 0.00 0.00 43.02 41.11 1qwn s PHE 84 CO 0.01 -0.66 0.54 0.08 0.70 0.00 0.00 175.22 175.88 1qwn s VAL 85 N 1.44 5.01 -0.41 -0.44 1.01 0.02 -0.67 120.40 126.37 1qwn s VAL 85 Ca 0.00 0.61 -0.04 0.00 0.00 0.00 0.00 61.98 62.55 1qwn s VAL 85 Cb -0.18 -3.93 0.11 0.00 0.00 0.00 0.00 36.38 32.38 1qwn s VAL 85 CO 0.02 -0.11 0.22 -0.69 0.00 0.00 0.00 175.10 174.54 1qwn s VAL 86 N 2.42 3.45 0.31 2.92 1.01 0.10 -0.64 120.40 129.96 1qwn s VAL 86 Ca 0.21 -1.95 -0.29 0.00 0.00 0.00 0.00 61.98 59.95 1qwn s VAL 86 Cb -0.15 -3.31 -0.10 0.00 0.00 0.00 0.00 36.38 32.81 1qwn s VAL 86 CO 0.12 -0.66 1.26 -2.84 0.00 0.00 0.00 175.10 172.98 1qwn s PRO 87 N 1.19 4.42 0.20 2.72 0.02 -1.26 -0.68 135.00 141.61 1qwn s PRO 87 Ca 0.07 2.12 -0.15 0.00 0.02 0.00 0.00 61.00 63.06 1qwn s PRO 87 Cb -0.23 -3.10 0.01 0.00 0.02 0.00 0.00 34.50 31.20 1qwn s PRO 87 CO -0.03 -0.11 0.47 -3.38 -0.33 0.00 0.00 177.00 173.62 1qwn s HIS 88 N -1.06 0.06 -0.15 6.54 -3.43 -0.58 -1.83 115.29 114.84 1qwn s HIS 88 Ca 0.48 -0.42 -0.04 0.00 -0.80 0.00 0.00 55.06 54.28 1qwn s HIS 88 Cb -0.38 0.27 0.07 0.00 -1.43 0.00 0.00 32.58 31.11 1qwn s HIS 88 CO 0.49 -0.89 0.19 0.45 -2.00 0.00 0.00 174.74 172.98 1qwn s SER 89 N -2.92 1.20 -0.40 7.38 0.15 -1.26 -3.85 113.70 114.00 1qwn s SER 89 Ca 0.13 -0.02 -0.27 0.00 0.70 0.00 0.00 55.95 56.49 1qwn s SER 89 Cb -0.00 0.30 0.02 0.00 -1.71 0.00 0.00 66.02 64.63 1qwn s SER 89 CO -0.00 -0.30 1.01 -2.28 1.20 0.00 0.00 173.24 172.87 1qwn s HIS 90 N 2.30 3.00 -0.23 3.44 2.46 -0.47 -4.75 115.29 121.04 1qwn s HIS 90 Ca 0.05 0.79 -0.04 0.00 0.47 0.00 0.00 55.06 56.33 1qwn s HIS 90 Cb -0.14 -3.91 0.00 0.00 -0.13 0.00 0.00 32.58 28.40 1qwn s HIS 90 CO -0.09 -0.97 -0.03 -0.80 -2.47 0.00 0.00 174.74 170.37 1qwn s ASN 91 N 2.04 4.38 -0.22 9.88 0.01 -1.26 -0.45 114.94 129.32 1qwn s ASN 91 Ca 0.42 -0.53 -0.21 0.00 -0.71 0.00 0.00 52.86 51.83 1qwn s ASN 91 Cb -0.10 -1.74 -0.02 0.00 0.41 0.00 0.00 41.25 39.80 1qwn s ASN 91 CO 0.22 -0.06 0.65 -1.81 -1.51 0.00 0.00 177.10 174.60 1qwn s ASP 92 N 1.45 6.67 -1.34 -1.22 1.01 -1.26 -4.89 116.67 117.09 1qwn s ASP 92 Ca 0.04 0.81 -0.15 0.00 0.71 0.00 0.00 52.55 53.97 1qwn s ASP 92 Cb -0.15 -2.35 -0.02 0.00 1.01 0.00 0.00 42.92 41.41 1qwn s ASP 92 CO -0.03 -0.33 2.27 -2.65 0.21 0.00 0.00 175.17 174.64 1qwn n PRO 93 N 5.38 2.70 0.00 8.23 -0.02 -1.26 -4.58 135.00 145.45 1qwn n PRO 93 Ca -0.00 -2.36 0.00 0.00 -2.02 0.00 0.00 63.50 59.12 1qwn n PRO 93 Cb 0.49 -3.12 0.00 0.00 -0.02 0.00 0.00 33.50 30.85 1qwn n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qwn n GLY 94 N 4.09 1.49 0.00 -1.23 0.00 -1.26 -4.55 105.19 103.73 1qwn n GLY 94 Ca 0.55 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1qwn n GLY 94 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 1qwn n TRP 95 N 2.30 0.00 0.25 1.61 -0.00 -1.26 -4.66 117.44 115.67 1qwn n TRP 95 Ca 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 57.50 57.61 1qwn n TRP 95 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 31.31 31.28 1qwn n TRP 95 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 177.69 176.80 1qwn n ILE 96 N -0.41 0.31 -4.40 5.87 2.08 -1.26 -1.28 119.36 120.27 1qwn n ILE 96 Ca 0.00 -0.43 -0.20 0.00 0.56 0.00 0.00 62.75 62.68 1qwn n ILE 96 Cb 0.00 -0.06 -0.10 0.00 -0.75 0.00 0.00 39.64 38.73 1qwn n ILE 96 CO 0.00 0.00 0.00 -1.10 0.56 0.00 0.00 176.55 176.01 1qwn s GLN 97 N -3.34 1.47 0.85 0.38 -1.52 -1.26 -4.85 119.66 111.39 1qwn s GLN 97 Ca -0.01 -1.69 -0.12 0.00 -1.95 0.00 0.00 55.36 51.59 1qwn s GLN 97 Cb 0.12 -1.22 0.10 0.00 -0.22 0.00 0.00 33.01 31.80 1qwn s GLN 97 CO 0.82 0.14 1.11 0.95 -0.25 0.00 0.00 175.29 178.06 1qwn s THR 98 N -2.93 2.69 0.18 -0.19 -4.23 -1.26 -4.15 115.64 105.75 1qwn s THR 98 Ca 0.26 0.22 -0.18 0.00 -1.18 0.00 0.00 61.69 60.82 1qwn s THR 98 Cb 0.01 -2.92 0.13 0.00 1.34 0.00 0.00 72.50 71.05 1qwn s THR 98 CO 0.10 -0.29 1.63 0.15 -0.54 0.00 0.00 174.62 175.67 1qwn h PHE 99 N -1.30 -0.45 -0.32 3.99 3.57 -1.89 -0.37 116.94 120.17 1qwn h PHE 99 Ca -0.49 0.05 -0.12 0.00 3.53 0.00 0.00 57.97 60.94 1qwn h PHE 99 Cb 1.29 0.27 -0.01 0.00 2.79 0.00 0.00 35.95 40.29 1qwn h PHE 99 CO 0.41 -0.27 -0.29 1.49 -2.23 0.00 0.00 178.31 177.41 1qwn h GLU 100 N -0.09 0.66 -0.18 1.11 4.57 -1.97 -0.49 114.58 118.20 1qwn h GLU 100 Ca 0.22 -0.29 -0.01 0.00 -1.18 0.00 0.00 59.36 58.10 1qwn h GLU 100 Cb 0.42 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.99 1qwn h GLU 100 CO -0.51 0.87 0.07 0.93 -1.18 0.00 0.00 179.01 179.20 1qwn h GLU 101 N 0.57 0.26 -0.73 1.92 5.08 -1.83 -1.40 114.58 118.44 1qwn h GLU 101 Ca 0.07 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.34 1qwn h GLU 101 Cb 0.79 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 1qwn h GLU 101 CO 0.06 0.33 0.29 1.88 -1.00 0.00 0.00 179.01 180.58 1qwn h TYR 102 N 0.14 1.10 -0.53 4.33 0.05 -0.96 -0.49 116.97 120.60 1qwn h TYR 102 Ca 0.06 -0.07 0.02 0.00 0.05 0.00 0.00 58.73 58.78 1qwn h TYR 102 Cb 0.16 -0.33 -0.03 0.00 1.01 0.00 0.00 36.73 37.54 1qwn h TYR 102 CO -0.02 0.83 0.34 -0.92 -1.05 0.00 0.00 178.16 177.34 1qwn h TYR 103 N 1.06 0.63 -0.17 4.88 3.20 -0.79 0.21 116.97 125.99 1qwn h TYR 103 Ca 0.25 0.02 -0.19 0.00 3.14 0.00 0.00 58.73 61.94 1qwn h TYR 103 Cb 0.20 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.26 1qwn h TYR 103 CO 0.02 0.38 -0.66 1.96 -1.64 0.00 0.00 178.16 178.22 1qwn h GLN 104 N 0.67 0.66 0.00 1.82 1.08 -0.99 -0.54 115.11 117.81 1qwn h GLN 104 Ca 0.21 -0.47 -0.20 0.00 -1.45 0.00 0.00 58.65 56.73 1qwn h GLN 104 Cb -0.02 0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.45 1qwn h GLN 104 CO -0.07 1.09 -1.34 0.45 -0.95 0.00 0.00 178.83 178.01 1qwn h HIS 105 N 0.48 0.00 0.00 2.96 3.86 -0.95 -3.45 115.15 118.05 1qwn h HIS 105 Ca -0.02 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.19 1qwn h HIS 105 Cb 1.24 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.71 1qwn h HIS 105 CO 0.06 0.75 -0.04 -0.25 0.86 0.00 0.00 177.93 179.32 1qwn n ASP 106 N -3.04 0.25 -0.13 2.45 8.00 0.61 -4.87 116.55 119.82 1qwn n ASP 106 Ca -0.09 0.34 -0.05 0.00 0.71 0.00 0.00 54.79 55.70 1qwn n ASP 106 Cb 0.91 0.14 0.15 0.00 -0.02 0.00 0.00 41.12 42.29 1qwn n ASP 106 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 1qwn h THR 107 N 0.00 1.24 -0.06 -3.53 2.02 -1.16 -1.13 112.91 110.31 1qwn h THR 107 Ca 0.00 -0.99 -0.05 0.00 0.77 0.00 0.00 66.41 66.14 1qwn h THR 107 Cb 0.04 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.26 1qwn h THR 107 CO 0.00 0.35 -0.21 0.07 0.37 0.00 0.00 175.52 176.11 1qwn h LYS 108 N 0.79 0.09 -0.13 6.66 2.10 -1.32 -0.94 116.57 123.83 1qwn h LYS 108 Ca 0.16 -0.02 -0.23 0.00 -2.00 0.00 0.00 60.65 58.55 1qwn h LYS 108 Cb 0.44 -0.01 0.01 0.00 -0.90 0.00 0.00 32.23 31.77 1qwn h LYS 108 CO 0.02 0.30 -0.83 0.45 -2.00 0.00 0.00 179.45 177.38 1qwn h HIS 109 N 0.08 1.08 -0.16 0.07 3.86 -1.60 -1.41 115.15 117.07 1qwn h HIS 109 Ca 0.02 -0.50 0.01 0.00 -1.16 0.00 0.00 60.37 58.73 1qwn h HIS 109 Cb 0.42 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 1qwn h HIS 109 CO 0.00 1.33 0.08 0.82 0.86 0.00 0.00 177.93 181.03 1qwn h ILE 110 N 0.52 1.01 -0.37 2.45 2.04 -0.74 0.19 117.51 122.60 1qwn h ILE 110 Ca -0.07 -0.06 -0.14 0.00 1.00 0.00 0.00 64.86 65.60 1qwn h ILE 110 Cb 1.47 0.81 -0.01 0.00 -0.74 0.00 0.00 36.82 38.35 1qwn h ILE 110 CO 0.17 0.03 -0.31 -0.07 0.00 0.00 0.00 178.15 177.97 1qwn h LEU 111 N 0.18 0.85 -0.51 1.44 3.38 -1.22 0.13 115.31 119.56 1qwn h LEU 111 Ca 0.06 -0.35 -0.03 0.00 0.09 0.00 0.00 57.88 57.65 1qwn h LEU 111 Cb 0.00 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 1qwn h LEU 111 CO -0.04 1.09 0.20 0.28 0.09 0.00 0.00 178.44 180.06 1qwn h SER 112 N 0.69 0.71 0.91 -0.43 0.02 -1.13 -1.23 113.55 113.09 1qwn h SER 112 Ca 0.08 -0.17 -0.13 0.00 -0.84 0.00 0.00 61.79 60.73 1qwn h SER 112 Cb 0.85 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.19 1qwn h SER 112 CO 0.07 0.69 -0.60 0.78 -1.14 0.00 0.00 176.83 176.63 1qwn h ASN 113 N 0.69 0.00 -0.47 3.07 2.35 -0.88 -2.26 115.58 118.08 1qwn h ASN 113 Ca 0.17 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.83 1qwn h ASN 113 Cb 0.21 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 1qwn h ASN 113 CO -0.01 0.60 -0.05 0.00 -1.65 0.00 0.00 177.43 176.32 1qwn h ALA 114 N 1.40 0.64 -0.24 -0.83 0.00 -0.53 0.70 119.26 120.39 1qwn h ALA 114 Ca -0.01 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.60 1qwn h ALA 114 Cb 1.22 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1qwn h ALA 114 CO 0.08 0.49 0.15 1.25 0.00 0.00 0.00 179.25 181.22 1qwn h LEU 115 N 0.71 0.25 0.03 0.00 5.85 -1.06 -0.26 115.31 120.83 1qwn h LEU 115 Ca 0.13 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.84 1qwn h LEU 115 Cb 0.58 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.55 1qwn h LEU 115 CO 0.03 0.19 -0.01 -0.09 -0.34 0.00 0.00 178.44 178.22 1qwn h ARG 116 N 0.31 -0.03 -0.62 1.25 2.43 -1.24 -1.13 114.38 115.34 1qwn h ARG 116 Ca 0.09 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.17 1qwn h ARG 116 Cb -0.02 0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 1qwn h ARG 116 CO -0.03 0.13 0.02 1.25 -1.51 0.00 0.00 179.97 179.83 1qwn h HIS 117 N -0.19 1.18 -0.35 2.20 2.76 -0.75 -1.04 115.15 118.96 1qwn h HIS 117 Ca -0.00 -0.20 -0.11 0.00 -2.20 0.00 0.00 60.37 57.86 1qwn h HIS 117 Cb 0.18 -0.31 -0.01 0.00 1.55 0.00 0.00 27.41 28.82 1qwn h HIS 117 CO -0.02 1.03 -0.21 -0.07 -1.30 0.00 0.00 177.93 177.36 1qwn h LEU 118 N 1.00 0.79 -0.60 0.26 3.38 -1.08 -1.48 115.31 117.57 1qwn h LEU 118 Ca 0.18 -0.42 0.09 0.00 0.09 0.00 0.00 57.88 57.82 1qwn h LEU 118 Cb 0.54 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 41.00 1qwn h LEU 118 CO 0.03 1.04 0.23 -0.74 0.09 0.00 0.00 178.44 179.09 1qwn h HIS 119 N 0.54 0.41 0.00 1.13 2.76 -0.98 -2.90 115.15 116.11 1qwn h HIS 119 Ca 0.07 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 1qwn h HIS 119 Cb 0.76 -0.09 0.00 0.00 1.55 0.00 0.00 27.41 29.63 1qwn h HIS 119 CO 0.06 0.11 -0.17 -0.25 -1.30 0.00 0.00 177.93 176.39 1qwn n ASP 120 N -4.98 0.51 -3.69 3.26 8.00 -0.41 -4.49 116.55 114.75 1qwn n ASP 120 Ca 0.08 0.38 -0.29 0.00 0.71 0.00 0.00 54.79 55.67 1qwn n ASP 120 Cb 0.26 -0.42 -0.13 0.00 -0.02 0.00 0.00 41.12 40.82 1qwn n ASP 120 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1qwn s ASN 121 N -3.85 3.54 0.58 -2.24 0.01 -0.57 -5.02 114.94 107.39 1qwn s ASN 121 Ca 0.11 -2.76 0.28 0.00 -0.71 0.00 0.00 52.86 49.78 1qwn s ASN 121 Cb 0.15 -1.01 1.52 0.00 0.41 0.00 0.00 41.25 42.32 1qwn s ASN 121 CO 0.61 -0.24 1.97 -0.65 -1.51 0.00 0.00 177.10 177.28 1qwn h PRO 122 N 6.53 0.00 -0.00 -0.60 0.11 -1.79 -1.43 132.00 134.81 1qwn h PRO 122 Ca 0.03 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.14 1qwn h PRO 122 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1qwn h PRO 122 CO 0.49 0.00 -0.39 0.39 -0.21 0.00 0.00 178.00 178.28 1qwn n GLU 123 N -3.84 0.48 -2.61 1.05 -0.58 -1.26 -4.90 120.64 108.98 1qwn n GLU 123 Ca 0.07 -0.29 -0.33 0.00 -0.42 0.00 0.00 57.16 56.18 1qwn n GLU 123 Cb 0.56 -1.49 -0.04 0.00 -0.57 0.00 0.00 31.44 29.89 1qwn n GLU 123 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 1qwn s MET 124 N -2.72 3.93 0.18 3.49 1.75 -0.54 -4.69 119.30 120.70 1qwn s MET 124 Ca 0.18 1.25 0.02 0.00 -1.25 0.00 0.00 55.69 55.90 1qwn s MET 124 Cb 0.18 -2.12 -0.05 0.00 2.84 0.00 0.00 34.83 35.68 1qwn s MET 124 CO 0.61 -0.30 -0.01 0.15 -0.65 0.00 0.00 175.02 174.81 1qwn s LYS 125 N -3.30 1.15 -0.26 4.11 -0.14 -1.26 -4.79 119.74 115.25 1qwn s LYS 125 Ca 0.65 -1.55 -0.26 0.00 -1.36 0.00 0.00 55.97 53.45 1qwn s LYS 125 Cb -0.13 -0.38 0.09 0.00 -1.68 0.00 0.00 37.83 35.73 1qwn s LYS 125 CO 0.19 -0.10 0.83 0.12 -0.76 0.00 0.00 175.35 175.63 1qwn s PHE 126 N -3.57 -0.66 0.11 3.18 5.36 -0.29 -4.38 117.98 117.72 1qwn s PHE 126 Ca 0.24 1.59 0.07 0.00 -0.96 0.00 0.00 56.93 57.87 1qwn s PHE 126 Cb 0.06 0.31 -0.04 0.00 -0.34 0.00 0.00 43.02 43.01 1qwn s PHE 126 CO 0.04 -0.34 -0.11 0.96 -1.46 0.00 0.00 175.22 174.31 1qwn s ILE 127 N 0.19 3.27 -0.02 3.12 -4.36 -0.76 -1.33 121.20 121.31 1qwn s ILE 127 Ca 0.00 -1.33 0.01 0.00 -0.26 0.00 0.00 60.65 59.08 1qwn s ILE 127 Cb -0.05 -2.53 0.02 0.00 1.25 0.00 0.00 42.46 41.15 1qwn s ILE 127 CO -0.01 0.10 -0.02 0.86 0.24 0.00 0.00 174.94 176.11 1qwn s TRP 128 N -1.22 0.44 -0.17 1.37 -0.11 -0.28 -4.37 118.94 114.60 1qwn s TRP 128 Ca 0.21 -0.07 0.02 0.00 1.22 0.00 0.00 56.10 57.48 1qwn s TRP 128 Cb -0.11 -0.42 -0.12 0.00 -1.50 0.00 0.00 33.47 31.32 1qwn s TRP 128 CO 0.13 -0.11 -0.14 0.00 -4.62 0.00 0.00 176.95 172.21 1qwn n ALA 129 N 3.75 1.63 -2.94 5.86 0.00 -1.26 -1.00 120.51 126.55 1qwn n ALA 129 Ca -0.22 -0.75 -0.44 0.00 0.00 0.00 0.00 53.44 52.03 1qwn n ALA 129 Cb 0.53 0.09 -0.05 0.00 0.00 0.00 0.00 19.45 20.02 1qwn n ALA 129 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1qwn s GLU 130 N -2.35 3.09 0.45 0.00 8.01 -1.26 -3.95 118.70 122.69 1qwn s GLU 130 Ca -0.23 -1.05 0.25 0.00 0.01 0.00 0.00 54.97 53.96 1qwn s GLU 130 Cb 0.06 -4.20 0.87 0.00 -4.31 0.00 0.00 34.13 26.55 1qwn s GLU 130 CO 0.41 -1.52 1.80 0.82 0.01 0.00 0.00 175.26 176.78 1qwn h ILE 131 N 5.93 0.41 -0.62 -1.63 1.08 -1.19 -2.66 117.51 118.83 1qwn h ILE 131 Ca -0.29 -1.09 0.09 0.00 -0.39 0.00 0.00 64.86 63.18 1qwn h ILE 131 Cb 1.08 1.80 -0.07 0.00 -3.07 0.00 0.00 36.82 36.57 1qwn h ILE 131 CO 1.09 0.18 0.26 0.77 -0.69 0.00 0.00 178.15 179.75 1qwn h SER 132 N 0.00 0.30 -0.23 1.72 4.64 -1.38 0.83 113.55 119.43 1qwn h SER 132 Ca -0.00 0.07 -0.13 0.00 -0.47 0.00 0.00 61.79 61.25 1qwn h SER 132 Cb 0.78 0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 62.90 1qwn h SER 132 CO 0.02 0.18 -0.38 1.88 -0.87 0.00 0.00 176.83 177.67 1qwn h TYR 133 N 0.47 0.82 -0.59 4.77 0.99 -1.76 -2.77 116.97 118.90 1qwn h TYR 133 Ca 0.30 -0.28 -0.05 0.00 2.00 0.00 0.00 58.73 60.70 1qwn h TYR 133 Cb 0.34 -0.16 -0.02 0.00 1.00 0.00 0.00 36.73 37.89 1qwn h TYR 133 CO -0.14 1.04 0.17 0.35 -0.00 0.00 0.00 178.16 179.58 1qwn h PHE 134 N 0.37 0.95 -0.61 4.88 3.57 -1.07 -1.32 116.94 123.71 1qwn h PHE 134 Ca 0.02 -0.10 -0.03 0.00 3.53 0.00 0.00 57.97 61.38 1qwn h PHE 134 Cb 0.97 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.41 1qwn h PHE 134 CO 0.08 0.80 0.25 0.00 -2.23 0.00 0.00 178.31 177.21 1qwn h ALA 135 N 1.05 0.80 -0.97 2.41 0.00 -0.91 0.81 119.26 122.44 1qwn h ALA 135 Ca 0.19 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.95 1qwn h ALA 135 Cb 0.30 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.80 1qwn h ALA 135 CO -0.00 0.41 0.64 -0.09 0.00 0.00 0.00 179.25 180.20 1qwn h ARG 136 N 0.85 1.24 0.03 0.00 9.65 -1.18 -1.86 114.38 123.11 1qwn h ARG 136 Ca 0.20 -0.07 -0.00 0.00 -1.10 0.00 0.00 59.98 59.01 1qwn h ARG 136 Cb 0.20 -0.28 0.00 0.00 -1.39 0.00 0.00 29.97 28.50 1qwn h ARG 136 CO -0.02 0.82 -0.01 0.35 2.80 0.00 0.00 179.97 183.91 1qwn h PHE 137 N 1.28 -0.03 -0.84 2.20 3.57 -0.87 -3.30 116.94 118.95 1qwn h PHE 137 Ca 0.37 -0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.87 1qwn h PHE 137 Cb -0.09 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 38.62 1qwn h PHE 137 CO -0.00 0.63 0.55 -0.92 -2.23 0.00 0.00 178.31 176.34 1qwn h TYR 138 N -0.75 1.06 0.00 0.41 3.20 -0.77 -1.86 116.97 118.27 1qwn h TYR 138 Ca -0.00 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.85 1qwn h TYR 138 Cb 0.67 -0.36 -0.01 0.00 1.54 0.00 0.00 36.73 38.58 1qwn h TYR 138 CO 0.16 0.67 -0.20 0.45 -1.64 0.00 0.00 178.16 177.60 1qwn h HIS 139 N 1.14 0.00 -0.00 -3.82 3.86 -1.47 -2.20 115.15 112.66 1qwn h HIS 139 Ca 0.31 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.52 1qwn h HIS 139 Cb -0.12 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.35 1qwn h HIS 139 CO -0.01 0.20 -0.13 -0.25 0.86 0.00 0.00 177.93 178.60 1qwn n ASP 140 N -3.95 0.20 -4.78 2.45 9.92 -0.72 -4.89 116.55 114.77 1qwn n ASP 140 Ca -0.02 0.05 -0.37 0.00 -0.53 0.00 0.00 54.79 53.92 1qwn n ASP 140 Cb 0.29 -0.23 -0.05 0.00 -0.64 0.00 0.00 41.12 40.49 1qwn n ASP 140 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1qwn s LEU 141 N -2.84 4.23 0.81 0.64 1.43 -0.83 -5.04 118.68 117.07 1qwn s LEU 141 Ca 0.18 1.97 -0.11 0.00 -1.03 0.00 0.00 54.13 55.15 1qwn s LEU 141 Cb 0.19 -4.11 0.08 0.00 0.03 0.00 0.00 46.19 42.38 1qwn s LEU 141 CO 0.55 -0.32 1.09 -0.83 0.23 0.00 0.00 176.35 177.07 1qwn s GLY 142 N -1.56 1.66 0.29 -3.19 0.00 -1.26 -4.75 107.32 98.51 1qwn s GLY 142 Ca 0.55 0.21 -0.01 0.00 0.00 0.00 0.00 44.72 45.47 1qwn s GLY 142 CO 0.27 0.60 1.92 -2.09 0.00 0.00 0.00 173.10 173.80 1qwn h GLU 143 N -1.29 1.06 -0.37 2.90 4.57 -1.97 -0.26 114.58 119.21 1qwn h GLU 143 Ca -0.45 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 1qwn h GLU 143 Cb 1.25 -0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 29.58 1qwn h GLU 143 CO 0.51 0.70 0.24 -0.97 -1.18 0.00 0.00 179.01 178.32 1qwn h ASN 144 N 1.09 0.43 0.11 1.04 -0.73 -2.00 -1.48 115.58 114.04 1qwn h ASN 144 Ca 0.37 -0.02 -0.14 0.00 1.87 0.00 0.00 56.30 58.39 1qwn h ASN 144 Cb 0.10 -0.11 -0.01 0.00 0.27 0.00 0.00 38.32 38.57 1qwn h ASN 144 CO -0.12 0.32 -0.49 0.11 -0.37 0.00 0.00 177.43 176.88 1qwn h LYS 145 N 0.50 0.43 -0.62 6.67 1.79 -1.80 -1.71 116.57 121.83 1qwn h LYS 145 Ca 0.14 -0.25 0.04 0.00 -2.18 0.00 0.00 60.65 58.40 1qwn h LYS 145 Cb -0.05 0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.58 1qwn h LYS 145 CO -0.03 0.82 0.36 0.87 -1.08 0.00 0.00 179.45 180.40 1qwn h LYS 146 N 0.34 0.68 -0.58 3.15 1.57 -0.69 0.38 116.57 121.43 1qwn h LYS 146 Ca 0.02 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 1qwn h LYS 146 Cb 0.98 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 1qwn h LYS 146 CO 0.09 0.45 0.04 -0.07 -0.57 0.00 0.00 179.45 179.39 1qwn h LEU 147 N 0.70 0.96 -0.84 2.94 3.38 -1.00 -0.60 115.31 120.85 1qwn h LEU 147 Ca 0.26 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1qwn h LEU 147 Cb 0.08 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 1qwn h LEU 147 CO -0.13 1.01 0.49 1.56 0.09 0.00 0.00 178.44 181.46 1qwn h GLN 148 N 0.88 1.15 -0.34 1.13 4.20 -0.86 -1.69 115.11 119.59 1qwn h GLN 148 Ca 0.17 -0.12 -0.04 0.00 0.06 0.00 0.00 58.65 58.73 1qwn h GLN 148 Cb 0.49 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 1qwn h GLN 148 CO 0.02 0.83 0.08 1.98 -0.67 0.00 0.00 178.83 181.06 1qwn h MET 149 N 1.16 0.55 -0.46 1.46 4.05 -0.55 -2.16 114.93 118.98 1qwn h MET 149 Ca 0.30 -0.14 -0.01 0.00 -0.28 0.00 0.00 59.70 59.57 1qwn h MET 149 Cb -0.01 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 30.69 1qwn h MET 149 CO -0.05 0.61 0.22 0.87 0.23 0.00 0.00 176.91 178.79 1qwn h LYS 150 N 0.40 0.64 -0.36 0.39 1.57 -0.87 -2.32 116.57 116.01 1qwn h LYS 150 Ca 0.11 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.73 1qwn h LYS 150 Cb 0.31 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1qwn h LYS 150 CO 0.00 0.49 -0.11 0.66 -0.57 0.00 0.00 179.45 179.92 1qwn h SER 151 N 0.64 0.73 1.11 0.86 4.64 -0.92 0.11 113.55 120.72 1qwn h SER 151 Ca 0.16 -0.38 0.00 0.00 -0.47 0.00 0.00 61.79 61.11 1qwn h SER 151 Cb 0.07 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 1qwn h SER 151 CO -0.02 0.94 0.00 0.16 -0.87 0.00 0.00 176.83 177.04 1qwn h ILE 152 N 0.51 0.00 0.11 0.95 3.07 -1.11 -0.77 117.51 120.28 1qwn h ILE 152 Ca 0.09 -0.55 -0.17 0.00 1.55 0.00 0.00 64.86 65.78 1qwn h ILE 152 Cb 0.63 1.53 0.01 0.00 -0.27 0.00 0.00 36.82 38.73 1qwn h ILE 152 CO 0.04 0.00 -0.79 0.58 -1.05 0.00 0.00 178.15 176.93 1qwn h VAL 153 N 0.00 1.46 -0.39 0.16 2.07 -1.24 -1.35 116.25 116.96 1qwn h VAL 153 Ca 0.00 -2.47 -0.03 0.00 0.82 0.00 0.00 66.70 65.02 1qwn h VAL 153 Cb 0.55 3.12 -0.02 0.00 -1.52 0.00 0.00 31.29 33.43 1qwn h VAL 153 CO 0.00 0.68 0.11 0.50 0.02 0.00 0.00 177.57 178.88 1qwn h LYS 154 N -0.49 0.57 -0.91 1.57 3.64 -0.54 -1.83 116.57 118.57 1qwn h LYS 154 Ca -0.15 -0.09 -0.54 0.00 -1.27 0.00 0.00 60.65 58.60 1qwn h LYS 154 Cb 1.54 -0.10 -0.29 0.00 -0.41 0.00 0.00 32.23 32.98 1qwn h LYS 154 CO 0.10 0.51 0.57 0.09 -2.27 0.00 0.00 179.45 178.46 1qwn n ASN 155 N -4.34 5.12 0.00 4.20 3.02 -0.31 -4.94 115.26 118.01 1qwn n ASN 155 Ca 0.02 -3.71 0.00 0.00 -0.03 0.00 0.00 54.58 50.87 1qwn n ASN 155 Cb 0.18 -0.84 0.00 0.00 -0.61 0.00 0.00 39.78 38.51 1qwn n ASN 155 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qwn n GLY 156 N -1.04 0.17 0.11 7.41 0.00 -0.69 -4.91 105.19 106.25 1qwn n GLY 156 Ca 0.57 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.41 1qwn n GLY 156 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1qwn h GLN 157 N 0.41 0.28 -5.03 1.61 4.20 -1.51 -3.43 115.11 111.64 1qwn h GLN 157 Ca 0.00 -0.39 -0.64 0.00 0.06 0.00 0.00 58.65 57.68 1qwn h GLN 157 Cb 0.56 0.13 -0.20 0.00 0.30 0.00 0.00 27.48 28.27 1qwn h GLN 157 CO 0.00 1.13 -0.59 -1.17 -0.67 0.00 0.00 178.83 177.54 1qwn s LEU 158 N -8.13 3.65 -0.08 1.46 2.96 -0.78 -1.13 118.68 116.62 1qwn s LEU 158 Ca -0.14 -0.10 0.03 0.00 -0.22 0.00 0.00 54.13 53.70 1qwn s LEU 158 Cb 0.01 -1.97 0.01 0.00 0.50 0.00 0.00 46.19 44.74 1qwn s LEU 158 CO 0.80 0.02 -0.18 -0.70 -1.32 0.00 0.00 176.35 174.97 1qwn s GLU 159 N 1.32 2.26 0.07 1.98 2.12 -0.44 -4.29 118.70 121.72 1qwn s GLU 159 Ca 0.05 -0.64 -0.29 0.00 0.36 0.00 0.00 54.97 54.46 1qwn s GLU 159 Cb -0.15 -1.80 -0.05 0.00 0.26 0.00 0.00 34.13 32.40 1qwn s GLU 159 CO 0.04 0.13 0.91 -0.06 -0.54 0.00 0.00 175.26 175.74 1qwn s PHE 160 N 0.43 3.76 -0.11 5.30 0.40 -1.26 -1.12 117.98 125.37 1qwn s PHE 160 Ca -0.15 1.69 0.02 0.00 -0.60 0.00 0.00 56.93 57.89 1qwn s PHE 160 Cb -0.16 -3.01 -0.01 0.00 0.51 0.00 0.00 43.02 40.35 1qwn s PHE 160 CO 0.06 0.17 -0.18 0.14 0.70 0.00 0.00 175.22 176.11 1qwn s VAL 161 N 0.23 2.65 0.00 -0.44 -7.23 -0.17 -4.69 120.40 110.76 1qwn s VAL 161 Ca 0.46 -0.81 0.00 0.00 -1.81 0.00 0.00 61.98 59.82 1qwn s VAL 161 Cb -0.22 -2.07 0.00 0.00 0.56 0.00 0.00 36.38 34.65 1qwn s VAL 161 CO 0.28 0.54 0.00 0.41 -0.31 0.00 0.00 175.10 176.02 1qwn n THR 162 N 3.42 0.00 -0.79 5.32 -1.04 0.18 -4.24 114.28 117.14 1qwn n THR 162 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 1qwn n THR 162 Cb 0.53 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 1qwn n THR 162 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1qwn n GLY 163 N 0.00 0.55 3.88 3.41 0.00 -1.25 -4.63 105.19 107.14 1qwn n GLY 163 Ca 0.00 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 1qwn n GLY 163 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qwn s GLY 164 N -2.51 1.62 0.34 -0.02 0.00 -1.26 -1.97 107.32 103.51 1qwn s GLY 164 Ca 0.00 -0.42 0.05 0.00 0.00 0.00 0.00 44.72 44.35 1qwn s GLY 164 CO 0.00 -0.01 1.91 -0.25 0.00 0.00 0.00 173.10 174.75 1qwn h TRP 165 N -0.81 0.88 -4.62 1.90 -0.00 -1.47 -1.50 115.95 110.33 1qwn h TRP 165 Ca -0.45 0.02 -0.45 0.00 -0.00 0.00 0.00 58.89 58.01 1qwn h TRP 165 Cb 1.28 -0.29 -0.11 0.00 -0.00 0.00 0.00 29.16 30.03 1qwn h TRP 165 CO 0.44 0.42 -0.43 1.33 -0.00 0.00 0.00 178.44 180.21 1qwn n VAL 166 N -4.51 0.00 -3.49 2.65 0.24 -1.26 -1.24 118.33 110.71 1qwn n VAL 166 Ca 0.14 -2.21 -0.42 0.00 -2.04 0.00 0.00 64.34 59.81 1qwn n VAL 166 Cb 0.30 1.05 -0.07 0.00 -1.47 0.00 0.00 33.84 33.64 1qwn n VAL 166 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 1qwn s MET 167 N -3.27 2.64 0.58 7.34 -2.45 -1.26 -4.89 119.30 118.00 1qwn s MET 167 Ca 0.33 -1.82 -0.16 0.00 -1.25 0.00 0.00 55.69 52.79 1qwn s MET 167 Cb 0.02 -4.03 -0.04 0.00 1.25 0.00 0.00 34.83 32.03 1qwn s MET 167 CO 0.23 -1.23 1.06 -1.25 1.05 0.00 0.00 175.02 174.89 1qwn s PRO 168 N 1.30 3.35 0.59 4.11 0.04 -1.26 -3.02 135.00 140.11 1qwn s PRO 168 Ca 0.06 1.25 -0.19 0.00 0.04 0.00 0.00 61.00 62.16 1qwn s PRO 168 Cb -0.26 -2.03 -0.05 0.00 0.04 0.00 0.00 34.50 32.20 1qwn s PRO 168 CO -0.00 -0.79 1.02 -3.47 0.04 0.00 0.00 177.00 173.80 1qwn n ASP 169 N -1.89 1.05 -0.16 6.66 2.03 -0.01 -4.63 116.55 119.60 1qwn n ASP 169 Ca 0.09 0.83 0.03 0.00 0.52 0.00 0.00 54.79 56.27 1qwn n ASP 169 Cb 0.53 -1.41 0.00 0.00 -0.72 0.00 0.00 41.12 39.51 1qwn n ASP 169 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1qwn n GLU 170 N -1.01 2.12 -0.11 -0.67 1.02 -1.26 -4.45 120.64 116.28 1qwn n GLU 170 Ca 0.13 -0.53 -0.24 0.00 -0.02 0.00 0.00 57.16 56.50 1qwn n GLU 170 Cb 0.47 -0.99 -0.11 0.00 -0.02 0.00 0.00 31.44 30.78 1qwn n GLU 170 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1qwn n ALA 171 N -0.27 0.98 0.08 0.62 0.00 -1.26 -4.56 120.51 116.11 1qwn n ALA 171 Ca 0.03 -0.76 0.11 0.00 0.00 0.00 0.00 53.44 52.83 1qwn n ALA 171 Cb 0.14 -0.30 -0.09 0.00 0.00 0.00 0.00 19.45 19.20 1qwn n ALA 171 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1qwn n ASN 172 N -4.19 0.38 -4.76 0.00 3.02 -1.26 -4.54 115.26 103.90 1qwn n ASN 172 Ca -0.41 0.10 -0.41 0.00 -0.03 0.00 0.00 54.58 53.84 1qwn n ASN 172 Cb 0.81 1.31 -0.02 0.00 -0.61 0.00 0.00 39.78 41.27 1qwn n ASN 172 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1qwn s SER 173 N -4.80 6.76 0.28 6.41 0.15 -1.26 -4.77 113.70 116.47 1qwn s SER 173 Ca -0.04 2.67 -0.27 0.00 0.70 0.00 0.00 55.95 59.01 1qwn s SER 173 Cb 0.12 -2.64 -0.09 0.00 -1.71 0.00 0.00 66.02 61.70 1qwn s SER 173 CO 0.86 -0.56 0.92 -2.28 1.20 0.00 0.00 173.24 173.38 1qwn s HIS 174 N -0.92 3.81 0.41 3.44 2.46 -1.26 -4.23 115.29 119.01 1qwn s HIS 174 Ca 0.51 1.81 0.15 0.00 0.47 0.00 0.00 55.06 57.99 1qwn s HIS 174 Cb -0.40 -2.92 1.01 0.00 -0.13 0.00 0.00 32.58 30.14 1qwn s HIS 174 CO 0.51 0.33 1.90 0.11 -2.47 0.00 0.00 174.74 175.12 1qwn h TRP 175 N 3.61 0.55 -0.76 3.88 5.08 -1.05 -0.21 115.95 127.05 1qwn h TRP 175 Ca -0.46 0.02 -0.02 0.00 1.08 0.00 0.00 58.89 59.51 1qwn h TRP 175 Cb 1.20 -0.17 -0.04 0.00 -3.00 0.00 0.00 29.16 27.15 1qwn h TRP 175 CO 0.62 0.20 0.40 0.00 -1.28 0.00 0.00 178.44 178.38 1qwn h ARG 176 N 0.46 1.06 0.00 0.12 3.08 -1.92 -0.90 114.38 116.28 1qwn h ARG 176 Ca 0.39 -0.13 -0.15 0.00 0.07 0.00 0.00 59.98 60.16 1qwn h ARG 176 Cb 0.86 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.68 1qwn h ARG 176 CO -0.14 0.79 -0.73 -0.91 -1.07 0.00 0.00 179.97 177.91 1qwn h ASN 177 N 1.06 0.00 -0.52 7.04 2.35 -1.46 -0.96 115.58 123.09 1qwn h ASN 177 Ca 0.27 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.97 1qwn h ASN 177 Cb 0.05 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 1qwn h ASN 177 CO -0.04 0.73 0.14 0.58 -1.65 0.00 0.00 177.43 177.19 1qwn h VAL 178 N 0.00 1.24 -0.42 2.81 2.07 -0.90 -1.15 116.25 119.90 1qwn h VAL 178 Ca -0.01 -0.83 -0.12 0.00 0.82 0.00 0.00 66.70 66.56 1qwn h VAL 178 Cb 1.53 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 1qwn h VAL 178 CO 0.10 0.30 -0.23 0.25 0.02 0.00 0.00 177.57 178.01 1qwn h LEU 179 N 0.71 0.86 -0.27 2.57 5.85 -1.11 -1.92 115.31 122.01 1qwn h LEU 179 Ca 0.16 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 58.58 1qwn h LEU 179 Cb 0.32 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 1qwn h LEU 179 CO -0.00 1.05 0.12 0.25 -0.34 0.00 0.00 178.44 179.53 1qwn h LEU 180 N 0.73 0.18 -0.52 2.25 5.85 -0.90 0.31 115.31 123.21 1qwn h LEU 180 Ca 0.10 0.01 -0.17 0.00 0.84 0.00 0.00 57.88 58.67 1qwn h LEU 180 Cb 0.76 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 1qwn h LEU 180 CO 0.06 0.14 -0.65 0.06 -0.34 0.00 0.00 178.44 177.71 1qwn h GLN 181 N 0.27 0.36 -0.43 1.25 -0.00 -1.13 -0.19 115.11 115.24 1qwn h GLN 181 Ca 0.11 -0.27 -0.00 0.00 -0.00 0.00 0.00 58.65 58.49 1qwn h GLN 181 Cb 0.04 0.05 -0.02 0.00 -0.00 0.00 0.00 27.48 27.55 1qwn h GLN 181 CO -0.08 0.89 0.25 1.25 -0.00 0.00 0.00 178.83 181.13 1qwn h LEU 182 N 0.26 0.52 -0.78 0.06 5.85 -1.05 -0.99 115.31 119.18 1qwn h LEU 182 Ca -0.01 -0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.54 1qwn h LEU 182 Cb 1.19 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 1qwn h LEU 182 CO 0.11 0.44 -0.08 0.74 -0.34 0.00 0.00 178.44 179.31 1qwn h THR 183 N 0.56 1.26 -0.26 1.05 2.02 -0.63 -0.28 112.91 116.62 1qwn h THR 183 Ca 0.15 -1.15 -0.01 0.00 0.77 0.00 0.00 66.41 66.16 1qwn h THR 183 Cb 0.02 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1qwn h THR 183 CO -0.03 0.40 0.11 -0.08 0.37 0.00 0.00 175.52 176.30 1qwn h GLU 184 N 0.77 0.38 -0.29 6.66 4.57 -0.80 0.51 114.58 126.39 1qwn h GLU 184 Ca 0.13 -0.06 -0.12 0.00 -1.18 0.00 0.00 59.36 58.13 1qwn h GLU 184 Cb 0.57 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1qwn h GLU 184 CO 0.04 0.40 -0.30 0.78 -1.18 0.00 0.00 179.01 178.74 1qwn h GLY 185 N 0.28 0.77 1.78 1.92 0.00 -1.30 -2.86 103.07 103.67 1qwn h GLY 185 Ca 0.09 -0.80 -0.15 0.00 0.00 0.00 0.00 47.33 46.46 1qwn h GLY 185 CO -0.01 0.72 -0.64 1.46 0.00 0.00 0.00 176.54 178.08 1qwn h GLN 186 N 0.45 0.22 -0.54 4.80 4.20 -0.39 -0.81 115.11 123.05 1qwn h GLN 186 Ca 0.04 -0.16 -0.04 0.00 0.06 0.00 0.00 58.65 58.55 1qwn h GLN 186 Cb 0.88 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.66 1qwn h GLN 186 CO 0.07 0.79 0.17 1.15 -0.67 0.00 0.00 178.83 180.34 1qwn h THR 187 N 0.16 1.23 -0.23 -0.54 2.02 -0.93 0.04 112.91 114.66 1qwn h THR 187 Ca -0.01 -0.78 0.00 0.00 0.77 0.00 0.00 66.41 66.39 1qwn h THR 187 Cb 1.16 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 68.28 1qwn h THR 187 CO 0.10 0.29 0.15 -0.25 0.37 0.00 0.00 175.52 176.17 1qwn h TRP 188 N 0.74 0.30 -0.78 3.16 7.01 -1.30 -1.83 115.95 123.25 1qwn h TRP 188 Ca 0.17 0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.17 1qwn h TRP 188 Cb 0.27 -0.10 -0.04 0.00 -2.10 0.00 0.00 29.16 27.20 1qwn h TRP 188 CO 0.02 0.21 0.45 -0.07 -2.79 0.00 0.00 178.44 176.26 1qwn h LEU 189 N 0.30 0.95 -0.47 0.65 3.38 -0.84 -0.70 115.31 118.58 1qwn h LEU 189 Ca 0.08 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.94 1qwn h LEU 189 Cb -0.01 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1qwn h LEU 189 CO -0.02 0.75 0.17 0.50 0.09 0.00 0.00 178.44 179.94 1qwn h LYS 190 N 1.07 0.71 -0.13 1.13 3.64 -0.81 0.72 116.57 122.90 1qwn h LYS 190 Ca 0.28 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 1qwn h LYS 190 Cb -0.01 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.70 1qwn h LYS 190 CO -0.05 0.66 0.01 0.37 -2.27 0.00 0.00 179.45 178.16 1qwn h GLN 191 N 0.62 0.23 0.00 1.90 4.15 -0.88 -2.71 115.11 118.42 1qwn h GLN 191 Ca 0.15 -0.07 -0.31 0.00 0.77 0.00 0.00 58.65 59.19 1qwn h GLN 191 Cb 0.22 -0.02 -0.06 0.00 0.21 0.00 0.00 27.48 27.83 1qwn h GLN 191 CO -0.01 0.45 -2.11 1.19 -1.93 0.00 0.00 178.83 176.42 1qwn n PHE 192 N -4.79 0.34 0.42 3.99 3.01 -0.31 -4.53 117.46 115.59 1qwn n PHE 192 Ca -0.06 0.12 0.04 0.00 1.01 0.00 0.00 57.45 58.57 1qwn n PHE 192 Cb 0.20 -1.03 -0.03 0.00 -0.01 0.00 0.00 39.48 38.61 1qwn n PHE 192 CO 0.00 0.00 0.00 -1.33 1.01 0.00 0.00 176.76 176.44 1qwn n MET 193 N -2.81 3.31 -3.78 -1.08 2.81 0.10 -4.99 117.12 110.67 1qwn n MET 193 Ca -0.25 -0.23 -0.27 0.00 -1.81 0.00 0.00 57.70 55.15 1qwn n MET 193 Cb 1.07 -0.98 0.04 0.00 -0.71 0.00 0.00 33.22 32.65 1qwn n MET 193 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 1qwn n ASN 194 N -0.84 -4.35 -3.91 7.83 5.15 -0.32 -4.87 115.26 113.95 1qwn n ASN 194 Ca 0.03 -0.73 -0.10 0.00 -0.60 0.00 0.00 54.58 53.18 1qwn n ASN 194 Cb 0.16 -4.24 -0.10 0.00 -0.53 0.00 0.00 39.78 35.08 1qwn n ASN 194 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1qwn s VAL 195 N -3.38 0.11 -0.21 3.44 -7.23 -1.20 -4.99 120.40 106.95 1qwn s VAL 195 Ca 0.49 -0.93 -0.02 0.00 -1.81 0.00 0.00 61.98 59.71 1qwn s VAL 195 Cb -0.24 -0.69 0.06 0.00 0.56 0.00 0.00 36.38 36.08 1qwn s VAL 195 CO 0.80 -0.51 0.03 -0.89 -0.31 0.00 0.00 175.10 174.22 1qwn s THR 196 N -2.10 0.63 0.47 5.32 2.01 -1.26 -3.38 115.64 117.33 1qwn s THR 196 Ca -0.09 -0.68 -0.24 0.00 0.31 0.00 0.00 61.69 60.98 1qwn s THR 196 Cb -0.04 -1.14 -0.08 0.00 0.01 0.00 0.00 72.50 71.25 1qwn s THR 196 CO -0.02 -0.24 1.42 -2.65 -0.69 0.00 0.00 174.62 172.44 1qwn n PRO 197 N 5.00 2.13 -0.00 4.92 -0.02 -1.26 -4.92 135.00 140.85 1qwn n PRO 197 Ca -0.09 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 1qwn n PRO 197 Cb 0.46 -2.62 0.01 0.00 -0.02 0.00 0.00 33.50 31.33 1qwn n PRO 197 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1qwn n THR 198 N -0.39 0.32 -5.14 3.45 -2.24 -1.26 -4.76 114.28 104.25 1qwn n THR 198 Ca 0.06 -0.66 -0.30 0.00 -2.27 0.00 0.00 64.05 60.88 1qwn n THR 198 Cb 0.42 0.85 -0.16 0.00 -2.10 0.00 0.00 70.33 69.34 1qwn n THR 198 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qwn s ALA 199 N -0.37 1.97 0.03 6.98 0.00 -1.26 -0.79 121.76 128.32 1qwn s ALA 199 Ca 0.01 -0.96 0.03 0.00 0.00 0.00 0.00 51.96 51.05 1qwn s ALA 199 Cb 0.01 -0.59 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 1qwn s ALA 199 CO 0.01 0.40 -0.02 0.45 0.00 0.00 0.00 175.76 176.60 1qwn s SER 200 N -0.20 4.96 -0.20 0.00 0.15 -0.48 -0.64 113.70 117.28 1qwn s SER 200 Ca -0.01 -0.10 -0.01 0.00 0.70 0.00 0.00 55.95 56.53 1qwn s SER 200 Cb -0.12 -1.22 0.05 0.00 -1.71 0.00 0.00 66.02 63.02 1qwn s SER 200 CO 0.02 0.24 -0.03 0.86 1.20 0.00 0.00 173.24 175.54 1qwn s TRP 201 N -1.14 1.73 -0.44 3.44 -0.11 -1.26 -0.73 118.94 120.42 1qwn s TRP 201 Ca 0.21 -1.23 0.02 0.00 1.22 0.00 0.00 56.10 56.32 1qwn s TRP 201 Cb -0.11 -1.31 0.15 0.00 -1.50 0.00 0.00 33.47 30.69 1qwn s TRP 201 CO 0.12 -0.66 0.28 0.00 -4.62 0.00 0.00 176.95 172.07 1qwn s ALA 202 N 1.62 1.82 -0.85 5.86 0.00 -0.59 -4.84 121.76 124.79 1qwn s ALA 202 Ca -0.02 -2.50 0.23 0.00 0.00 0.00 0.00 51.96 49.67 1qwn s ALA 202 Cb -0.17 -1.77 0.13 0.00 0.00 0.00 0.00 23.12 21.31 1qwn s ALA 202 CO -0.07 -2.06 1.13 0.44 0.00 0.00 0.00 175.76 175.20 1qwn n ILE 203 N 3.34 0.07 0.00 0.00 -5.35 -1.26 -3.12 119.36 113.04 1qwn n ILE 203 Ca 0.16 -0.10 0.00 0.00 -0.27 0.00 0.00 62.75 62.54 1qwn n ILE 203 Cb 0.38 0.43 0.00 0.00 -1.74 0.00 0.00 39.64 38.71 1qwn n ILE 203 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1qwn n ASP 204 N -1.68 1.62 -4.68 7.28 4.64 -1.26 -4.43 116.55 118.04 1qwn n ASP 204 Ca 0.04 -0.32 -0.36 0.00 -1.38 0.00 0.00 54.79 52.77 1qwn n ASP 204 Cb 0.37 0.97 0.09 0.00 -1.04 0.00 0.00 41.12 41.52 1qwn n ASP 204 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 1qwn n PRO 205 N -1.13 0.66 -3.14 -0.67 -0.02 -1.26 -4.86 135.00 124.57 1qwn n PRO 205 Ca 0.00 0.29 -0.44 0.00 -2.02 0.00 0.00 63.50 61.32 1qwn n PRO 205 Cb 0.00 -2.39 -0.00 0.00 -0.02 0.00 0.00 33.50 31.09 1qwn n PRO 205 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 1qwn s PHE 206 N -1.73 3.89 0.00 6.00 0.08 -1.26 -4.37 117.98 120.59 1qwn s PHE 206 Ca 0.77 -2.42 0.00 0.00 0.12 0.00 0.00 56.93 55.40 1qwn s PHE 206 Cb -0.35 -4.08 0.00 0.00 -0.57 0.00 0.00 43.02 38.02 1qwn s PHE 206 CO 0.47 -1.18 0.00 0.41 -0.10 0.00 0.00 175.22 174.82 1qwn n GLY 207 N 3.40 1.65 3.08 4.36 0.00 -1.07 -4.59 105.19 112.01 1qwn n GLY 207 Ca 0.30 -1.88 -0.18 0.00 0.00 0.00 0.00 46.02 44.27 1qwn n GLY 207 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qwn s HIS 208 N -2.81 0.95 -0.01 1.61 3.76 -1.09 -4.64 115.29 113.05 1qwn s HIS 208 Ca 0.00 -0.30 0.04 0.00 -0.15 0.00 0.00 55.06 54.65 1qwn s HIS 208 Cb 0.00 -0.58 -0.03 0.00 1.11 0.00 0.00 32.58 33.08 1qwn s HIS 208 CO 0.00 -0.00 -0.12 0.45 -0.85 0.00 0.00 174.74 174.22 1qwn s SER 209 N -0.88 4.23 0.00 1.40 0.15 -1.26 -1.04 113.70 116.30 1qwn s SER 209 Ca -0.00 -0.21 0.12 0.00 0.70 0.00 0.00 55.95 56.55 1qwn s SER 209 Cb -0.07 -0.90 0.51 0.00 -1.71 0.00 0.00 66.02 63.86 1qwn s SER 209 CO 0.01 0.31 1.38 -0.81 1.20 0.00 0.00 173.24 175.32 1qwn n PRO 210 N 1.88 0.01 0.23 5.44 -0.04 -1.26 -1.95 135.00 139.31 1qwn n PRO 210 Ca -0.16 0.29 0.06 0.00 -0.04 0.00 0.00 63.50 63.65 1qwn n PRO 210 Cb 0.52 -1.50 0.56 0.00 -0.04 0.00 0.00 33.50 33.04 1qwn n PRO 210 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1qwn h THR 211 N 0.00 1.07 0.64 0.52 2.02 -1.95 -2.34 112.91 112.88 1qwn h THR 211 Ca 0.00 -0.33 -0.03 0.00 0.77 0.00 0.00 66.41 66.82 1qwn h THR 211 Cb 0.20 1.14 0.01 0.00 -1.74 0.00 0.00 68.15 67.76 1qwn h THR 211 CO 0.00 0.10 -0.31 0.24 0.37 0.00 0.00 175.52 175.92 1qwn h MET 212 N 0.03 -0.83 -0.15 6.66 2.86 -1.80 -1.63 114.93 120.07 1qwn h MET 212 Ca 0.01 0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1qwn h MET 212 Cb 0.16 0.19 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 1qwn h MET 212 CO 0.01 -0.51 0.06 -1.00 1.06 0.00 0.00 176.91 176.53 1qwn h PRO 213 N -0.99 0.21 0.10 -0.22 0.13 -1.74 0.54 132.00 130.03 1qwn h PRO 213 Ca -0.09 -0.02 0.02 0.00 -0.87 0.00 0.00 66.00 65.04 1qwn h PRO 213 Cb 0.69 -0.04 -0.03 0.00 0.13 0.00 0.00 31.00 31.75 1qwn h PRO 213 CO 0.14 0.18 -0.23 -0.92 -0.23 0.00 0.00 178.00 176.94 1qwn h TYR 214 N 0.21 -0.60 -0.25 1.56 3.20 -1.19 0.37 116.97 120.26 1qwn h TYR 214 Ca 0.05 0.01 -0.10 0.00 3.14 0.00 0.00 58.73 61.84 1qwn h TYR 214 Cb 0.05 0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.57 1qwn h TYR 214 CO 0.00 -0.32 -0.22 0.82 -1.64 0.00 0.00 178.16 176.79 1qwn h ILE 215 N -0.41 1.31 -0.50 1.81 2.04 -0.83 -3.09 117.51 117.85 1qwn h ILE 215 Ca 0.03 -1.38 -0.03 0.00 1.00 0.00 0.00 64.86 64.49 1qwn h ILE 215 Cb 0.44 1.64 -0.02 0.00 -0.74 0.00 0.00 36.82 38.14 1qwn h ILE 215 CO -0.14 0.43 0.21 -0.07 0.00 0.00 0.00 178.15 178.58 1qwn h LEU 216 N 0.31 0.67 -1.75 1.44 3.38 -0.82 -2.12 115.31 116.42 1qwn h LEU 216 Ca 0.04 -0.16 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 1qwn h LEU 216 Cb 0.77 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 1qwn h LEU 216 CO 0.06 0.65 -0.16 -0.61 0.09 0.00 0.00 178.44 178.46 1qwn h GLN 217 N 0.66 0.00 -0.18 1.13 -0.00 -0.98 0.04 115.11 115.78 1qwn h GLN 217 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.82 1qwn h GLN 217 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.65 1qwn h GLN 217 CO -0.02 0.16 0.00 1.63 0.00 0.00 0.00 178.83 180.61 1qwn n LYS 218 N -4.07 1.69 -0.52 1.69 5.02 -0.88 -3.70 118.16 117.40 1qwn n LYS 218 Ca -0.02 -1.05 0.07 0.00 -2.02 0.00 0.00 58.31 55.29 1qwn n LYS 218 Cb 0.24 -1.37 0.15 0.00 -0.02 0.00 0.00 35.03 34.04 1qwn n LYS 218 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1qwn n SER 219 N 0.28 1.73 0.00 4.39 7.64 -0.11 -1.83 113.62 125.73 1qwn n SER 219 Ca 0.15 -3.32 0.00 0.00 1.01 0.00 0.00 58.87 56.71 1qwn n SER 219 Cb 0.31 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 1qwn n SER 219 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qwn n GLY 220 N -0.98 1.19 3.79 0.23 0.00 -1.14 -4.91 105.19 103.38 1qwn n GLY 220 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1qwn n GLY 220 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1qwn s PHE 221 N -3.08 2.88 -0.00 1.61 0.40 -0.57 -4.81 117.98 114.41 1qwn s PHE 221 Ca 0.00 1.53 0.00 0.00 -0.60 0.00 0.00 56.93 57.86 1qwn s PHE 221 Cb 0.00 -3.08 -0.01 0.00 0.51 0.00 0.00 43.02 40.45 1qwn s PHE 221 CO 0.00 -1.24 0.01 1.63 0.70 0.00 0.00 175.22 176.32 1qwn n LYS 222 N -1.91 1.04 -3.68 0.44 4.76 0.03 -4.58 118.16 114.27 1qwn n LYS 222 Ca 0.09 -0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.41 1qwn n LYS 222 Cb 0.52 -0.94 -0.06 0.00 -1.84 0.00 0.00 35.03 32.71 1qwn n LYS 222 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1qwn s ASN 223 N -1.90 -0.25 0.05 4.39 -0.87 -0.95 -3.87 114.94 111.54 1qwn s ASN 223 Ca -0.00 -0.06 -0.11 0.00 -1.57 0.00 0.00 52.86 51.12 1qwn s ASN 223 Cb 0.00 0.41 0.01 0.00 -0.02 0.00 0.00 41.25 41.66 1qwn s ASN 223 CO 0.02 -0.67 0.24 0.00 -2.57 0.00 0.00 177.10 174.12 1qwn s MET 224 N -2.57 0.78 -0.01 -0.60 0.23 -0.22 -1.39 119.30 115.52 1qwn s MET 224 Ca -0.05 -0.65 0.04 0.00 -1.03 0.00 0.00 55.69 54.00 1qwn s MET 224 Cb -0.01 0.33 -0.01 0.00 -1.53 0.00 0.00 34.83 33.61 1qwn s MET 224 CO -0.03 -0.24 -0.14 -1.17 -2.03 0.00 0.00 175.02 171.40 1qwn s LEU 225 N -2.26 2.00 0.15 0.18 0.20 0.09 -0.30 118.68 118.73 1qwn s LEU 225 Ca -0.03 -0.26 0.04 0.00 0.69 0.00 0.00 54.13 54.58 1qwn s LEU 225 Cb 0.00 -0.73 -0.04 0.00 -0.43 0.00 0.00 46.19 44.98 1qwn s LEU 225 CO -0.05 0.17 -0.09 0.27 -0.29 0.00 0.00 176.35 176.35 1qwn s ILE 226 N -0.27 1.11 0.07 6.68 -4.36 -0.27 -1.55 121.20 122.61 1qwn s ILE 226 Ca 0.04 -2.05 0.00 0.00 -0.26 0.00 0.00 60.65 58.38 1qwn s ILE 226 Cb -0.06 -1.86 0.00 0.00 1.25 0.00 0.00 42.46 41.79 1qwn s ILE 226 CO -0.00 -0.74 0.00 1.67 0.24 0.00 0.00 174.94 176.11 1qwn n GLN 227 N -0.19 0.00 -2.68 0.37 -0.06 -1.18 -1.52 117.38 112.12 1qwn n GLN 227 Ca -0.10 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.48 1qwn n GLN 227 Cb 0.61 -0.17 -0.03 0.00 -4.06 0.00 0.00 30.24 26.59 1qwn n GLN 227 CO 0.00 0.00 0.00 1.03 -0.20 0.00 0.00 177.06 177.89 1qwn s ARG 228 N -2.00 3.50 0.15 3.69 0.52 -1.26 -4.74 118.95 118.81 1qwn s ARG 228 Ca 0.00 -1.16 0.08 0.00 -0.52 0.00 0.00 55.73 54.13 1qwn s ARG 228 Cb 0.00 -5.01 -0.04 0.00 0.52 0.00 0.00 34.95 30.42 1qwn s ARG 228 CO 0.00 -2.06 -0.17 0.95 0.02 0.00 0.00 175.30 174.04 1qwn s THR 229 N 4.40 1.70 0.21 0.02 -4.23 -1.26 -2.59 115.64 113.89 1qwn s THR 229 Ca 0.39 -1.87 -0.31 0.00 -1.18 0.00 0.00 61.69 58.72 1qwn s THR 229 Cb -0.04 -1.77 -0.15 0.00 1.34 0.00 0.00 72.50 71.89 1qwn s THR 229 CO -0.05 -0.34 1.19 1.57 -0.54 0.00 0.00 174.62 176.45 1qwn n HIS 230 N 0.35 1.51 0.05 3.99 -0.00 -1.26 -4.74 115.22 115.12 1qwn n HIS 230 Ca -0.14 0.62 0.17 0.00 0.46 0.00 0.00 57.72 58.84 1qwn n HIS 230 Cb 0.57 -2.32 0.67 0.00 -0.12 0.00 0.00 29.99 28.79 1qwn n HIS 230 CO 0.00 0.00 0.00 0.10 0.46 0.00 0.00 176.34 176.90 1qwn h TYR 231 N 3.31 0.03 -0.07 1.57 -0.00 -1.81 0.01 116.97 120.01 1qwn h TYR 231 Ca -0.43 0.00 -0.17 0.00 0.00 0.00 0.00 58.73 58.13 1qwn h TYR 231 Cb 1.33 -0.01 -0.01 0.00 0.00 0.00 0.00 36.73 38.04 1qwn h TYR 231 CO 0.53 0.01 -0.68 0.77 -0.00 0.00 0.00 178.16 178.80 1qwn h SER 232 N 0.03 0.38 -0.19 0.10 0.02 -1.88 -2.27 113.55 109.74 1qwn h SER 232 Ca 0.20 -0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 60.87 1qwn h SER 232 Cb 0.75 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 1qwn h SER 232 CO -0.01 0.95 -0.01 0.58 -1.14 0.00 0.00 176.83 177.20 1qwn h VAL 233 N 0.23 1.27 -0.69 2.27 2.07 -1.37 -1.75 116.25 118.28 1qwn h VAL 233 Ca -0.02 -0.92 0.09 0.00 0.82 0.00 0.00 66.70 66.67 1qwn h VAL 233 Cb 1.23 1.49 -0.07 0.00 -1.52 0.00 0.00 31.29 32.41 1qwn h VAL 233 CO 0.11 0.28 0.33 0.11 0.02 0.00 0.00 177.57 178.42 1qwn h LYS 234 N 0.10 0.55 -0.36 1.57 1.57 -1.27 -0.56 116.57 118.16 1qwn h LYS 234 Ca 0.05 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1qwn h LYS 234 Cb 0.42 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 1qwn h LYS 234 CO 0.01 0.36 0.12 -0.22 -0.57 0.00 0.00 179.45 179.15 1qwn h LYS 235 N 0.56 0.56 -0.03 3.15 3.64 -1.28 0.78 116.57 123.94 1qwn h LYS 235 Ca 0.34 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1qwn h LYS 235 Cb 0.37 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 1qwn h LYS 235 CO -0.27 0.57 0.01 1.49 -2.27 0.00 0.00 179.45 178.98 1qwn h GLU 236 N 0.43 0.05 -0.38 1.90 4.57 -0.98 -1.54 114.58 118.63 1qwn h GLU 236 Ca 0.12 -0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 58.18 1qwn h GLU 236 Cb 0.24 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 1qwn h GLU 236 CO -0.00 0.19 -0.22 -0.07 -1.18 0.00 0.00 179.01 177.72 1qwn h LEU 237 N -0.10 0.77 -0.74 1.64 3.38 -1.09 -2.97 115.31 116.20 1qwn h LEU 237 Ca 0.01 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 1qwn h LEU 237 Cb 0.15 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1qwn h LEU 237 CO -0.00 0.97 0.37 0.00 0.09 0.00 0.00 178.44 179.87 1qwn h ALA 238 N 1.09 0.95 -0.05 1.53 0.00 -0.65 0.78 119.26 122.91 1qwn h ALA 238 Ca 0.09 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.87 1qwn h ALA 238 Cb 0.73 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1qwn h ALA 238 CO 0.06 0.50 0.04 1.96 0.00 0.00 0.00 179.25 181.80 1qwn h GLN 239 N 1.03 0.05 -0.49 0.00 4.20 -1.12 -1.91 115.11 116.88 1qwn h GLN 239 Ca 0.26 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.96 1qwn h GLN 239 Cb 0.09 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1qwn h GLN 239 CO -0.04 0.03 0.00 1.04 -0.67 0.00 0.00 178.83 179.20 1qwn n GLN 240 N -4.53 2.56 -3.90 1.46 1.13 -0.89 -4.96 117.38 108.25 1qwn n GLN 240 Ca -0.02 -2.39 -0.26 0.00 -1.94 0.00 0.00 57.00 52.40 1qwn n GLN 240 Cb 0.10 -1.52 -0.00 0.00 0.11 0.00 0.00 30.24 28.93 1qwn n GLN 240 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 1qwn n ARG 241 N 1.51 -4.00 -0.72 -1.09 1.74 -0.54 -4.90 116.66 108.66 1qwn n ARG 241 Ca 0.21 0.49 -0.01 0.00 -0.77 0.00 0.00 57.85 57.76 1qwn n ARG 241 Cb 0.60 -4.87 0.20 0.00 -1.02 0.00 0.00 32.46 27.37 1qwn n ARG 241 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1qwn n GLN 242 N -4.39 1.84 0.14 5.56 6.02 0.16 -4.63 117.38 122.07 1qwn n GLN 242 Ca -0.24 -3.17 0.12 0.00 -0.01 0.00 0.00 57.00 53.71 1qwn n GLN 242 Cb 0.65 -1.77 0.28 0.00 1.02 0.00 0.00 30.24 30.42 1qwn n GLN 242 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 1qwn h LEU 243 N 1.01 0.00 -8.63 1.08 3.38 -1.82 -3.41 115.31 106.92 1qwn h LEU 243 Ca 0.16 -0.03 -0.65 0.00 0.09 0.00 0.00 57.88 57.45 1qwn h LEU 243 Cb 1.49 0.00 -0.26 0.00 0.09 0.00 0.00 40.66 41.98 1qwn h LEU 243 CO 0.29 0.01 -0.75 -1.61 0.09 0.00 0.00 178.44 176.47 1qwn s GLU 244 N -3.16 3.42 0.14 1.13 2.02 -1.26 -0.33 118.70 120.66 1qwn s GLU 244 Ca 0.08 -0.66 -0.16 0.00 0.02 0.00 0.00 54.97 54.25 1qwn s GLU 244 Cb 0.10 -2.69 0.03 0.00 0.10 0.00 0.00 34.13 31.68 1qwn s GLU 244 CO 0.65 0.20 0.43 -0.59 0.02 0.00 0.00 175.26 175.96 1qwn s PHE 245 N 0.41 -0.16 -0.53 1.61 -0.12 -0.33 -4.27 117.98 114.60 1qwn s PHE 245 Ca -0.09 -0.16 -0.19 0.00 -0.05 0.00 0.00 56.93 56.44 1qwn s PHE 245 Cb -0.16 0.28 0.07 0.00 -0.63 0.00 0.00 43.02 42.58 1qwn s PHE 245 CO 0.05 -0.75 0.64 -0.51 -0.05 0.00 0.00 175.22 174.59 1qwn s LEU 246 N -2.83 5.11 -0.42 -1.99 1.43 0.04 -0.41 118.68 119.61 1qwn s LEU 246 Ca 0.05 -1.07 -0.24 0.00 -1.03 0.00 0.00 54.13 51.85 1qwn s LEU 246 Cb 0.01 -2.40 0.02 0.00 0.03 0.00 0.00 46.19 43.86 1qwn s LEU 246 CO -0.09 -0.94 0.83 0.86 0.23 0.00 0.00 176.35 177.23 1qwn s TRP 247 N 2.60 3.01 0.31 0.29 -0.11 -0.40 -1.34 118.94 123.30 1qwn s TRP 247 Ca 0.14 0.36 0.09 0.00 1.22 0.00 0.00 56.10 57.90 1qwn s TRP 247 Cb -0.21 -3.66 -0.04 0.00 -1.50 0.00 0.00 33.47 28.06 1qwn s TRP 247 CO 0.10 -0.94 0.09 -0.98 -4.62 0.00 0.00 176.95 170.61 1qwn s ARG 248 N 3.36 2.36 0.63 5.86 1.70 -0.14 -1.50 118.95 131.22 1qwn s ARG 248 Ca 0.32 -1.50 -0.16 0.00 -0.47 0.00 0.00 55.73 53.93 1qwn s ARG 248 Cb -0.12 -2.18 -0.01 0.00 -0.57 0.00 0.00 34.95 32.07 1qwn s ARG 248 CO 0.22 0.20 1.12 -0.65 -1.08 0.00 0.00 175.30 175.11 1qwn s GLN 249 N -3.79 2.90 0.58 3.89 -1.52 -1.26 -4.36 119.66 116.10 1qwn s GLN 249 Ca 0.35 1.48 0.34 0.00 -1.95 0.00 0.00 55.36 55.58 1qwn s GLN 249 Cb -0.04 -1.96 1.80 0.00 -0.22 0.00 0.00 33.01 32.60 1qwn s GLN 249 CO 0.22 -1.19 2.19 -0.84 -0.25 0.00 0.00 175.29 175.41 1qwn h ILE 250 N 0.32 0.32 -0.18 1.08 3.07 -1.94 -1.89 117.51 118.30 1qwn h ILE 250 Ca -0.48 -0.27 0.00 0.00 1.55 0.00 0.00 64.86 65.66 1qwn h ILE 250 Cb 1.26 1.20 0.00 0.00 -0.27 0.00 0.00 36.82 39.00 1qwn h ILE 250 CO 0.54 0.04 0.00 -2.67 -1.05 0.00 0.00 178.15 175.02 1qwn n TRP 251 N -3.45 0.21 -2.78 0.16 2.14 -1.26 -4.63 117.44 107.83 1qwn n TRP 251 Ca -0.02 -0.11 -0.43 0.00 2.07 0.00 0.00 57.50 59.01 1qwn n TRP 251 Cb 0.17 -0.00 -0.03 0.00 -0.81 0.00 0.00 31.31 30.63 1qwn n TRP 251 CO 0.00 0.00 0.00 0.34 2.07 0.00 0.00 177.69 180.10 1qwn s ASP 252 N -1.71 6.21 0.17 -0.67 2.15 -0.71 -4.68 116.67 117.43 1qwn s ASP 252 Ca 0.31 -0.95 -0.08 0.00 0.43 0.00 0.00 52.55 52.26 1qwn s ASP 252 Cb 0.20 -2.46 0.04 0.00 -0.30 0.00 0.00 42.92 40.40 1qwn s ASP 252 CO 0.29 -1.52 1.53 -1.13 -0.17 0.00 0.00 175.17 174.18 1qwn h ASN 253 N 9.64 0.93 0.61 -0.34 -1.24 -1.88 -3.32 115.58 119.98 1qwn h ASN 253 Ca -0.24 -0.39 -0.28 0.00 0.71 0.00 0.00 56.30 56.10 1qwn h ASN 253 Cb 1.06 -0.26 -0.01 0.00 0.73 0.00 0.00 38.32 39.84 1qwn h ASN 253 CO 1.21 1.17 -1.36 0.50 -1.29 0.00 0.00 177.43 177.65 1qwn h LYS 254 N 0.74 0.19 0.00 6.67 3.64 -1.97 -3.44 116.57 122.40 1qwn h LYS 254 Ca 0.08 -0.32 0.00 0.00 -1.27 0.00 0.00 60.65 59.14 1qwn h LYS 254 Cb 0.89 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1qwn h LYS 254 CO 0.08 1.07 0.00 0.41 -2.27 0.00 0.00 179.45 178.74 1qwn n GLY 255 N 1.56 1.09 0.28 5.01 0.00 -1.25 -4.99 105.19 106.88 1qwn n GLY 255 Ca -0.11 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.09 1qwn n GLY 255 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1qwn h ASP 256 N 0.00 0.00 0.32 1.61 3.32 -1.94 -1.93 116.42 117.80 1qwn h ASP 256 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1qwn h ASP 256 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1qwn h ASP 256 CO 0.00 0.00 -0.18 0.35 -1.72 0.00 0.00 179.24 177.69 1qwn n THR 257 N -2.98 0.00 -1.73 0.35 -2.24 -1.26 -4.97 114.28 101.44 1qwn n THR 257 Ca -0.01 -0.09 -0.42 0.00 -2.27 0.00 0.00 64.05 61.26 1qwn n THR 257 Cb 0.21 0.13 -0.01 0.00 -2.10 0.00 0.00 70.33 68.56 1qwn n THR 257 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qwn n ALA 258 N -0.83 1.99 -3.60 6.98 0.00 -0.73 -4.72 120.51 119.60 1qwn n ALA 258 Ca 0.13 0.37 -0.21 0.00 0.00 0.00 0.00 53.44 53.73 1qwn n ALA 258 Cb 0.31 -2.37 -0.16 0.00 0.00 0.00 0.00 19.45 17.22 1qwn n ALA 258 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1qwn s LEU 259 N -0.94 1.37 0.19 0.00 2.96 -0.56 -4.89 118.68 116.81 1qwn s LEU 259 Ca 0.60 -0.16 -0.31 0.00 -0.22 0.00 0.00 54.13 54.03 1qwn s LEU 259 Cb -0.53 -0.53 -0.11 0.00 0.50 0.00 0.00 46.19 45.52 1qwn s LEU 259 CO 0.56 -0.04 1.60 0.12 -1.32 0.00 0.00 176.35 177.27 1qwn s PHE 260 N 0.91 3.00 -0.03 5.38 5.36 -1.25 -1.28 117.98 130.07 1qwn s PHE 260 Ca -0.11 0.58 0.03 0.00 -0.96 0.00 0.00 56.93 56.47 1qwn s PHE 260 Cb -0.15 -3.99 0.00 0.00 -0.34 0.00 0.00 43.02 38.55 1qwn s PHE 260 CO 0.00 -3.63 -0.11 0.99 -1.46 0.00 0.00 175.22 171.02 1qwn s THR 261 N 1.00 0.92 -0.23 0.12 2.01 0.45 -1.05 115.64 118.86 1qwn s THR 261 Ca 0.70 -0.43 -0.04 0.00 0.31 0.00 0.00 61.69 62.23 1qwn s THR 261 Cb -0.46 -0.81 -0.01 0.00 0.01 0.00 0.00 72.50 71.24 1qwn s THR 261 CO 0.33 0.28 -0.03 -2.28 -0.69 0.00 0.00 174.62 172.23 1qwn s HIS 262 N 0.18 2.98 -0.22 4.92 2.46 0.58 -1.19 115.29 125.01 1qwn s HIS 262 Ca -0.04 -0.93 -0.13 0.00 0.47 0.00 0.00 55.06 54.44 1qwn s HIS 262 Cb -0.09 -2.12 -0.05 0.00 -0.13 0.00 0.00 32.58 30.19 1qwn s HIS 262 CO 0.01 -0.54 0.25 1.41 -2.47 0.00 0.00 174.74 173.39 1qwn s MET 263 N 1.48 4.13 0.60 2.88 1.75 0.55 -1.12 119.30 129.57 1qwn s MET 263 Ca 0.05 -0.08 -0.18 0.00 -1.25 0.00 0.00 55.69 54.24 1qwn s MET 263 Cb -0.14 -3.52 -0.03 0.00 2.84 0.00 0.00 34.83 33.97 1qwn s MET 263 CO -0.03 0.07 1.17 -1.64 -0.65 0.00 0.00 175.02 173.94 1qwn s MET 264 N 1.02 3.02 0.09 4.11 -1.94 -0.57 -4.79 119.30 120.24 1qwn s MET 264 Ca 0.12 1.68 0.23 0.00 -1.71 0.00 0.00 55.69 56.02 1qwn s MET 264 Cb -0.14 -1.95 0.11 0.00 2.01 0.00 0.00 34.83 34.86 1qwn s MET 264 CO 0.05 -1.13 1.09 -0.35 -0.01 0.00 0.00 175.02 174.67 1qwn n PRO 265 N -1.69 0.36 -3.41 2.03 -0.04 -1.26 -4.86 135.00 126.13 1qwn n PRO 265 Ca 0.12 0.03 -0.21 0.00 -0.04 0.00 0.00 63.50 63.41 1qwn n PRO 265 Cb 0.50 -1.66 -0.01 0.00 -0.04 0.00 0.00 33.50 32.30 1qwn n PRO 265 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1qwn n PHE 266 N -2.14 -0.51 0.19 0.54 0.99 -1.26 -4.82 117.46 110.46 1qwn n PHE 266 Ca 0.02 -1.80 0.05 0.00 -0.00 0.00 0.00 57.45 55.72 1qwn n PHE 266 Cb 0.46 -0.33 0.38 0.00 -1.00 0.00 0.00 39.48 39.00 1qwn n PHE 266 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 176.76 175.84 1qwn h TYR 267 N 0.73 0.00 -4.01 1.38 3.20 -1.95 -3.46 116.97 112.85 1qwn h TYR 267 Ca -0.28 0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.47 1qwn h TYR 267 Cb 0.97 0.00 -0.12 0.00 1.54 0.00 0.00 36.73 39.11 1qwn h TYR 267 CO 0.00 0.36 -0.36 0.45 -1.64 0.00 0.00 178.16 176.97 1qwn s SER 268 N -6.57 0.06 0.00 -2.11 0.15 -1.26 -5.03 113.70 98.94 1qwn s SER 268 Ca -0.01 -1.00 0.27 0.00 0.70 0.00 0.00 55.95 55.90 1qwn s SER 268 Cb 0.12 0.44 0.82 0.00 -1.71 0.00 0.00 66.02 65.69 1qwn s SER 268 CO 0.69 -0.92 1.61 0.00 1.20 0.00 0.00 173.24 175.82 1qwn n TYR 269 N -0.24 0.00 -1.02 3.44 0.18 -1.26 -4.50 117.16 113.75 1qwn n TYR 269 Ca -0.04 0.00 -0.29 0.00 1.88 0.00 0.00 57.90 59.45 1qwn n TYR 269 Cb 0.63 -0.03 0.19 0.00 -0.38 0.00 0.00 39.34 39.76 1qwn n TYR 269 CO 0.00 0.00 0.00 0.16 -2.08 0.00 0.00 176.86 174.94 1qwn s ASP 270 N -2.14 2.31 0.22 9.48 1.47 -1.26 -4.60 116.67 122.15 1qwn s ASP 270 Ca 0.33 1.31 -0.08 0.00 1.18 0.00 0.00 52.55 55.28 1qwn s ASP 270 Cb 0.20 -2.00 0.17 0.00 -0.34 0.00 0.00 42.92 40.96 1qwn s ASP 270 CO 0.38 -3.34 1.81 0.40 0.68 0.00 0.00 175.17 175.10 1qwn h ILE 271 N -2.04 1.26 0.00 2.11 2.04 -1.89 -1.76 117.51 117.23 1qwn h ILE 271 Ca -0.56 -0.72 -0.00 0.00 1.00 0.00 0.00 64.86 64.59 1qwn h ILE 271 Cb 1.33 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1qwn h ILE 271 CO 0.55 0.31 -0.00 -0.65 0.00 0.00 0.00 178.15 178.36 1qwn h PRO 272 N 1.18 0.00 -0.20 2.37 0.11 -1.88 -2.22 132.00 131.36 1qwn h PRO 272 Ca 0.29 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.35 1qwn h PRO 272 Cb 0.12 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.20 1qwn h PRO 272 CO -0.04 0.00 -0.05 0.72 -0.21 0.00 0.00 178.00 178.42 1qwn n HIS 273 N -3.48 0.69 -0.00 0.65 8.25 -0.70 -3.82 115.22 116.80 1qwn n HIS 273 Ca -0.03 -1.13 0.00 0.00 -0.26 0.00 0.00 57.72 56.30 1qwn n HIS 273 Cb 0.08 -0.32 0.00 0.00 1.12 0.00 0.00 29.99 30.87 1qwn n HIS 273 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1qwn n THR 274 N -0.94 0.00 0.13 1.59 -2.24 -0.84 -4.61 114.28 107.38 1qwn n THR 274 Ca 0.23 -0.31 0.11 0.00 -2.27 0.00 0.00 64.05 61.81 1qwn n THR 274 Cb 0.86 1.00 0.03 0.00 -2.10 0.00 0.00 70.33 70.12 1qwn n THR 274 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qwn n GLY 276 N 1.17 -1.69 0.22 0.00 0.00 -1.26 -3.47 105.19 100.16 1qwn n GLY 276 Ca 0.00 -1.11 0.15 0.00 0.00 0.00 0.00 46.02 45.07 1qwn n GLY 276 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qwn h PRO 277 N 0.00 0.00 -4.51 1.61 0.13 -1.93 -3.42 132.00 123.88 1qwn h PRO 277 Ca 0.00 0.00 -0.70 0.00 -0.87 0.00 0.00 66.00 64.43 1qwn h PRO 277 Cb 0.00 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 30.82 1qwn h PRO 277 CO 0.00 0.00 -0.53 0.34 -0.23 0.00 0.00 178.00 177.58 1qwn s ASP 278 N -5.12 5.38 0.52 1.44 -1.08 -1.26 -3.31 116.67 113.25 1qwn s ASP 278 Ca 0.02 -1.67 0.24 0.00 -0.52 0.00 0.00 52.55 50.62 1qwn s ASP 278 Cb 0.09 -1.89 1.44 0.00 -1.46 0.00 0.00 42.92 41.11 1qwn s ASP 278 CO 0.48 -0.50 2.11 1.55 0.52 0.00 0.00 175.17 179.33 1qwn h PRO 279 N 8.22 0.00 -0.26 4.34 0.13 -1.79 -1.20 132.00 141.44 1qwn h PRO 279 Ca -0.19 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.90 1qwn h PRO 279 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 1qwn h PRO 279 CO 0.71 0.10 -0.03 -0.22 -0.23 0.00 0.00 178.00 178.32 1qwn h LYS 280 N 0.00 0.39 0.06 0.86 3.64 -1.93 0.10 116.57 119.69 1qwn h LYS 280 Ca -0.00 -0.08 -0.13 0.00 -1.27 0.00 0.00 60.65 59.17 1qwn h LYS 280 Cb 0.22 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1qwn h LYS 280 CO 0.01 0.45 -0.62 0.28 -2.27 0.00 0.00 179.45 177.30 1qwn h VAL 281 N 0.38 1.48 -0.42 2.00 2.07 -1.66 -3.37 116.25 116.73 1qwn h VAL 281 Ca 0.08 -2.39 -0.02 0.00 0.82 0.00 0.00 66.70 65.20 1qwn h VAL 281 Cb 0.31 3.08 -0.02 0.00 -1.52 0.00 0.00 31.29 33.13 1qwn h VAL 281 CO 0.01 0.61 0.20 0.00 0.02 0.00 0.00 177.57 178.41 1qwn n GLN 284 N -4.04 0.21 -0.33 0.00 6.02 -0.52 -2.17 117.38 116.56 1qwn n GLN 284 Ca -0.01 0.13 0.07 0.00 -0.01 0.00 0.00 57.00 57.18 1qwn n GLN 284 Cb 0.19 -1.50 0.21 0.00 1.02 0.00 0.00 30.24 30.16 1qwn n GLN 284 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 1qwn n PHE 285 N -1.33 0.73 -3.43 1.08 3.72 0.20 -4.19 117.46 114.23 1qwn n PHE 285 Ca 0.08 -0.74 -0.44 0.00 -0.05 0.00 0.00 57.45 56.30 1qwn n PHE 285 Cb 0.16 -0.20 -0.06 0.00 -0.94 0.00 0.00 39.48 38.44 1qwn n PHE 285 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1qwn s ASP 286 N -1.61 6.12 0.00 4.37 -1.08 -0.92 -4.95 116.67 118.60 1qwn s ASP 286 Ca 0.34 -2.24 0.22 0.00 -0.52 0.00 0.00 52.55 50.35 1qwn s ASP 286 Cb 0.25 -2.11 1.20 0.00 -1.46 0.00 0.00 42.92 40.81 1qwn s ASP 286 CO 0.11 -0.66 1.71 0.49 0.52 0.00 0.00 175.17 177.34 1qwn n PHE 287 N 4.53 0.00 1.33 -5.34 3.01 -1.26 -1.58 117.46 118.15 1qwn n PHE 287 Ca -0.01 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.60 1qwn n PHE 287 Cb 0.42 -0.17 0.73 0.00 -0.01 0.00 0.00 39.48 40.45 1qwn n PHE 287 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1qwn n LYS 288 N -1.17 0.34 -1.12 -1.08 4.81 -1.26 -4.10 118.16 114.57 1qwn n LYS 288 Ca 0.13 -0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.33 1qwn n LYS 288 Cb 0.13 -1.50 0.13 0.00 0.02 0.00 0.00 35.03 33.81 1qwn n LYS 288 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1qwn n ARG 289 N -1.33 2.21 0.00 1.64 1.74 -0.61 -4.55 116.66 115.75 1qwn n ARG 289 Ca 0.13 -2.70 0.12 0.00 -0.77 0.00 0.00 57.85 54.62 1qwn n ARG 289 Cb 0.26 -2.06 0.16 0.00 -1.02 0.00 0.00 32.46 29.81 1qwn n ARG 289 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1qwn n MET 290 N -0.84 0.05 0.00 5.56 2.81 -1.26 -4.35 117.12 119.09 1qwn n MET 290 Ca 0.53 -0.03 0.00 0.00 -1.81 0.00 0.00 57.70 56.39 1qwn n MET 290 Cb 1.25 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 32.26 1qwn n MET 290 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1qwn n GLY 291 N 1.49 3.93 0.31 3.03 0.00 -1.24 -4.99 105.19 107.73 1qwn n GLY 291 Ca 0.05 -0.65 0.20 0.00 0.00 0.00 0.00 46.02 45.62 1qwn n GLY 291 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1qwn h SER 292 N 0.06 0.00 0.02 1.61 4.64 -1.91 -1.10 113.55 116.88 1qwn h SER 292 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1qwn h SER 292 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1qwn h SER 292 CO 0.00 0.01 -0.07 0.49 -0.87 0.00 0.00 176.83 176.40 1qwn n PHE 293 N -3.14 0.00 -1.42 4.77 3.01 -1.26 -4.95 117.46 114.47 1qwn n PHE 293 Ca -0.01 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.40 1qwn n PHE 293 Cb 0.18 -0.02 -0.01 0.00 -0.01 0.00 0.00 39.48 39.62 1qwn n PHE 293 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1qwn n GLY 294 N 1.25 0.57 3.32 1.37 0.00 -0.41 -5.03 105.19 106.25 1qwn n GLY 294 Ca 0.16 -0.81 -0.21 0.00 0.00 0.00 0.00 46.02 45.16 1qwn n GLY 294 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qwn s LEU 295 N -1.11 2.45 0.32 0.99 1.43 -1.26 -5.05 118.68 116.45 1qwn s LEU 295 Ca 0.00 -0.88 -0.07 0.00 -1.03 0.00 0.00 54.13 52.15 1qwn s LEU 295 Cb 0.00 -0.76 0.01 0.00 0.03 0.00 0.00 46.19 45.46 1qwn s LEU 295 CO 0.00 -0.07 0.50 -0.94 0.23 0.00 0.00 176.35 176.07 1qwn s SER 296 N -2.73 0.49 -0.29 2.29 1.04 -1.26 -3.61 113.70 109.63 1qwn s SER 296 Ca 0.16 -1.28 -0.12 0.00 0.48 0.00 0.00 55.95 55.19 1qwn s SER 296 Cb -0.05 0.65 -0.04 0.00 0.10 0.00 0.00 66.02 66.68 1qwn s SER 296 CO 0.06 -1.28 0.22 0.00 0.98 0.00 0.00 173.24 173.22 1qwn n PRO 298 N 5.10 0.15 -0.01 0.00 -0.04 -1.26 -1.27 135.00 137.67 1qwn n PRO 298 Ca -0.13 0.44 0.14 0.00 -0.04 0.00 0.00 63.50 63.91 1qwn n PRO 298 Cb 0.51 -1.81 0.68 0.00 -0.04 0.00 0.00 33.50 32.84 1qwn n PRO 298 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 1qwn n TRP 299 N -2.10 0.03 -1.00 0.54 8.01 -1.26 -4.93 117.44 116.73 1qwn n TRP 299 Ca 0.02 -0.01 0.00 0.00 -1.31 0.00 0.00 57.50 56.19 1qwn n TRP 299 Cb 0.17 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.47 1qwn n TRP 299 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1qwn n LYS 300 N -0.42 -0.39 -4.07 -0.99 5.02 -0.39 -5.00 118.16 111.91 1qwn n LYS 300 Ca 0.20 0.10 -0.33 0.00 -2.02 0.00 0.00 58.31 56.26 1qwn n LYS 300 Cb 0.21 -3.39 -0.15 0.00 -0.02 0.00 0.00 35.03 31.68 1qwn n LYS 300 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1qwn s VAL 301 N -1.84 2.28 0.60 -0.18 1.01 -1.26 -5.06 120.40 115.94 1qwn s VAL 301 Ca 0.00 -1.19 -0.10 0.00 0.00 0.00 0.00 61.98 60.69 1qwn s VAL 301 Cb 0.00 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.21 1qwn s VAL 301 CO 0.00 0.27 0.99 -2.16 0.00 0.00 0.00 175.10 174.20 1qwn s PRO 302 N 1.23 3.54 0.62 2.72 0.04 -1.26 -4.51 135.00 137.38 1qwn s PRO 302 Ca -0.01 0.62 -0.16 0.00 0.04 0.00 0.00 61.00 61.49 1qwn s PRO 302 Cb -0.16 -2.14 -0.02 0.00 0.04 0.00 0.00 34.50 32.22 1qwn s PRO 302 CO -0.08 -0.53 1.11 -2.14 0.04 0.00 0.00 177.00 175.39 1qwn s PRO 303 N -5.10 3.02 -0.03 0.56 0.02 -1.26 -4.76 135.00 127.45 1qwn s PRO 303 Ca 0.54 1.43 0.05 0.00 0.02 0.00 0.00 61.00 63.03 1qwn s PRO 303 Cb -0.11 -1.98 -0.01 0.00 0.02 0.00 0.00 34.50 32.43 1qwn s PRO 303 CO 0.52 -1.08 -0.17 1.03 -0.33 0.00 0.00 177.00 176.97 1qwn s ARG 304 N -3.87 1.59 0.23 5.54 0.52 -1.26 -4.84 118.95 116.87 1qwn s ARG 304 Ca 0.68 -0.61 -0.31 0.00 -0.52 0.00 0.00 55.73 54.97 1qwn s ARG 304 Cb -0.21 -1.45 -0.14 0.00 0.52 0.00 0.00 34.95 33.67 1qwn s ARG 304 CO 0.37 0.31 1.35 2.41 0.02 0.00 0.00 175.30 179.75 1qwn n THR 305 N 2.91 0.99 -2.61 0.02 -1.04 -1.26 -4.92 114.28 108.37 1qwn n THR 305 Ca -0.16 -0.25 -0.41 0.00 -2.04 0.00 0.00 64.05 61.18 1qwn n THR 305 Cb 0.53 -1.35 -0.04 0.00 -1.82 0.00 0.00 70.33 67.66 1qwn n THR 305 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1qwn s ILE 306 N -0.13 4.27 0.25 12.58 -1.09 -1.26 -4.97 121.20 130.84 1qwn s ILE 306 Ca 0.69 1.83 0.01 0.00 -2.23 0.00 0.00 60.65 60.94 1qwn s ILE 306 Cb -0.69 -4.17 -0.04 0.00 -1.58 0.00 0.00 42.46 35.98 1qwn s ILE 306 CO 0.51 0.25 0.13 -0.94 -1.23 0.00 0.00 174.94 173.66 1qwn s SER 307 N 0.26 0.95 0.54 3.58 1.04 -1.26 -5.00 113.70 113.82 1qwn s SER 307 Ca 0.50 -1.44 0.32 0.00 0.48 0.00 0.00 55.95 55.81 1qwn s SER 307 Cb -0.26 0.30 1.49 0.00 0.10 0.00 0.00 66.02 67.65 1qwn s SER 307 CO 0.31 -0.81 2.05 0.44 0.98 0.00 0.00 173.24 176.21 1qwn h ASP 308 N 2.41 0.00 1.34 7.02 3.32 -2.00 0.23 116.42 128.74 1qwn h ASP 308 Ca -0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.69 1qwn h ASP 308 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 1qwn h ASP 308 CO 0.56 0.08 -0.27 1.56 -1.72 0.00 0.00 179.24 179.44 1qwn h GLN 309 N 0.00 0.00 0.00 3.56 7.50 -1.99 -3.35 115.11 120.83 1qwn h GLN 309 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 1qwn h GLN 309 Cb 0.41 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.94 1qwn h GLN 309 CO 0.01 0.00 0.00 0.27 -1.50 0.00 0.00 178.83 177.61 1qwn n ASN 310 N -2.39 0.46 0.17 1.46 0.23 -0.97 -4.78 115.26 109.43 1qwn n ASN 310 Ca 0.04 -0.73 0.05 0.00 -0.53 0.00 0.00 54.58 53.41 1qwn n ASN 310 Cb 0.46 0.47 0.48 0.00 -2.08 0.00 0.00 39.78 39.11 1qwn n ASN 310 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 1qwn h VAL 311 N 0.03 1.12 -0.23 3.53 3.04 -1.09 -0.66 116.25 122.00 1qwn h VAL 311 Ca 0.00 -0.54 -0.11 0.00 -1.01 0.00 0.00 66.70 65.05 1qwn h VAL 311 Cb 0.02 1.16 -0.00 0.00 -2.01 0.00 0.00 31.29 30.46 1qwn h VAL 311 CO 0.00 0.16 -0.27 0.00 -1.01 0.00 0.00 177.57 176.46 1qwn h ALA 312 N 1.78 0.34 -0.34 3.17 0.00 -1.85 0.13 119.26 122.49 1qwn h ALA 312 Ca 0.03 -0.39 -0.12 0.00 0.00 0.00 0.00 54.91 54.43 1qwn h ALA 312 Cb 0.25 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1qwn h ALA 312 CO 0.01 0.33 -0.24 0.00 0.00 0.00 0.00 179.25 179.36 1qwn h ALA 313 N 0.65 0.49 -0.41 0.00 0.00 -1.79 -0.15 119.26 118.06 1qwn h ALA 313 Ca 0.03 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1qwn h ALA 313 Cb 0.84 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1qwn h ALA 313 CO 0.06 0.47 0.22 0.00 0.00 0.00 0.00 179.25 180.01 1qwn h ARG 314 N 0.54 0.57 -0.68 0.00 2.47 -1.13 -2.19 114.38 113.96 1qwn h ARG 314 Ca 0.07 -0.07 -0.05 0.00 -1.26 0.00 0.00 59.98 58.67 1qwn h ARG 314 Cb 0.80 -0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 28.98 1qwn h ARG 314 CO 0.07 0.46 0.24 0.77 0.56 0.00 0.00 179.97 182.07 1qwn h SER 315 N 0.52 0.97 -0.46 7.04 0.02 -0.61 -1.22 113.55 119.80 1qwn h SER 315 Ca 0.14 -0.19 -0.02 0.00 -0.84 0.00 0.00 61.79 60.88 1qwn h SER 315 Cb 0.06 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.32 1qwn h SER 315 CO -0.02 0.90 0.23 0.44 -1.14 0.00 0.00 176.83 177.24 1qwn h ASP 316 N 0.98 0.63 -0.24 3.07 3.32 -0.78 0.11 116.42 123.51 1qwn h ASP 316 Ca 0.22 -0.06 -0.12 0.00 0.02 0.00 0.00 57.03 57.09 1qwn h ASP 316 Cb 0.25 -0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 1qwn h ASP 316 CO -0.01 0.54 -0.32 -0.07 -1.72 0.00 0.00 179.24 177.66 1qwn h LEU 317 N 0.70 0.71 -0.19 1.55 3.38 -1.09 -2.73 115.31 117.64 1qwn h LEU 317 Ca 0.17 -0.50 -0.10 0.00 0.09 0.00 0.00 57.88 57.54 1qwn h LEU 317 Cb 0.09 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.64 1qwn h LEU 317 CO -0.02 1.07 -0.27 0.25 0.09 0.00 0.00 178.44 179.55 1qwn h LEU 318 N 0.36 0.56 -1.11 1.67 5.85 -0.73 -2.59 115.31 119.32 1qwn h LEU 318 Ca 0.03 -0.52 -0.04 0.00 0.84 0.00 0.00 57.88 58.18 1qwn h LEU 318 Cb 0.90 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.75 1qwn h LEU 318 CO 0.08 0.97 0.14 0.58 -0.34 0.00 0.00 178.44 179.86 1qwn h VAL 319 N 0.17 1.21 -0.62 1.05 2.07 -0.86 -0.88 116.25 118.39 1qwn h VAL 319 Ca 0.02 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 66.79 1qwn h VAL 319 Cb 0.85 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1qwn h VAL 319 CO 0.06 0.28 0.38 -0.78 0.02 0.00 0.00 177.57 177.54 1qwn h ASP 320 N 0.74 0.73 -0.43 0.57 1.82 -1.36 0.80 116.42 119.30 1qwn h ASP 320 Ca 0.17 -0.05 -0.01 0.00 -0.39 0.00 0.00 57.03 56.75 1qwn h ASP 320 Cb 0.25 -0.19 -0.02 0.00 0.68 0.00 0.00 39.33 40.06 1qwn h ASP 320 CO -0.00 0.57 0.22 1.56 -1.61 0.00 0.00 179.24 179.97 1qwn h GLN 321 N 0.84 0.61 -0.57 0.28 1.08 -0.97 -1.77 115.11 114.60 1qwn h GLN 321 Ca 0.22 -0.08 -0.00 0.00 -1.45 0.00 0.00 58.65 57.34 1qwn h GLN 321 Cb -0.04 -0.11 -0.03 0.00 -0.05 0.00 0.00 27.48 27.25 1qwn h GLN 321 CO -0.04 0.51 0.36 -1.49 -0.95 0.00 0.00 178.83 177.21 1qwn h TRP 322 N 0.55 0.74 0.00 2.96 6.55 -0.73 -0.82 115.95 125.20 1qwn h TRP 322 Ca 0.15 0.00 -0.09 0.00 0.95 0.00 0.00 58.89 59.91 1qwn h TRP 322 Cb 0.09 -0.25 -0.01 0.00 -0.86 0.00 0.00 29.16 28.13 1qwn h TRP 322 CO -0.02 0.50 -0.41 0.87 -1.05 0.00 0.00 178.44 178.33 1qwn h LYS 323 N 0.77 0.00 -0.16 0.49 1.57 -0.73 0.53 116.57 119.05 1qwn h LYS 323 Ca 0.21 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.93 1qwn h LYS 323 Cb -0.04 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 1qwn h LYS 323 CO -0.04 0.41 -0.11 0.87 -0.57 0.00 0.00 179.45 180.00 1qwn h LYS 324 N 0.00 0.35 -1.00 3.15 1.57 -0.89 -2.83 116.57 116.92 1qwn h LYS 324 Ca -0.00 -0.17 0.06 0.00 -1.87 0.00 0.00 60.65 58.67 1qwn h LYS 324 Cb 0.73 -0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.97 1qwn h LYS 324 CO 0.05 0.70 0.65 -0.22 -0.57 0.00 0.00 179.45 180.06 1qwn h LYS 325 N 0.00 1.16 0.00 3.15 3.64 -0.78 -1.95 116.57 121.79 1qwn h LYS 325 Ca 0.03 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1qwn h LYS 325 Cb 0.62 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1qwn h LYS 325 CO 0.03 0.76 -0.05 0.00 -2.27 0.00 0.00 179.45 177.93 1qwn h ALA 326 N 1.45 1.16 0.00 5.00 0.00 -0.78 -1.62 119.26 124.47 1qwn h ALA 326 Ca 0.43 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1qwn h ALA 326 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1qwn h ALA 326 CO -0.17 0.06 0.00 0.93 0.00 0.00 0.00 179.25 180.08 1qwn h GLU 327 N 0.00 0.00 -0.01 0.00 4.39 -1.10 -2.63 114.58 115.23 1qwn h GLU 327 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1qwn h GLU 327 Cb 0.24 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.89 1qwn h GLU 327 CO 0.01 0.00 -0.10 1.28 -1.16 0.00 0.00 179.01 179.03 1qwn n LEU 328 N -2.91 0.65 -4.43 1.33 4.77 -0.61 -4.91 117.00 110.90 1qwn n LEU 328 Ca -0.00 -0.11 -0.21 0.00 -0.03 0.00 0.00 56.01 55.66 1qwn n LEU 328 Cb 0.22 -0.13 -0.10 0.00 -2.33 0.00 0.00 43.42 41.07 1qwn n LEU 328 CO 0.23 0.12 -0.31 -0.31 -1.33 0.00 0.00 177.39 175.79 1qwn s TYR 329 N -2.36 1.91 -0.21 -1.77 1.51 -0.99 -4.45 117.35 110.99 1qwn s TYR 329 Ca 0.32 -0.87 0.22 0.00 -1.01 0.00 0.00 57.07 55.72 1qwn s TYR 329 Cb 0.20 -1.19 -0.16 0.00 -0.11 0.00 0.00 41.96 40.71 1qwn s TYR 329 CO 0.45 0.09 0.78 0.54 -1.11 0.00 0.00 175.55 176.29 1qwn n ARG 330 N -0.62 0.57 -3.45 -0.62 1.74 -1.26 -4.98 116.66 108.04 1qwn n ARG 330 Ca -0.04 -0.05 -0.23 0.00 -0.77 0.00 0.00 57.85 56.77 1qwn n ARG 330 Cb 0.65 -1.65 0.03 0.00 -1.02 0.00 0.00 32.46 30.48 1qwn n ARG 330 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1qwn s THR 331 N -3.41 1.85 -0.37 0.55 -4.23 -1.26 -4.73 115.64 104.05 1qwn s THR 331 Ca -0.03 -1.24 0.07 0.00 -1.18 0.00 0.00 61.69 59.31 1qwn s THR 331 Cb 0.12 -2.09 0.65 0.00 1.34 0.00 0.00 72.50 72.53 1qwn s THR 331 CO 0.85 0.00 1.74 -0.46 -0.54 0.00 0.00 174.62 176.21 1qwn n ASN 332 N -2.03 4.32 -4.17 3.99 6.94 -1.26 -4.84 115.26 118.21 1qwn n ASN 332 Ca 0.07 -3.19 -0.33 0.00 -0.02 0.00 0.00 54.58 51.11 1qwn n ASN 332 Cb 0.63 -0.75 -0.16 0.00 -2.36 0.00 0.00 39.78 37.15 1qwn n ASN 332 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1qwn s VAL 333 N -2.79 2.33 -0.10 3.53 1.01 -1.26 -0.68 120.40 122.45 1qwn s VAL 333 Ca 0.50 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.64 1qwn s VAL 333 Cb 0.40 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.78 1qwn s VAL 333 CO 0.12 0.52 -0.15 -0.22 0.00 0.00 0.00 175.10 175.36 1qwn s LEU 334 N 1.23 2.62 -0.22 3.92 2.96 0.74 -4.95 118.68 124.97 1qwn s LEU 334 Ca 0.03 -0.33 -0.15 0.00 -0.22 0.00 0.00 54.13 53.46 1qwn s LEU 334 Cb -0.14 -1.56 -0.04 0.00 0.50 0.00 0.00 46.19 44.95 1qwn s LEU 334 CO -0.09 0.22 0.35 -0.22 -1.32 0.00 0.00 176.35 175.29 1qwn s LEU 335 N 0.04 4.12 -0.44 -0.68 2.96 -1.26 -0.99 118.68 122.43 1qwn s LEU 335 Ca -0.06 0.40 0.03 0.00 -0.22 0.00 0.00 54.13 54.28 1qwn s LEU 335 Cb -0.15 -2.43 0.12 0.00 0.50 0.00 0.00 46.19 44.24 1qwn s LEU 335 CO 0.05 -0.08 0.20 -0.63 -1.32 0.00 0.00 176.35 174.57 1qwn s ILE 336 N 1.44 1.95 0.56 6.68 -1.09 0.16 -4.97 121.20 125.93 1qwn s ILE 336 Ca 0.16 -2.69 -0.21 0.00 -2.23 0.00 0.00 60.65 55.68 1qwn s ILE 336 Cb -0.15 -2.39 -0.04 0.00 -1.58 0.00 0.00 42.46 38.30 1qwn s ILE 336 CO 0.08 -0.78 1.29 -2.84 -1.23 0.00 0.00 174.94 171.46 1qwn s PRO 337 N 0.33 3.11 -0.38 2.79 0.02 -1.26 -0.72 135.00 138.88 1qwn s PRO 337 Ca 0.15 2.07 0.01 0.00 0.02 0.00 0.00 61.00 63.25 1qwn s PRO 337 Cb -0.23 -2.16 0.13 0.00 0.02 0.00 0.00 34.50 32.26 1qwn s PRO 337 CO -0.04 -1.16 0.21 -1.17 -0.33 0.00 0.00 177.00 174.51 1qwn s LEU 338 N -3.68 1.87 0.00 -5.54 2.96 0.15 -4.76 118.68 109.68 1qwn s LEU 338 Ca 0.73 -2.28 0.00 0.00 -0.22 0.00 0.00 54.13 52.36 1qwn s LEU 338 Cb -0.36 -0.74 0.00 0.00 0.50 0.00 0.00 46.19 45.59 1qwn s LEU 338 CO 0.42 -0.31 0.00 0.61 -1.32 0.00 0.00 176.35 175.75 1qwn n GLY 339 N 3.97 -1.29 0.41 7.98 0.00 -1.26 -1.53 105.19 113.46 1qwn n GLY 339 Ca 0.08 -1.02 -0.00 0.00 0.00 0.00 0.00 46.02 45.08 1qwn n GLY 339 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1qwn n ASP 340 N 0.34 -0.17 -4.71 1.61 -0.08 -1.25 -3.32 116.55 108.97 1qwn n ASP 340 Ca 0.00 -1.08 -0.42 0.00 -1.51 0.00 0.00 54.79 51.78 1qwn n ASP 340 Cb 0.00 0.28 -0.03 0.00 2.34 0.00 0.00 41.12 43.71 1qwn n ASP 340 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 1qwn s ASP 341 N -1.26 6.56 -1.71 1.67 1.11 -1.26 -1.37 116.67 120.40 1qwn s ASP 341 Ca 0.03 2.62 -0.19 0.00 0.18 0.00 0.00 52.55 55.19 1qwn s ASP 341 Cb -0.00 -2.58 0.16 0.00 1.07 0.00 0.00 42.92 41.56 1qwn s ASP 341 CO 0.00 -0.87 0.78 0.49 1.18 0.00 0.00 175.17 176.76 1qwn n PHE 342 N 4.53 -1.73 -2.07 4.23 3.01 0.41 -4.80 117.46 121.04 1qwn n PHE 342 Ca 0.15 0.80 -0.28 0.00 1.01 0.00 0.00 57.45 59.13 1qwn n PHE 342 Cb 0.39 -2.92 0.13 0.00 -0.01 0.00 0.00 39.48 37.07 1qwn n PHE 342 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1qwn s ARG 343 N -6.94 1.41 -1.27 -1.08 1.81 -1.14 -4.40 118.95 107.34 1qwn s ARG 343 Ca 0.74 -0.35 -0.04 0.00 -1.72 0.00 0.00 55.73 54.37 1qwn s ARG 343 Cb -0.41 -2.00 0.01 0.00 -0.45 0.00 0.00 34.95 32.10 1qwn s ARG 343 CO 0.93 -1.85 1.07 1.19 -0.68 0.00 0.00 175.30 175.96 1qwn n PHE 344 N -3.36 -2.46 0.00 -0.53 3.01 -1.26 -4.73 117.46 108.12 1qwn n PHE 344 Ca 0.12 0.97 0.00 0.00 1.01 0.00 0.00 57.45 59.55 1qwn n PHE 344 Cb 0.60 -5.05 0.00 0.00 -0.01 0.00 0.00 39.48 35.03 1qwn n PHE 344 CO 0.00 0.00 0.00 1.17 1.01 0.00 0.00 176.76 178.94 1qwn n LYS 345 N -4.49 0.00 -2.32 -1.08 4.81 -1.26 -4.42 118.16 109.40 1qwn n LYS 345 Ca -0.17 0.18 -0.40 0.00 -0.87 0.00 0.00 58.31 57.05 1qwn n LYS 345 Cb 0.63 -0.63 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 1qwn n LYS 345 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1qwn s GLN 346 N -0.83 4.38 0.29 1.64 -0.21 -1.26 -4.54 119.66 119.14 1qwn s GLN 346 Ca 0.00 1.93 0.03 0.00 0.02 0.00 0.00 55.36 57.34 1qwn s GLN 346 Cb 0.00 -2.99 0.64 0.00 1.00 0.00 0.00 33.01 31.65 1qwn s GLN 346 CO 0.00 -0.06 1.81 -0.91 -2.12 0.00 0.00 175.29 174.01 1qwn h ASN 347 N 3.33 0.87 0.17 5.90 2.35 -1.95 0.99 115.58 127.22 1qwn h ASN 347 Ca -0.48 0.07 -0.04 0.00 -0.55 0.00 0.00 56.30 55.30 1qwn h ASN 347 Cb 1.22 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 39.49 1qwn h ASN 347 CO 0.65 0.40 -0.18 0.71 -1.65 0.00 0.00 177.43 177.36 1qwn h THR 348 N 0.89 1.14 -0.19 2.81 1.35 -1.99 -1.75 112.91 115.17 1qwn h THR 348 Ca 0.53 -0.66 -0.12 0.00 -0.55 0.00 0.00 66.41 65.61 1qwn h THR 348 Cb 0.67 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1qwn h THR 348 CO -0.31 0.19 -0.35 -0.08 -0.25 0.00 0.00 175.52 174.72 1qwn h GLU 349 N 0.02 0.57 -0.47 4.72 4.81 0.63 -1.18 114.58 123.68 1qwn h GLU 349 Ca 0.00 -0.36 0.07 0.00 -0.13 0.00 0.00 59.36 58.94 1qwn h GLU 349 Cb 0.34 0.04 -0.06 0.00 0.63 0.00 0.00 28.75 29.70 1qwn h GLU 349 CO 0.02 0.97 0.15 -1.49 -0.73 0.00 0.00 179.01 177.93 1qwn h TRP 350 N 0.23 0.26 -0.30 0.92 4.06 -0.94 -1.71 115.95 118.47 1qwn h TRP 350 Ca 0.01 0.03 -0.02 0.00 2.06 0.00 0.00 58.89 60.96 1qwn h TRP 350 Cb 0.94 -0.04 -0.01 0.00 -1.00 0.00 0.00 29.16 29.04 1qwn h TRP 350 CO 0.09 0.07 0.09 -0.44 -3.56 0.00 0.00 178.44 174.69 1qwn h ASP 351 N 0.31 0.43 -0.27 -3.49 3.32 -1.28 -1.07 116.42 114.37 1qwn h ASP 351 Ca 0.23 -0.21 -0.10 0.00 0.02 0.00 0.00 57.03 56.97 1qwn h ASP 351 Cb 0.25 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.67 1qwn h ASP 351 CO -0.25 0.53 -0.18 1.62 -1.72 0.00 0.00 179.24 179.23 1qwn h VAL 352 N 0.32 1.26 -0.03 -1.35 3.04 -0.94 0.04 116.25 118.59 1qwn h VAL 352 Ca 0.10 -1.26 -0.04 0.00 -1.01 0.00 0.00 66.70 64.48 1qwn h VAL 352 Cb 0.25 1.17 0.00 0.00 -2.01 0.00 0.00 31.29 30.70 1qwn h VAL 352 CO -0.00 0.42 -0.16 1.56 -1.01 0.00 0.00 177.57 178.38 1qwn h GLN 353 N 0.64 0.16 -0.17 4.17 1.08 -1.28 -3.12 115.11 116.60 1qwn h GLN 353 Ca 0.10 -0.13 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 1qwn h GLN 353 Cb 0.66 0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.11 1qwn h GLN 353 CO 0.05 0.79 0.08 -0.09 -0.95 0.00 0.00 178.83 178.71 1qwn h ARG 354 N -0.43 0.25 -0.47 1.46 2.43 -1.06 -2.10 114.38 114.46 1qwn h ARG 354 Ca -0.01 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.02 1qwn h ARG 354 Cb 0.82 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 30.31 1qwn h ARG 354 CO 0.03 0.30 -0.08 0.28 -1.51 0.00 0.00 179.97 178.99 1qwn h VAL 355 N 0.14 1.27 -0.54 0.20 2.07 -1.13 0.12 116.25 118.38 1qwn h VAL 355 Ca 0.06 -1.19 -0.08 0.00 0.82 0.00 0.00 66.70 66.31 1qwn h VAL 355 Cb 0.13 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 1qwn h VAL 355 CO -0.01 0.41 0.02 0.78 0.02 0.00 0.00 177.57 178.80 1qwn h ASN 356 N 0.72 0.91 -0.25 0.57 2.35 -1.54 -1.91 115.58 116.43 1qwn h ASN 356 Ca 0.12 -0.30 -0.13 0.00 -0.55 0.00 0.00 56.30 55.45 1qwn h ASN 356 Cb 0.62 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 1qwn h ASN 356 CO 0.04 0.98 -0.29 1.88 -1.65 0.00 0.00 177.43 178.39 1qwn h TYR 357 N 0.81 0.87 -0.84 1.19 -1.99 -1.22 -2.03 116.97 113.76 1qwn h TYR 357 Ca 0.15 -0.22 0.01 0.00 2.00 0.00 0.00 58.73 60.68 1qwn h TYR 357 Cb 0.50 -0.20 -0.04 0.00 2.00 0.00 0.00 36.73 38.99 1qwn h TYR 357 CO 0.04 0.95 0.56 0.93 -0.00 0.00 0.00 178.16 180.64 1qwn h GLU 358 N 0.65 1.10 -0.64 4.88 5.08 -0.55 0.45 114.58 125.54 1qwn h GLU 358 Ca 0.08 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 1qwn h GLU 358 Cb 0.81 -0.25 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 1qwn h GLU 358 CO 0.07 0.73 0.07 0.00 -1.00 0.00 0.00 179.01 178.87 1qwn h ARG 359 N 1.13 1.09 -0.32 2.33 3.08 -0.99 -1.10 114.38 119.60 1qwn h ARG 359 Ca 0.31 -0.31 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 1qwn h ARG 359 Cb -0.12 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.80 1qwn h ARG 359 CO -0.07 1.02 0.11 -0.07 -1.07 0.00 0.00 179.97 179.89 1qwn h LEU 360 N 1.01 0.46 -0.63 3.04 3.38 -0.70 -2.38 115.31 119.49 1qwn h LEU 360 Ca 0.19 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 1qwn h LEU 360 Cb 0.49 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1qwn h LEU 360 CO 0.02 0.54 0.36 -0.26 0.09 0.00 0.00 178.44 179.19 1qwn h PHE 361 N 0.37 0.85 -0.61 1.13 0.05 -0.73 0.45 116.94 118.45 1qwn h PHE 361 Ca 0.10 -0.01 -0.01 0.00 3.82 0.00 0.00 57.97 61.87 1qwn h PHE 361 Cb 0.24 -0.28 -0.03 0.00 2.00 0.00 0.00 35.95 37.88 1qwn h PHE 361 CO 0.00 0.60 0.33 1.49 -0.18 0.00 0.00 178.31 180.55 1qwn h GLU 362 N 0.86 0.85 0.18 1.51 4.81 -1.11 -0.13 114.58 121.54 1qwn h GLU 362 Ca 0.22 -0.10 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1qwn h GLU 362 Cb 0.01 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.23 1qwn h GLU 362 CO -0.04 0.65 -0.08 1.25 -0.73 0.00 0.00 179.01 180.06 1qwn h HIS 363 N 0.82 -0.22 -0.43 0.92 2.76 -1.15 -2.99 115.15 114.86 1qwn h HIS 363 Ca 0.21 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.40 1qwn h HIS 363 Cb 0.05 0.07 -0.03 0.00 1.55 0.00 0.00 27.41 29.05 1qwn h HIS 363 CO -0.01 0.13 0.24 0.82 -1.30 0.00 0.00 177.93 177.81 1qwn h ILE 364 N -0.60 1.03 0.00 6.26 2.04 -0.82 -1.68 117.51 123.75 1qwn h ILE 364 Ca -0.02 -0.17 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1qwn h ILE 364 Cb 0.44 0.49 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1qwn h ILE 364 CO 0.04 0.09 0.00 0.78 0.00 0.00 0.00 178.15 179.06 1qwn h ASN 365 N 0.49 0.00 0.08 1.72 2.35 -1.10 -2.67 115.58 116.45 1qwn h ASN 365 Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.92 1qwn h ASN 365 Cb 0.03 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.40 1qwn h ASN 365 CO -0.09 0.00 -0.59 -1.54 -1.65 0.00 0.00 177.43 173.56 1qwn n SER 366 N -2.66 1.42 -4.26 5.81 3.41 -0.68 -4.75 113.62 111.92 1qwn n SER 366 Ca 0.01 -1.14 -0.44 0.00 -0.26 0.00 0.00 58.87 57.04 1qwn n SER 366 Cb 0.25 0.55 -0.05 0.00 -0.26 0.00 0.00 64.21 64.70 1qwn n SER 366 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 1qwn s GLN 367 N -2.68 3.03 0.44 4.33 -1.52 -0.89 -4.94 119.66 117.42 1qwn s GLN 367 Ca 0.16 -2.12 0.21 0.00 -1.95 0.00 0.00 55.36 51.65 1qwn s GLN 367 Cb 0.18 -4.17 1.16 0.00 -0.22 0.00 0.00 33.01 29.96 1qwn s GLN 367 CO 0.66 -1.26 1.84 0.00 -0.25 0.00 0.00 175.29 176.28 1qwn h ALA 368 N 8.10 2.34 -0.07 6.09 0.00 -1.85 -1.25 119.26 132.61 1qwn h ALA 368 Ca -0.09 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.86 1qwn h ALA 368 Cb 1.05 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1qwn h ALA 368 CO 0.84 -0.65 0.15 1.12 0.00 0.00 0.00 179.25 180.71 1qwn h HIS 369 N 0.33 0.00 0.00 0.00 2.07 -1.93 -0.61 115.15 115.00 1qwn h HIS 369 Ca 0.50 0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 57.86 1qwn h HIS 369 Cb 1.37 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.33 1qwn h HIS 369 CO -0.00 0.00 -0.75 0.74 -3.07 0.00 0.00 177.93 174.85 1qwn h PHE 370 N 0.00 0.00 -6.08 6.12 0.05 -1.53 -3.48 116.94 112.02 1qwn h PHE 370 Ca 0.04 0.00 -0.42 0.00 3.82 0.00 0.00 57.97 61.41 1qwn h PHE 370 Cb 0.33 0.00 0.05 0.00 2.00 0.00 0.00 35.95 38.33 1qwn h PHE 370 CO 0.00 0.75 -0.81 0.09 -0.18 0.00 0.00 178.31 178.15 1qwn n ASN 371 N -3.35 -1.77 -4.07 2.17 3.02 -0.24 -4.88 115.26 106.14 1qwn n ASN 371 Ca 0.01 -0.79 -0.20 0.00 -0.03 0.00 0.00 54.58 53.56 1qwn n ASN 371 Cb 0.81 -4.13 -0.14 0.00 -0.61 0.00 0.00 39.78 35.71 1qwn n ASN 371 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1qwn s VAL 372 N -3.60 0.92 -0.26 2.41 1.01 -1.26 -1.13 120.40 118.49 1qwn s VAL 372 Ca 0.10 -0.59 0.02 0.00 0.00 0.00 0.00 61.98 61.51 1qwn s VAL 372 Cb -0.05 -0.78 0.06 0.00 0.00 0.00 0.00 36.38 35.61 1qwn s VAL 372 CO 0.81 0.19 -0.07 -1.58 0.00 0.00 0.00 175.10 174.44 1qwn s GLN 373 N -0.45 1.92 -0.01 2.72 2.00 -0.43 -4.33 119.66 121.07 1qwn s GLN 373 Ca 0.03 -1.24 0.04 0.00 -2.00 0.00 0.00 55.36 52.19 1qwn s GLN 373 Cb -0.05 -2.78 -0.03 0.00 0.80 0.00 0.00 33.01 30.95 1qwn s GLN 373 CO -0.00 -0.62 -0.12 0.00 -0.50 0.00 0.00 175.29 174.06 1qwn s ALA 374 N 1.21 2.80 0.20 1.58 0.00 -1.26 -1.05 121.76 125.23 1qwn s ALA 374 Ca -0.06 -1.03 -0.22 0.00 0.00 0.00 0.00 51.96 50.64 1qwn s ALA 374 Cb -0.19 -1.00 0.05 0.00 0.00 0.00 0.00 23.12 21.98 1qwn s ALA 374 CO -0.06 0.58 0.64 1.14 0.00 0.00 0.00 175.76 178.06 1qwn s GLN 375 N -1.13 1.44 0.39 0.00 0.00 -0.44 -4.89 119.66 115.02 1qwn s GLN 375 Ca 0.14 -0.63 -0.25 0.00 -0.00 0.00 0.00 55.36 54.62 1qwn s GLN 375 Cb -0.11 0.59 -0.09 0.00 0.00 0.00 0.00 33.01 33.41 1qwn s GLN 375 CO 0.04 -0.64 1.14 -0.06 0.00 0.00 0.00 175.29 175.77 1qwn s PHE 376 N -3.80 3.15 0.34 9.60 2.99 -1.26 -0.80 117.98 128.20 1qwn s PHE 376 Ca 0.04 1.58 -0.06 0.00 0.00 0.00 0.00 56.93 58.49 1qwn s PHE 376 Cb -0.03 -3.34 0.01 0.00 0.00 0.00 0.00 43.02 39.67 1qwn s PHE 376 CO -0.07 -1.13 0.53 0.20 -0.00 0.00 0.00 175.22 174.75 1qwn s GLY 377 N -1.18 1.19 0.44 4.36 0.00 0.18 -4.78 107.32 107.54 1qwn s GLY 377 Ca 0.56 -1.32 0.07 0.00 0.00 0.00 0.00 44.72 44.03 1qwn s GLY 377 CO 0.37 -0.84 0.34 -0.51 0.00 0.00 0.00 173.10 172.46 1qwn s THR 378 N -3.02 2.35 0.14 0.90 -4.23 -1.26 -4.20 115.64 106.32 1qwn s THR 378 Ca 0.27 -1.46 -0.15 0.00 -1.18 0.00 0.00 61.69 59.17 1qwn s THR 378 Cb -0.01 -2.81 0.01 0.00 1.34 0.00 0.00 72.50 71.03 1qwn s THR 378 CO 0.18 0.00 1.69 0.25 -0.54 0.00 0.00 174.62 176.19 1qwn h LEU 379 N 1.06 0.60 -1.07 4.79 5.85 -1.96 -2.33 115.31 122.25 1qwn h LEU 379 Ca -0.41 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.10 1qwn h LEU 379 Cb 1.27 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.12 1qwn h LEU 379 CO 0.60 0.61 0.19 -0.61 -0.34 0.00 0.00 178.44 178.89 1qwn h GLN 380 N 0.56 0.86 -0.70 1.25 5.75 -1.96 -1.72 115.11 119.15 1qwn h GLN 380 Ca 0.14 -0.15 -0.02 0.00 -0.15 0.00 0.00 58.65 58.47 1qwn h GLN 380 Cb 0.20 -0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.57 1qwn h GLN 380 CO -0.01 0.73 0.36 0.93 -2.65 0.00 0.00 178.83 178.19 1qwn h GLU 381 N 0.84 0.99 0.15 1.69 5.08 -1.90 0.12 114.58 121.55 1qwn h GLU 381 Ca 0.19 -0.13 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1qwn h GLU 381 Cb 0.22 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1qwn h GLU 381 CO -0.01 0.76 -0.11 -0.92 -1.00 0.00 0.00 179.01 177.73 1qwn h TYR 382 N 0.97 -0.28 -0.57 4.33 3.20 -0.87 -2.16 116.97 121.60 1qwn h TYR 382 Ca 0.24 -0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.03 1qwn h TYR 382 Cb 0.07 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 1qwn h TYR 382 CO 0.00 -0.17 0.04 0.74 -1.64 0.00 0.00 178.16 177.13 1qwn h PHE 383 N -0.26 1.01 -0.94 -3.82 -1.00 -1.02 -0.43 116.94 110.48 1qwn h PHE 383 Ca -0.01 -0.14 0.02 0.00 2.81 0.00 0.00 57.97 60.65 1qwn h PHE 383 Cb 0.23 -0.27 -0.05 0.00 3.61 0.00 0.00 35.95 39.46 1qwn h PHE 383 CO -0.10 0.88 0.62 -0.44 -1.61 0.00 0.00 178.31 177.67 1qwn h ASP 384 N 0.88 1.05 -0.44 2.17 3.32 -0.65 -1.30 116.42 121.45 1qwn h ASP 384 Ca 0.17 -0.02 -0.14 0.00 0.02 0.00 0.00 57.03 57.06 1qwn h ASP 384 Cb 0.46 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1qwn h ASP 384 CO 0.02 0.74 -0.28 0.00 -1.72 0.00 0.00 179.24 177.99 1qwn h ALA 385 N 1.37 0.63 -0.58 3.45 0.00 -0.87 -0.90 119.26 122.35 1qwn h ALA 385 Ca 0.36 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1qwn h ALA 385 Cb -0.06 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1qwn h ALA 385 CO -0.10 0.67 0.38 0.28 0.00 0.00 0.00 179.25 180.48 1qwn h VAL 386 N 0.82 1.15 0.00 0.00 2.07 -0.66 -1.76 116.25 117.86 1qwn h VAL 386 Ca 0.09 -0.28 -0.11 0.00 0.82 0.00 0.00 66.70 67.22 1qwn h VAL 386 Cb 0.87 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.93 1qwn h VAL 386 CO 0.08 0.15 -0.50 0.45 0.02 0.00 0.00 177.57 177.76 1qwn h HIS 387 N 0.78 0.00 -0.70 1.57 -0.00 -1.07 -0.76 115.15 114.97 1qwn h HIS 387 Ca 0.21 0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.53 1qwn h HIS 387 Cb -0.08 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.30 1qwn h HIS 387 CO -0.03 0.50 0.22 1.96 -0.00 0.00 0.00 177.93 180.58 1qwn h GLN 388 N 0.00 1.09 -0.58 2.45 4.20 -0.76 -0.17 115.11 121.34 1qwn h GLN 388 Ca -0.01 -0.23 -0.08 0.00 0.06 0.00 0.00 58.65 58.39 1qwn h GLN 388 Cb 0.95 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.55 1qwn h GLN 388 CO 0.07 0.94 0.04 0.00 -0.67 0.00 0.00 178.83 179.20 1qwn h ALA 389 N 1.10 0.78 -0.01 3.87 0.00 -0.77 -1.56 119.26 122.68 1qwn h ALA 389 Ca 0.23 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1qwn h ALA 389 Cb 0.30 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1qwn h ALA 389 CO -0.01 0.58 -0.01 1.49 0.00 0.00 0.00 179.25 181.30 1qwn h GLU 390 N 0.90 -0.02 0.00 0.00 4.81 -0.86 -1.13 114.58 118.28 1qwn h GLU 390 Ca 0.17 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 1qwn h GLU 390 Cb 0.50 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 1qwn h GLU 390 CO 0.02 -0.01 -0.12 0.00 -0.73 0.00 0.00 179.01 178.17 1qwn h ARG 391 N -0.02 0.00 -0.00 1.92 3.08 -0.85 0.13 114.38 118.64 1qwn h ARG 391 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1qwn h ARG 391 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.08 1qwn h ARG 391 CO -0.02 0.12 -0.00 0.00 -1.07 0.00 0.00 179.97 179.01 1qwn n ALA 392 N -2.28 2.68 -0.99 0.04 0.00 -0.60 -4.86 120.51 114.50 1qwn n ALA 392 Ca -0.02 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.22 1qwn n ALA 392 Cb 0.24 -1.51 0.00 0.00 0.00 0.00 0.00 19.45 18.19 1qwn n ALA 392 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qwn n GLY 393 N 1.01 0.39 0.04 0.00 0.00 0.44 -4.94 105.19 102.13 1qwn n GLY 393 Ca 0.24 -1.07 0.13 0.00 0.00 0.00 0.00 46.02 45.31 1qwn n GLY 393 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qwn n GLN 394 N -2.95 0.15 -3.50 1.61 10.64 -0.48 -4.91 117.38 117.94 1qwn n GLN 394 Ca 0.00 -0.07 -0.16 0.00 -1.83 0.00 0.00 57.00 54.94 1qwn n GLN 394 Cb 0.01 -1.50 -0.05 0.00 -0.86 0.00 0.00 30.24 27.84 1qwn n GLN 394 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1qwn s ALA 395 N -2.90 -1.73 0.05 2.61 0.00 -1.26 -4.86 121.76 113.67 1qwn s ALA 395 Ca 0.14 1.10 0.05 0.00 0.00 0.00 0.00 51.96 53.25 1qwn s ALA 395 Cb 0.18 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 23.49 1qwn s ALA 395 CO 0.64 -0.48 -0.14 -1.83 0.00 0.00 0.00 175.76 173.94 1qwn s GLU 396 N -1.93 0.86 0.04 0.00 -1.05 -1.26 -4.63 118.70 110.72 1qwn s GLU 396 Ca -0.07 -0.83 0.05 0.00 -0.15 0.00 0.00 54.97 53.97 1qwn s GLU 396 Cb -0.00 -0.86 -0.04 0.00 -0.44 0.00 0.00 34.13 32.79 1qwn s GLU 396 CO 0.03 0.20 -0.09 -0.06 0.95 0.00 0.00 175.26 176.29 1qwn s PHE 397 N -1.04 2.80 0.65 4.83 0.40 -1.26 -5.06 117.98 119.30 1qwn s PHE 397 Ca -0.00 -0.11 -0.13 0.00 -0.60 0.00 0.00 56.93 56.09 1qwn s PHE 397 Cb -0.09 -1.54 -0.01 0.00 0.51 0.00 0.00 43.02 41.90 1qwn s PHE 397 CO 0.02 0.37 1.06 -1.25 0.70 0.00 0.00 175.22 176.11 1qwn s PRO 398 N -1.65 3.07 0.07 0.24 0.04 -1.26 -4.79 135.00 130.72 1qwn s PRO 398 Ca 0.18 1.09 -0.03 0.00 0.04 0.00 0.00 61.00 62.28 1qwn s PRO 398 Cb -0.11 -2.00 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 1qwn s PRO 398 CO 0.09 -1.00 0.28 0.95 0.04 0.00 0.00 177.00 177.36 1qwn s THR 399 N -2.76 5.30 -0.06 1.26 -4.23 -1.26 -0.78 115.64 113.12 1qwn s THR 399 Ca 0.61 -0.11 -0.08 0.00 -1.18 0.00 0.00 61.69 60.93 1qwn s THR 399 Cb -0.15 -3.61 0.02 0.00 1.34 0.00 0.00 72.50 70.10 1qwn s THR 399 CO 0.46 0.16 0.20 -0.22 -0.54 0.00 0.00 174.62 174.69 1qwn s LEU 400 N -2.36 1.26 0.09 4.79 0.20 -0.45 -1.34 118.68 120.87 1qwn s LEU 400 Ca 0.35 0.28 0.02 0.00 0.69 0.00 0.00 54.13 55.47 1qwn s LEU 400 Cb -0.13 0.72 -0.04 0.00 -0.43 0.00 0.00 46.19 46.32 1qwn s LEU 400 CO 0.24 -0.15 -0.07 -0.94 -0.29 0.00 0.00 176.35 175.14 1qwn s SER 401 N -0.25 1.09 0.00 3.68 1.04 -0.42 -0.97 113.70 117.88 1qwn s SER 401 Ca -0.03 -0.92 0.00 0.00 0.48 0.00 0.00 55.95 55.48 1qwn s SER 401 Cb -0.03 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.17 1qwn s SER 401 CO 0.01 -0.41 0.00 0.61 0.98 0.00 0.00 173.24 174.43 1qwn n GLY 402 N 0.25 0.40 3.61 7.32 0.00 -1.26 -1.17 105.19 114.35 1qwn n GLY 402 Ca -0.14 -2.24 -0.29 0.00 0.00 0.00 0.00 46.02 43.35 1qwn n GLY 402 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1qwn s ASP 403 N -4.00 3.34 -0.43 1.61 -4.77 -1.26 -4.37 116.67 106.79 1qwn s ASP 403 Ca 0.00 -1.72 0.09 0.00 -3.30 0.00 0.00 52.55 47.62 1qwn s ASP 403 Cb 0.00 0.63 0.41 0.00 -1.09 0.00 0.00 42.92 42.87 1qwn s ASP 403 CO 0.00 -0.97 1.01 0.49 0.70 0.00 0.00 175.17 176.40 1qwn n PHE 404 N -1.08 2.66 -4.35 2.11 3.01 -0.21 -4.90 117.46 114.71 1qwn n PHE 404 Ca -0.11 -3.24 -0.26 0.00 1.01 0.00 0.00 57.45 54.85 1qwn n PHE 404 Cb 0.65 -0.25 -0.13 0.00 -0.01 0.00 0.00 39.48 39.74 1qwn n PHE 404 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1qwn s PHE 405 N -3.33 2.04 -0.13 1.38 0.40 -1.26 -2.68 117.98 114.40 1qwn s PHE 405 Ca 0.42 -0.40 -0.15 0.00 -0.60 0.00 0.00 56.93 56.20 1qwn s PHE 405 Cb 0.39 -1.12 -0.05 0.00 0.51 0.00 0.00 43.02 42.76 1qwn s PHE 405 CO -0.11 0.27 0.34 0.99 0.70 0.00 0.00 175.22 177.41 1qwn s THR 406 N -1.10 5.26 0.37 0.64 2.01 -1.26 -5.10 115.64 116.45 1qwn s THR 406 Ca 0.10 0.66 -0.27 0.00 0.31 0.00 0.00 61.69 62.49 1qwn s THR 406 Cb -0.10 -3.68 -0.09 0.00 0.01 0.00 0.00 72.50 68.64 1qwn s THR 406 CO 0.05 0.40 1.26 -0.47 -0.69 0.00 0.00 174.62 175.16 1qwn s TYR 407 N 0.32 3.03 -0.03 4.92 5.04 -1.26 -4.80 117.35 124.56 1qwn s TYR 407 Ca 0.19 1.47 0.01 0.00 -2.44 0.00 0.00 57.07 56.31 1qwn s TYR 407 Cb -0.14 -3.58 0.01 0.00 0.35 0.00 0.00 41.96 38.61 1qwn s TYR 407 CO 0.06 -1.69 -0.06 0.00 -1.34 0.00 0.00 175.55 172.52 1qwn s ALA 408 N -1.24 0.68 -0.26 3.97 0.00 -1.26 -0.67 121.76 122.98 1qwn s ALA 408 Ca 0.53 -0.14 0.23 0.00 0.00 0.00 0.00 51.96 52.58 1qwn s ALA 408 Cb -0.36 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.39 1qwn s ALA 408 CO 0.47 0.05 0.99 -0.40 0.00 0.00 0.00 175.76 176.87 1qwn n ASP 409 N 3.70 0.73 -3.55 0.00 5.75 -1.22 -2.64 116.55 119.32 1qwn n ASP 409 Ca -0.22 0.24 -0.10 0.00 -0.01 0.00 0.00 54.79 54.70 1qwn n ASP 409 Cb 0.53 0.63 -0.04 0.00 -1.03 0.00 0.00 41.12 41.21 1qwn n ASP 409 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1qwn s ARG 410 N -3.36 0.66 0.00 0.11 1.70 -1.26 -4.78 118.95 112.03 1qwn s ARG 410 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 55.73 55.26 1qwn s ARG 410 Cb 0.11 0.31 0.00 0.00 -0.57 0.00 0.00 34.95 34.80 1qwn s ARG 410 CO 0.80 -0.24 0.00 0.45 -1.08 0.00 0.00 175.30 175.23 1qwn n SER 411 N 0.41 0.00 -1.47 -2.89 2.88 -1.26 -0.94 113.62 110.35 1qwn n SER 411 Ca -0.10 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.52 1qwn n SER 411 Cb 0.59 0.00 0.34 0.00 -0.75 0.00 0.00 64.21 64.39 1qwn n SER 411 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 1qwn n ASP 412 N 1.61 4.93 -4.53 -3.46 5.75 -1.26 -4.86 116.55 114.73 1qwn n ASP 412 Ca 0.00 -2.93 -0.43 0.00 -0.01 0.00 0.00 54.79 51.42 1qwn n ASP 412 Cb 0.00 -0.62 -0.01 0.00 -1.03 0.00 0.00 41.12 39.47 1qwn n ASP 412 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 1qwn s ASN 413 N -1.25 6.87 -0.06 -1.12 0.02 -0.11 -4.97 114.94 114.31 1qwn s ASN 413 Ca 0.49 -2.50 -0.21 0.00 -1.02 0.00 0.00 52.86 49.62 1qwn s ASN 413 Cb 0.38 -2.50 -0.04 0.00 0.02 0.00 0.00 41.25 39.10 1qwn s ASN 413 CO 0.14 -1.05 0.62 -0.31 0.02 0.00 0.00 177.10 176.52 1qwn s TYR 414 N 3.29 3.60 -1.41 2.20 1.51 -1.26 -3.40 117.35 121.87 1qwn s TYR 414 Ca 0.48 1.16 -0.07 0.00 -1.01 0.00 0.00 57.07 57.63 1qwn s TYR 414 Cb 0.01 -2.69 0.06 0.00 -0.11 0.00 0.00 41.96 39.22 1qwn s TYR 414 CO 0.02 0.18 2.54 0.91 -1.11 0.00 0.00 175.55 178.09 1qwn n TRP 415 N 3.44 2.56 0.94 2.71 7.02 0.16 -3.00 117.44 131.28 1qwn n TRP 415 Ca -0.04 -2.90 0.10 0.00 -1.02 0.00 0.00 57.50 53.64 1qwn n TRP 415 Cb 0.51 -2.03 0.00 0.00 -2.42 0.00 0.00 31.31 27.37 1qwn n TRP 415 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1qwn n SER 416 N 2.33 2.03 -0.16 -0.99 3.41 -1.22 -4.39 113.62 114.63 1qwn n SER 416 Ca 0.67 -1.51 -0.07 0.00 -0.26 0.00 0.00 58.87 57.69 1qwn n SER 416 Cb 0.24 0.44 0.09 0.00 -0.26 0.00 0.00 64.21 64.72 1qwn n SER 416 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 1qwn h GLY 417 N 4.57 1.00 1.46 5.00 0.00 -1.23 -2.88 103.07 110.98 1qwn h GLY 417 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 46.60 1qwn h GLY 417 CO 0.00 0.67 0.00 1.58 0.00 0.00 0.00 176.54 178.79 1qwn n TYR 418 N -4.18 0.00 0.35 5.60 0.18 -1.08 -1.41 117.16 116.62 1qwn n TYR 418 Ca 0.02 0.00 0.13 0.00 1.88 0.00 0.00 57.90 59.93 1qwn n TYR 418 Cb 0.34 -0.23 0.54 0.00 -0.38 0.00 0.00 39.34 39.61 1qwn n TYR 418 CO 0.00 0.00 0.00 1.88 -2.08 0.00 0.00 176.86 176.66 1qwn h TYR 419 N 0.00 0.00 0.00 -3.48 0.99 -1.78 -3.33 116.97 109.37 1qwn h TYR 419 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1qwn h TYR 419 Cb 0.14 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.87 1qwn h TYR 419 CO 0.00 0.00 -0.78 2.41 -0.00 0.00 0.00 178.16 179.79 1qwn n THR 420 N -2.35 0.00 -1.58 -2.88 -1.04 -0.50 -2.49 114.28 103.43 1qwn n THR 420 Ca 0.01 0.00 -0.46 0.00 -2.04 0.00 0.00 64.05 61.57 1qwn n THR 420 Cb 0.21 -0.31 -0.02 0.00 -1.82 0.00 0.00 70.33 68.39 1qwn n THR 420 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1qwn n SER 421 N -1.48 1.20 -3.53 8.00 7.64 -0.87 -2.66 113.62 121.92 1qwn n SER 421 Ca 0.00 1.17 -0.25 0.00 1.01 0.00 0.00 58.87 60.80 1qwn n SER 421 Cb 0.24 -1.26 0.05 0.00 -1.01 0.00 0.00 64.21 62.23 1qwn n SER 421 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1qwn n ARG 422 N 1.00 -1.51 0.27 1.43 3.00 -1.26 -4.02 116.66 115.57 1qwn n ARG 422 Ca 0.11 0.64 0.14 0.00 -0.01 0.00 0.00 57.85 58.73 1qwn n ARG 422 Cb 0.30 -4.62 0.72 0.00 0.00 0.00 0.00 32.46 28.86 1qwn n ARG 422 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 1qwn h PRO 423 N -1.50 0.00 -0.67 5.56 0.13 -1.83 -2.47 132.00 131.22 1qwn h PRO 423 Ca -0.61 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.55 1qwn h PRO 423 Cb 1.33 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.42 1qwn h PRO 423 CO 0.46 0.10 0.42 -0.92 -0.23 0.00 0.00 178.00 177.83 1qwn h TYR 424 N 0.00 0.78 0.00 1.56 3.20 -1.90 -1.62 116.97 119.00 1qwn h TYR 424 Ca -0.00 0.02 -0.18 0.00 3.14 0.00 0.00 58.73 61.71 1qwn h TYR 424 Cb 0.42 -0.26 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 1qwn h TYR 424 CO 0.00 0.45 -0.85 0.45 -1.64 0.00 0.00 178.16 176.56 1qwn h HIS 425 N 0.82 0.00 -0.77 -3.82 3.86 -1.82 -1.00 115.15 112.42 1qwn h HIS 425 Ca 0.27 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.48 1qwn h HIS 425 Cb 0.03 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.46 1qwn h HIS 425 CO -0.05 0.85 0.49 0.87 0.86 0.00 0.00 177.93 180.96 1qwn h LYS 426 N 0.00 1.03 -0.33 2.45 1.57 -1.24 -0.45 116.57 119.60 1qwn h LYS 426 Ca -0.01 -0.08 -0.15 0.00 -1.87 0.00 0.00 60.65 58.55 1qwn h LYS 426 Cb 1.52 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 33.61 1qwn h LYS 426 CO 0.11 0.70 -0.36 -0.09 -0.57 0.00 0.00 179.45 179.24 1qwn h ARG 427 N 1.05 0.82 -0.89 3.15 9.65 -1.07 -3.07 114.38 124.02 1qwn h ARG 427 Ca 0.28 -0.45 0.08 0.00 -1.10 0.00 0.00 59.98 58.79 1qwn h ARG 427 Cb -0.08 0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 28.46 1qwn h ARG 427 CO -0.06 1.08 0.58 1.98 2.80 0.00 0.00 179.97 186.36 1qwn h MET 428 N 0.60 0.91 -0.54 0.20 4.05 -0.93 -1.64 114.93 117.59 1qwn h MET 428 Ca 0.05 -0.05 0.09 0.00 -0.28 0.00 0.00 59.70 59.50 1qwn h MET 428 Cb 0.95 -0.21 -0.07 0.00 -0.80 0.00 0.00 31.60 31.48 1qwn h MET 428 CO 0.09 0.60 0.14 0.22 0.23 0.00 0.00 176.91 178.19 1qwn h ASP 429 N 0.94 0.07 0.13 1.39 1.82 -0.98 0.01 116.42 119.80 1qwn h ASP 429 Ca 0.40 0.09 -0.14 0.00 -0.39 0.00 0.00 57.03 56.99 1qwn h ASP 429 Cb 0.32 0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.43 1qwn h ASP 429 CO -0.16 0.06 -0.51 0.03 -1.61 0.00 0.00 179.24 177.05 1qwn h ARG 430 N 0.29 0.43 0.04 0.28 2.47 -1.31 0.80 114.38 117.36 1qwn h ARG 430 Ca 0.27 -0.25 -0.00 0.00 -1.26 0.00 0.00 59.98 58.74 1qwn h ARG 430 Cb 0.36 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.70 1qwn h ARG 430 CO -0.33 0.83 -0.02 0.28 0.56 0.00 0.00 179.97 181.30 1qwn h VAL 431 N 0.34 1.11 -0.41 2.04 2.07 -0.95 -2.76 116.25 117.69 1qwn h VAL 431 Ca 0.01 -0.45 -0.06 0.00 0.82 0.00 0.00 66.70 67.02 1qwn h VAL 431 Cb 1.01 1.41 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 1qwn h VAL 431 CO 0.09 0.12 -0.01 0.25 0.02 0.00 0.00 177.57 178.04 1qwn h LEU 432 N -0.25 0.63 -0.48 2.57 5.85 -0.92 -1.35 115.31 121.36 1qwn h LEU 432 Ca -0.00 -0.14 0.10 0.00 0.84 0.00 0.00 57.88 58.67 1qwn h LEU 432 Cb 0.23 -0.17 -0.09 0.00 0.37 0.00 0.00 40.66 41.00 1qwn h LEU 432 CO 0.01 0.70 -0.14 -0.03 -0.34 0.00 0.00 178.44 178.64 1qwn h MET 433 N 0.63 -0.02 -0.30 1.25 4.05 -0.73 0.31 114.93 120.11 1qwn h MET 433 Ca 0.13 0.00 -0.09 0.00 -0.28 0.00 0.00 59.70 59.45 1qwn h MET 433 Cb 0.40 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.20 1qwn h MET 433 CO 0.02 -0.02 -0.18 1.25 0.23 0.00 0.00 176.91 178.21 1qwn h HIS 434 N -0.03 0.76 -0.52 1.39 -0.00 -1.15 -2.56 115.15 113.04 1qwn h HIS 434 Ca 0.23 -0.20 -0.03 0.00 -0.00 0.00 0.00 60.37 60.37 1qwn h HIS 434 Cb 0.38 -0.17 -0.02 0.00 -0.00 0.00 0.00 27.41 27.59 1qwn h HIS 434 CO -0.43 0.90 0.18 1.88 -0.00 0.00 0.00 177.93 180.46 1qwn h TYR 435 N 0.40 0.76 -0.23 5.26 -1.99 -0.79 0.43 116.97 120.82 1qwn h TYR 435 Ca 0.06 -0.04 -0.03 0.00 2.00 0.00 0.00 58.73 60.72 1qwn h TYR 435 Cb 0.72 -0.23 -0.01 0.00 2.00 0.00 0.00 36.73 39.21 1qwn h TYR 435 CO 0.06 0.61 0.02 0.28 -0.00 0.00 0.00 178.16 179.14 1qwn h VAL 436 N 0.74 1.24 -0.20 -2.88 2.07 -0.92 -0.27 116.25 116.04 1qwn h VAL 436 Ca 0.18 -0.82 0.01 0.00 0.82 0.00 0.00 66.70 66.89 1qwn h VAL 436 Cb 0.19 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 1qwn h VAL 436 CO -0.01 0.25 0.09 -0.09 0.02 0.00 0.00 177.57 177.83 1qwn h ARG 437 N 0.18 0.19 -0.61 1.57 2.43 -1.09 -0.72 114.38 116.33 1qwn h ARG 437 Ca 0.07 -0.01 -0.07 0.00 -0.81 0.00 0.00 59.98 59.16 1qwn h ARG 437 Cb 0.36 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.84 1qwn h ARG 437 CO 0.01 0.12 0.10 0.00 -1.51 0.00 0.00 179.97 178.70 1qwn h ALA 438 N 1.11 1.03 -0.38 2.80 0.00 -0.82 -0.68 119.26 122.33 1qwn h ALA 438 Ca 0.08 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1qwn h ALA 438 Cb 0.03 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1qwn h ALA 438 CO -0.06 0.62 -0.09 0.00 0.00 0.00 0.00 179.25 179.72 1qwn h ALA 439 N 1.18 0.52 -0.57 0.00 0.00 -0.83 0.39 119.26 119.94 1qwn h ALA 439 Ca 0.19 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1qwn h ALA 439 Cb 0.40 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1qwn h ALA 439 CO 0.01 0.38 0.01 0.93 0.00 0.00 0.00 179.25 180.57 1qwn h GLU 440 N 0.53 1.01 -0.03 0.00 5.08 -1.03 -2.39 114.58 117.74 1qwn h GLU 440 Ca 0.10 -0.32 -0.01 0.00 -1.00 0.00 0.00 59.36 58.12 1qwn h GLU 440 Cb 0.60 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.76 1qwn h GLU 440 CO 0.04 1.00 -0.03 1.98 -1.00 0.00 0.00 179.01 181.00 1qwn h MET 441 N 0.90 0.08 -0.79 2.33 4.05 -1.00 -2.21 114.93 118.28 1qwn h MET 441 Ca 0.16 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.54 1qwn h MET 441 Cb 0.54 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.30 1qwn h MET 441 CO 0.03 0.53 0.50 -0.07 0.23 0.00 0.00 176.91 178.13 1qwn h LEU 442 N -0.37 0.92 0.00 3.39 3.38 -0.95 -2.26 115.31 119.43 1qwn h LEU 442 Ca 0.01 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1qwn h LEU 442 Cb 0.51 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1qwn h LEU 442 CO 0.01 0.69 -0.35 -1.54 0.09 0.00 0.00 178.44 177.33 1qwn n SER 443 N -4.40 0.49 0.21 -0.43 3.41 -0.90 -3.85 113.62 108.15 1qwn n SER 443 Ca 0.09 0.15 0.07 0.00 -0.26 0.00 0.00 58.87 58.92 1qwn n SER 443 Cb 0.05 -0.10 0.44 0.00 -0.26 0.00 0.00 64.21 64.34 1qwn n SER 443 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1qwn h ALA 444 N 2.78 1.11 -0.01 7.33 0.00 -0.76 -3.18 119.26 126.54 1qwn h ALA 444 Ca 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1qwn h ALA 444 Cb 0.61 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1qwn h ALA 444 CO 0.00 0.37 0.00 -1.49 0.00 0.00 0.00 179.25 178.14 1qwn h TRP 445 N 0.00 0.00 -2.39 0.00 4.06 -1.67 -3.44 115.95 112.52 1qwn h TRP 445 Ca -0.00 0.00 -0.55 0.00 2.06 0.00 0.00 58.89 60.39 1qwn h TRP 445 Cb 0.72 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 28.74 1qwn h TRP 445 CO 0.00 0.00 -0.72 -1.01 -3.56 0.00 0.00 178.44 173.15 1qwn s HIS 446 N -4.90 2.11 0.04 0.49 3.76 -1.20 -5.10 115.29 110.50 1qwn s HIS 446 Ca -0.05 -0.50 -0.19 0.00 -0.15 0.00 0.00 55.06 54.18 1qwn s HIS 446 Cb 0.16 -1.05 -0.06 0.00 1.11 0.00 0.00 32.58 32.74 1qwn s HIS 446 CO 0.62 0.52 0.55 0.45 -0.85 0.00 0.00 174.74 176.03 1qwn s SER 447 N -3.47 7.00 -0.00 1.40 0.15 -1.26 -5.00 113.70 112.51 1qwn s SER 447 Ca 0.29 1.19 0.08 0.00 0.70 0.00 0.00 55.95 58.20 1qwn s SER 447 Cb -0.01 -2.34 -0.02 0.00 -1.71 0.00 0.00 66.02 61.94 1qwn s SER 447 CO 0.13 0.24 -0.23 0.26 1.20 0.00 0.00 173.24 174.83 1qwn s TRP 448 N -0.87 2.41 0.56 3.44 0.52 -1.26 -5.04 118.94 118.70 1qwn s TRP 448 Ca 0.28 -0.37 -0.21 0.00 0.02 0.00 0.00 56.10 55.82 1qwn s TRP 448 Cb -0.19 -1.49 -0.04 0.00 -1.15 0.00 0.00 33.47 30.60 1qwn s TRP 448 CO 0.18 0.06 1.32 0.34 0.02 0.00 0.00 176.95 178.87 1qwn s ASP 449 N -0.85 5.24 0.54 2.95 -1.08 -1.26 -4.36 116.67 117.85 1qwn s ASP 449 Ca 0.11 2.67 0.23 0.00 -0.52 0.00 0.00 52.55 55.05 1qwn s ASP 449 Cb -0.10 -2.63 1.41 0.00 -1.46 0.00 0.00 42.92 40.15 1qwn s ASP 449 CO 0.01 -1.58 2.06 1.23 0.52 0.00 0.00 175.17 177.41 1qwn h GLY 450 N 1.33 0.00 2.00 2.66 0.00 -2.01 -0.96 103.07 106.08 1qwn h GLY 450 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1qwn h GLY 450 CO 0.57 0.00 0.00 -0.33 0.00 0.00 0.00 176.54 176.78 1qwn h MET 451 N 0.00 0.00 0.00 4.80 2.86 -2.05 -1.94 114.93 118.61 1qwn h MET 451 Ca 0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 1qwn h MET 451 Cb 0.61 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.27 1qwn h MET 451 CO -0.00 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.97 1qwn n ALA 452 N -1.84 2.17 -2.41 6.32 0.00 -0.37 -4.91 120.51 119.47 1qwn n ALA 452 Ca 0.00 -0.03 -0.17 0.00 0.00 0.00 0.00 53.44 53.24 1qwn n ALA 452 Cb 0.17 -1.44 -0.01 0.00 0.00 0.00 0.00 19.45 18.17 1qwn n ALA 452 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1qwn n ARG 453 N -2.01 -1.90 0.03 0.00 1.74 -0.73 -4.90 116.66 108.90 1qwn n ARG 453 Ca 0.05 0.85 -0.13 0.00 -0.77 0.00 0.00 57.85 57.85 1qwn n ARG 453 Cb 0.36 -5.48 -0.09 0.00 -1.02 0.00 0.00 32.46 26.23 1qwn n ARG 453 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 1qwn h ILE 454 N 0.00 1.15 -0.79 0.55 1.08 -1.84 -2.17 117.51 115.48 1qwn h ILE 454 Ca -0.41 -1.00 -0.01 0.00 -0.39 0.00 0.00 64.86 63.05 1qwn h ILE 454 Cb 1.30 1.77 -0.04 0.00 -3.07 0.00 0.00 36.82 36.79 1qwn h ILE 454 CO 0.49 0.24 0.45 -0.33 -0.69 0.00 0.00 178.15 178.31 1qwn h GLU 455 N -0.59 1.09 -0.13 2.37 3.07 -1.94 -0.72 114.58 117.73 1qwn h GLU 455 Ca -0.01 -0.11 -0.01 0.00 -0.50 0.00 0.00 59.36 58.73 1qwn h GLU 455 Cb 0.48 -0.22 -0.01 0.00 -0.84 0.00 0.00 28.75 28.17 1qwn h GLU 455 CO 0.02 0.78 0.06 1.49 -1.40 0.00 0.00 179.01 179.96 1qwn h GLU 456 N 1.10 0.18 -0.36 2.33 4.81 -1.95 -0.34 114.58 120.35 1qwn h GLU 456 Ca 0.28 -0.03 -0.12 0.00 -0.13 0.00 0.00 59.36 59.37 1qwn h GLU 456 Cb -0.01 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1qwn h GLU 456 CO -0.05 0.25 -0.26 0.00 -0.73 0.00 0.00 179.01 178.22 1qwn h ARG 457 N 0.08 0.74 -0.35 1.92 -0.00 -0.95 -2.05 114.38 113.77 1qwn h ARG 457 Ca 0.04 -0.31 -0.13 0.00 -0.50 0.00 0.00 59.98 59.08 1qwn h ARG 457 Cb 0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 29.97 30.06 1qwn h ARG 457 CO -0.01 0.92 -0.32 -0.07 0.00 0.00 0.00 179.97 180.50 1qwn h LEU 458 N 0.64 0.79 -0.58 3.04 3.38 -1.02 -1.20 115.31 120.36 1qwn h LEU 458 Ca 0.08 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.67 1qwn h LEU 458 Cb 0.77 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 1qwn h LEU 458 CO 0.06 1.04 0.14 -0.08 0.09 0.00 0.00 178.44 179.70 1qwn h GLU 459 N 0.64 0.93 -0.33 1.13 4.81 -0.90 0.39 114.58 121.25 1qwn h GLU 459 Ca 0.07 -0.22 0.02 0.00 -0.13 0.00 0.00 59.36 59.10 1qwn h GLU 459 Cb 0.85 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.08 1qwn h GLU 459 CO 0.07 0.86 0.16 0.37 -0.73 0.00 0.00 179.01 179.75 1qwn h GLN 460 N 0.84 0.33 -0.34 1.92 4.15 -1.17 -0.90 115.11 119.94 1qwn h GLN 460 Ca 0.18 -0.02 -0.02 0.00 0.77 0.00 0.00 58.65 59.56 1qwn h GLN 460 Cb 0.34 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 1qwn h GLN 460 CO 0.00 0.22 0.13 0.00 -1.93 0.00 0.00 178.83 177.25 1qwn h ALA 461 N 1.17 0.45 -0.88 3.38 0.00 -0.90 -1.30 119.26 121.18 1qwn h ALA 461 Ca 0.14 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1qwn h ALA 461 Cb 0.05 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 1qwn h ALA 461 CO -0.09 0.06 0.54 0.00 0.00 0.00 0.00 179.25 179.75 1qwn h ARG 462 N 0.41 1.18 -0.06 0.00 3.08 -0.79 -2.05 114.38 116.15 1qwn h ARG 462 Ca 0.11 -0.10 -0.20 0.00 0.07 0.00 0.00 59.98 59.87 1qwn h ARG 462 Cb 0.20 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.00 1qwn h ARG 462 CO -0.01 0.82 -0.81 0.00 -1.07 0.00 0.00 179.97 178.90 1qwn h ARG 463 N 1.20 0.43 -0.18 0.04 3.08 -0.76 0.53 114.38 118.73 1qwn h ARG 463 Ca 0.32 -0.39 -0.21 0.00 0.07 0.00 0.00 59.98 59.77 1qwn h ARG 463 Cb -0.07 0.09 0.01 0.00 0.08 0.00 0.00 29.97 30.07 1qwn h ARG 463 CO -0.06 1.04 -0.71 0.93 -1.07 0.00 0.00 179.97 180.09 1qwn h GLU 464 N 0.28 0.76 -0.49 0.04 4.39 -1.13 -0.31 114.58 118.12 1qwn h GLU 464 Ca -0.05 -0.58 -0.09 0.00 0.34 0.00 0.00 59.36 58.98 1qwn h GLU 464 Cb 1.41 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 30.15 1qwn h GLU 464 CO 0.14 1.20 -0.04 1.25 -1.16 0.00 0.00 179.01 180.40 1qwn h LEU 465 N 0.54 0.88 -0.79 1.33 5.85 -1.34 -2.67 115.31 119.11 1qwn h LEU 465 Ca -0.03 -0.33 0.02 0.00 0.84 0.00 0.00 57.88 58.38 1qwn h LEU 465 Cb 1.33 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 42.07 1qwn h LEU 465 CO 0.15 1.00 0.51 0.28 -0.34 0.00 0.00 178.44 180.04 1qwn h SER 466 N 0.75 0.87 -0.96 1.25 0.02 -0.78 -2.45 113.55 112.24 1qwn h SER 466 Ca 0.13 -0.01 0.02 0.00 -0.84 0.00 0.00 61.79 61.09 1qwn h SER 466 Cb 0.57 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.85 1qwn h SER 466 CO 0.03 0.61 0.64 0.25 -1.14 0.00 0.00 176.83 177.22 1qwn h LEU 467 N 1.02 1.09 -1.58 5.07 5.85 -0.93 -1.96 115.31 123.87 1qwn h LEU 467 Ca 0.30 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.00 1qwn h LEU 467 Cb -0.06 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 40.71 1qwn h LEU 467 CO -0.09 0.78 0.00 0.15 -0.34 0.00 0.00 178.44 178.94 1qwn h PHE 468 N 1.28 0.00 0.00 1.25 3.57 -1.09 -1.82 116.94 120.13 1qwn h PHE 468 Ca 0.36 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.86 1qwn h PHE 468 Cb -0.11 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.63 1qwn h PHE 468 CO -0.00 0.00 0.00 1.04 -2.23 0.00 0.00 178.31 177.12 1qwn n GLN 469 N -2.80 0.13 -1.43 1.11 1.13 -0.74 -0.87 117.38 113.91 1qwn n GLN 469 Ca 0.00 0.40 -0.39 0.00 -1.94 0.00 0.00 57.00 55.07 1qwn n GLN 469 Cb 0.21 -1.76 0.03 0.00 0.11 0.00 0.00 30.24 28.83 1qwn n GLN 469 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 1qwn n HIS 470 N -2.01 -1.01 1.19 1.08 -0.00 -0.68 -0.83 115.22 112.95 1qwn n HIS 470 Ca 0.02 0.47 0.04 0.00 -0.00 0.00 0.00 57.72 58.25 1qwn n HIS 470 Cb 0.19 -1.92 0.25 0.00 -0.00 0.00 0.00 29.99 28.51 1qwn n HIS 470 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 1qwn n HIS 471 N -1.54 0.00 -0.04 1.57 1.44 -1.17 -0.82 115.22 114.66 1qwn n HIS 471 Ca 0.11 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.82 1qwn n HIS 471 Cb 0.46 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.57 1qwn n HIS 471 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 1qwn n ASP 472 N -0.72 1.82 0.00 4.39 8.00 -1.26 -4.67 116.55 124.11 1qwn n ASP 472 Ca 0.06 -1.86 0.00 0.00 0.71 0.00 0.00 54.79 53.70 1qwn n ASP 472 Cb 0.03 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.13 1qwn n ASP 472 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qwn n GLY 473 N -0.43 0.16 0.32 0.44 0.00 -0.00 -3.37 105.19 102.31 1qwn n GLY 473 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.18 1qwn n GLY 473 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1qwn h ILE 474 N 0.00 0.52 0.00 -0.61 2.10 -1.02 -0.78 117.51 117.72 1qwn h ILE 474 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 1qwn h ILE 474 Cb 0.00 0.89 0.00 0.00 -1.09 0.00 0.00 36.82 36.62 1qwn h ILE 474 CO 0.00 0.00 0.00 0.71 -1.08 0.00 0.00 178.15 177.78 1qwn h THR 475 N 0.00 0.00 -1.34 2.19 1.35 -1.82 -3.43 112.91 109.86 1qwn h THR 475 Ca 0.06 -0.21 -0.19 0.00 -0.55 0.00 0.00 66.41 65.53 1qwn h THR 475 Cb 0.33 1.01 -0.01 0.00 -1.73 0.00 0.00 68.15 67.75 1qwn h THR 475 CO -0.00 0.00 -0.24 0.61 -0.25 0.00 0.00 175.52 175.64 1qwn n GLY 476 N -0.52 -0.01 0.69 5.82 0.00 -0.30 -4.44 105.19 106.43 1qwn n GLY 476 Ca -0.00 -0.49 0.07 0.00 0.00 0.00 0.00 46.02 45.59 1qwn n GLY 476 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1qwn n THR 477 N -4.00 2.22 -3.64 2.61 -2.24 -1.25 -4.57 114.28 103.40 1qwn n THR 477 Ca -0.11 -2.21 -0.20 0.00 -2.27 0.00 0.00 64.05 59.26 1qwn n THR 477 Cb 0.58 -0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 68.53 1qwn n THR 477 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qwn s ALA 478 N -2.94 4.07 0.76 6.98 0.00 -1.22 -4.90 121.76 124.52 1qwn s ALA 478 Ca 0.40 -1.50 -0.13 0.00 0.00 0.00 0.00 51.96 50.73 1qwn s ALA 478 Cb 0.34 -1.51 0.06 0.00 0.00 0.00 0.00 23.12 22.00 1qwn s ALA 478 CO 0.05 0.02 1.15 0.15 0.00 0.00 0.00 175.76 177.12 1qwn s LYS 479 N -4.09 2.07 0.21 0.00 1.02 -0.41 -4.71 119.74 113.84 1qwn s LYS 479 Ca 0.42 1.52 -0.10 0.00 0.02 0.00 0.00 55.97 57.83 1qwn s LYS 479 Cb -0.08 -1.85 0.30 0.00 -0.52 0.00 0.00 37.83 35.68 1qwn s LYS 479 CO 0.29 -1.83 1.67 1.15 -0.92 0.00 0.00 175.35 175.71 1qwn h THR 480 N -0.72 0.52 0.00 2.17 2.02 -1.94 0.19 112.91 115.16 1qwn h THR 480 Ca -0.46 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 66.66 1qwn h THR 480 Cb 1.27 0.36 -0.00 0.00 -1.74 0.00 0.00 68.15 68.03 1qwn h THR 480 CO 0.49 0.03 -0.07 1.12 0.37 0.00 0.00 175.52 177.46 1qwn h HIS 481 N 0.15 0.00 0.06 3.16 2.07 -1.96 -1.94 115.15 116.68 1qwn h HIS 481 Ca 0.33 0.00 -0.23 0.00 -2.85 0.00 0.00 60.37 57.62 1qwn h HIS 481 Cb 0.52 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.52 1qwn h HIS 481 CO -0.34 0.07 -0.93 0.28 -3.07 0.00 0.00 177.93 173.95 1qwn h VAL 482 N 0.00 1.37 -0.92 6.12 2.07 -1.33 -2.26 116.25 121.29 1qwn h VAL 482 Ca -0.00 -2.31 0.08 0.00 0.82 0.00 0.00 66.70 65.29 1qwn h VAL 482 Cb 0.58 2.69 -0.07 0.00 -1.52 0.00 0.00 31.29 32.97 1qwn h VAL 482 CO 0.01 0.69 0.58 0.58 0.02 0.00 0.00 177.57 179.44 1qwn h VAL 483 N 0.07 1.01 -0.69 2.57 2.07 -0.92 -0.45 116.25 119.91 1qwn h VAL 483 Ca -0.13 -0.35 -0.03 0.00 0.82 0.00 0.00 66.70 67.01 1qwn h VAL 483 Cb 1.64 -0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.29 1qwn h VAL 483 CO 0.18 0.18 0.33 0.58 0.02 0.00 0.00 177.57 178.87 1qwn h VAL 484 N 1.01 1.23 -0.38 2.57 2.07 -1.29 -0.25 116.25 121.21 1qwn h VAL 484 Ca 0.42 -0.64 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 1qwn h VAL 484 Cb 0.26 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1qwn h VAL 484 CO -0.20 0.27 0.23 -0.78 0.02 0.00 0.00 177.57 177.10 1qwn h ASP 485 N 0.96 0.45 -0.90 0.57 -0.00 -0.70 -0.35 116.42 116.45 1qwn h ASP 485 Ca 0.24 -0.05 -0.00 0.00 -0.00 0.00 0.00 57.03 57.21 1qwn h ASP 485 Cb 0.12 -0.11 -0.04 0.00 -0.00 0.00 0.00 39.33 39.29 1qwn h ASP 485 CO -0.03 0.37 0.54 1.88 -0.00 0.00 0.00 179.24 182.01 1qwn h TYR 486 N 0.49 1.18 -0.39 0.28 0.99 -0.69 -1.29 116.97 117.55 1qwn h TYR 486 Ca 0.13 -0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.84 1qwn h TYR 486 Cb 0.01 -0.39 -0.02 0.00 1.00 0.00 0.00 36.73 37.33 1qwn h TYR 486 CO -0.04 0.79 0.14 1.49 -0.00 0.00 0.00 178.16 180.54 1qwn h GLU 487 N 1.23 0.59 -0.69 4.88 4.81 -0.61 -0.69 114.58 124.11 1qwn h GLU 487 Ca 0.32 -0.12 -0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1qwn h GLU 487 Cb -0.05 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 1qwn h GLU 487 CO -0.06 0.58 0.41 1.96 -0.73 0.00 0.00 179.01 181.17 1qwn h GLN 488 N 0.48 0.94 -0.43 1.92 4.20 -0.83 0.95 115.11 122.33 1qwn h GLN 488 Ca 0.13 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 1qwn h GLN 488 Cb 0.22 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 1qwn h GLN 488 CO -0.01 0.67 0.20 0.00 -0.67 0.00 0.00 178.83 179.02 1qwn h ARG 489 N 0.94 0.63 -0.23 1.46 3.08 -1.02 -1.68 114.38 117.56 1qwn h ARG 489 Ca 0.25 -0.10 -0.09 0.00 0.07 0.00 0.00 59.98 60.11 1qwn h ARG 489 Cb -0.02 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 29.90 1qwn h ARG 489 CO -0.05 0.56 -0.22 0.52 -1.07 0.00 0.00 179.97 179.71 1qwn h MET 490 N 0.56 0.43 -0.60 0.04 2.86 -0.73 -1.02 114.93 116.46 1qwn h MET 490 Ca 0.15 -0.15 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 1qwn h MET 490 Cb 0.14 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 1qwn h MET 490 CO -0.02 0.63 0.19 0.37 1.06 0.00 0.00 176.91 179.14 1qwn h GLN 491 N 0.38 0.93 -0.77 1.72 5.75 -0.50 0.36 115.11 122.98 1qwn h GLN 491 Ca 0.06 -0.20 -0.05 0.00 -0.15 0.00 0.00 58.65 58.32 1qwn h GLN 491 Cb 0.61 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 28.99 1qwn h GLN 491 CO 0.04 0.83 0.30 0.93 -2.65 0.00 0.00 178.83 178.28 1qwn h GLU 492 N 0.85 1.16 -0.60 1.69 4.39 -0.98 -1.86 114.58 119.23 1qwn h GLU 492 Ca 0.19 -0.22 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 1qwn h GLU 492 Cb 0.28 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.72 1qwn h GLU 492 CO -0.01 0.95 0.25 0.00 -1.16 0.00 0.00 179.01 179.05 1qwn h ALA 493 N 1.15 0.78 -0.75 3.43 0.00 -0.68 -0.82 119.26 122.37 1qwn h ALA 493 Ca 0.26 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1qwn h ALA 493 Cb 0.23 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1qwn h ALA 493 CO -0.02 0.38 0.49 -0.07 0.00 0.00 0.00 179.25 180.02 1qwn h LEU 494 N 0.83 0.87 -0.68 0.00 3.38 -0.62 -0.69 115.31 118.40 1qwn h LEU 494 Ca 0.20 -0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.08 1qwn h LEU 494 Cb 0.18 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1qwn h LEU 494 CO -0.02 0.64 0.20 0.11 0.09 0.00 0.00 178.44 179.46 1qwn h LYS 495 N 1.02 1.06 -0.45 1.13 1.57 -1.04 -0.44 116.57 119.42 1qwn h LYS 495 Ca 0.27 -0.24 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 1qwn h LYS 495 Cb -0.10 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.04 1qwn h LYS 495 CO -0.06 0.93 0.26 0.00 -0.57 0.00 0.00 179.45 180.01 1qwn h ALA 496 N 1.09 0.57 -0.57 3.86 0.00 -0.76 -1.28 119.26 122.17 1qwn h ALA 496 Ca 0.22 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1qwn h ALA 496 Cb 0.32 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1qwn h ALA 496 CO -0.00 0.08 0.32 0.00 0.00 0.00 0.00 179.25 179.65 1qwn h GLN 498 N 0.77 0.70 -0.27 0.00 4.15 -0.81 0.34 115.11 119.98 1qwn h GLN 498 Ca 0.20 -0.04 0.01 0.00 0.77 0.00 0.00 58.65 59.59 1qwn h GLN 498 Cb 0.03 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.54 1qwn h GLN 498 CO -0.03 0.47 0.16 1.98 -1.93 0.00 0.00 178.83 179.47 1qwn h MET 499 N 0.73 0.32 -0.35 1.69 4.05 -0.94 -0.79 114.93 119.63 1qwn h MET 499 Ca 0.23 -0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.58 1qwn h MET 499 Cb -0.02 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 30.70 1qwn h MET 499 CO -0.08 0.21 0.05 0.28 0.23 0.00 0.00 176.91 177.60 1qwn h VAL 500 N 0.33 1.24 -0.32 -5.77 2.07 -1.05 -1.98 116.25 110.78 1qwn h VAL 500 Ca 0.11 -0.86 0.01 0.00 0.82 0.00 0.00 66.70 66.78 1qwn h VAL 500 Cb -0.01 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.86 1qwn h VAL 500 CO -0.05 0.29 0.19 0.24 0.02 0.00 0.00 177.57 178.26 1qwn h MET 501 N 0.42 0.37 -0.14 1.57 2.07 -0.75 -1.66 114.93 116.81 1qwn h MET 501 Ca 0.11 -0.02 -0.16 0.00 -2.07 0.00 0.00 59.70 57.55 1qwn h MET 501 Cb 0.37 -0.08 -0.01 0.00 -1.87 0.00 0.00 31.60 30.01 1qwn h MET 501 CO 0.01 0.25 -0.61 -0.56 1.07 0.00 0.00 176.91 177.07 1qwn h GLN 502 N 0.38 0.47 -0.80 1.72 -0.00 -1.05 -0.64 115.11 115.18 1qwn h GLN 502 Ca 0.12 -0.32 -0.03 0.00 -0.00 0.00 0.00 58.65 58.42 1qwn h GLN 502 Cb -0.00 0.05 -0.04 0.00 -0.00 0.00 0.00 27.48 27.49 1qwn h GLN 502 CO -0.06 0.93 0.38 1.96 -0.00 0.00 0.00 178.83 182.05 1qwn h GLN 503 N 0.35 1.16 -0.29 0.06 1.08 -1.28 -1.96 115.11 114.23 1qwn h GLN 503 Ca -0.01 -0.17 -0.06 0.00 -1.45 0.00 0.00 58.65 56.97 1qwn h GLN 503 Cb 1.15 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 28.36 1qwn h GLN 503 CO 0.11 0.90 -0.04 0.77 -0.95 0.00 0.00 178.83 179.62 1qwn h SER 504 N 1.15 0.53 -0.66 1.46 0.02 -0.90 -2.27 113.55 112.88 1qwn h SER 504 Ca 0.28 -0.34 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1qwn h SER 504 Cb 0.13 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 1qwn h SER 504 CO -0.03 0.75 0.43 0.58 -1.14 0.00 0.00 176.83 177.41 1qwn h VAL 505 N 0.31 1.18 -0.52 2.27 2.07 -0.97 0.28 116.25 120.86 1qwn h VAL 505 Ca 0.08 -0.35 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 1qwn h VAL 505 Cb 0.49 0.22 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 1qwn h VAL 505 CO 0.02 0.18 0.17 0.22 0.02 0.00 0.00 177.57 178.18 1qwn h TYR 506 N 0.90 0.77 -0.07 1.57 3.20 -1.25 -1.58 116.97 120.51 1qwn h TYR 506 Ca 0.24 -0.05 -0.22 0.00 3.14 0.00 0.00 58.73 61.84 1qwn h TYR 506 Cb -0.08 -0.23 0.01 0.00 1.54 0.00 0.00 36.73 37.96 1qwn h TYR 506 CO -0.02 0.63 -0.84 -0.09 -1.64 0.00 0.00 178.16 176.19 1qwn h ARG 507 N 0.75 0.57 0.00 1.82 2.43 -0.89 -2.79 114.38 116.27 1qwn h ARG 507 Ca 0.17 -0.52 -0.02 0.00 -0.81 0.00 0.00 59.98 58.80 1qwn h ARG 507 Cb 0.21 0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.88 1qwn h ARG 507 CO -0.01 1.14 -0.11 -0.07 -1.51 0.00 0.00 179.97 179.41 1qwn h LEU 508 N 0.37 0.00 -3.02 3.80 3.38 -0.55 -3.29 115.31 116.01 1qwn h LEU 508 Ca -0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1qwn h LEU 508 Cb 1.46 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.21 1qwn h LEU 508 CO 0.16 0.11 0.00 0.18 0.09 0.00 0.00 178.44 178.98 1qwn n LEU 509 N -3.22 2.40 -4.37 1.67 4.77 -0.63 -4.87 117.00 112.74 1qwn n LEU 509 Ca 0.01 -2.68 -0.32 0.00 -0.03 0.00 0.00 56.01 52.99 1qwn n LEU 509 Cb 0.41 -0.29 -0.15 0.00 -2.33 0.00 0.00 43.42 41.06 1qwn n LEU 509 CO 0.31 0.64 -0.51 -0.89 -1.33 0.00 0.00 177.39 175.61 1qwn s THR 510 N -2.17 2.52 0.11 -5.08 2.01 -1.06 -0.41 115.64 111.56 1qwn s THR 510 Ca 0.22 -0.92 -0.36 0.00 0.31 0.00 0.00 61.69 60.94 1qwn s THR 510 Cb 0.19 -1.94 -0.16 0.00 0.01 0.00 0.00 72.50 70.59 1qwn s THR 510 CO 0.03 0.58 1.39 1.17 -0.69 0.00 0.00 174.62 177.10 1qwn n LYS 511 N 2.53 1.40 -0.35 4.92 4.81 -0.30 -4.73 118.16 126.44 1qwn n LYS 511 Ca -0.17 0.51 0.09 0.00 -0.87 0.00 0.00 58.31 57.87 1qwn n LYS 511 Cb 0.52 -2.17 0.26 0.00 0.02 0.00 0.00 35.03 33.66 1qwn n LYS 511 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1qwn h PRO 512 N 4.80 0.84 0.00 1.64 0.11 -1.92 -0.99 132.00 136.48 1qwn h PRO 512 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 1qwn h PRO 512 Cb 1.32 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1qwn h PRO 512 CO 0.80 0.56 0.00 -1.13 -0.21 0.00 0.00 178.00 178.02 1qwn n SER 513 N -4.70 0.00 -0.06 -2.05 3.41 -1.26 -3.08 113.62 105.88 1qwn n SER 513 Ca 0.20 -0.79 -0.06 0.00 -0.26 0.00 0.00 58.87 57.96 1qwn n SER 513 Cb 0.43 -0.04 -0.08 0.00 -0.26 0.00 0.00 64.21 64.26 1qwn n SER 513 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1qwn n ILE 514 N -1.04 0.77 -1.69 -1.33 5.41 -0.46 -5.01 119.36 116.01 1qwn n ILE 514 Ca 0.20 -0.45 -0.55 0.00 1.00 0.00 0.00 62.75 62.96 1qwn n ILE 514 Cb 0.11 -0.75 -0.06 0.00 -0.71 0.00 0.00 39.64 38.23 1qwn n ILE 514 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1qwn n TYR 515 N -2.48 2.05 -3.33 1.39 9.36 -0.68 -4.91 117.16 118.56 1qwn n TYR 515 Ca -0.19 0.43 -0.25 0.00 3.32 0.00 0.00 57.90 61.21 1qwn n TYR 515 Cb 0.85 -2.49 -0.09 0.00 -0.63 0.00 0.00 39.34 36.98 1qwn n TYR 515 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1qwn s SER 516 N 3.17 1.15 0.27 2.98 0.15 -1.26 -5.04 113.70 115.12 1qwn s SER 516 Ca 0.95 -2.92 -0.30 0.00 0.70 0.00 0.00 55.95 54.38 1qwn s SER 516 Cb -0.96 -0.21 -0.09 0.00 -1.71 0.00 0.00 66.02 63.05 1qwn s SER 516 CO 0.59 -0.16 1.08 -2.16 1.20 0.00 0.00 173.24 173.79 1qwn s PRO 517 N 0.16 4.66 -0.33 5.44 0.04 -1.26 -5.01 135.00 138.71 1qwn s PRO 517 Ca 0.32 1.77 -0.05 0.00 0.04 0.00 0.00 61.00 63.08 1qwn s PRO 517 Cb 0.03 -3.20 0.04 0.00 0.04 0.00 0.00 34.50 31.41 1qwn s PRO 517 CO -0.18 0.24 0.07 0.34 0.04 0.00 0.00 177.00 177.51 1qwn s ASP 518 N -0.89 5.18 0.00 6.66 -1.08 -1.26 -4.99 116.67 120.29 1qwn s ASP 518 Ca 0.44 -1.17 0.12 0.00 -0.52 0.00 0.00 52.55 51.42 1qwn s ASP 518 Cb -0.31 -1.82 0.58 0.00 -1.46 0.00 0.00 42.92 39.91 1qwn s ASP 518 CO 0.40 -0.30 1.27 0.49 0.52 0.00 0.00 175.17 177.55 1qwn n PHE 519 N 4.76 0.00 0.79 -5.34 3.72 -1.26 -1.46 117.46 118.67 1qwn n PHE 519 Ca -0.13 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.36 1qwn n PHE 519 Cb 0.44 -0.29 -0.01 0.00 -0.94 0.00 0.00 39.48 38.68 1qwn n PHE 519 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1qwn n SER 520 N -1.29 1.66 -4.86 4.37 3.41 -1.26 -4.99 113.62 110.66 1qwn n SER 520 Ca 0.05 -1.33 -0.33 0.00 -0.26 0.00 0.00 58.87 57.00 1qwn n SER 520 Cb 0.09 0.51 -0.06 0.00 -0.26 0.00 0.00 64.21 64.50 1qwn n SER 520 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1qwn s PHE 521 N -2.09 3.47 -0.71 7.33 5.36 -0.53 -5.04 117.98 125.75 1qwn s PHE 521 Ca 0.14 1.00 -0.16 0.00 -0.96 0.00 0.00 56.93 56.95 1qwn s PHE 521 Cb 0.14 -2.35 0.16 0.00 -0.34 0.00 0.00 43.02 40.63 1qwn s PHE 521 CO 0.47 0.28 0.73 -1.12 -1.46 0.00 0.00 175.22 174.12 1qwn s SER 522 N -2.16 6.47 0.28 6.13 0.01 -1.26 -4.88 113.70 118.28 1qwn s SER 522 Ca 0.46 -2.10 0.09 0.00 1.31 0.00 0.00 55.95 55.72 1qwn s SER 522 Cb -0.12 -2.25 0.39 0.00 0.21 0.00 0.00 66.02 64.25 1qwn s SER 522 CO 0.20 -0.83 1.64 1.88 0.41 0.00 0.00 173.24 176.54 1qwn h TYR 523 N 8.51 0.07 -4.03 2.43 -1.99 -1.94 -3.42 116.97 116.61 1qwn h TYR 523 Ca -0.08 -0.03 -0.16 0.00 2.00 0.00 0.00 58.73 60.46 1qwn h TYR 523 Cb 1.06 -0.01 -0.20 0.00 2.00 0.00 0.00 36.73 39.58 1qwn h TYR 523 CO 0.93 0.61 -0.70 -0.06 -0.00 0.00 0.00 178.16 178.95 1qwn s PHE 524 N -3.75 0.31 -0.02 4.88 0.40 -1.26 -0.56 117.98 117.98 1qwn s PHE 524 Ca -0.02 -0.63 0.05 0.00 -0.60 0.00 0.00 56.93 55.73 1qwn s PHE 524 Cb 0.13 -0.23 -0.03 0.00 0.51 0.00 0.00 43.02 43.40 1qwn s PHE 524 CO 0.76 -0.22 -0.15 0.95 0.70 0.00 0.00 175.22 177.26 1qwn s THR 525 N -1.92 2.98 0.38 0.64 -4.23 -0.55 -4.87 115.64 108.07 1qwn s THR 525 Ca -0.12 -0.88 -0.25 0.00 -1.18 0.00 0.00 61.69 59.27 1qwn s THR 525 Cb -0.07 -2.20 -0.09 0.00 1.34 0.00 0.00 72.50 71.49 1qwn s THR 525 CO -0.03 0.50 1.04 -0.76 -0.54 0.00 0.00 174.62 174.84 1qwn s LEU 526 N -0.98 4.18 -0.17 4.79 1.43 -1.26 -0.76 118.68 125.91 1qwn s LEU 526 Ca 0.13 2.02 0.01 0.00 -1.03 0.00 0.00 54.13 55.26 1qwn s LEU 526 Cb -0.11 -4.14 0.02 0.00 0.03 0.00 0.00 46.19 42.00 1qwn s LEU 526 CO 0.02 -0.42 -0.17 -0.62 0.23 0.00 0.00 176.35 175.39 1qwn s ASP 527 N -1.54 3.05 -0.18 2.29 2.15 -0.22 -4.87 116.67 117.35 1qwn s ASP 527 Ca 0.56 -0.64 0.01 0.00 0.43 0.00 0.00 52.55 52.91 1qwn s ASP 527 Cb -0.22 -1.36 0.03 0.00 -0.30 0.00 0.00 42.92 41.07 1qwn s ASP 527 CO 0.28 -0.04 -0.12 -0.62 -0.17 0.00 0.00 175.17 174.50 1qwn s ASP 528 N 1.36 3.12 0.18 -0.34 -1.08 -1.26 -4.14 116.67 114.51 1qwn s ASP 528 Ca 0.04 -0.73 0.25 0.00 -0.52 0.00 0.00 52.55 51.59 1qwn s ASP 528 Cb -0.13 -1.22 0.91 0.00 -1.46 0.00 0.00 42.92 41.02 1qwn s ASP 528 CO -0.12 -0.11 1.76 -1.20 0.52 0.00 0.00 175.17 176.02 1qwn n SER 529 N 4.72 0.60 0.00 -0.34 7.64 -1.26 -3.98 113.62 120.99 1qwn n SER 529 Ca -0.16 0.58 0.00 0.00 1.01 0.00 0.00 58.87 60.31 1qwn n SER 529 Cb 0.48 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 62.94 1qwn n SER 529 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1qwn n ARG 530 N -2.09 2.01 -3.69 1.43 1.74 -1.26 -4.42 116.66 110.39 1qwn n ARG 530 Ca 0.05 -1.18 -0.10 0.00 -0.77 0.00 0.00 57.85 55.84 1qwn n ARG 530 Cb 0.34 -0.88 -0.11 0.00 -1.02 0.00 0.00 32.46 30.80 1qwn n ARG 530 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 1qwn s TRP 531 N -0.69 -0.61 0.05 -1.55 -0.11 -1.26 -4.06 118.94 110.70 1qwn s TRP 531 Ca 0.00 1.27 0.32 0.00 1.22 0.00 0.00 56.10 58.92 1qwn s TRP 531 Cb 0.00 0.23 1.46 0.00 -1.50 0.00 0.00 33.47 33.66 1qwn s TRP 531 CO 0.00 -0.37 1.97 -1.35 -4.62 0.00 0.00 176.95 172.58 1qwn h PRO 532 N 7.48 0.00 0.00 5.86 0.11 -1.88 -3.43 132.00 140.14 1qwn h PRO 532 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1qwn h PRO 532 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1qwn h PRO 532 CO 0.25 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.45 1qwn n GLY 533 N -0.29 2.59 3.72 -0.55 0.00 -1.26 -4.30 105.19 105.11 1qwn n GLY 533 Ca 0.00 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 43.78 1qwn n GLY 533 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qwn s SER 534 N 0.00 6.48 0.00 1.61 0.15 -1.26 -0.74 113.70 119.94 1qwn s SER 534 Ca 0.00 2.76 0.00 0.00 0.70 0.00 0.00 55.95 59.41 1qwn s SER 534 Cb 0.00 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 1qwn s SER 534 CO 0.00 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 174.15 1qwn n GLY 535 N 3.76 1.40 0.50 9.45 0.00 -1.26 -4.84 105.19 114.20 1qwn n GLY 535 Ca 0.14 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.01 1qwn n GLY 535 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1qwn n VAL 536 N -2.00 0.96 -3.75 1.61 0.31 0.08 -4.98 118.33 110.57 1qwn n VAL 536 Ca 0.00 -0.16 -0.12 0.00 -0.01 0.00 0.00 64.34 64.05 1qwn n VAL 536 Cb 0.00 -1.77 -0.11 0.00 -0.91 0.00 0.00 33.84 31.05 1qwn n VAL 536 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1qwn s GLU 537 N -2.33 0.35 -0.83 5.55 2.12 -0.90 -4.98 118.70 117.68 1qwn s GLU 537 Ca -0.22 0.49 -0.19 0.00 0.36 0.00 0.00 54.97 55.42 1qwn s GLU 537 Cb 0.08 0.11 0.13 0.00 0.26 0.00 0.00 34.13 34.71 1qwn s GLU 537 CO 0.28 -0.08 0.99 0.34 -0.54 0.00 0.00 175.26 176.25 1qwn s ASP 538 N 0.49 6.52 -0.00 -1.70 -1.08 -1.26 -4.57 116.67 115.06 1qwn s ASP 538 Ca -0.03 -1.91 0.02 0.00 -0.52 0.00 0.00 52.55 50.11 1qwn s ASP 538 Cb -0.04 -2.36 -0.03 0.00 -1.46 0.00 0.00 42.92 39.03 1qwn s ASP 538 CO -0.03 -1.05 0.07 -1.54 0.52 0.00 0.00 175.17 173.15 1qwn n SER 539 N 6.28 3.05 -4.78 -0.34 3.41 -1.26 -5.04 113.62 114.93 1qwn n SER 539 Ca 0.14 -0.18 -0.37 0.00 -0.26 0.00 0.00 58.87 58.20 1qwn n SER 539 Cb 0.47 1.08 -0.05 0.00 -0.26 0.00 0.00 64.21 65.45 1qwn n SER 539 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1qwn s ARG 540 N -1.87 4.29 0.07 4.33 0.52 -1.26 -5.03 118.95 120.00 1qwn s ARG 540 Ca -0.00 1.46 -0.11 0.00 -0.52 0.00 0.00 55.73 56.55 1qwn s ARG 540 Cb 0.02 -2.61 -0.06 0.00 0.52 0.00 0.00 34.95 32.82 1qwn s ARG 540 CO 0.10 -0.02 0.42 0.95 0.02 0.00 0.00 175.30 176.77 1qwn s THR 541 N -1.66 5.06 0.04 0.02 -4.23 -1.26 -5.06 115.64 108.55 1qwn s THR 541 Ca 0.56 0.57 -0.22 0.00 -1.18 0.00 0.00 61.69 61.42 1qwn s THR 541 Cb -0.21 -3.67 -0.06 0.00 1.34 0.00 0.00 72.50 69.91 1qwn s THR 541 CO 0.26 0.34 0.65 -0.89 -0.54 0.00 0.00 174.62 174.44 1qwn s THR 542 N -1.34 4.77 -0.37 3.99 2.01 -1.26 -4.54 115.64 118.90 1qwn s THR 542 Ca 0.32 1.37 -0.28 0.00 0.31 0.00 0.00 61.69 63.41 1qwn s THR 542 Cb -0.15 -3.99 0.02 0.00 0.01 0.00 0.00 72.50 68.40 1qwn s THR 542 CO 0.17 0.45 1.05 -0.63 -0.69 0.00 0.00 174.62 174.97 1qwn s ILE 543 N -0.46 4.46 -0.39 1.82 1.01 0.35 -4.95 121.20 123.04 1qwn s ILE 543 Ca 0.33 1.50 -0.17 0.00 0.00 0.00 0.00 60.65 62.30 1qwn s ILE 543 Cb -0.19 -4.44 0.01 0.00 0.01 0.00 0.00 42.46 37.85 1qwn s ILE 543 CO 0.20 -0.61 0.43 -0.63 0.00 0.00 0.00 174.94 174.33 1qwn s ILE 544 N 3.79 5.10 0.21 2.92 1.01 -1.26 -1.55 121.20 131.41 1qwn s ILE 544 Ca 0.44 -0.14 0.12 0.00 0.00 0.00 0.00 60.65 61.07 1qwn s ILE 544 Cb -0.11 -3.97 -0.05 0.00 0.01 0.00 0.00 42.46 38.34 1qwn s ILE 544 CO 0.20 -0.31 -0.23 -0.76 0.00 0.00 0.00 174.94 173.84 1qwn s LEU 545 N 2.15 2.47 0.00 2.97 1.43 -1.26 -4.72 118.68 121.72 1qwn s LEU 545 Ca 0.13 -0.90 0.00 0.00 -1.03 0.00 0.00 54.13 52.33 1qwn s LEU 545 Cb -0.17 -1.16 0.00 0.00 0.03 0.00 0.00 46.19 44.89 1qwn s LEU 545 CO 0.13 0.10 0.00 0.61 0.23 0.00 0.00 176.35 177.43 1qwn n GLY 546 N 0.09 1.75 0.34 -3.19 0.00 0.02 -4.82 105.19 99.38 1qwn n GLY 546 Ca -0.11 -0.19 0.11 0.00 0.00 0.00 0.00 46.02 45.83 1qwn n GLY 546 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1qwn h GLU 547 N 0.00 0.31 -0.64 1.61 4.81 -1.96 0.64 114.58 119.35 1qwn h GLU 547 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1qwn h GLU 547 Cb 0.00 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.31 1qwn h GLU 547 CO 0.00 0.21 0.00 -0.25 -0.73 0.00 0.00 179.01 178.24 1qwn n ASP 548 N -4.47 4.38 0.00 1.04 8.00 -1.26 -4.64 116.55 119.60 1qwn n ASP 548 Ca 0.07 -2.45 0.00 0.00 0.71 0.00 0.00 54.79 53.12 1qwn n ASP 548 Cb 0.31 -0.56 0.00 0.00 -0.02 0.00 0.00 41.12 40.85 1qwn n ASP 548 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qwn n ILE 549 N 0.91 0.00 -3.41 0.53 0.13 -0.50 -5.13 119.36 111.90 1qwn n ILE 549 Ca 0.23 0.00 0.02 0.00 -1.10 0.00 0.00 62.75 61.90 1qwn n ILE 549 Cb 0.84 -0.35 -0.03 0.00 -0.84 0.00 0.00 39.64 39.26 1qwn n ILE 549 CO 0.00 0.00 0.00 -0.22 2.80 0.00 0.00 176.55 179.13 1qwn s LEU 550 N -4.75 -0.82 0.29 9.51 2.96 0.10 -4.93 118.68 121.04 1qwn s LEU 550 Ca 0.00 0.95 0.15 0.00 -0.22 0.00 0.00 54.13 55.01 1qwn s LEU 550 Cb 0.00 1.86 0.22 0.00 0.50 0.00 0.00 46.19 48.77 1qwn s LEU 550 CO 0.00 -0.16 1.51 1.55 -1.32 0.00 0.00 176.35 177.94 1qwn h PRO 551 N 7.75 0.00 -3.47 0.98 0.13 -1.90 0.10 132.00 135.59 1qwn h PRO 551 Ca -0.17 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.92 1qwn h PRO 551 Cb 1.12 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.16 1qwn h PRO 551 CO 0.09 0.52 -0.05 -1.54 -0.23 0.00 0.00 178.00 176.79 1qwn s SER 552 N -6.48 -0.16 -0.10 1.44 1.04 -1.26 -1.45 113.70 106.73 1qwn s SER 552 Ca 0.02 -0.68 -0.06 0.00 0.48 0.00 0.00 55.95 55.72 1qwn s SER 552 Cb 0.09 0.57 0.04 0.00 0.10 0.00 0.00 66.02 66.82 1qwn s SER 552 CO 0.74 -1.08 0.23 -0.75 0.98 0.00 0.00 173.24 173.36 1qwn s LYS 553 N -3.93 0.21 0.14 4.02 2.47 -0.02 -4.97 119.74 117.65 1qwn s LYS 553 Ca 0.14 0.46 -0.25 0.00 -1.56 0.00 0.00 55.97 54.76 1qwn s LYS 553 Cb -0.01 -0.06 -0.07 0.00 -1.46 0.00 0.00 37.83 36.23 1qwn s LYS 553 CO 0.02 -0.13 0.76 -1.01 0.16 0.00 0.00 175.35 175.15 1qwn s HIS 554 N 0.96 3.87 0.11 4.03 3.76 -1.26 -0.79 115.29 125.95 1qwn s HIS 554 Ca -0.07 1.57 0.07 0.00 -0.15 0.00 0.00 55.06 56.48 1qwn s HIS 554 Cb -0.08 -2.76 -0.03 0.00 1.11 0.00 0.00 32.58 30.82 1qwn s HIS 554 CO -0.06 0.48 -0.16 0.14 -0.85 0.00 0.00 174.74 174.28 1qwn s VAL 555 N -0.93 1.42 -0.02 -0.90 -7.23 -0.21 -1.67 120.40 110.85 1qwn s VAL 555 Ca 0.36 -1.57 0.02 0.00 -1.81 0.00 0.00 61.98 58.99 1qwn s VAL 555 Cb -0.22 -1.43 0.00 0.00 0.56 0.00 0.00 36.38 35.29 1qwn s VAL 555 CO 0.25 -0.25 -0.09 -0.69 -0.31 0.00 0.00 175.10 174.01 1qwn s VAL 556 N -1.60 0.78 -0.07 1.32 1.01 -0.07 -0.72 120.40 121.05 1qwn s VAL 556 Ca 0.06 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.68 1qwn s VAL 556 Cb -0.08 -0.70 -0.03 0.00 0.00 0.00 0.00 36.38 35.58 1qwn s VAL 556 CO 0.03 0.24 -0.06 -0.04 0.00 0.00 0.00 175.10 175.27 1qwn s MET 557 N 0.17 2.78 -0.06 2.72 -1.94 -0.12 -0.36 119.30 122.48 1qwn s MET 557 Ca -0.03 -0.54 0.02 0.00 -1.71 0.00 0.00 55.69 53.43 1qwn s MET 557 Cb -0.08 -2.61 -0.03 0.00 2.01 0.00 0.00 34.83 34.12 1qwn s MET 557 CO 0.00 0.66 -0.10 -1.58 -0.01 0.00 0.00 175.02 173.99 1qwn s HIS 558 N -0.79 2.85 -0.31 -0.03 5.04 -0.12 -1.26 115.29 120.66 1qwn s HIS 558 Ca 0.12 -0.06 0.04 0.00 -1.54 0.00 0.00 55.06 53.62 1qwn s HIS 558 Cb -0.11 -1.68 0.09 0.00 0.04 0.00 0.00 32.58 30.91 1qwn s HIS 558 CO 0.01 0.27 -0.00 1.21 -2.34 0.00 0.00 174.74 173.89 1qwn s ASN 559 N -0.75 4.64 0.30 9.88 2.47 -0.43 -1.12 114.94 129.92 1qwn s ASN 559 Ca 0.12 -1.90 0.26 0.00 0.42 0.00 0.00 52.86 51.75 1qwn s ASN 559 Cb -0.11 -1.58 0.96 0.00 -1.45 0.00 0.00 41.25 39.06 1qwn s ASN 559 CO 0.01 -0.32 1.76 0.00 -3.72 0.00 0.00 177.10 174.83 1qwn h THR 560 N 6.66 0.00 -3.97 -5.21 1.03 -1.86 -1.78 112.91 107.79 1qwn h THR 560 Ca -0.09 -0.37 -0.47 0.00 -0.01 0.00 0.00 66.41 65.47 1qwn h THR 560 Cb 1.03 1.22 0.00 0.00 -1.07 0.00 0.00 68.15 69.33 1qwn h THR 560 CO 0.50 0.00 0.38 -0.76 -0.01 0.00 0.00 175.52 175.63 1qwn s LEU 561 N -4.81 4.14 -0.09 0.00 1.43 -1.26 -4.51 118.68 113.58 1qwn s LEU 561 Ca 0.06 1.91 -0.00 0.00 -1.03 0.00 0.00 54.13 55.06 1qwn s LEU 561 Cb 0.10 -4.23 0.05 0.00 0.03 0.00 0.00 46.19 42.14 1qwn s LEU 561 CO 0.48 -0.37 2.06 -0.81 0.23 0.00 0.00 176.35 177.94 1qwn n PRO 562 N -0.06 1.26 -3.83 1.29 -0.04 -1.26 -1.24 135.00 131.12 1qwn n PRO 562 Ca 0.05 -0.48 -0.11 0.00 -0.04 0.00 0.00 63.50 62.92 1qwn n PRO 562 Cb 0.51 -1.21 -0.08 0.00 -0.04 0.00 0.00 33.50 32.68 1qwn n PRO 562 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 1qwn s HIS 563 N -0.49 0.01 0.35 0.54 -3.43 -1.26 -0.45 115.29 110.56 1qwn s HIS 563 Ca 0.11 -0.17 -0.28 0.00 -0.80 0.00 0.00 55.06 53.92 1qwn s HIS 563 Cb 0.08 -0.00 -0.12 0.00 -1.43 0.00 0.00 32.58 31.11 1qwn s HIS 563 CO -0.00 -0.42 1.36 0.91 -2.00 0.00 0.00 174.74 174.60 1qwn n TRP 564 N 0.84 2.53 -3.83 0.38 7.02 -1.26 -3.94 117.44 119.18 1qwn n TRP 564 Ca -0.20 0.51 -0.13 0.00 -1.02 0.00 0.00 57.50 56.67 1qwn n TRP 564 Cb 0.58 -2.46 -0.14 0.00 -2.42 0.00 0.00 31.31 26.88 1qwn n TRP 564 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 1qwn s ARG 565 N -1.89 0.08 -0.03 -0.99 3.52 -0.69 -4.95 118.95 114.00 1qwn s ARG 565 Ca 0.55 0.14 0.01 0.00 -0.13 0.00 0.00 55.73 56.30 1qwn s ARG 565 Cb -0.54 -0.01 -0.03 0.00 -1.56 0.00 0.00 34.95 32.81 1qwn s ARG 565 CO 0.62 -0.04 -0.03 -1.21 -0.81 0.00 0.00 175.30 173.84 1qwn s GLU 566 N 0.25 2.77 -0.19 5.12 2.02 -1.26 -0.96 118.70 126.44 1qwn s GLU 566 Ca -0.02 -0.58 -0.22 0.00 0.02 0.00 0.00 54.97 54.17 1qwn s GLU 566 Cb -0.03 -2.64 0.06 0.00 0.10 0.00 0.00 34.13 31.62 1qwn s GLU 566 CO -0.01 0.64 0.60 -1.14 0.02 0.00 0.00 175.26 175.37 1qwn s GLN 567 N -1.26 0.76 0.30 1.61 0.74 -0.75 -4.98 119.66 116.07 1qwn s GLN 567 Ca 0.16 0.69 -0.29 0.00 0.05 0.00 0.00 55.36 55.98 1qwn s GLN 567 Cb -0.11 0.37 -0.10 0.00 1.10 0.00 0.00 33.01 34.27 1qwn s GLN 567 CO 0.07 -0.13 1.14 -0.51 -0.55 0.00 0.00 175.29 175.31 1qwn s LEU 568 N -0.01 4.49 0.09 3.68 1.43 -1.26 -1.13 118.68 125.97 1qwn s LEU 568 Ca -0.02 2.35 0.06 0.00 -1.03 0.00 0.00 54.13 55.49 1qwn s LEU 568 Cb -0.04 -3.67 -0.03 0.00 0.03 0.00 0.00 46.19 42.48 1qwn s LEU 568 CO 0.02 -0.26 -0.17 0.68 0.23 0.00 0.00 176.35 176.85 1qwn s VAL 569 N -1.19 1.38 0.06 -1.59 -7.23 -0.01 -4.91 120.40 106.92 1qwn s VAL 569 Ca 0.46 -1.46 0.05 0.00 -1.81 0.00 0.00 61.98 59.22 1qwn s VAL 569 Cb -0.33 -1.33 -0.03 0.00 0.56 0.00 0.00 36.38 35.25 1qwn s VAL 569 CO 0.43 -0.19 -0.13 1.51 -0.31 0.00 0.00 175.10 176.40 1qwn s ASP 570 N -1.92 1.57 0.06 4.85 3.84 -1.26 -1.66 116.67 122.16 1qwn s ASP 570 Ca 0.03 -0.58 0.02 0.00 -0.00 0.00 0.00 52.55 52.02 1qwn s ASP 570 Cb -0.09 -0.05 -0.03 0.00 -1.38 0.00 0.00 42.92 41.37 1qwn s ASP 570 CO 0.03 -0.07 -0.08 -0.36 -0.00 0.00 0.00 175.17 174.69 1qwn s PHE 571 N -1.21 0.78 0.01 2.11 0.40 -0.34 -4.92 117.98 114.81 1qwn s PHE 571 Ca -0.02 -0.61 -0.21 0.00 -0.60 0.00 0.00 56.93 55.48 1qwn s PHE 571 Cb -0.10 -0.46 -0.05 0.00 0.51 0.00 0.00 43.02 42.92 1qwn s PHE 571 CO 0.02 -0.09 0.63 0.71 0.70 0.00 0.00 175.22 177.19 1qwn s TYR 572 N -2.00 3.70 0.10 0.36 2.02 -1.26 -1.00 117.35 119.28 1qwn s TYR 572 Ca -0.03 1.26 0.04 0.00 -0.37 0.00 0.00 57.07 57.97 1qwn s TYR 572 Cb -0.06 -2.65 -0.04 0.00 -0.40 0.00 0.00 41.96 38.82 1qwn s TYR 572 CO -0.01 0.35 -0.11 0.14 -1.57 0.00 0.00 175.55 174.35 1qwn s VAL 573 N -0.23 1.03 -2.24 0.71 -7.23 0.07 -0.50 120.40 112.01 1qwn s VAL 573 Ca 0.32 -1.65 0.22 0.00 -1.81 0.00 0.00 61.98 59.06 1qwn s VAL 573 Cb -0.19 -1.39 0.50 0.00 0.56 0.00 0.00 36.38 35.87 1qwn s VAL 573 CO 0.18 -0.52 1.64 -1.54 -0.31 0.00 0.00 175.10 174.55 1qwn n SER 574 N 0.56 1.25 -3.83 4.85 3.41 -0.60 -0.84 113.62 118.42 1qwn n SER 574 Ca -0.16 -1.59 -0.12 0.00 -0.26 0.00 0.00 58.87 56.74 1qwn n SER 574 Cb 0.57 -0.06 -0.10 0.00 -0.26 0.00 0.00 64.21 64.36 1qwn n SER 574 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1qwn s SER 575 N -1.65 -0.06 0.03 4.04 0.15 -1.26 -4.72 113.70 110.22 1qwn s SER 575 Ca 0.33 -0.05 0.28 0.00 0.70 0.00 0.00 55.95 57.21 1qwn s SER 575 Cb 0.17 0.26 1.01 0.00 -1.71 0.00 0.00 66.02 65.75 1qwn s SER 575 CO 0.27 -0.36 1.78 -0.81 1.20 0.00 0.00 173.24 175.33 1qwn n PRO 576 N 1.58 0.04 -3.00 5.44 -0.04 -1.26 -4.43 135.00 133.33 1qwn n PRO 576 Ca -0.21 0.03 -0.44 0.00 -0.04 0.00 0.00 63.50 62.84 1qwn n PRO 576 Cb 0.56 -1.54 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 1qwn n PRO 576 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1qwn n PHE 577 N -1.61 3.62 -4.57 0.54 0.99 -1.26 -4.94 117.46 110.23 1qwn n PHE 577 Ca 0.06 -3.12 -0.22 0.00 -0.00 0.00 0.00 57.45 54.18 1qwn n PHE 577 Cb 0.35 -1.62 -0.15 0.00 -1.00 0.00 0.00 39.48 37.07 1qwn n PHE 577 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.76 176.84 1qwn s VAL 578 N -1.32 1.00 0.23 -4.37 1.01 -1.26 -1.02 120.40 114.67 1qwn s VAL 578 Ca 0.34 -0.53 0.08 0.00 0.00 0.00 0.00 61.98 61.87 1qwn s VAL 578 Cb 0.00 -0.85 -0.05 0.00 0.00 0.00 0.00 36.38 35.48 1qwn s VAL 578 CO 0.02 0.29 -0.13 -0.94 0.00 0.00 0.00 175.10 174.34 1qwn s SER 579 N -0.20 2.69 -0.02 3.32 1.04 -0.28 -4.80 113.70 115.45 1qwn s SER 579 Ca 0.03 -1.06 0.06 0.00 0.48 0.00 0.00 55.95 55.47 1qwn s SER 579 Cb -0.06 -0.15 -0.03 0.00 0.10 0.00 0.00 66.02 65.88 1qwn s SER 579 CO -0.00 -0.19 -0.20 -0.69 0.98 0.00 0.00 173.24 173.13 1qwn s VAL 580 N -2.95 2.57 0.08 5.02 1.01 -1.26 -0.98 120.40 123.90 1qwn s VAL 580 Ca 0.25 -1.00 0.02 0.00 0.00 0.00 0.00 61.98 61.25 1qwn s VAL 580 Cb -0.00 -1.98 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 1qwn s VAL 580 CO 0.09 0.53 -0.07 0.42 0.00 0.00 0.00 175.10 176.06 1qwn s THR 581 N -0.73 0.65 0.76 3.92 -4.23 -0.59 -0.72 115.64 114.71 1qwn s THR 581 Ca 0.12 -1.67 -0.03 0.00 -1.18 0.00 0.00 61.69 58.92 1qwn s THR 581 Cb -0.10 -1.35 0.14 0.00 1.34 0.00 0.00 72.50 72.53 1qwn s THR 581 CO 0.01 -0.72 1.05 1.51 -0.54 0.00 0.00 174.62 175.93 1qwn s ASP 582 N -2.59 4.11 0.13 3.99 3.84 -0.59 -0.71 116.67 124.85 1qwn s ASP 582 Ca 0.05 -0.32 0.22 0.00 -0.00 0.00 0.00 52.55 52.50 1qwn s ASP 582 Cb 0.01 0.02 0.87 0.00 -1.38 0.00 0.00 42.92 42.44 1qwn s ASP 582 CO -0.03 -2.03 1.67 -0.11 -0.00 0.00 0.00 175.17 174.67 1qwn n LEU 583 N -2.99 0.38 -0.30 2.11 7.94 -1.21 -1.01 117.00 121.91 1qwn n LEU 583 Ca 0.16 0.57 0.03 0.00 -1.11 0.00 0.00 56.01 55.66 1qwn n LEU 583 Cb 0.60 -0.50 0.12 0.00 0.53 0.00 0.00 43.42 44.17 1qwn n LEU 583 CO 0.42 -0.32 0.59 0.00 -1.11 0.00 0.00 177.39 176.97 1qwn n ALA 584 N -1.65 2.48 -1.45 1.96 0.00 -1.26 -4.88 120.51 115.72 1qwn n ALA 584 Ca 0.04 -0.29 -0.12 0.00 0.00 0.00 0.00 53.44 53.06 1qwn n ALA 584 Cb 0.25 -1.01 -0.05 0.00 0.00 0.00 0.00 19.45 18.65 1qwn n ALA 584 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1qwn n ASN 585 N -0.04 -4.44 -4.72 0.00 3.02 -0.18 -5.00 115.26 103.90 1qwn n ASN 585 Ca 0.07 0.28 -0.42 0.00 -0.03 0.00 0.00 54.58 54.47 1qwn n ASN 585 Cb 0.14 -3.10 -0.04 0.00 -0.61 0.00 0.00 39.78 36.18 1qwn n ASN 585 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1qwn s ASN 586 N -2.82 7.43 0.61 6.41 0.01 -1.26 -4.79 114.94 120.52 1qwn s ASN 586 Ca 0.00 1.73 -0.19 0.00 -0.71 0.00 0.00 52.86 53.70 1qwn s ASN 586 Cb 0.00 -2.58 -0.03 0.00 0.41 0.00 0.00 41.25 39.05 1qwn s ASN 586 CO 0.00 -0.17 1.24 -2.84 -1.51 0.00 0.00 177.10 173.82 1qwn s PRO 587 N 0.51 2.86 -0.07 -0.60 0.02 -1.26 -1.54 135.00 134.92 1qwn s PRO 587 Ca 0.50 1.91 0.03 0.00 0.02 0.00 0.00 61.00 63.46 1qwn s PRO 587 Cb -0.22 -1.92 0.01 0.00 0.02 0.00 0.00 34.50 32.39 1qwn s PRO 587 CO 0.29 -1.31 -0.15 0.08 -0.33 0.00 0.00 177.00 175.57 1qwn s VAL 588 N -1.52 1.39 0.30 3.83 1.01 0.11 -4.85 120.40 120.67 1qwn s VAL 588 Ca 0.79 -0.63 -0.29 0.00 0.00 0.00 0.00 61.98 61.85 1qwn s VAL 588 Cb -0.33 -1.24 -0.11 0.00 0.00 0.00 0.00 36.38 34.70 1qwn s VAL 588 CO 0.35 0.41 1.49 -0.70 0.00 0.00 0.00 175.10 176.66 1qwn s GLU 589 N 0.58 4.19 0.08 2.72 2.12 -1.26 -4.27 118.70 122.85 1qwn s GLU 589 Ca -0.16 2.45 0.00 0.00 0.36 0.00 0.00 54.97 57.63 1qwn s GLU 589 Cb -0.16 -3.04 -0.04 0.00 0.26 0.00 0.00 34.13 31.14 1qwn s GLU 589 CO 0.05 -0.50 -0.04 0.00 -0.54 0.00 0.00 175.26 174.23 1qwn s ALA 590 N -0.36 0.75 -0.03 6.30 0.00 -0.22 -4.29 121.76 123.90 1qwn s ALA 590 Ca 0.58 -1.29 0.04 0.00 0.00 0.00 0.00 51.96 51.29 1qwn s ALA 590 Cb -0.45 0.24 -0.00 0.00 0.00 0.00 0.00 23.12 22.91 1qwn s ALA 590 CO 0.50 -0.31 -0.14 -1.14 0.00 0.00 0.00 175.76 174.67 1qwn s GLN 591 N -3.89 1.43 -0.10 0.00 0.74 0.08 -1.12 119.66 116.81 1qwn s GLN 591 Ca 0.10 -0.49 0.00 0.00 0.05 0.00 0.00 55.36 55.02 1qwn s GLN 591 Cb 0.07 -1.28 -0.03 0.00 1.10 0.00 0.00 33.01 32.87 1qwn s GLN 591 CO -0.07 0.20 -0.09 0.08 -0.55 0.00 0.00 175.29 174.86 1qwn s VAL 592 N 0.08 3.52 0.15 1.34 1.01 0.10 -0.19 120.40 126.41 1qwn s VAL 592 Ca -0.03 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.46 1qwn s VAL 592 Cb -0.10 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 1qwn s VAL 592 CO 0.01 0.56 -0.07 -0.44 0.00 0.00 0.00 175.10 175.16 1qwn s SER 593 N -0.31 1.62 0.90 3.32 0.01 -0.24 -1.73 113.70 117.27 1qwn s SER 593 Ca 0.04 -1.05 -0.12 0.00 1.31 0.00 0.00 55.95 56.12 1qwn s SER 593 Cb -0.13 0.03 0.13 0.00 0.21 0.00 0.00 66.02 66.26 1qwn s SER 593 CO 0.02 -0.40 1.12 -2.84 0.41 0.00 0.00 173.24 171.55 1qwn s PRO 594 N -3.80 1.20 -0.34 12.44 0.02 -1.26 -0.66 135.00 142.60 1qwn s PRO 594 Ca 0.18 0.43 -0.13 0.00 0.02 0.00 0.00 61.00 61.51 1qwn s PRO 594 Cb 0.04 -1.83 -0.02 0.00 0.02 0.00 0.00 34.50 32.71 1qwn s PRO 594 CO 0.01 -2.19 0.24 0.08 -0.33 0.00 0.00 177.00 174.81 1qwn s VAL 595 N -3.17 5.27 -0.15 3.83 1.01 -1.26 -4.44 120.40 121.49 1qwn s VAL 595 Ca 0.63 -0.24 -0.05 0.00 0.00 0.00 0.00 61.98 62.32 1qwn s VAL 595 Cb -0.16 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 1qwn s VAL 595 CO 0.55 -0.03 0.00 0.26 0.00 0.00 0.00 175.10 175.88 1qwn s TRP 596 N 1.72 3.12 -0.02 5.22 0.52 -1.26 -1.49 118.94 126.75 1qwn s TRP 596 Ca 0.06 -0.09 0.05 0.00 0.02 0.00 0.00 56.10 56.14 1qwn s TRP 596 Cb -0.17 -1.97 -0.01 0.00 -1.15 0.00 0.00 33.47 30.17 1qwn s TRP 596 CO 0.10 0.11 -0.17 -1.54 0.02 0.00 0.00 176.95 175.48 1qwn s SER 597 N 0.15 2.01 -0.07 2.95 1.04 -0.21 -4.94 113.70 114.63 1qwn s SER 597 Ca 0.01 -0.31 -0.12 0.00 0.48 0.00 0.00 55.95 56.01 1qwn s SER 597 Cb -0.13 -0.30 -0.05 0.00 0.10 0.00 0.00 66.02 65.64 1qwn s SER 597 CO 0.02 0.19 0.30 0.26 0.98 0.00 0.00 173.24 174.99 1qwn s TRP 598 N -0.30 3.63 -0.03 5.02 0.52 -1.26 0.05 118.94 126.58 1qwn s TRP 598 Ca 0.04 0.76 0.04 0.00 0.02 0.00 0.00 56.10 56.96 1qwn s TRP 598 Cb -0.08 -2.18 -0.01 0.00 -1.15 0.00 0.00 33.47 30.05 1qwn s TRP 598 CO -0.00 0.59 -0.15 -1.01 0.02 0.00 0.00 176.95 176.40 1qwn s HIS 599 N -0.75 1.45 -0.53 -1.98 3.76 -0.31 -4.96 115.29 111.97 1qwn s HIS 599 Ca 0.19 -0.36 -0.21 0.00 -0.15 0.00 0.00 55.06 54.53 1qwn s HIS 599 Cb -0.14 -0.97 0.05 0.00 1.11 0.00 0.00 32.58 32.63 1qwn s HIS 599 CO 0.08 -0.10 0.76 -1.58 -0.85 0.00 0.00 174.74 173.05 1qwn s HIS 600 N -0.07 2.94 -0.71 1.40 2.46 -1.26 -1.71 115.29 118.33 1qwn s HIS 600 Ca -0.00 -0.35 -0.27 0.00 0.47 0.00 0.00 55.06 54.91 1qwn s HIS 600 Cb -0.09 -3.78 0.03 0.00 -0.13 0.00 0.00 32.58 28.61 1qwn s HIS 600 CO 0.01 -1.18 1.28 0.34 -2.47 0.00 0.00 174.74 172.72 1qwn s ASP 601 N 2.81 6.19 0.13 9.88 -1.08 0.16 -4.87 116.67 129.88 1qwn s ASP 601 Ca 0.21 -0.32 0.19 0.00 -0.52 0.00 0.00 52.55 52.11 1qwn s ASP 601 Cb -0.17 -2.56 0.79 0.00 -1.46 0.00 0.00 42.92 39.53 1qwn s ASP 601 CO 0.14 -1.79 1.58 0.35 0.52 0.00 0.00 175.17 175.98 1qwn n THR 602 N 6.46 0.93 -0.10 1.71 -2.24 -1.26 -0.22 114.28 119.56 1qwn n THR 602 Ca 0.05 0.25 -0.19 0.00 -2.27 0.00 0.00 64.05 61.89 1qwn n THR 602 Cb 0.49 -1.10 -0.11 0.00 -2.10 0.00 0.00 70.33 67.52 1qwn n THR 602 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1qwn h LEU 603 N 0.00 0.00 -0.01 3.22 -0.00 -1.95 -3.38 115.31 113.19 1qwn h LEU 603 Ca 0.00 -0.52 0.00 0.00 -0.00 0.00 0.00 57.88 57.36 1qwn h LEU 603 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.96 1qwn h LEU 603 CO 0.00 1.34 -0.24 0.35 -0.00 0.00 0.00 178.44 179.88 1qwn n THR 604 N -4.48 0.00 -3.48 0.22 -2.24 -1.22 -4.94 114.28 98.15 1qwn n THR 604 Ca -0.26 -0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.30 1qwn n THR 604 Cb 0.60 -0.13 0.07 0.00 -2.10 0.00 0.00 70.33 68.78 1qwn n THR 604 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1qwn n LYS 605 N -1.48 -7.15 -4.19 -0.78 4.76 0.69 -5.02 118.16 105.00 1qwn n LYS 605 Ca 0.06 0.75 -0.11 0.00 -2.87 0.00 0.00 58.31 56.15 1qwn n LYS 605 Cb 0.34 -5.57 -0.10 0.00 -1.84 0.00 0.00 35.03 27.85 1qwn n LYS 605 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1qwn s THR 606 N -3.29 0.79 -0.27 -0.18 -4.23 -1.14 -4.98 115.64 102.33 1qwn s THR 606 Ca 0.49 -1.96 -0.05 0.00 -1.18 0.00 0.00 61.69 58.99 1qwn s THR 606 Cb -0.21 -1.73 0.01 0.00 1.34 0.00 0.00 72.50 71.91 1qwn s THR 606 CO 0.66 -0.84 0.02 -0.63 -0.54 0.00 0.00 174.62 173.30 1qwn s ILE 607 N -3.57 3.58 0.07 2.99 1.01 -1.26 -0.67 121.20 123.36 1qwn s ILE 607 Ca 0.13 -0.76 -0.08 0.00 0.00 0.00 0.00 60.65 59.94 1qwn s ILE 607 Cb 0.05 -2.82 -0.00 0.00 0.01 0.00 0.00 42.46 39.70 1qwn s ILE 607 CO -0.03 0.16 0.17 -1.38 0.00 0.00 0.00 174.94 173.85 1qwn s HIS 608 N 1.45 0.17 0.14 3.97 -3.43 -0.70 -4.40 115.29 112.48 1qwn s HIS 608 Ca 0.02 -0.56 -0.13 0.00 -0.80 0.00 0.00 55.06 53.59 1qwn s HIS 608 Cb -0.17 -0.09 -0.07 0.00 -1.43 0.00 0.00 32.58 30.83 1qwn s HIS 608 CO -0.00 -0.50 0.52 -1.25 -2.00 0.00 0.00 174.74 171.51 1qwn s PRO 609 N -3.56 3.94 -0.06 -0.38 0.04 -1.26 -1.16 135.00 132.56 1qwn s PRO 609 Ca 0.03 0.43 0.05 0.00 0.04 0.00 0.00 61.00 61.55 1qwn s PRO 609 Cb 0.04 -2.94 -0.02 0.00 0.04 0.00 0.00 34.50 31.62 1qwn s PRO 609 CO -0.09 0.49 -0.20 -0.65 0.04 0.00 0.00 177.00 176.59 1qwn s GLN 610 N -1.96 2.54 0.02 4.56 -1.52 0.11 -4.93 119.66 118.48 1qwn s GLN 610 Ca 0.37 -0.81 0.00 0.00 -1.95 0.00 0.00 55.36 52.97 1qwn s GLN 610 Cb -0.15 -2.27 -0.04 0.00 -0.22 0.00 0.00 33.01 30.33 1qwn s GLN 610 CO 0.19 0.49 0.11 0.20 -0.25 0.00 0.00 175.29 176.03 1qwn s GLY 611 N -0.41 2.06 0.33 3.09 0.00 -1.26 -1.05 107.32 110.08 1qwn s GLY 611 Ca 0.04 -0.89 -0.26 0.00 0.00 0.00 0.00 44.72 43.61 1qwn s GLY 611 CO 0.02 -0.80 0.98 -0.45 0.00 0.00 0.00 173.10 172.84 1qwn s SER 612 N -1.99 7.23 0.00 1.64 0.15 -0.55 -4.92 113.70 115.25 1qwn s SER 612 Ca 0.26 1.92 0.17 0.00 0.70 0.00 0.00 55.95 59.00 1qwn s SER 612 Cb -0.12 -2.59 0.41 0.00 -1.71 0.00 0.00 66.02 62.01 1qwn s SER 612 CO 0.18 -0.15 1.33 0.35 1.20 0.00 0.00 173.24 176.15 1qwn n THR 613 N 0.53 0.78 -0.72 6.45 -2.24 -1.26 -4.56 114.28 113.26 1qwn n THR 613 Ca 0.02 -0.89 0.00 0.00 -2.27 0.00 0.00 64.05 60.91 1qwn n THR 613 Cb 0.49 0.69 0.00 0.00 -2.10 0.00 0.00 70.33 69.41 1qwn n THR 613 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1qwn n THR 614 N 1.08 0.00 -4.40 4.28 -2.24 -1.26 -4.27 114.28 107.48 1qwn n THR 614 Ca 0.17 -0.04 -0.20 0.00 -2.27 0.00 0.00 64.05 61.70 1qwn n THR 614 Cb 0.51 1.72 -0.14 0.00 -2.10 0.00 0.00 70.33 70.32 1qwn n THR 614 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1qwn s LYS 615 N -0.02 0.92 0.06 -0.78 1.02 -1.26 -4.50 119.74 115.18 1qwn s LYS 615 Ca 0.00 -0.65 -0.00 0.00 0.02 0.00 0.00 55.97 55.34 1qwn s LYS 615 Cb 0.00 -0.91 -0.04 0.00 -0.52 0.00 0.00 37.83 36.36 1qwn s LYS 615 CO 0.00 0.23 -0.04 0.71 -0.92 0.00 0.00 175.35 175.33 1qwn s TYR 616 N -0.68 0.61 -0.21 3.18 1.51 -0.02 -4.05 117.35 117.69 1qwn s TYR 616 Ca 0.02 -1.00 -0.09 0.00 -1.01 0.00 0.00 57.07 54.99 1qwn s TYR 616 Cb -0.07 -0.41 -0.05 0.00 -0.11 0.00 0.00 41.96 41.32 1qwn s TYR 616 CO 0.01 -0.31 0.12 1.03 -1.11 0.00 0.00 175.55 175.29 1qwn s ARG 617 N -3.75 4.07 -0.11 -0.62 0.52 0.17 -0.75 118.95 118.47 1qwn s ARG 617 Ca 0.07 -0.28 -0.02 0.00 -0.52 0.00 0.00 55.73 54.98 1qwn s ARG 617 Cb 0.06 -3.39 -0.03 0.00 0.52 0.00 0.00 34.95 32.11 1qwn s ARG 617 CO -0.08 0.20 -0.04 -1.50 0.02 0.00 0.00 175.30 173.90 1qwn s ILE 618 N 0.62 3.88 -0.05 1.52 2.07 -0.17 -1.08 121.20 128.00 1qwn s ILE 618 Ca 0.06 -0.39 0.04 0.00 -1.41 0.00 0.00 60.65 58.95 1qwn s ILE 618 Cb -0.12 -2.65 0.00 0.00 0.13 0.00 0.00 42.46 39.82 1qwn s ILE 618 CO 0.01 0.55 -0.15 -0.63 -1.91 0.00 0.00 174.94 172.80 1qwn s ILE 619 N -0.26 1.33 0.18 2.00 1.01 0.73 -1.20 121.20 124.99 1qwn s ILE 619 Ca 0.04 -0.64 -0.15 0.00 0.00 0.00 0.00 60.65 59.91 1qwn s ILE 619 Cb -0.13 -1.16 0.02 0.00 0.01 0.00 0.00 42.46 41.20 1qwn s ILE 619 CO 0.02 0.39 0.44 0.72 0.00 0.00 0.00 174.94 176.52 1qwn s PHE 620 N 0.25 0.01 -0.28 3.97 -0.12 -0.66 -0.74 117.98 120.41 1qwn s PHE 620 Ca -0.08 -0.36 -0.22 0.00 -0.05 0.00 0.00 56.93 56.23 1qwn s PHE 620 Cb -0.13 0.26 -0.01 0.00 -0.63 0.00 0.00 43.02 42.51 1qwn s PHE 620 CO 0.03 -0.84 0.71 0.21 -0.05 0.00 0.00 175.22 175.28 1qwn s LYS 621 N -3.89 4.04 0.02 1.99 2.20 -1.26 -0.83 119.74 122.02 1qwn s LYS 621 Ca 0.10 0.57 -0.14 0.00 -0.36 0.00 0.00 55.97 56.15 1qwn s LYS 621 Cb 0.01 -3.69 -0.06 0.00 -1.51 0.00 0.00 37.83 32.58 1qwn s LYS 621 CO -0.03 -0.54 0.42 0.00 -0.36 0.00 0.00 175.35 174.84 1qwn s ALA 622 N 2.71 3.70 -0.16 3.13 0.00 -0.29 -4.92 121.76 125.92 1qwn s ALA 622 Ca 0.29 -0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.02 1qwn s ALA 622 Cb -0.15 -2.37 0.02 0.00 0.00 0.00 0.00 23.12 20.62 1qwn s ALA 622 CO 0.10 0.50 -0.17 0.50 0.00 0.00 0.00 175.76 176.69 1qwn s ARG 623 N -1.28 2.57 -0.02 0.00 3.52 -1.26 -1.82 118.95 120.66 1qwn s ARG 623 Ca 0.26 -0.67 0.04 0.00 -0.13 0.00 0.00 55.73 55.24 1qwn s ARG 623 Cb -0.16 -2.28 -0.01 0.00 -1.56 0.00 0.00 34.95 30.94 1qwn s ARG 623 CO 0.15 -0.22 -0.14 0.08 -0.81 0.00 0.00 175.30 174.36 1qwn s VAL 624 N 1.39 1.11 0.94 7.11 1.01 -0.14 -4.81 120.40 127.01 1qwn s VAL 624 Ca 0.05 -0.58 -0.11 0.00 0.00 0.00 0.00 61.98 61.34 1qwn s VAL 624 Cb -0.13 -0.94 0.16 0.00 0.00 0.00 0.00 36.38 35.47 1qwn s VAL 624 CO -0.11 0.32 1.09 -2.84 0.00 0.00 0.00 175.10 173.56 1qwn s PRO 625 N -0.17 0.85 0.21 2.72 0.02 -1.26 -1.70 135.00 135.67 1qwn s PRO 625 Ca 0.02 1.06 -0.32 0.00 0.02 0.00 0.00 61.00 61.78 1qwn s PRO 625 Cb -0.07 -1.74 -0.12 0.00 0.02 0.00 0.00 34.50 32.58 1qwn s PRO 625 CO 0.00 -2.59 1.67 -2.30 -0.33 0.00 0.00 177.00 173.45 1qwn n PRO 626 N -4.15 2.64 -4.16 5.54 -0.02 -1.25 -2.06 135.00 131.54 1qwn n PRO 626 Ca 0.08 0.95 -0.33 0.00 -2.02 0.00 0.00 63.50 62.17 1qwn n PRO 626 Cb 0.54 -2.77 -0.03 0.00 -0.02 0.00 0.00 33.50 31.22 1qwn n PRO 626 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1qwn n MET 627 N 3.53 -3.11 -2.47 -0.52 2.81 -0.38 -4.76 117.12 112.23 1qwn n MET 627 Ca 0.15 0.37 -0.05 0.00 -1.81 0.00 0.00 57.70 56.36 1qwn n MET 627 Cb 0.34 -4.88 -0.02 0.00 -0.71 0.00 0.00 33.22 27.96 1qwn n MET 627 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1qwn n GLY 628 N -1.61 3.86 3.12 3.03 0.00 -0.87 -4.82 105.19 107.89 1qwn n GLY 628 Ca -0.04 -1.82 -0.16 0.00 0.00 0.00 0.00 46.02 43.99 1qwn n GLY 628 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qwn s LEU 629 N 0.00 2.25 -0.03 0.99 1.43 -0.27 -1.31 118.68 121.74 1qwn s LEU 629 Ca 0.06 -0.56 -0.01 0.00 -1.03 0.00 0.00 54.13 52.60 1qwn s LEU 629 Cb 0.00 -0.37 0.03 0.00 0.03 0.00 0.00 46.19 45.88 1qwn s LEU 629 CO 0.04 -0.11 0.05 0.00 0.23 0.00 0.00 176.35 176.56 1qwn s ALA 630 N -1.24 -0.01 -0.14 4.21 0.00 -0.39 -1.32 121.76 122.88 1qwn s ALA 630 Ca -0.05 0.33 -0.07 0.00 0.00 0.00 0.00 51.96 52.17 1qwn s ALA 630 Cb -0.10 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 1qwn s ALA 630 CO 0.01 -0.10 0.10 0.99 0.00 0.00 0.00 175.76 176.77 1qwn s THR 631 N 0.89 5.17 0.21 0.00 2.01 -0.50 -0.95 115.64 122.47 1qwn s THR 631 Ca -0.07 0.09 0.04 0.00 0.31 0.00 0.00 61.69 62.05 1qwn s THR 631 Cb -0.10 -3.27 -0.05 0.00 0.01 0.00 0.00 72.50 69.09 1qwn s THR 631 CO -0.03 0.56 -0.03 -0.31 -0.69 0.00 0.00 174.62 174.13 1qwn s TYR 632 N -0.56 1.49 -0.05 4.92 1.51 0.11 -3.34 117.35 121.42 1qwn s TYR 632 Ca 0.12 -0.89 0.04 0.00 -1.01 0.00 0.00 57.07 55.33 1qwn s TYR 632 Cb -0.12 -0.84 0.00 0.00 -0.11 0.00 0.00 41.96 40.90 1qwn s TYR 632 CO 0.02 -0.01 -0.15 0.08 -1.11 0.00 0.00 175.55 174.38 1qwn s VAL 633 N -3.40 1.29 -0.20 0.71 1.01 0.11 -1.04 120.40 118.88 1qwn s VAL 633 Ca 0.26 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.56 1qwn s VAL 633 Cb 0.05 -1.13 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 1qwn s VAL 633 CO 0.07 0.38 0.01 -0.76 0.00 0.00 0.00 175.10 174.80 1qwn s LEU 634 N 0.18 3.34 -0.04 3.92 1.02 0.03 -1.55 118.68 125.58 1qwn s LEU 634 Ca -0.06 -0.16 0.04 0.00 0.02 0.00 0.00 54.13 53.97 1qwn s LEU 634 Cb -0.12 -1.85 -0.00 0.00 0.02 0.00 0.00 46.19 44.24 1qwn s LEU 634 CO 0.02 0.08 -0.17 -0.89 0.02 0.00 0.00 176.35 175.42 1qwn s THR 635 N 0.91 1.41 0.35 5.49 2.01 -0.15 -0.84 115.64 124.81 1qwn s THR 635 Ca 0.01 -0.70 -0.12 0.00 0.31 0.00 0.00 61.69 61.19 1qwn s THR 635 Cb -0.14 -1.21 -0.08 0.00 0.01 0.00 0.00 72.50 71.08 1qwn s THR 635 CO 0.02 0.41 0.73 -0.51 -0.69 0.00 0.00 174.62 174.57 1qwn s ILE 636 N 0.07 4.75 0.18 1.82 2.07 -0.53 -1.12 121.20 128.44 1qwn s ILE 636 Ca -0.04 0.75 0.00 0.00 -1.41 0.00 0.00 60.65 59.94 1qwn s ILE 636 Cb -0.12 -3.66 -0.04 0.00 0.13 0.00 0.00 42.46 38.77 1qwn s ILE 636 CO 0.02 -0.31 0.07 -0.94 -1.91 0.00 0.00 174.94 171.86 1qwn s SER 637 N -2.66 0.63 0.36 4.50 1.04 -0.19 -4.95 113.70 112.44 1qwn s SER 637 Ca 0.52 -1.27 0.24 0.00 0.48 0.00 0.00 55.95 55.93 1qwn s SER 637 Cb -0.10 0.25 0.54 0.00 0.10 0.00 0.00 66.02 66.80 1qwn s SER 637 CO 0.24 -0.72 1.68 -2.24 0.98 0.00 0.00 173.24 173.18 1qwn h ASP 638 N 2.69 0.00 -5.80 7.02 2.03 -1.99 -3.44 116.42 116.94 1qwn h ASP 638 Ca -0.36 0.00 -0.40 0.00 -0.73 0.00 0.00 57.03 55.54 1qwn h ASP 638 Cb 1.22 0.00 -0.13 0.00 -0.83 0.00 0.00 39.33 39.59 1qwn h ASP 638 CO 0.59 0.00 -0.48 -0.94 -1.03 0.00 0.00 179.24 177.38 1qwn s SER 639 N -5.61 1.28 -0.21 4.15 1.04 -1.26 -5.02 113.70 108.07 1qwn s SER 639 Ca 0.08 -1.65 -0.37 0.00 0.48 0.00 0.00 55.95 54.49 1qwn s SER 639 Cb 0.08 0.53 -0.14 0.00 0.10 0.00 0.00 66.02 66.59 1qwn s SER 639 CO 0.64 -1.04 1.83 0.29 0.98 0.00 0.00 173.24 175.94 1qwn n LYS 640 N -0.54 1.57 -2.33 4.02 5.02 -1.26 -4.85 118.16 119.79 1qwn n LYS 640 Ca 0.06 0.57 -0.35 0.00 -2.02 0.00 0.00 58.31 56.57 1qwn n LYS 640 Cb 0.63 -2.35 -0.01 0.00 -0.02 0.00 0.00 35.03 33.28 1qwn n LYS 640 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1qwn s PRO 641 N 3.95 3.47 0.35 1.97 0.02 -1.26 -4.96 135.00 138.53 1qwn s PRO 641 Ca 0.97 1.54 0.03 0.00 0.02 0.00 0.00 61.00 63.56 1qwn s PRO 641 Cb -0.90 -2.03 0.66 0.00 0.02 0.00 0.00 34.50 32.25 1qwn s PRO 641 CO 0.59 -0.74 1.99 1.49 -0.33 0.00 0.00 177.00 180.00 1qwn h GLU 642 N 1.27 0.82 -0.57 5.54 4.81 -1.98 -3.01 114.58 121.46 1qwn h GLU 642 Ca -0.50 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 1qwn h GLU 642 Cb 1.25 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.45 1qwn h GLU 642 CO 0.57 0.54 0.00 0.72 -0.73 0.00 0.00 179.01 180.11 1qwn n HIS 643 N -4.45 1.68 -4.98 0.92 8.25 -1.26 -4.89 115.22 110.48 1qwn n HIS 643 Ca 0.08 -0.69 -0.31 0.00 -0.26 0.00 0.00 57.72 56.55 1qwn n HIS 643 Cb 0.12 -0.37 -0.17 0.00 1.12 0.00 0.00 29.99 30.69 1qwn n HIS 643 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1qwn s THR 644 N -2.34 1.89 0.34 1.59 2.01 -1.14 -1.06 115.64 116.93 1qwn s THR 644 Ca 0.51 -0.91 0.08 0.00 0.31 0.00 0.00 61.69 61.68 1qwn s THR 644 Cb 0.37 -1.65 -0.04 0.00 0.01 0.00 0.00 72.50 71.19 1qwn s THR 644 CO 0.19 0.52 0.20 -0.94 -0.69 0.00 0.00 174.62 173.90 1qwn s SER 645 N 0.51 4.93 -0.07 3.53 1.04 -0.28 -4.66 113.70 118.70 1qwn s SER 645 Ca -0.16 -0.66 0.05 0.00 0.48 0.00 0.00 55.95 55.66 1qwn s SER 645 Cb -0.17 -0.83 -0.00 0.00 0.10 0.00 0.00 66.02 65.12 1qwn s SER 645 CO 0.06 -0.32 -0.22 -0.31 0.98 0.00 0.00 173.24 173.43 1qwn s TYR 646 N -2.38 2.22 0.56 5.02 1.51 -1.26 -0.72 117.35 122.30 1qwn s TYR 646 Ca 0.39 -0.75 -0.18 0.00 -1.01 0.00 0.00 57.07 55.52 1qwn s TYR 646 Cb -0.04 -1.48 -0.05 0.00 -0.11 0.00 0.00 41.96 40.28 1qwn s TYR 646 CO 0.24 -0.27 1.09 0.00 -1.11 0.00 0.00 175.55 175.50 1qwn s ALA 647 N 0.10 2.71 0.38 3.71 0.00 -0.70 -4.93 121.76 123.03 1qwn s ALA 647 Ca -0.09 0.64 -0.03 0.00 0.00 0.00 0.00 51.96 52.48 1qwn s ALA 647 Cb -0.15 -3.30 -0.04 0.00 0.00 0.00 0.00 23.12 19.63 1qwn s ALA 647 CO 0.05 -0.75 0.64 -1.54 0.00 0.00 0.00 175.76 174.16 1qwn s SER 648 N -2.16 6.32 -0.02 0.00 1.04 0.11 -4.82 113.70 114.17 1qwn s SER 648 Ca 0.69 0.67 0.00 0.00 0.48 0.00 0.00 55.95 57.79 1qwn s SER 648 Cb -0.20 -2.13 0.02 0.00 0.10 0.00 0.00 66.02 63.81 1qwn s SER 648 CO 0.29 -0.38 0.00 0.20 0.98 0.00 0.00 173.24 174.34 1qwn s ASN 649 N -3.89 0.26 -0.12 7.02 0.01 -1.26 -1.08 114.94 115.88 1qwn s ASN 649 Ca 0.43 -0.01 -0.01 0.00 -0.71 0.00 0.00 52.86 52.57 1qwn s ASN 649 Cb -0.10 -0.13 0.03 0.00 0.41 0.00 0.00 41.25 41.46 1qwn s ASN 649 CO 0.38 -0.08 -0.05 -0.22 -1.51 0.00 0.00 177.10 175.62 1qwn s LEU 650 N 0.77 1.19 -0.32 0.60 2.96 0.28 -0.69 118.68 123.47 1qwn s LEU 650 Ca -0.07 -0.37 -0.12 0.00 -0.22 0.00 0.00 54.13 53.35 1qwn s LEU 650 Cb -0.10 -0.78 -0.02 0.00 0.50 0.00 0.00 46.19 45.79 1qwn s LEU 650 CO -0.02 -0.15 0.21 -0.22 -1.32 0.00 0.00 176.35 174.85 1qwn s LEU 651 N 1.74 4.34 -0.34 -0.68 2.96 0.35 -0.60 118.68 126.46 1qwn s LEU 651 Ca 0.04 -0.41 -0.11 0.00 -0.22 0.00 0.00 54.13 53.42 1qwn s LEU 651 Cb -0.13 -2.09 -0.00 0.00 0.50 0.00 0.00 46.19 44.46 1qwn s LEU 651 CO -0.08 -0.20 0.20 -0.76 -1.32 0.00 0.00 176.35 174.18 1qwn s LEU 652 N 1.69 4.39 -0.19 -0.68 1.43 0.56 -1.97 118.68 123.91 1qwn s LEU 652 Ca 0.06 -0.60 -0.33 0.00 -1.03 0.00 0.00 54.13 52.23 1qwn s LEU 652 Cb -0.17 -2.05 0.15 0.00 0.03 0.00 0.00 46.19 44.14 1qwn s LEU 652 CO 0.09 -0.25 1.18 0.00 0.23 0.00 0.00 176.35 177.60 1qwn s ARG 653 N 1.64 0.34 0.46 1.70 1.70 -0.17 -1.83 118.95 122.78 1qwn s ARG 653 Ca 0.05 -0.05 -0.12 0.00 -0.47 0.00 0.00 55.73 55.13 1qwn s ARG 653 Cb -0.18 0.16 -0.06 0.00 -0.57 0.00 0.00 34.95 34.30 1qwn s ARG 653 CO 0.08 -0.13 0.86 0.15 -1.08 0.00 0.00 175.30 175.17 1qwn s LYS 654 N -1.93 3.80 -1.08 3.89 1.02 -1.26 -4.30 119.74 119.89 1qwn s LYS 654 Ca 0.07 0.62 -0.01 0.00 0.02 0.00 0.00 55.97 56.67 1qwn s LYS 654 Cb -0.01 -2.29 -0.01 0.00 -0.52 0.00 0.00 37.83 35.00 1qwn s LYS 654 CO -0.05 -0.17 0.90 -1.71 -0.92 0.00 0.00 175.35 173.41 1qwn n ASN 655 N -1.58 -2.75 -4.86 2.83 5.15 -1.26 -4.98 115.26 107.81 1qwn n ASN 655 Ca 0.04 -0.58 -0.32 0.00 -0.60 0.00 0.00 54.58 53.12 1qwn n ASN 655 Cb 0.54 -4.75 -0.02 0.00 -0.53 0.00 0.00 39.78 35.02 1qwn n ASN 655 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1qwn s PRO 656 N -5.08 3.79 0.24 1.20 0.04 -1.26 -5.07 135.00 128.85 1qwn s PRO 656 Ca 0.07 0.84 0.07 0.00 0.04 0.00 0.00 61.00 62.03 1qwn s PRO 656 Cb -0.01 -2.12 -0.05 0.00 0.04 0.00 0.00 34.50 32.36 1qwn s PRO 656 CO 0.67 -0.39 -0.11 0.95 0.04 0.00 0.00 177.00 178.16 1qwn s THR 657 N -2.85 1.72 0.78 1.26 -4.23 -1.26 -5.13 115.64 105.92 1qwn s THR 657 Ca 0.57 -2.19 -0.14 0.00 -1.18 0.00 0.00 61.69 58.75 1qwn s THR 657 Cb -0.10 -2.21 0.06 0.00 1.34 0.00 0.00 72.50 71.58 1qwn s THR 657 CO 0.41 -0.47 1.18 -1.54 -0.54 0.00 0.00 174.62 173.66 1qwn n SER 658 N -0.47 1.09 -3.38 3.99 3.41 -1.26 -5.02 113.62 111.98 1qwn n SER 658 Ca -0.07 0.63 -0.26 0.00 -0.26 0.00 0.00 58.87 58.91 1qwn n SER 658 Cb 0.62 -1.50 -0.10 0.00 -0.26 0.00 0.00 64.21 62.96 1qwn n SER 658 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1qwn s LEU 659 N -5.09 1.23 0.52 1.04 1.43 -1.26 -5.11 118.68 111.45 1qwn s LEU 659 Ca 0.75 -2.89 -0.20 0.00 -1.03 0.00 0.00 54.13 50.76 1qwn s LEU 659 Cb -0.31 -0.34 -0.06 0.00 0.03 0.00 0.00 46.19 45.50 1qwn s LEU 659 CO 0.49 -0.19 1.13 -2.16 0.23 0.00 0.00 176.35 175.86 1qwn s PRO 660 N 0.24 3.48 -0.10 1.29 0.04 -1.26 -4.59 135.00 134.10 1qwn s PRO 660 Ca 0.31 1.64 0.16 0.00 0.04 0.00 0.00 61.00 63.15 1qwn s PRO 660 Cb -0.00 -2.11 0.36 0.00 0.04 0.00 0.00 34.50 32.79 1qwn s PRO 660 CO -0.16 -0.75 1.17 1.28 0.04 0.00 0.00 177.00 178.57 1qwn n LEU 661 N -1.08 1.70 0.00 -3.56 4.77 -1.26 -4.73 117.00 112.84 1qwn n LEU 661 Ca 0.10 -2.75 0.00 0.00 -0.03 0.00 0.00 56.01 53.34 1qwn n LEU 661 Cb 0.50 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 1qwn n LEU 661 CO 0.43 0.85 0.00 0.61 -1.33 0.00 0.00 177.39 177.95 1qwn n GLY 662 N -0.42 2.89 0.00 -0.72 0.00 -1.26 -2.04 105.19 103.64 1qwn n GLY 662 Ca 0.11 -0.23 0.14 0.00 0.00 0.00 0.00 46.02 46.05 1qwn n GLY 662 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1qwn n GLN 663 N 13.51 0.40 -1.65 1.61 6.02 -1.26 -4.84 117.38 131.16 1qwn n GLN 663 Ca 0.00 0.02 -0.50 0.00 -0.01 0.00 0.00 57.00 56.51 1qwn n GLN 663 Cb 0.00 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 29.71 1qwn n GLN 663 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 1qwn n TYR 664 N -1.29 2.03 0.49 1.08 9.36 -0.86 -4.87 117.16 123.09 1qwn n TYR 664 Ca 0.13 0.36 0.11 0.00 3.32 0.00 0.00 57.90 61.83 1qwn n TYR 664 Cb 0.22 -2.49 0.45 0.00 -0.63 0.00 0.00 39.34 36.89 1qwn n TYR 664 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 1qwn n PRO 665 N 4.06 0.16 -4.81 2.98 -0.04 -1.26 -4.72 135.00 131.37 1qwn n PRO 665 Ca 0.20 0.33 -0.33 0.00 -0.04 0.00 0.00 63.50 63.66 1qwn n PRO 665 Cb 0.24 -1.78 -0.14 0.00 -0.04 0.00 0.00 33.50 31.78 1qwn n PRO 665 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1qwn s GLU 666 N -3.21 3.16 0.28 0.54 2.12 -1.26 -5.10 118.70 115.24 1qwn s GLU 666 Ca 0.06 -0.69 -0.29 0.00 0.36 0.00 0.00 54.97 54.42 1qwn s GLU 666 Cb 0.10 -2.57 -0.09 0.00 0.26 0.00 0.00 34.13 31.83 1qwn s GLU 666 CO 0.41 0.32 1.04 -0.51 -0.54 0.00 0.00 175.26 175.98 1qwn s ASP 667 N 0.08 7.34 0.33 -1.70 1.01 -1.26 -4.93 116.67 117.54 1qwn s ASP 667 Ca -0.05 2.14 -0.29 0.00 0.71 0.00 0.00 52.55 55.05 1qwn s ASP 667 Cb -0.15 -2.62 -0.11 0.00 1.01 0.00 0.00 42.92 41.06 1qwn s ASP 667 CO 0.04 -0.08 1.43 -0.69 0.21 0.00 0.00 175.17 176.09 1qwn s VAL 668 N -1.23 2.36 0.14 -1.27 1.01 -1.26 -4.72 120.40 115.43 1qwn s VAL 668 Ca 0.45 0.35 0.03 0.00 0.00 0.00 0.00 61.98 62.81 1qwn s VAL 668 Cb -0.29 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.83 1qwn s VAL 668 CO 0.36 0.08 0.21 -0.54 0.00 0.00 0.00 175.10 175.21 1qwn s LYS 669 N -1.57 3.22 0.14 2.72 -0.14 0.13 -4.98 119.74 119.25 1qwn s LYS 669 Ca 0.54 -0.69 0.06 0.00 -1.36 0.00 0.00 55.97 54.52 1qwn s LYS 669 Cb -0.44 -2.85 -0.04 0.00 -1.68 0.00 0.00 37.83 32.83 1qwn s LYS 669 CO 0.55 0.52 -0.14 -0.06 -0.76 0.00 0.00 175.35 175.46 1qwn s PHE 670 N -1.70 1.46 -0.02 3.18 0.40 -1.26 -0.50 117.98 119.55 1qwn s PHE 670 Ca 0.33 -0.56 -0.30 0.00 -0.60 0.00 0.00 56.93 55.80 1qwn s PHE 670 Cb -0.11 -0.75 0.10 0.00 0.51 0.00 0.00 43.02 42.77 1qwn s PHE 670 CO 0.26 0.18 1.01 0.20 0.70 0.00 0.00 175.22 177.57 1qwn s GLY 671 N -2.61 -0.38 0.60 4.36 0.00 -0.83 -4.91 107.32 103.54 1qwn s GLY 671 Ca 0.11 0.94 -0.16 0.00 0.00 0.00 0.00 44.72 45.62 1qwn s GLY 671 CO 0.04 0.29 1.08 0.99 0.00 0.00 0.00 173.10 175.50 1qwn s ASP 672 N -2.55 5.62 0.35 1.64 1.01 -1.26 -1.00 116.67 120.48 1qwn s ASP 672 Ca 0.08 1.90 -0.26 0.00 0.71 0.00 0.00 52.55 54.99 1qwn s ASP 672 Cb -0.01 -2.54 -0.13 0.00 1.01 0.00 0.00 42.92 41.25 1qwn s ASP 672 CO -0.05 -1.28 0.91 -2.65 0.21 0.00 0.00 175.17 172.31 1qwn n PRO 673 N -2.02 1.17 -3.48 8.23 -0.02 -1.26 -4.68 135.00 132.94 1qwn n PRO 673 Ca 0.09 0.42 -0.10 0.00 -2.02 0.00 0.00 63.50 61.89 1qwn n PRO 673 Cb 0.52 -1.83 -0.02 0.00 -0.02 0.00 0.00 33.50 32.15 1qwn n PRO 673 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1qwn s ARG 674 N -1.70 0.97 0.54 -0.52 1.70 -1.26 -5.00 118.95 113.67 1qwn s ARG 674 Ca 0.61 -0.32 -0.20 0.00 -0.47 0.00 0.00 55.73 55.35 1qwn s ARG 674 Cb -0.64 0.45 -0.06 0.00 -0.57 0.00 0.00 34.95 34.13 1qwn s ARG 674 CO 0.58 -0.42 1.16 -1.21 -1.08 0.00 0.00 175.30 174.34 1qwn s GLU 675 N -3.19 3.35 0.08 3.89 2.02 -1.26 -4.14 118.70 119.45 1qwn s GLU 675 Ca 0.03 1.70 -0.06 0.00 0.02 0.00 0.00 54.97 56.67 1qwn s GLU 675 Cb -0.01 -2.07 -0.02 0.00 0.10 0.00 0.00 34.13 32.13 1qwn s GLU 675 CO -0.09 -0.87 0.11 0.96 0.02 0.00 0.00 175.26 175.38 1qwn s ILE 676 N -1.68 0.16 0.03 -1.63 -4.36 -1.01 -4.98 121.20 107.74 1qwn s ILE 676 Ca 0.72 -1.46 0.04 0.00 -0.26 0.00 0.00 60.65 59.69 1qwn s ILE 676 Cb -0.27 -1.47 -0.02 0.00 1.25 0.00 0.00 42.46 41.96 1qwn s ILE 676 CO 0.30 -0.75 -0.11 -0.55 0.24 0.00 0.00 174.94 174.07 1qwn s SER 677 N -2.90 1.34 0.03 4.36 0.15 -1.26 -0.25 113.70 115.17 1qwn s SER 677 Ca 0.07 -0.40 -0.02 0.00 0.70 0.00 0.00 55.95 56.30 1qwn s SER 677 Cb 0.06 -0.08 -0.02 0.00 -1.71 0.00 0.00 66.02 64.27 1qwn s SER 677 CO -0.09 0.00 0.02 -0.76 1.20 0.00 0.00 173.24 173.61 1qwn s LEU 678 N -1.00 2.08 -0.15 3.45 1.43 -0.28 -4.98 118.68 119.23 1qwn s LEU 678 Ca -0.00 -0.54 -0.07 0.00 -1.03 0.00 0.00 54.13 52.49 1qwn s LEU 678 Cb -0.07 0.31 0.06 0.00 0.03 0.00 0.00 46.19 46.52 1qwn s LEU 678 CO 0.01 -0.40 0.34 -0.60 0.23 0.00 0.00 176.35 175.92 1qwn s ARG 679 N -2.08 0.28 -0.12 1.70 3.52 -1.26 -0.73 118.95 120.26 1qwn s ARG 679 Ca -0.10 0.76 -0.02 0.00 -0.13 0.00 0.00 55.73 56.24 1qwn s ARG 679 Cb -0.05 0.02 -0.03 0.00 -1.56 0.00 0.00 34.95 33.33 1qwn s ARG 679 CO -0.03 -0.20 -0.05 0.08 -0.81 0.00 0.00 175.30 174.29 1qwn s VAL 680 N 1.82 3.82 0.00 7.11 1.01 -1.26 -5.01 120.40 127.89 1qwn s VAL 680 Ca -0.06 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1qwn s VAL 680 Cb -0.10 -2.63 0.00 0.00 0.00 0.00 0.00 36.38 33.64 1qwn s VAL 680 CO -0.11 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.13 1qwn n GLY 681 N 3.07 3.09 1.21 4.51 0.00 -1.26 -1.74 105.19 114.07 1qwn n GLY 681 Ca -0.18 -0.25 0.08 0.00 0.00 0.00 0.00 46.02 45.67 1qwn n GLY 681 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1qwn n ASN 682 N 2.16 4.47 -2.77 1.61 3.02 -1.26 -4.98 115.26 117.51 1qwn n ASN 682 Ca 0.00 -2.98 0.00 0.00 -0.03 0.00 0.00 54.58 51.57 1qwn n ASN 682 Cb 0.00 -0.59 0.00 0.00 -0.61 0.00 0.00 39.78 38.58 1qwn n ASN 682 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qwn n GLY 683 N -0.13 -1.15 3.80 7.41 0.00 -0.71 -4.98 105.19 109.43 1qwn n GLY 683 Ca 0.23 -1.60 -0.31 0.00 0.00 0.00 0.00 46.02 44.35 1qwn n GLY 683 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qwn s PRO 684 N -0.99 2.58 -0.21 1.61 0.04 -1.26 -4.81 135.00 131.97 1qwn s PRO 684 Ca 0.00 1.02 -0.07 0.00 0.04 0.00 0.00 61.00 61.99 1qwn s PRO 684 Cb 0.00 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.56 1qwn s PRO 684 CO 0.00 -1.37 0.05 0.99 0.04 0.00 0.00 177.00 176.71 1qwn s THR 685 N -2.99 4.47 -0.09 1.26 2.01 -0.37 -4.29 115.64 115.64 1qwn s THR 685 Ca 0.60 -0.13 0.01 0.00 0.31 0.00 0.00 61.69 62.47 1qwn s THR 685 Cb -0.15 -3.04 -0.02 0.00 0.01 0.00 0.00 72.50 69.29 1qwn s THR 685 CO 0.55 0.41 -0.10 -0.76 -0.69 0.00 0.00 174.62 174.03 1qwn s LEU 686 N 0.92 2.94 -0.01 4.42 1.43 0.09 -0.74 118.68 127.73 1qwn s LEU 686 Ca 0.03 -0.17 0.03 0.00 -1.03 0.00 0.00 54.13 53.00 1qwn s LEU 686 Cb -0.14 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.40 1qwn s LEU 686 CO 0.03 0.27 -0.10 0.00 0.23 0.00 0.00 176.35 176.78 1qwn s ALA 687 N -0.27 2.89 0.09 4.21 0.00 -0.68 -1.13 121.76 126.88 1qwn s ALA 687 Ca 0.03 -1.01 0.08 0.00 0.00 0.00 0.00 51.96 51.06 1qwn s ALA 687 Cb -0.13 -1.06 -0.03 0.00 0.00 0.00 0.00 23.12 21.89 1qwn s ALA 687 CO 0.03 0.59 -0.21 -0.06 0.00 0.00 0.00 175.76 176.11 1qwn s PHE 688 N -0.91 1.79 0.95 0.00 0.40 0.66 -0.56 117.98 120.32 1qwn s PHE 688 Ca 0.15 -0.41 -0.13 0.00 -0.60 0.00 0.00 56.93 55.94 1qwn s PHE 688 Cb -0.11 -1.00 0.16 0.00 0.51 0.00 0.00 43.02 42.58 1qwn s PHE 688 CO 0.05 0.18 1.13 -1.54 0.70 0.00 0.00 175.22 175.74 1qwn s SER 689 N -1.76 3.16 0.20 1.36 1.04 0.12 -2.39 113.70 115.44 1qwn s SER 689 Ca 0.07 0.97 0.18 0.00 0.48 0.00 0.00 55.95 57.64 1qwn s SER 689 Cb -0.10 -1.53 0.85 0.00 0.10 0.00 0.00 66.02 65.34 1qwn s SER 689 CO 0.04 -2.77 1.56 -1.84 0.98 0.00 0.00 173.24 171.21 1qwn n GLU 690 N -3.91 0.12 -0.21 4.02 0.28 -1.26 -1.26 120.64 118.42 1qwn n GLU 690 Ca 0.07 0.47 0.08 0.00 -0.16 0.00 0.00 57.16 57.62 1qwn n GLU 690 Cb 0.59 -1.79 0.23 0.00 1.43 0.00 0.00 31.44 31.90 1qwn n GLU 690 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 1qwn n GLN 691 N -2.02 2.06 -0.96 3.44 6.02 -1.26 -4.41 117.38 120.24 1qwn n GLN 691 Ca 0.01 -1.63 0.00 0.00 -0.01 0.00 0.00 57.00 55.37 1qwn n GLN 691 Cb 0.13 -1.38 0.00 0.00 1.02 0.00 0.00 30.24 30.01 1qwn n GLN 691 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qwn n GLY 692 N 1.25 0.43 3.61 1.08 0.00 -0.39 -4.89 105.19 106.28 1qwn n GLY 692 Ca 0.16 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 1qwn n GLY 692 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qwn s LEU 693 N 0.00 3.36 0.28 0.99 1.43 -1.26 -4.75 118.68 118.73 1qwn s LEU 693 Ca 0.00 0.03 -0.29 0.00 -1.03 0.00 0.00 54.13 52.84 1qwn s LEU 693 Cb 0.00 -1.76 -0.14 0.00 0.03 0.00 0.00 46.19 44.32 1qwn s LEU 693 CO 0.00 0.33 1.19 -0.11 0.23 0.00 0.00 176.35 177.99 1qwn n LEU 694 N 2.42 2.56 0.00 1.79 7.94 -1.26 -0.70 117.00 129.75 1qwn n LEU 694 Ca -0.18 1.18 0.00 0.00 -1.11 0.00 0.00 56.01 55.90 1qwn n LEU 694 Cb 0.53 -1.37 0.00 0.00 0.53 0.00 0.00 43.42 43.11 1qwn n LEU 694 CO 0.29 -0.93 -0.40 1.17 -1.11 0.00 0.00 177.39 176.40 1qwn n LYS 695 N 1.02 2.90 -3.47 1.96 4.81 0.28 -2.22 118.16 123.43 1qwn n LYS 695 Ca 0.09 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.40 1qwn n LYS 695 Cb 0.32 -0.90 -0.03 0.00 0.02 0.00 0.00 35.03 34.44 1qwn n LYS 695 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 1qwn s SER 696 N -2.44 -0.54 -0.07 3.14 1.04 -1.11 -1.65 113.70 112.05 1qwn s SER 696 Ca 0.00 0.13 0.02 0.00 0.48 0.00 0.00 55.95 56.57 1qwn s SER 696 Cb 0.00 0.57 0.02 0.00 0.10 0.00 0.00 66.02 66.70 1qwn s SER 696 CO 0.00 -0.87 -0.11 -0.63 0.98 0.00 0.00 173.24 172.62 1qwn s ILE 697 N -3.14 1.07 -0.27 -1.02 1.01 -0.64 -1.68 121.20 116.53 1qwn s ILE 697 Ca -0.02 -0.42 -0.01 0.00 0.00 0.00 0.00 60.65 60.20 1qwn s ILE 697 Cb -0.01 -0.99 0.04 0.00 0.01 0.00 0.00 42.46 41.51 1qwn s ILE 697 CO -0.07 0.34 -0.05 -1.58 0.00 0.00 0.00 174.94 173.58 1qwn s GLN 698 N 0.82 2.64 0.20 2.79 0.74 0.08 -1.33 119.66 125.59 1qwn s GLN 698 Ca -0.12 -1.11 -0.08 0.00 0.05 0.00 0.00 55.36 54.10 1qwn s GLN 698 Cb -0.15 -3.03 0.11 0.00 1.10 0.00 0.00 33.01 31.04 1qwn s GLN 698 CO 0.02 -0.49 1.68 -0.07 -0.55 0.00 0.00 175.29 175.88 1qwn h LEU 699 N 7.98 1.04 -8.63 3.68 3.38 -1.86 -0.97 115.31 119.93 1qwn h LEU 699 Ca -0.28 -0.27 -0.25 0.00 0.09 0.00 0.00 57.88 57.17 1qwn h LEU 699 Cb 1.09 -0.28 -0.15 0.00 0.09 0.00 0.00 40.66 41.41 1qwn h LEU 699 CO 0.55 1.06 -0.62 0.42 0.09 0.00 0.00 178.44 179.94 1qwn s THR 700 N -5.10 0.11 0.26 0.22 -4.23 -1.26 -4.22 115.64 101.42 1qwn s THR 700 Ca -0.12 -1.99 -0.03 0.00 -1.18 0.00 0.00 61.69 58.37 1qwn s THR 700 Cb 0.14 -2.48 0.26 0.00 1.34 0.00 0.00 72.50 71.76 1qwn s THR 700 CO 0.85 -0.04 1.67 1.56 -0.54 0.00 0.00 174.62 178.12 1qwn h GLN 701 N 2.60 0.22 0.05 3.99 1.08 -1.92 -2.78 115.11 118.36 1qwn h GLN 701 Ca -0.36 -0.01 -0.24 0.00 -1.45 0.00 0.00 58.65 56.58 1qwn h GLN 701 Cb 1.25 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 28.61 1qwn h GLN 701 CO 0.55 0.15 -1.14 0.38 -0.95 0.00 0.00 178.83 177.82 1qwn h ASP 702 N 0.23 0.18 -3.96 1.46 2.03 -1.99 -3.48 116.42 110.89 1qwn h ASP 702 Ca 0.45 -0.20 -0.49 0.00 -0.73 0.00 0.00 57.03 56.07 1qwn h ASP 702 Cb 0.82 -0.06 0.18 0.00 -0.83 0.00 0.00 39.33 39.45 1qwn h ASP 702 CO -0.57 1.16 0.18 -0.94 -1.03 0.00 0.00 179.24 178.04 1qwn s SER 703 N -6.87 2.67 0.67 4.15 1.04 -1.05 -5.02 113.70 109.29 1qwn s SER 703 Ca -0.02 1.82 -0.13 0.00 0.48 0.00 0.00 55.95 58.11 1qwn s SER 703 Cb 0.09 -2.41 0.00 0.00 0.10 0.00 0.00 66.02 63.80 1qwn s SER 703 CO 0.85 -3.20 1.07 -2.16 0.98 0.00 0.00 173.24 170.78 1qwn s PRO 704 N -4.69 2.92 -0.78 4.02 0.04 -1.26 -4.81 135.00 130.45 1qwn s PRO 704 Ca 0.66 1.13 -0.23 0.00 0.04 0.00 0.00 61.00 62.60 1qwn s PRO 704 Cb -0.22 -1.98 0.07 0.00 0.04 0.00 0.00 34.50 32.41 1qwn s PRO 704 CO 0.59 -1.12 1.13 -1.01 0.04 0.00 0.00 177.00 176.64 1qwn s HIS 705 N -2.74 2.64 -0.07 0.56 3.76 -1.26 -4.33 115.29 113.85 1qwn s HIS 705 Ca 0.61 -0.62 -0.30 0.00 -0.15 0.00 0.00 55.06 54.60 1qwn s HIS 705 Cb -0.16 -4.43 -0.04 0.00 1.11 0.00 0.00 32.58 29.07 1qwn s HIS 705 CO 0.48 -1.76 1.30 0.08 -0.85 0.00 0.00 174.74 173.99 1qwn s VAL 706 N 4.33 4.06 0.06 -0.90 1.01 -0.44 -4.78 120.40 123.73 1qwn s VAL 706 Ca 0.30 1.37 -0.30 0.00 0.00 0.00 0.00 61.98 63.35 1qwn s VAL 706 Cb -0.10 -3.88 -0.09 0.00 0.00 0.00 0.00 36.38 32.31 1qwn s VAL 706 CO 0.05 -0.04 1.79 -2.84 0.00 0.00 0.00 175.10 174.06 1qwn s PRO 707 N 2.71 4.16 -0.25 2.72 0.02 -1.26 -1.63 135.00 141.47 1qwn s PRO 707 Ca 0.59 2.46 -0.02 0.00 0.02 0.00 0.00 61.00 64.05 1qwn s PRO 707 Cb -0.26 -3.81 0.12 0.00 0.02 0.00 0.00 34.50 30.56 1qwn s PRO 707 CO 0.22 -0.84 0.27 0.08 -0.33 0.00 0.00 177.00 176.40 1qwn s VAL 708 N 3.39 -0.39 -0.14 3.83 1.01 -0.66 -4.17 120.40 123.27 1qwn s VAL 708 Ca 0.80 -0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.49 1qwn s VAL 708 Cb -0.41 -0.86 0.01 0.00 0.00 0.00 0.00 36.38 35.12 1qwn s VAL 708 CO 0.36 -0.34 -0.22 -2.28 0.00 0.00 0.00 175.10 172.62 1qwn s HIS 709 N 2.36 2.67 0.14 5.22 5.04 -0.32 -2.89 115.29 127.51 1qwn s HIS 709 Ca 0.09 -1.30 -0.25 0.00 -1.54 0.00 0.00 55.06 52.05 1qwn s HIS 709 Cb -0.15 -1.81 -0.07 0.00 0.04 0.00 0.00 32.58 30.59 1qwn s HIS 709 CO -0.24 -0.59 0.78 -0.06 -2.34 0.00 0.00 174.74 172.30 1qwn s PHE 710 N 0.77 3.88 -0.05 3.88 2.99 -0.94 -0.40 117.98 128.11 1qwn s PHE 710 Ca -0.08 1.61 -0.07 0.00 0.00 0.00 0.00 56.93 58.39 1qwn s PHE 710 Cb -0.16 -2.78 0.01 0.00 0.00 0.00 0.00 43.02 40.09 1qwn s PHE 710 CO -0.01 0.47 0.18 0.21 -0.00 0.00 0.00 175.22 176.07 1qwn s LYS 711 N -0.92 0.31 -0.13 0.44 2.20 -0.07 -4.74 119.74 116.83 1qwn s LYS 711 Ca 0.36 0.06 -0.02 0.00 -0.36 0.00 0.00 55.97 56.01 1qwn s LYS 711 Cb -0.23 0.14 -0.03 0.00 -1.51 0.00 0.00 37.83 36.21 1qwn s LYS 711 CO 0.26 -0.06 -0.04 -0.06 -0.36 0.00 0.00 175.35 175.09 1qwn s PHE 712 N -0.37 3.03 0.29 4.03 0.40 -1.26 -0.47 117.98 123.62 1qwn s PHE 712 Ca -0.05 -0.16 0.02 0.00 -0.60 0.00 0.00 56.93 56.15 1qwn s PHE 712 Cb -0.03 -1.88 -0.05 0.00 0.51 0.00 0.00 43.02 41.57 1qwn s PHE 712 CO 0.01 0.12 0.12 -0.51 0.70 0.00 0.00 175.22 175.65 1qwn s LEU 713 N -0.07 1.70 -0.02 -0.37 1.02 -0.47 -1.40 118.68 119.08 1qwn s LEU 713 Ca 0.02 -1.46 0.03 0.00 0.02 0.00 0.00 54.13 52.73 1qwn s LEU 713 Cb -0.13 0.05 -0.00 0.00 0.02 0.00 0.00 46.19 46.13 1qwn s LEU 713 CO 0.03 -0.79 -0.09 -1.59 0.02 0.00 0.00 176.35 173.92 1qwn s LYS 714 N -3.93 0.90 0.08 1.70 -2.85 0.65 -1.20 119.74 115.10 1qwn s LYS 714 Ca 0.36 -0.31 0.01 0.00 -1.00 0.00 0.00 55.97 55.03 1qwn s LYS 714 Cb 0.07 -0.85 -0.04 0.00 -2.06 0.00 0.00 37.83 34.95 1qwn s LYS 714 CO 0.15 0.14 0.18 0.71 0.10 0.00 0.00 175.35 176.64 1qwn s TYR 715 N 0.07 3.41 0.00 1.78 1.51 0.07 -1.14 117.35 123.04 1qwn s TYR 715 Ca -0.01 0.17 0.00 0.00 -1.01 0.00 0.00 57.07 56.22 1qwn s TYR 715 Cb -0.07 -1.70 0.00 0.00 -0.11 0.00 0.00 41.96 40.08 1qwn s TYR 715 CO 0.00 0.56 0.00 0.41 -1.11 0.00 0.00 175.55 175.41 1qwn n GLY 716 N 0.17 4.95 3.30 0.71 0.00 -1.26 -1.36 105.19 111.69 1qwn n GLY 716 Ca -0.06 -2.09 -0.24 0.00 0.00 0.00 0.00 46.02 43.63 1qwn n GLY 716 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qwn s VAL 717 N 0.76 1.78 0.31 1.61 1.01 -1.25 -3.22 120.40 121.39 1qwn s VAL 717 Ca 0.00 -1.59 -0.29 0.00 0.00 0.00 0.00 61.98 60.10 1qwn s VAL 717 Cb 0.00 -1.62 -0.10 0.00 0.00 0.00 0.00 36.38 34.66 1qwn s VAL 717 CO 0.00 -0.06 1.22 -0.13 0.00 0.00 0.00 175.10 176.14 1qwn s ARG 718 N -1.98 4.47 0.04 2.72 0.52 -1.26 -4.67 118.95 118.80 1qwn s ARG 718 Ca 0.08 2.05 0.25 0.00 -0.52 0.00 0.00 55.73 57.59 1qwn s ARG 718 Cb -0.10 -3.12 0.48 0.00 0.52 0.00 0.00 34.95 32.74 1qwn s ARG 718 CO 0.05 -0.03 1.40 -1.13 0.02 0.00 0.00 175.30 175.61 1qwn n SER 719 N 0.95 0.54 -4.01 0.23 3.41 -1.26 -4.81 113.62 108.67 1qwn n SER 719 Ca -0.00 -0.09 -0.12 0.00 -0.26 0.00 0.00 58.87 58.40 1qwn n SER 719 Cb 0.43 0.20 -0.12 0.00 -0.26 0.00 0.00 64.21 64.46 1qwn n SER 719 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 1qwn s HIS 720 N -3.06 0.47 0.00 7.33 -3.43 -1.26 -5.10 115.29 110.24 1qwn s HIS 720 Ca 0.09 -0.42 0.00 0.00 -0.80 0.00 0.00 55.06 53.93 1qwn s HIS 720 Cb 0.16 -0.30 0.00 0.00 -1.43 0.00 0.00 32.58 31.02 1qwn s HIS 720 CO 0.70 -0.10 0.00 0.41 -2.00 0.00 0.00 174.74 173.75 1qwn n GLY 721 N 1.81 -1.75 3.76 -1.38 0.00 -1.26 -4.93 105.19 101.44 1qwn n GLY 721 Ca -0.21 -1.65 -0.41 0.00 0.00 0.00 0.00 46.02 43.75 1qwn n GLY 721 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qwn s ASP 722 N -4.00 7.09 -0.08 1.61 -0.00 -1.26 -5.00 116.67 115.04 1qwn s ASP 722 Ca 0.00 2.39 -0.05 0.00 -0.00 0.00 0.00 52.55 54.89 1qwn s ASP 722 Cb 0.00 -2.63 -0.04 0.00 -0.00 0.00 0.00 42.92 40.25 1qwn s ASP 722 CO 0.00 -0.30 0.12 -0.13 -0.00 0.00 0.00 175.17 174.87 1qwn s ARG 723 N -1.34 3.33 0.60 8.23 0.52 -1.26 -4.60 118.95 124.43 1qwn s ARG 723 Ca 0.47 -0.25 -0.20 0.00 -0.52 0.00 0.00 55.73 55.23 1qwn s ARG 723 Cb -0.34 -3.07 -0.03 0.00 0.52 0.00 0.00 34.95 32.02 1qwn s ARG 723 CO 0.44 0.73 1.32 -1.12 0.02 0.00 0.00 175.30 176.68 1qwn s SER 724 N -1.29 4.94 0.00 0.23 0.01 -1.26 -4.58 113.70 111.74 1qwn s SER 724 Ca 0.18 2.67 0.00 0.00 1.31 0.00 0.00 55.95 60.11 1qwn s SER 724 Cb -0.12 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.48 1qwn s SER 724 CO 0.08 -1.78 0.00 0.61 0.41 0.00 0.00 173.24 172.56 1qwn n GLY 725 N 0.79 3.97 0.34 3.44 0.00 -0.84 -4.52 105.19 108.38 1qwn n GLY 725 Ca 0.13 -1.07 0.08 0.00 0.00 0.00 0.00 46.02 45.16 1qwn n GLY 725 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qwn h ALA 726 N 1.54 1.84 0.00 4.61 0.00 -1.85 -3.23 119.26 122.17 1qwn h ALA 726 Ca 0.00 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.66 1qwn h ALA 726 Cb 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1qwn h ALA 726 CO 0.00 0.06 -1.30 0.66 0.00 0.00 0.00 179.25 178.67 1qwn n TYR 727 N -4.48 0.95 -3.47 0.00 4.02 -1.26 -2.74 117.16 110.19 1qwn n TYR 727 Ca 0.08 0.41 -0.38 0.00 -0.01 0.00 0.00 57.90 58.01 1qwn n TYR 727 Cb 0.25 -1.08 -0.06 0.00 -0.02 0.00 0.00 39.34 38.43 1qwn n TYR 727 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1qwn s LEU 728 N -7.87 4.47 -0.32 7.72 1.43 -1.22 -0.88 118.68 122.02 1qwn s LEU 728 Ca -0.29 0.99 -0.05 0.00 -1.03 0.00 0.00 54.13 53.75 1qwn s LEU 728 Cb 0.06 -2.62 0.04 0.00 0.03 0.00 0.00 46.19 43.70 1qwn s LEU 728 CO 0.57 0.31 0.07 0.12 0.23 0.00 0.00 176.35 177.64 1qwn s PHE 729 N -1.02 3.23 -0.52 0.29 5.99 -1.16 -1.98 117.98 122.80 1qwn s PHE 729 Ca 0.24 -1.47 0.07 0.00 0.00 0.00 0.00 56.93 55.77 1qwn s PHE 729 Cb -0.17 -2.22 0.24 0.00 0.00 0.00 0.00 43.02 40.88 1qwn s PHE 729 CO 0.14 -0.72 0.62 1.28 -0.00 0.00 0.00 175.22 176.53 1qwn n LEU 730 N 4.77 1.94 -4.74 6.12 4.77 -1.26 -4.68 117.00 123.91 1qwn n LEU 730 Ca -0.13 -5.05 -0.35 0.00 -0.03 0.00 0.00 56.01 50.45 1qwn n LEU 730 Cb 0.45 -0.03 0.07 0.00 -2.33 0.00 0.00 43.42 41.58 1qwn n LEU 730 CO 0.30 2.05 0.81 -2.16 -1.33 0.00 0.00 177.39 177.06 1qwn s PRO 731 N -1.76 2.48 -1.14 3.23 0.04 -1.26 -3.98 135.00 132.60 1qwn s PRO 731 Ca 0.37 1.76 -0.04 0.00 0.04 0.00 0.00 61.00 63.13 1qwn s PRO 731 Cb 0.15 -1.87 0.18 0.00 0.04 0.00 0.00 34.50 32.99 1qwn s PRO 731 CO -0.07 -1.58 2.27 0.27 0.04 0.00 0.00 177.00 177.93 1qwn n ASN 732 N -2.31 7.69 0.00 6.66 6.94 -1.20 -4.78 115.26 128.27 1qwn n ASN 732 Ca 0.13 -3.32 0.00 0.00 -0.02 0.00 0.00 54.58 51.37 1qwn n ASN 732 Cb 0.50 -1.29 0.00 0.00 -2.36 0.00 0.00 39.78 36.64 1qwn n ASN 732 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1qwn n GLY 733 N 1.07 0.19 3.55 4.83 0.00 -1.26 -4.85 105.19 108.73 1qwn n GLY 733 Ca 0.57 -1.95 -0.36 0.00 0.00 0.00 0.00 46.02 44.28 1qwn n GLY 733 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1qwn n PRO 734 N 0.13 0.36 -1.87 1.61 -0.02 -1.26 -4.81 135.00 129.14 1qwn n PRO 734 Ca 0.00 0.17 -0.35 0.00 -2.02 0.00 0.00 63.50 61.31 1qwn n PRO 734 Cb 0.00 -2.07 0.04 0.00 -0.02 0.00 0.00 33.50 31.46 1qwn n PRO 734 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qwn s ALA 735 N -1.91 2.46 -0.04 3.55 0.00 -1.26 -4.94 121.76 119.62 1qwn s ALA 735 Ca 0.69 0.86 0.01 0.00 0.00 0.00 0.00 51.96 53.53 1qwn s ALA 735 Cb -0.34 -3.42 -0.03 0.00 0.00 0.00 0.00 23.12 19.34 1qwn s ALA 735 CO 0.54 -1.29 -0.03 -1.12 0.00 0.00 0.00 175.76 173.87 1qwn s SER 736 N -1.91 4.93 0.39 0.00 0.01 -0.30 -4.84 113.70 111.97 1qwn s SER 736 Ca 0.74 -0.00 -0.28 0.00 1.31 0.00 0.00 55.95 57.72 1qwn s SER 736 Cb -0.27 -1.27 -0.10 0.00 0.21 0.00 0.00 66.02 64.58 1qwn s SER 736 CO 0.36 0.32 1.46 -2.84 0.41 0.00 0.00 173.24 172.96 1qwn s PRO 737 N -1.19 4.04 0.16 12.44 0.02 -1.26 -0.25 135.00 148.95 1qwn s PRO 737 Ca 0.16 2.51 -0.30 0.00 0.02 0.00 0.00 61.00 63.39 1qwn s PRO 737 Cb -0.11 -2.91 -0.08 0.00 0.02 0.00 0.00 34.50 31.42 1qwn s PRO 737 CO 0.06 -0.57 1.29 0.08 -0.33 0.00 0.00 177.00 177.53 1qwn s VAL 738 N -1.14 3.42 -0.20 3.83 1.01 -0.49 -4.76 120.40 122.06 1qwn s VAL 738 Ca 0.54 1.11 -0.29 0.00 0.00 0.00 0.00 61.98 63.34 1qwn s VAL 738 Cb -0.45 -3.71 -0.01 0.00 0.00 0.00 0.00 36.38 32.21 1qwn s VAL 738 CO 0.61 0.14 1.28 -1.61 0.00 0.00 0.00 175.10 175.51 1qwn s GLU 739 N 0.33 4.14 0.24 2.72 2.02 -1.26 -4.91 118.70 121.98 1qwn s GLU 739 Ca 0.58 1.55 0.23 0.00 0.02 0.00 0.00 54.97 57.35 1qwn s GLU 739 Cb -0.35 -3.80 0.07 0.00 0.10 0.00 0.00 34.13 30.15 1qwn s GLU 739 CO 0.35 -0.83 1.15 -0.07 0.02 0.00 0.00 175.26 175.88 1qwn h LEU 740 N 10.07 0.00 0.00 1.80 3.38 -1.98 -3.45 115.31 125.14 1qwn h LEU 740 Ca -0.26 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1qwn h LEU 740 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 1qwn h LEU 740 CO 0.99 0.00 0.00 0.61 0.09 0.00 0.00 178.44 180.13 1qwn n GLY 741 N 1.17 1.32 2.95 0.83 0.00 -1.26 -3.82 105.19 106.39 1qwn n GLY 741 Ca 0.01 -0.67 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 1qwn n GLY 741 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1qwn s GLN 742 N 0.00 2.33 0.66 1.61 0.74 -1.26 -5.09 119.66 118.65 1qwn s GLN 742 Ca 0.00 -3.00 -0.15 0.00 0.05 0.00 0.00 55.36 52.26 1qwn s GLN 742 Cb 0.00 -3.44 0.00 0.00 1.10 0.00 0.00 33.01 30.67 1qwn s GLN 742 CO 0.00 -1.20 1.12 -1.25 -0.55 0.00 0.00 175.29 173.40 1qwn s PRO 743 N -0.89 2.76 -0.05 1.67 0.04 -1.25 -4.95 135.00 132.34 1qwn s PRO 743 Ca 0.21 1.43 -0.28 0.00 0.04 0.00 0.00 61.00 62.40 1qwn s PRO 743 Cb -0.15 -1.94 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 1qwn s PRO 743 CO -0.09 -1.29 0.91 0.08 0.04 0.00 0.00 177.00 176.66 1qwn s VAL 744 N -2.29 4.89 -0.12 -0.36 1.01 -1.26 -4.84 120.40 117.42 1qwn s VAL 744 Ca 0.68 1.89 0.02 0.00 0.00 0.00 0.00 61.98 64.56 1qwn s VAL 744 Cb -0.21 -4.24 -0.01 0.00 0.00 0.00 0.00 36.38 31.92 1qwn s VAL 744 CO 0.41 0.14 -0.18 -0.69 0.00 0.00 0.00 175.10 174.78 1qwn s VAL 745 N 1.25 2.56 -0.17 2.92 1.01 -0.76 -2.32 120.40 124.89 1qwn s VAL 745 Ca 0.47 -0.83 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 1qwn s VAL 745 Cb -0.19 -2.04 -0.01 0.00 0.00 0.00 0.00 36.38 34.13 1qwn s VAL 745 CO 0.23 0.54 -0.09 -0.22 0.00 0.00 0.00 175.10 175.55 1qwn s LEU 746 N 0.43 2.78 -0.20 3.92 2.96 0.56 -0.32 118.68 128.81 1qwn s LEU 746 Ca -0.13 -0.36 -0.02 0.00 -0.22 0.00 0.00 54.13 53.39 1qwn s LEU 746 Cb -0.17 -1.66 -0.00 0.00 0.50 0.00 0.00 46.19 44.86 1qwn s LEU 746 CO 0.06 0.08 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.39 1qwn s VAL 747 N 0.87 3.00 -0.17 1.68 1.01 0.23 -0.93 120.40 126.09 1qwn s VAL 747 Ca -0.03 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.31 1qwn s VAL 747 Cb -0.15 -2.33 -0.01 0.00 0.00 0.00 0.00 36.38 33.89 1qwn s VAL 747 CO 0.00 0.47 -0.09 -0.89 0.00 0.00 0.00 175.10 174.59 1qwn s THR 748 N 1.29 3.19 -0.17 3.92 2.01 -0.12 -0.55 115.64 125.21 1qwn s THR 748 Ca 0.03 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 61.46 1qwn s THR 748 Cb -0.14 -2.39 0.02 0.00 0.01 0.00 0.00 72.50 70.00 1qwn s THR 748 CO -0.05 0.48 -0.20 -0.75 -0.69 0.00 0.00 174.62 173.42 1qwn s LYS 749 N 0.83 2.96 0.18 4.92 2.20 -0.24 -0.59 119.74 129.99 1qwn s LYS 749 Ca -0.03 -0.82 0.00 0.00 -0.36 0.00 0.00 55.97 54.76 1qwn s LYS 749 Cb -0.15 -2.51 -0.04 0.00 -1.51 0.00 0.00 37.83 33.62 1qwn s LYS 749 CO 0.01 -0.16 0.07 0.20 -0.36 0.00 0.00 175.35 175.11 1qwn s GLY 750 N 1.18 1.30 0.18 5.54 0.00 -1.02 -0.71 107.32 113.79 1qwn s GLY 750 Ca 0.02 -1.63 -0.07 0.00 0.00 0.00 0.00 44.72 43.04 1qwn s GLY 750 CO -0.10 -1.46 1.55 1.70 0.00 0.00 0.00 173.10 174.79 1qwn h LYS 751 N 2.67 0.80 0.00 2.90 3.64 -1.96 -3.33 116.57 121.29 1qwn h LYS 751 Ca -0.36 -0.39 -0.34 0.00 -1.27 0.00 0.00 60.65 58.29 1qwn h LYS 751 Cb 1.22 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.98 1qwn h LYS 751 CO 0.59 1.02 -2.20 1.28 -2.27 0.00 0.00 179.45 177.87 1qwn n LEU 752 N -4.06 0.23 -3.71 5.20 4.77 -1.26 -4.52 117.00 113.64 1qwn n LEU 752 Ca -0.01 0.11 -0.11 0.00 -0.03 0.00 0.00 56.01 55.96 1qwn n LEU 752 Cb 0.51 0.40 -0.10 0.00 -2.33 0.00 0.00 43.42 41.89 1qwn n LEU 752 CO 0.47 0.46 0.07 -0.70 -1.33 0.00 0.00 177.39 176.35 1qwn s GLU 753 N -2.54 0.43 0.17 3.23 2.12 -1.25 -4.48 118.70 116.38 1qwn s GLU 753 Ca -0.09 0.72 0.06 0.00 0.36 0.00 0.00 54.97 56.03 1qwn s GLU 753 Cb 0.07 0.07 -0.04 0.00 0.26 0.00 0.00 34.13 34.48 1qwn s GLU 753 CO 0.83 -0.12 -0.13 -1.12 -0.54 0.00 0.00 175.26 174.18 1qwn s SER 754 N 0.99 2.18 0.06 -1.70 0.01 -0.51 -2.43 113.70 112.31 1qwn s SER 754 Ca -0.06 -0.99 -0.24 0.00 1.31 0.00 0.00 55.95 55.96 1qwn s SER 754 Cb -0.06 -0.08 0.06 0.00 0.21 0.00 0.00 66.02 66.15 1qwn s SER 754 CO -0.08 -0.24 0.58 -0.55 0.41 0.00 0.00 173.24 173.36 1qwn s SER 755 N -3.16 -0.53 -0.13 2.44 0.15 0.24 -0.48 113.70 112.23 1qwn s SER 755 Ca 0.19 0.23 0.02 0.00 0.70 0.00 0.00 55.95 57.08 1qwn s SER 755 Cb 0.00 0.54 0.01 0.00 -1.71 0.00 0.00 66.02 64.86 1qwn s SER 755 CO 0.04 -0.78 -0.17 -0.69 1.20 0.00 0.00 173.24 172.83 1qwn s VAL 756 N -2.63 1.70 0.00 4.45 1.01 -0.35 -0.94 120.40 123.64 1qwn s VAL 756 Ca -0.04 -0.75 0.06 0.00 0.00 0.00 0.00 61.98 61.24 1qwn s VAL 756 Cb -0.01 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 1qwn s VAL 756 CO -0.03 0.48 -0.18 -0.44 0.00 0.00 0.00 175.10 174.93 1qwn s SER 757 N 1.02 2.17 -0.00 3.32 0.01 -0.11 -0.71 113.70 119.40 1qwn s SER 757 Ca -0.05 -0.38 0.00 0.00 1.31 0.00 0.00 55.95 56.84 1qwn s SER 757 Cb -0.15 -0.22 0.01 0.00 0.21 0.00 0.00 66.02 65.87 1qwn s SER 757 CO -0.04 0.20 -0.00 0.54 0.41 0.00 0.00 173.24 174.35 1qwn s VAL 758 N -0.53 0.05 -0.75 3.43 0.11 -0.10 -0.32 120.40 122.29 1qwn s VAL 758 Ca 0.07 0.01 -0.19 0.00 -2.93 0.00 0.00 61.98 58.94 1qwn s VAL 758 Cb -0.07 -0.08 0.12 0.00 -1.53 0.00 0.00 36.38 34.82 1qwn s VAL 758 CO -0.00 0.04 0.91 -0.83 -3.33 0.00 0.00 175.10 171.88 1qwn s GLY 759 N 0.19 1.87 0.37 6.54 0.00 -0.98 -1.46 107.32 113.85 1qwn s GLY 759 Ca -0.02 -2.49 0.04 0.00 0.00 0.00 0.00 44.72 42.26 1qwn s GLY 759 CO -0.01 1.78 0.53 1.08 0.00 0.00 0.00 173.10 176.48 1qwn s LEU 760 N 2.61 3.89 0.10 0.66 1.43 -0.10 -4.42 118.68 122.85 1qwn s LEU 760 Ca 0.22 0.01 -0.31 0.00 -1.03 0.00 0.00 54.13 53.01 1qwn s LEU 760 Cb -0.14 -2.91 -0.09 0.00 0.03 0.00 0.00 46.19 43.07 1qwn s LEU 760 CO -0.00 -0.49 1.73 -2.84 0.23 0.00 0.00 176.35 174.98 1qwn s PRO 761 N -4.29 4.17 0.00 1.29 0.02 -1.26 -2.01 135.00 132.92 1qwn s PRO 761 Ca 0.45 2.46 0.00 0.00 0.02 0.00 0.00 61.00 63.93 1qwn s PRO 761 Cb -0.10 -3.57 0.00 0.00 0.02 0.00 0.00 34.50 30.85 1qwn s PRO 761 CO 0.33 -0.78 0.00 0.43 -0.33 0.00 0.00 177.00 176.65 1qwn n SER 762 N 5.55 0.00 -3.69 2.53 7.64 -1.26 -4.97 113.62 119.42 1qwn n SER 762 Ca 0.17 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.92 1qwn n SER 762 Cb 0.39 -0.98 -0.13 0.00 -1.01 0.00 0.00 64.21 62.48 1qwn n SER 762 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1qwn s VAL 763 N -2.48 -0.27 -0.38 0.44 1.01 -0.85 -0.63 120.40 117.24 1qwn s VAL 763 Ca 0.00 0.23 -0.19 0.00 0.00 0.00 0.00 61.98 62.02 1qwn s VAL 763 Cb 0.00 -0.43 0.01 0.00 0.00 0.00 0.00 36.38 35.96 1qwn s VAL 763 CO 0.00 0.09 0.54 -0.69 0.00 0.00 0.00 175.10 175.04 1qwn s VAL 764 N 1.98 4.98 -0.20 2.92 1.01 -0.35 -0.93 120.40 129.80 1qwn s VAL 764 Ca -0.03 0.23 -0.09 0.00 0.00 0.00 0.00 61.98 62.09 1qwn s VAL 764 Cb -0.11 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.19 1qwn s VAL 764 CO -0.09 -0.33 0.11 -2.28 0.00 0.00 0.00 175.10 172.51 1qwn s HIS 765 N 2.48 3.31 -0.04 5.22 5.04 -0.53 -0.75 115.29 130.00 1qwn s HIS 765 Ca 0.19 0.16 0.02 0.00 -1.54 0.00 0.00 55.06 53.89 1qwn s HIS 765 Cb -0.15 -2.16 0.01 0.00 0.04 0.00 0.00 32.58 30.33 1qwn s HIS 765 CO 0.15 0.15 -0.08 -1.14 -2.34 0.00 0.00 174.74 171.48 1qwn s GLN 766 N 0.59 1.12 -0.22 2.88 0.74 0.26 -0.92 119.66 124.10 1qwn s GLN 766 Ca 0.06 -0.25 -0.04 0.00 0.05 0.00 0.00 55.36 55.18 1qwn s GLN 766 Cb -0.12 -1.01 -0.00 0.00 1.10 0.00 0.00 33.01 32.97 1qwn s GLN 766 CO 0.01 0.01 -0.05 0.99 -0.55 0.00 0.00 175.29 175.70 1qwn s THR 767 N 0.62 3.31 -0.11 -0.34 2.01 0.11 -1.01 115.64 120.23 1qwn s THR 767 Ca -0.10 -0.55 0.01 0.00 0.31 0.00 0.00 61.69 61.35 1qwn s THR 767 Cb -0.13 -2.52 -0.02 0.00 0.01 0.00 0.00 72.50 69.84 1qwn s THR 767 CO 0.01 0.40 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.59 1qwn s ILE 768 N 1.46 3.13 -0.12 1.82 1.01 0.85 -1.22 121.20 128.14 1qwn s ILE 768 Ca 0.05 -0.65 0.03 0.00 0.00 0.00 0.00 60.65 60.08 1qwn s ILE 768 Cb -0.14 -2.29 0.01 0.00 0.01 0.00 0.00 42.46 40.04 1qwn s ILE 768 CO -0.04 0.54 -0.22 -0.04 0.00 0.00 0.00 174.94 175.19 1qwn s MET 769 N -0.01 2.92 -0.02 2.79 -1.94 0.36 -0.83 119.30 122.57 1qwn s MET 769 Ca -0.03 -0.82 0.03 0.00 -1.71 0.00 0.00 55.69 53.15 1qwn s MET 769 Cb -0.14 -2.30 0.05 0.00 2.01 0.00 0.00 34.83 34.44 1qwn s MET 769 CO 0.04 0.05 0.88 0.54 -0.01 0.00 0.00 175.02 176.53 1qwn n ARG 770 N 3.87 1.57 0.00 2.03 1.74 -1.26 -1.42 116.66 123.19 1qwn n ARG 770 Ca -0.20 -1.34 0.00 0.00 -0.77 0.00 0.00 57.85 55.55 1qwn n ARG 770 Cb 0.52 -0.89 0.00 0.00 -1.02 0.00 0.00 32.46 31.07 1qwn n ARG 770 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qwn n GLY 771 N -0.46 1.83 0.00 -0.13 0.00 -1.26 -4.90 105.19 100.27 1qwn n GLY 771 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1qwn n GLY 771 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qwn n GLY 772 N -0.25 5.29 3.75 -0.02 0.00 -1.26 -3.39 105.19 109.31 1qwn n GLY 772 Ca 0.00 -1.43 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 1qwn n GLY 772 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qwn n ALA 773 N -3.00 2.13 -1.25 4.61 0.00 -1.26 -4.57 120.51 117.17 1qwn n ALA 773 Ca 0.00 0.35 -0.32 0.00 0.00 0.00 0.00 53.44 53.47 1qwn n ALA 773 Cb 0.00 -2.39 0.09 0.00 0.00 0.00 0.00 19.45 17.16 1qwn n ALA 773 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1qwn s PRO 774 N -1.72 2.16 -0.14 0.00 0.04 -1.24 -4.78 135.00 129.31 1qwn s PRO 774 Ca 0.56 1.41 -0.06 0.00 0.04 0.00 0.00 61.00 62.96 1qwn s PRO 774 Cb -0.51 -1.87 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 1qwn s PRO 774 CO 0.60 -1.75 0.06 -2.00 0.04 0.00 0.00 177.00 173.96 1qwn s GLU 775 N -4.44 3.58 -0.11 4.56 2.12 -0.01 -1.71 118.70 122.70 1qwn s GLU 775 Ca 0.66 -0.32 -0.01 0.00 0.36 0.00 0.00 54.97 55.67 1qwn s GLU 775 Cb -0.21 -3.09 -0.03 0.00 0.26 0.00 0.00 34.13 31.06 1qwn s GLU 775 CO 0.50 0.50 -0.08 0.42 -0.54 0.00 0.00 175.26 176.06 1qwn s ILE 776 N -0.29 3.55 -0.07 -3.70 -1.09 -0.25 -0.10 121.20 119.24 1qwn s ILE 776 Ca 0.08 -0.51 0.02 0.00 -2.23 0.00 0.00 60.65 58.02 1qwn s ILE 776 Cb -0.12 -2.49 0.01 0.00 -1.58 0.00 0.00 42.46 38.29 1qwn s ILE 776 CO 0.02 0.55 -0.13 -0.13 -1.23 0.00 0.00 174.94 174.01 1qwn s ARG 777 N -0.18 1.84 -0.18 2.79 0.52 -0.18 -0.74 118.95 122.82 1qwn s ARG 777 Ca 0.02 -0.46 0.00 0.00 -0.52 0.00 0.00 55.73 54.77 1qwn s ARG 777 Cb -0.13 -1.52 0.01 0.00 0.52 0.00 0.00 34.95 33.83 1qwn s ARG 777 CO 0.03 0.03 -0.17 -0.80 0.02 0.00 0.00 175.30 174.41 1qwn s ASN 778 N 0.69 3.42 -0.52 0.23 0.01 0.02 -0.57 114.94 118.21 1qwn s ASN 778 Ca -0.14 -0.57 -0.20 0.00 -0.71 0.00 0.00 52.86 51.24 1qwn s ASN 778 Cb -0.16 -1.54 0.06 0.00 0.41 0.00 0.00 41.25 40.02 1qwn s ASN 778 CO 0.04 0.02 0.67 -0.22 -1.51 0.00 0.00 177.10 176.09 1qwn s LEU 779 N 1.22 4.88 -0.28 0.60 2.96 0.07 -0.89 118.68 127.24 1qwn s LEU 779 Ca 0.03 -0.87 -0.10 0.00 -0.22 0.00 0.00 54.13 52.96 1qwn s LEU 779 Cb -0.14 -2.48 -0.04 0.00 0.50 0.00 0.00 46.19 44.03 1qwn s LEU 779 CO -0.08 -0.94 0.17 -0.69 -1.32 0.00 0.00 176.35 173.48 1qwn s VAL 780 N 2.79 5.12 -0.40 1.68 1.01 0.31 -1.21 120.40 129.71 1qwn s VAL 780 Ca 0.17 0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.23 1qwn s VAL 780 Cb -0.19 -3.45 0.13 0.00 0.00 0.00 0.00 36.38 32.88 1qwn s VAL 780 CO 0.12 0.24 0.21 -0.62 0.00 0.00 0.00 175.10 175.06 1qwn s ASP 781 N 1.73 3.56 0.00 3.32 3.68 0.20 -2.08 116.67 127.07 1qwn s ASP 781 Ca 0.07 -2.37 0.10 0.00 2.13 0.00 0.00 52.55 52.48 1qwn s ASP 781 Cb -0.16 -0.87 0.46 0.00 -1.45 0.00 0.00 42.92 40.90 1qwn s ASP 781 CO 0.10 -0.30 1.32 0.00 0.13 0.00 0.00 175.17 176.42 1qwn n ILE 782 N 3.86 1.20 0.00 4.11 3.06 -1.26 -4.35 119.36 125.97 1qwn n ILE 782 Ca 0.08 0.30 0.00 0.00 -2.50 0.00 0.00 62.75 60.63 1qwn n ILE 782 Cb 0.36 -1.12 0.00 0.00 0.54 0.00 0.00 39.64 39.42 1qwn n ILE 782 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1qwn n GLY 783 N -0.42 3.48 1.37 4.50 0.00 -1.26 -1.99 105.19 110.86 1qwn n GLY 783 Ca 0.03 -0.06 0.01 0.00 0.00 0.00 0.00 46.02 46.00 1qwn n GLY 783 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1qwn n SER 784 N 4.55 4.02 -4.57 1.61 3.41 -1.26 -4.90 113.62 116.47 1qwn n SER 784 Ca 0.00 -3.24 -0.32 0.00 -0.26 0.00 0.00 58.87 55.05 1qwn n SER 784 Cb 0.00 -0.64 -0.04 0.00 -0.26 0.00 0.00 64.21 63.27 1qwn n SER 784 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1qwn s LEU 785 N -2.97 3.29 0.60 1.04 1.43 -0.84 -4.96 118.68 116.26 1qwn s LEU 785 Ca 0.48 -1.36 -0.19 0.00 -1.03 0.00 0.00 54.13 52.03 1qwn s LEU 785 Cb 0.39 -2.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 1qwn s LEU 785 CO 0.09 -2.40 1.22 -1.81 0.23 0.00 0.00 176.35 173.68 1qwn s ASP 786 N 6.49 5.13 -1.36 2.29 1.11 -1.26 -3.46 116.67 125.61 1qwn s ASP 786 Ca 0.63 2.42 -0.01 0.00 0.18 0.00 0.00 52.55 55.78 1qwn s ASP 786 Cb -0.02 -2.60 0.00 0.00 1.07 0.00 0.00 42.92 41.37 1qwn s ASP 786 CO 0.03 -1.64 0.60 0.59 1.18 0.00 0.00 175.17 175.93 1qwn n ASN 787 N -1.60 -0.95 -3.94 0.27 3.02 0.35 -4.98 115.26 107.42 1qwn n ASN 787 Ca 0.14 -0.89 -0.16 0.00 -0.03 0.00 0.00 54.58 53.64 1qwn n ASN 787 Cb 0.49 -3.66 -0.15 0.00 -0.61 0.00 0.00 39.78 35.86 1qwn n ASN 787 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1qwn s THR 788 N -3.77 0.39 -0.12 3.41 2.01 -0.55 -3.93 115.64 113.09 1qwn s THR 788 Ca 0.03 -0.19 0.02 0.00 0.31 0.00 0.00 61.69 61.86 1qwn s THR 788 Cb -0.01 -0.35 0.01 0.00 0.01 0.00 0.00 72.50 72.16 1qwn s THR 788 CO 0.84 0.12 -0.17 -1.61 -0.69 0.00 0.00 174.62 173.11 1qwn s GLU 789 N 0.02 2.49 -0.21 4.92 2.02 -0.46 -0.96 118.70 126.52 1qwn s GLU 789 Ca 0.00 -0.66 -0.13 0.00 0.02 0.00 0.00 54.97 54.20 1qwn s GLU 789 Cb -0.03 -2.08 -0.05 0.00 0.10 0.00 0.00 34.13 32.07 1qwn s GLU 789 CO -0.00 -0.06 0.27 0.42 0.02 0.00 0.00 175.26 175.92 1qwn s ILE 790 N 0.96 5.29 -0.01 -1.63 1.01 -0.39 -0.75 121.20 125.67 1qwn s ILE 790 Ca -0.06 0.45 0.06 0.00 0.00 0.00 0.00 60.65 61.11 1qwn s ILE 790 Cb -0.15 -3.61 -0.03 0.00 0.01 0.00 0.00 42.46 38.68 1qwn s ILE 790 CO -0.02 0.32 -0.20 0.54 0.00 0.00 0.00 174.94 175.58 1qwn s VAL 791 N 1.00 2.58 -0.24 2.92 0.11 -0.34 -0.38 120.40 126.05 1qwn s VAL 791 Ca 0.14 -1.01 -0.09 0.00 -2.93 0.00 0.00 61.98 58.09 1qwn s VAL 791 Cb -0.14 -1.99 -0.04 0.00 -1.53 0.00 0.00 36.38 32.68 1qwn s VAL 791 CO 0.05 0.51 0.12 -0.32 -3.33 0.00 0.00 175.10 172.13 1qwn s MET 792 N -0.88 3.86 0.06 1.54 1.75 -0.30 -1.37 119.30 123.96 1qwn s MET 792 Ca 0.12 -0.38 0.09 0.00 -1.25 0.00 0.00 55.69 54.27 1qwn s MET 792 Cb -0.10 -3.43 -0.03 0.00 2.84 0.00 0.00 34.83 34.11 1qwn s MET 792 CO 0.01 -0.06 -0.25 0.50 -0.65 0.00 0.00 175.02 174.58 1qwn s ARG 793 N 1.33 1.78 -0.16 4.11 3.52 0.38 -0.69 118.95 129.22 1qwn s ARG 793 Ca 0.06 -1.13 -0.03 0.00 -0.13 0.00 0.00 55.73 54.50 1qwn s ARG 793 Cb -0.15 -2.01 -0.02 0.00 -1.56 0.00 0.00 34.95 31.21 1qwn s ARG 793 CO 0.05 0.51 -0.07 -0.51 -0.81 0.00 0.00 175.30 174.47 1qwn s LEU 794 N -1.45 3.00 -0.18 -0.88 1.43 0.96 -0.89 118.68 120.67 1qwn s LEU 794 Ca 0.13 -0.25 -0.02 0.00 -1.03 0.00 0.00 54.13 52.96 1qwn s LEU 794 Cb -0.10 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.39 1qwn s LEU 794 CO 0.04 0.13 -0.08 -1.61 0.23 0.00 0.00 176.35 175.05 1qwn s GLU 795 N 0.61 3.39 0.36 1.70 2.02 0.47 -1.77 118.70 125.48 1qwn s GLU 795 Ca -0.04 -0.64 0.05 0.00 0.02 0.00 0.00 54.97 54.35 1qwn s GLU 795 Cb -0.15 -2.84 -0.03 0.00 0.10 0.00 0.00 34.13 31.21 1qwn s GLU 795 CO 0.03 0.00 0.19 0.95 0.02 0.00 0.00 175.26 176.45 1qwn s THR 796 N 0.93 0.31 -0.17 3.63 -4.23 -0.30 -1.18 115.64 114.62 1qwn s THR 796 Ca -0.01 -2.00 0.21 0.00 -1.18 0.00 0.00 61.69 58.71 1qwn s THR 796 Cb -0.15 -2.42 -0.10 0.00 1.34 0.00 0.00 72.50 71.17 1qwn s THR 796 CO 0.00 0.00 0.87 1.41 -0.54 0.00 0.00 174.62 176.36 1qwn n HIS 797 N -0.75 0.74 -1.15 3.99 8.25 -1.26 -4.56 115.22 120.49 1qwn n HIS 797 Ca 0.00 0.22 -0.45 0.00 -0.26 0.00 0.00 57.72 57.24 1qwn n HIS 797 Cb 0.64 -0.88 -0.06 0.00 1.12 0.00 0.00 29.99 30.81 1qwn n HIS 797 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1qwn n ILE 798 N -2.62 0.15 -2.00 1.59 5.41 -1.26 -4.78 119.36 115.84 1qwn n ILE 798 Ca -0.03 -0.04 -0.41 0.00 1.00 0.00 0.00 62.75 63.27 1qwn n ILE 798 Cb 0.61 0.00 -0.00 0.00 -0.71 0.00 0.00 39.64 39.54 1qwn n ILE 798 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 1qwn n ASP 799 N 1.19 5.97 0.20 4.38 4.64 -1.26 -2.52 116.55 129.15 1qwn n ASP 799 Ca 0.15 -2.99 0.12 0.00 -1.38 0.00 0.00 54.79 50.69 1qwn n ASP 799 Cb 0.07 -1.50 0.21 0.00 -1.04 0.00 0.00 41.12 38.86 1qwn n ASP 799 CO 0.00 0.00 0.00 0.77 -0.82 0.00 0.00 177.20 177.15 1qwn h SER 800 N 5.44 0.00 0.00 1.67 4.64 -1.87 -3.41 113.55 120.01 1qwn h SER 800 Ca 0.56 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.88 1qwn h SER 800 Cb 0.51 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 1qwn h SER 800 CO 1.67 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 178.24 1qwn n GLY 801 N 1.13 3.48 0.70 -0.77 0.00 -1.26 -2.09 105.19 106.39 1qwn n GLY 801 Ca 0.04 -0.11 0.07 0.00 0.00 0.00 0.00 46.02 46.02 1qwn n GLY 801 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1qwn n ASP 802 N 8.90 3.26 -4.71 1.61 3.85 -1.26 -3.18 116.55 125.02 1qwn n ASP 802 Ca 0.00 -2.43 -0.35 0.00 -0.71 0.00 0.00 54.79 51.30 1qwn n ASP 802 Cb 0.00 -0.35 -0.09 0.00 -1.35 0.00 0.00 41.12 39.33 1qwn n ASP 802 CO 0.00 0.00 0.00 -0.63 -1.01 0.00 0.00 177.20 175.56 1qwn s ILE 803 N -1.77 4.47 0.23 2.12 -1.09 -0.89 0.02 121.20 124.30 1qwn s ILE 803 Ca 0.30 -0.21 -0.14 0.00 -2.23 0.00 0.00 60.65 58.37 1qwn s ILE 803 Cb 0.21 -2.90 0.00 0.00 -1.58 0.00 0.00 42.46 38.19 1qwn s ILE 803 CO 0.12 0.59 0.48 0.72 -1.23 0.00 0.00 174.94 175.62 1qwn s PHE 804 N -0.92 0.25 -0.02 3.97 -0.12 -0.70 -4.73 117.98 115.71 1qwn s PHE 804 Ca 0.14 -0.62 0.04 0.00 -0.05 0.00 0.00 56.93 56.44 1qwn s PHE 804 Cb -0.11 0.23 -0.01 0.00 -0.63 0.00 0.00 43.02 42.50 1qwn s PHE 804 CO 0.03 -0.97 -0.13 0.71 -0.05 0.00 0.00 175.22 174.82 1qwn s TYR 805 N -3.98 1.21 0.10 3.49 1.51 -0.18 0.05 117.35 119.54 1qwn s TYR 805 Ca 0.19 -0.27 0.03 0.00 -1.01 0.00 0.00 57.07 56.01 1qwn s TYR 805 Cb -0.01 -0.80 -0.04 0.00 -0.11 0.00 0.00 41.96 41.00 1qwn s TYR 805 CO 0.06 -0.07 -0.09 0.95 -1.11 0.00 0.00 175.55 175.29 1qwn s THR 806 N -0.11 0.85 0.42 -0.71 -4.23 -0.98 -0.97 115.64 109.91 1qwn s THR 806 Ca 0.01 -1.71 -0.00 0.00 -1.18 0.00 0.00 61.69 58.81 1qwn s THR 806 Cb -0.07 -1.43 -0.02 0.00 1.34 0.00 0.00 72.50 72.33 1qwn s THR 806 CO 0.00 -0.65 0.65 1.51 -0.54 0.00 0.00 174.62 175.59 1qwn s ASP 807 N -2.60 6.02 -0.28 3.99 3.84 -0.93 -0.71 116.67 125.99 1qwn s ASP 807 Ca 0.07 0.42 -0.00 0.00 -0.00 0.00 0.00 52.55 53.03 1qwn s ASP 807 Cb -0.01 -1.78 0.05 0.00 -1.38 0.00 0.00 42.92 39.81 1qwn s ASP 807 CO -0.01 -0.56 -0.04 -0.76 -0.00 0.00 0.00 175.17 173.79 1qwn s LEU 808 N -4.51 3.67 -1.56 2.11 1.43 0.71 -4.37 118.68 116.15 1qwn s LEU 808 Ca 0.46 -1.26 0.00 0.00 -1.03 0.00 0.00 54.13 52.30 1qwn s LEU 808 Cb -0.10 -1.66 0.00 0.00 0.03 0.00 0.00 46.19 44.46 1qwn s LEU 808 CO 0.38 -0.22 0.00 0.59 0.23 0.00 0.00 176.35 177.33 1qwn n ASN 809 N 4.57 -4.91 -0.21 2.29 4.13 -1.26 -1.10 115.26 118.78 1qwn n ASN 809 Ca -0.14 0.17 -0.03 0.00 1.68 0.00 0.00 54.58 56.26 1qwn n ASN 809 Cb 0.43 -4.19 -0.01 0.00 -1.54 0.00 0.00 39.78 34.47 1qwn n ASN 809 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1qwn n GLY 810 N -0.76 0.50 0.07 7.41 0.00 -1.26 -0.37 105.19 110.77 1qwn n GLY 810 Ca -0.20 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.59 1qwn n GLY 810 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1qwn n LEU 811 N -0.31 1.89 -3.59 0.99 7.94 -0.25 -4.91 117.00 118.76 1qwn n LEU 811 Ca -0.03 -0.05 -0.13 0.00 -1.11 0.00 0.00 56.01 54.69 1qwn n LEU 811 Cb 0.27 -0.23 -0.05 0.00 0.53 0.00 0.00 43.42 43.94 1qwn n LEU 811 CO 0.04 0.59 0.24 0.00 -1.11 0.00 0.00 177.39 177.15 1qwn s GLN 812 N -2.30 1.04 -0.16 1.96 -2.07 -1.20 -5.00 119.66 111.93 1qwn s GLN 812 Ca -0.15 -0.37 -0.04 0.00 -1.82 0.00 0.00 55.36 52.98 1qwn s GLN 812 Cb 0.05 0.47 -0.03 0.00 -1.09 0.00 0.00 33.01 32.40 1qwn s GLN 812 CO 0.40 -0.38 -0.02 -0.06 -1.32 0.00 0.00 175.29 173.91 1qwn s PHE 813 N -2.81 3.07 -0.02 9.60 0.40 -1.26 -0.21 117.98 126.76 1qwn s PHE 813 Ca -0.03 -0.22 0.05 0.00 -0.60 0.00 0.00 56.93 56.13 1qwn s PHE 813 Cb -0.00 -1.98 -0.03 0.00 0.51 0.00 0.00 43.02 41.52 1qwn s PHE 813 CO -0.05 0.01 -0.17 -1.50 0.70 0.00 0.00 175.22 174.21 1qwn s ILE 814 N 0.36 2.80 0.12 0.64 2.07 0.11 -1.93 121.20 125.37 1qwn s ILE 814 Ca -0.03 -0.91 -0.30 0.00 -1.41 0.00 0.00 60.65 57.99 1qwn s ILE 814 Cb -0.14 -2.10 -0.07 0.00 0.13 0.00 0.00 42.46 40.29 1qwn s ILE 814 CO 0.02 0.52 1.23 -0.75 -1.91 0.00 0.00 174.94 174.06 1qwn s LYS 815 N -0.89 4.44 0.09 3.50 2.20 -0.28 -2.32 119.74 126.48 1qwn s LYS 815 Ca 0.12 1.87 0.07 0.00 -0.36 0.00 0.00 55.97 57.67 1qwn s LYS 815 Cb -0.10 -3.28 -0.04 0.00 -1.51 0.00 0.00 37.83 32.89 1qwn s LYS 815 CO 0.01 -0.22 -0.12 1.03 -0.36 0.00 0.00 175.35 175.70 1qwn s ARG 816 N 0.53 2.09 -0.11 4.03 1.81 0.11 -4.96 118.95 122.44 1qwn s ARG 816 Ca 0.57 -1.03 0.00 0.00 -1.72 0.00 0.00 55.73 53.56 1qwn s ARG 816 Cb -0.32 -2.28 0.02 0.00 -0.45 0.00 0.00 34.95 31.93 1qwn s ARG 816 CO 0.32 0.51 -0.10 0.50 -0.68 0.00 0.00 175.30 175.86 1qwn s ARG 817 N -2.08 1.72 0.22 3.54 3.52 -1.26 -1.72 118.95 122.88 1qwn s ARG 817 Ca 0.20 -0.35 -0.31 0.00 -0.13 0.00 0.00 55.73 55.15 1qwn s ARG 817 Cb -0.11 -1.65 -0.10 0.00 -1.56 0.00 0.00 34.95 31.53 1qwn s ARG 817 CO 0.12 -0.20 1.49 0.50 -0.81 0.00 0.00 175.30 176.40 1qwn s ARG 818 N 1.45 4.24 -0.24 5.12 3.52 0.10 -4.99 118.95 128.14 1qwn s ARG 818 Ca 0.01 2.33 0.02 0.00 -0.13 0.00 0.00 55.73 57.96 1qwn s ARG 818 Cb -0.13 -3.12 0.05 0.00 -1.56 0.00 0.00 34.95 30.19 1qwn s ARG 818 CO -0.06 -0.50 -0.11 -0.51 -0.81 0.00 0.00 175.30 173.31 1qwn s LEU 819 N 0.18 3.09 0.05 -0.88 1.43 -1.26 -4.92 118.68 116.37 1qwn s LEU 819 Ca 0.63 -1.25 0.21 0.00 -1.03 0.00 0.00 54.13 52.69 1qwn s LEU 819 Cb -0.43 -1.46 0.86 0.00 0.03 0.00 0.00 46.19 45.19 1qwn s LEU 819 CO 0.39 -0.18 1.65 0.47 0.23 0.00 0.00 176.35 178.92 1qwn n ASP 820 N 4.51 0.15 0.00 2.29 8.00 -1.26 -1.62 116.55 128.62 1qwn n ASP 820 Ca -0.14 0.53 0.12 0.00 0.71 0.00 0.00 54.79 56.00 1qwn n ASP 820 Cb 0.43 -0.57 0.55 0.00 -0.02 0.00 0.00 41.12 41.52 1qwn n ASP 820 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1qwn n LYS 821 N -1.66 0.11 -4.21 -1.24 2.85 -1.26 -4.73 118.16 108.01 1qwn n LYS 821 Ca 0.04 0.07 -0.27 0.00 -1.05 0.00 0.00 58.31 57.11 1qwn n LYS 821 Cb 0.24 -1.50 -0.08 0.00 -0.65 0.00 0.00 35.03 33.05 1qwn n LYS 821 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1qwn s LEU 822 N -2.87 3.29 0.82 -5.58 1.43 -0.64 -5.06 118.68 110.07 1qwn s LEU 822 Ca 0.15 -0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 52.73 1qwn s LEU 822 Cb 0.16 -1.94 0.09 0.00 0.03 0.00 0.00 46.19 44.53 1qwn s LEU 822 CO 0.43 0.09 1.09 -2.16 0.23 0.00 0.00 176.35 176.03 1qwn s PRO 823 N -2.94 1.84 0.24 1.29 0.04 -1.26 -4.89 135.00 129.32 1qwn s PRO 823 Ca 0.27 1.01 -0.09 0.00 0.04 0.00 0.00 61.00 62.23 1qwn s PRO 823 Cb -0.09 -1.86 0.37 0.00 0.04 0.00 0.00 34.50 32.96 1qwn s PRO 823 CO 0.18 -1.89 1.62 1.25 0.04 0.00 0.00 177.00 178.20 1qwn h LEU 824 N -1.30 -0.56 -2.13 -3.56 6.46 -1.96 -0.34 115.31 111.91 1qwn h LEU 824 Ca -0.46 0.22 -0.01 0.00 -0.12 0.00 0.00 57.88 57.51 1qwn h LEU 824 Cb 1.25 0.42 -0.00 0.00 -0.73 0.00 0.00 40.66 41.60 1qwn h LEU 824 CO 0.53 -0.23 -0.04 0.06 -0.62 0.00 0.00 178.44 178.14 1qwn h GLN 825 N 0.04 0.00 0.00 1.25 -0.00 -1.92 -0.92 115.11 113.56 1qwn h GLN 825 Ca 0.39 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 59.03 1qwn h GLN 825 Cb 0.64 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.12 1qwn h GLN 825 CO -0.74 0.04 -0.04 0.00 -0.00 0.00 0.00 178.83 178.09 1qwn h ALA 826 N 1.96 0.98 -0.02 0.06 0.00 -1.40 -3.08 119.26 117.78 1qwn h ALA 826 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1qwn h ALA 826 Cb 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1qwn h ALA 826 CO 0.00 0.05 0.00 0.09 0.00 0.00 0.00 179.25 179.40 1qwn n ASN 827 N -3.12 1.27 -4.77 0.00 3.02 -0.35 -4.59 115.26 106.72 1qwn n ASN 827 Ca 0.02 -1.43 -0.39 0.00 -0.03 0.00 0.00 54.58 52.75 1qwn n ASN 827 Cb 0.45 -0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.56 1qwn n ASN 827 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1qwn s TYR 828 N -2.00 3.82 0.15 3.10 1.51 -1.16 -4.60 117.35 118.16 1qwn s TYR 828 Ca 0.39 1.49 0.03 0.00 -1.01 0.00 0.00 57.07 57.97 1qwn s TYR 828 Cb 0.21 -2.72 -0.04 0.00 -0.11 0.00 0.00 41.96 39.29 1qwn s TYR 828 CO 0.34 0.44 -0.05 0.71 -1.11 0.00 0.00 175.55 175.89 1qwn s TYR 829 N -0.74 1.16 0.46 2.71 1.51 -0.11 -4.68 117.35 117.66 1qwn s TYR 829 Ca 0.35 -0.91 -0.23 0.00 -1.01 0.00 0.00 57.07 55.27 1qwn s TYR 829 Cb -0.21 -0.64 -0.07 0.00 -0.11 0.00 0.00 41.96 40.92 1qwn s TYR 829 CO 0.23 -0.09 1.21 -2.14 -1.11 0.00 0.00 175.55 173.65 1qwn s PRO 830 N -3.84 3.72 -0.63 -1.71 0.02 -1.26 -1.60 135.00 129.69 1qwn s PRO 830 Ca 0.19 1.89 0.05 0.00 0.02 0.00 0.00 61.00 63.15 1qwn s PRO 830 Cb 0.05 -2.46 0.20 0.00 0.02 0.00 0.00 34.50 32.32 1qwn s PRO 830 CO 0.01 -0.61 0.58 -0.89 -0.33 0.00 0.00 177.00 175.75 1qwn n ILE 831 N -0.43 1.48 0.18 2.83 2.08 0.41 -4.54 119.36 121.37 1qwn n ILE 831 Ca 0.07 -4.81 0.02 0.00 0.56 0.00 0.00 62.75 58.59 1qwn n ILE 831 Cb 0.47 -2.09 0.35 0.00 -0.75 0.00 0.00 39.64 37.62 1qwn n ILE 831 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 1qwn h PRO 832 N 4.86 0.00 0.00 0.38 0.13 -1.79 -2.68 132.00 132.91 1qwn h PRO 832 Ca 0.17 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1qwn h PRO 832 Cb 0.74 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 1qwn h PRO 832 CO 0.71 0.38 0.00 -1.13 -0.23 0.00 0.00 178.00 177.73 1qwn n SER 833 N -4.09 0.00 -3.60 1.44 3.41 -1.26 -3.78 113.62 105.74 1qwn n SER 833 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1qwn n SER 833 Cb 0.41 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.35 1qwn n SER 833 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1qwn s GLY 834 N 0.00 -0.34 0.04 5.00 0.00 -1.26 -0.69 107.32 110.07 1qwn s GLY 834 Ca 0.00 1.44 -0.18 0.00 0.00 0.00 0.00 44.72 45.98 1qwn s GLY 834 CO 0.00 0.42 0.41 -3.16 0.00 0.00 0.00 173.10 170.76 1qwn s MET 835 N -2.08 0.90 0.08 2.90 0.23 -0.42 -2.20 119.30 118.71 1qwn s MET 835 Ca 0.13 -0.34 -0.18 0.00 -1.03 0.00 0.00 55.69 54.27 1qwn s MET 835 Cb 0.03 0.40 0.04 0.00 -1.53 0.00 0.00 34.83 33.77 1qwn s MET 835 CO -0.04 -0.30 0.43 -0.59 -2.03 0.00 0.00 175.02 172.48 1qwn s PHE 836 N -2.36 -0.27 0.10 3.16 -0.12 -0.15 -0.96 117.98 117.39 1qwn s PHE 836 Ca -0.06 0.11 0.08 0.00 -0.05 0.00 0.00 56.93 57.01 1qwn s PHE 836 Cb -0.01 0.26 -0.03 0.00 -0.63 0.00 0.00 43.02 42.61 1qwn s PHE 836 CO -0.02 -0.65 -0.19 0.96 -0.05 0.00 0.00 175.22 175.28 1qwn s ILE 837 N -3.09 1.60 0.13 -4.49 -4.36 -0.78 -1.01 121.20 109.21 1qwn s ILE 837 Ca -0.02 -1.53 -0.18 0.00 -0.26 0.00 0.00 60.65 58.66 1qwn s ILE 837 Cb 0.00 -1.49 0.04 0.00 1.25 0.00 0.00 42.46 42.27 1qwn s ILE 837 CO -0.07 -0.12 0.45 -1.83 0.24 0.00 0.00 174.94 173.61 1qwn s GLU 838 N -1.97 1.12 0.00 0.37 -1.05 -1.26 -1.31 118.70 114.60 1qwn s GLU 838 Ca 0.06 -0.63 0.00 0.00 -0.15 0.00 0.00 54.97 54.25 1qwn s GLU 838 Cb -0.10 0.50 0.00 0.00 -0.44 0.00 0.00 34.13 34.09 1qwn s GLU 838 CO 0.04 -0.45 0.00 -0.40 0.95 0.00 0.00 175.26 175.40 1qwn n ASP 839 N -0.23 1.48 0.26 0.83 5.68 -0.39 -4.11 116.55 120.07 1qwn n ASP 839 Ca -0.16 -0.17 0.08 0.00 -0.50 0.00 0.00 54.79 54.04 1qwn n ASP 839 Cb 0.64 0.00 0.66 0.00 -1.14 0.00 0.00 41.12 41.27 1qwn n ASP 839 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1qwn h ALA 840 N 1.00 1.97 0.00 2.12 0.00 -1.98 -3.34 119.26 119.03 1qwn h ALA 840 Ca 0.00 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 1qwn h ALA 840 Cb 0.00 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1qwn h ALA 840 CO 0.00 0.00 -1.54 0.09 0.00 0.00 0.00 179.25 177.80 1qwn n ASN 841 N -4.50 2.95 -4.09 0.00 3.02 -1.26 -3.60 115.26 107.78 1qwn n ASN 841 Ca -0.03 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.33 1qwn n ASN 841 Cb 0.09 0.85 -0.14 0.00 -0.61 0.00 0.00 39.78 39.98 1qwn n ASN 841 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1qwn s THR 842 N -2.29 0.89 0.02 3.41 2.01 -1.25 -0.49 115.64 117.95 1qwn s THR 842 Ca -0.04 -0.77 0.03 0.00 0.31 0.00 0.00 61.69 61.22 1qwn s THR 842 Cb 0.03 -0.81 -0.02 0.00 0.01 0.00 0.00 72.50 71.72 1qwn s THR 842 CO 0.35 0.04 -0.11 -0.60 -0.69 0.00 0.00 174.62 173.61 1qwn s ARG 843 N -0.83 0.75 -0.14 4.92 3.52 -0.25 -1.26 118.95 125.66 1qwn s ARG 843 Ca 0.01 -0.59 0.01 0.00 -0.13 0.00 0.00 55.73 55.02 1qwn s ARG 843 Cb -0.06 -0.70 0.02 0.00 -1.56 0.00 0.00 34.95 32.65 1qwn s ARG 843 CO 0.00 0.17 -0.15 -1.17 -0.81 0.00 0.00 175.30 173.35 1qwn s LEU 844 N -0.90 1.74 -0.09 -0.88 2.96 -0.42 -1.19 118.68 119.90 1qwn s LEU 844 Ca -0.00 -0.49 0.03 0.00 -0.22 0.00 0.00 54.13 53.45 1qwn s LEU 844 Cb -0.07 -1.19 -0.01 0.00 0.50 0.00 0.00 46.19 45.42 1qwn s LEU 844 CO 0.01 -0.03 -0.20 -0.89 -1.32 0.00 0.00 176.35 173.91 1qwn s THR 845 N 1.34 2.44 -0.27 3.68 2.01 -0.07 -1.86 115.64 122.91 1qwn s THR 845 Ca 0.02 -0.90 -0.03 0.00 0.31 0.00 0.00 61.69 61.08 1qwn s THR 845 Cb -0.13 -1.95 0.02 0.00 0.01 0.00 0.00 72.50 70.45 1qwn s THR 845 CO -0.09 0.56 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.17 1qwn s LEU 846 N 0.10 3.50 0.03 4.42 2.96 -0.14 -0.62 118.68 128.93 1qwn s LEU 846 Ca -0.10 -0.87 -0.07 0.00 -0.22 0.00 0.00 54.13 52.88 1qwn s LEU 846 Cb -0.16 -1.74 -0.05 0.00 0.50 0.00 0.00 46.19 44.74 1qwn s LEU 846 CO 0.06 -0.17 0.29 -0.76 -1.32 0.00 0.00 176.35 174.45 1qwn s LEU 847 N 1.37 4.36 0.14 -0.68 2.01 -0.21 -1.30 118.68 124.38 1qwn s LEU 847 Ca 0.00 0.58 0.10 0.00 0.01 0.00 0.00 54.13 54.82 1qwn s LEU 847 Cb -0.17 -2.75 -0.04 0.00 0.01 0.00 0.00 46.19 43.23 1qwn s LEU 847 CO -0.02 0.23 -0.24 0.42 1.01 0.00 0.00 176.35 177.76 1qwn s THR 848 N -1.34 2.09 -1.58 5.49 -4.23 0.14 -1.59 115.64 114.62 1qwn s THR 848 Ca 0.29 -1.80 0.19 0.00 -1.18 0.00 0.00 61.69 59.19 1qwn s THR 848 Cb -0.13 -1.90 0.63 0.00 1.34 0.00 0.00 72.50 72.44 1qwn s THR 848 CO 0.17 -0.06 1.53 0.61 -0.54 0.00 0.00 174.62 176.34 1qwn n GLY 849 N 0.71 2.33 3.54 3.99 0.00 -0.29 -4.73 105.19 110.74 1qwn n GLY 849 Ca -0.16 -0.76 -0.16 0.00 0.00 0.00 0.00 46.02 44.94 1qwn n GLY 849 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1qwn s GLN 850 N -1.47 0.93 0.12 1.61 0.00 -1.26 -4.74 119.66 114.85 1qwn s GLN 850 Ca 0.46 0.23 -0.30 0.00 -0.00 0.00 0.00 55.36 55.75 1qwn s GLN 850 Cb 0.27 0.44 -0.06 0.00 0.00 0.00 0.00 33.01 33.66 1qwn s GLN 850 CO 0.27 -0.29 0.97 -1.25 0.00 0.00 0.00 175.29 174.99 1qwn s PRO 851 N -1.16 4.70 0.19 9.60 0.04 -1.25 -4.72 135.00 142.40 1qwn s PRO 851 Ca -0.08 1.47 -0.09 0.00 0.04 0.00 0.00 61.00 62.34 1qwn s PRO 851 Cb -0.00 -3.36 -0.01 0.00 0.04 0.00 0.00 34.50 31.16 1qwn s PRO 851 CO 0.08 0.22 0.31 -0.51 0.04 0.00 0.00 177.00 177.14 1qwn s LEU 852 N -0.09 0.84 0.26 -3.56 1.43 -1.01 -4.77 118.68 111.78 1qwn s LEU 852 Ca 0.47 -0.95 -0.10 0.00 -1.03 0.00 0.00 54.13 52.52 1qwn s LEU 852 Cb -0.24 1.22 -0.07 0.00 0.03 0.00 0.00 46.19 47.13 1qwn s LEU 852 CO 0.30 -0.94 0.59 -0.83 0.23 0.00 0.00 176.35 175.70 1qwn s GLY 853 N -3.00 2.26 0.27 -3.19 0.00 -1.04 -0.45 107.32 102.17 1qwn s GLY 853 Ca 0.21 -0.23 -0.19 0.00 0.00 0.00 0.00 44.72 44.51 1qwn s GLY 853 CO 0.03 -0.08 0.92 -0.32 0.00 0.00 0.00 173.10 173.66 1qwn s GLY 854 N -2.41 0.21 0.21 0.20 0.00 -0.63 -0.33 107.32 104.57 1qwn s GLY 854 Ca 0.49 -0.50 -0.16 0.00 0.00 0.00 0.00 44.72 44.55 1qwn s GLY 854 CO 0.21 1.07 0.80 -1.26 0.00 0.00 0.00 173.10 173.92 1qwn n SER 855 N -1.26 -1.62 -3.73 1.64 2.88 -0.56 -0.93 113.62 110.04 1qwn n SER 855 Ca -0.05 -1.96 -0.30 0.00 -1.33 0.00 0.00 58.87 55.23 1qwn n SER 855 Cb 0.60 2.65 -0.15 0.00 -0.75 0.00 0.00 64.21 66.57 1qwn n SER 855 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 1qwn s SER 856 N -2.94 3.96 0.00 -3.46 0.15 -1.26 -0.96 113.70 109.20 1qwn s SER 856 Ca 0.17 -1.83 0.28 0.00 0.70 0.00 0.00 55.95 55.27 1qwn s SER 856 Cb -0.03 -0.90 1.02 0.00 -1.71 0.00 0.00 66.02 64.40 1qwn s SER 856 CO 0.06 -0.39 1.73 0.18 1.20 0.00 0.00 173.24 176.03 1qwn n LEU 857 N 4.60 0.73 -3.53 3.45 4.77 -1.26 -4.82 117.00 120.94 1qwn n LEU 857 Ca 0.00 -0.12 -0.14 0.00 -0.03 0.00 0.00 56.01 55.72 1qwn n LEU 857 Cb 0.41 -0.15 -0.05 0.00 -2.33 0.00 0.00 43.42 41.30 1qwn n LEU 857 CO 0.14 0.14 0.33 0.00 -1.33 0.00 0.00 177.39 176.67 1qwn s ALA 858 N -2.47 -1.46 0.21 -1.18 0.00 -1.26 -5.09 121.76 110.50 1qwn s ALA 858 Ca 0.27 0.70 -0.32 0.00 0.00 0.00 0.00 51.96 52.62 1qwn s ALA 858 Cb 0.20 0.42 -0.15 0.00 0.00 0.00 0.00 23.12 23.59 1qwn s ALA 858 CO 0.49 -0.54 1.24 0.45 0.00 0.00 0.00 175.76 177.40 1qwn n SER 859 N 0.33 1.85 0.00 0.00 2.88 -1.19 -1.49 113.62 116.00 1qwn n SER 859 Ca -0.18 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.51 1qwn n SER 859 Cb 0.61 -1.30 0.00 0.00 -0.75 0.00 0.00 64.21 62.77 1qwn n SER 859 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1qwn n GLY 860 N 1.97 1.57 3.76 0.46 0.00 -1.05 -4.88 105.19 107.02 1qwn n GLY 860 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 1qwn n GLY 860 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qwn s GLU 861 N -0.14 2.74 0.03 1.61 2.02 -0.55 -1.15 118.70 123.26 1qwn s GLU 861 Ca 0.00 -0.97 0.03 0.00 0.02 0.00 0.00 54.97 54.05 1qwn s GLU 861 Cb 0.00 -2.54 -0.02 0.00 0.10 0.00 0.00 34.13 31.67 1qwn s GLU 861 CO 0.00 0.47 -0.09 -0.51 0.02 0.00 0.00 175.26 175.15 1qwn s LEU 862 N -3.13 2.17 -0.01 1.80 1.43 -0.73 -4.51 118.68 115.70 1qwn s LEU 862 Ca 0.30 -0.40 -0.13 0.00 -1.03 0.00 0.00 54.13 52.87 1qwn s LEU 862 Cb -0.10 -0.30 0.02 0.00 0.03 0.00 0.00 46.19 45.85 1qwn s LEU 862 CO 0.22 -0.07 0.26 -1.83 0.23 0.00 0.00 176.35 175.16 1qwn s GLU 863 N -1.07 0.60 -0.07 1.70 -1.05 -0.13 -0.03 118.70 118.65 1qwn s GLU 863 Ca -0.04 -0.23 -0.03 0.00 -0.15 0.00 0.00 54.97 54.52 1qwn s GLU 863 Cb -0.07 0.26 0.04 0.00 -0.44 0.00 0.00 34.13 33.92 1qwn s GLU 863 CO 0.00 -0.16 0.16 -1.50 0.95 0.00 0.00 175.26 174.72 1qwn s ILE 864 N -1.29 -0.04 0.30 1.83 2.07 0.13 -1.50 121.20 122.70 1qwn s ILE 864 Ca -0.13 0.16 -0.29 0.00 -1.41 0.00 0.00 60.65 58.98 1qwn s ILE 864 Cb -0.06 -0.26 -0.10 0.00 0.13 0.00 0.00 42.46 42.17 1qwn s ILE 864 CO 0.03 0.07 1.15 -0.32 -1.91 0.00 0.00 174.94 173.96 1qwn s MET 865 N 1.11 4.54 -0.27 3.50 -2.45 0.55 -1.15 119.30 125.13 1qwn s MET 865 Ca -0.09 1.90 -0.08 0.00 -1.25 0.00 0.00 55.69 56.18 1qwn s MET 865 Cb -0.11 -3.12 -0.14 0.00 1.25 0.00 0.00 34.83 32.71 1qwn s MET 865 CO -0.06 0.09 -0.28 1.04 1.05 0.00 0.00 175.02 176.85 1qwn n GLN 866 N 1.02 0.62 -3.66 4.11 1.13 0.49 -4.46 117.38 116.63 1qwn n GLN 866 Ca -0.01 0.22 -0.07 0.00 -1.94 0.00 0.00 57.00 55.20 1qwn n GLN 866 Cb 0.44 -1.51 -0.02 0.00 0.11 0.00 0.00 30.24 29.26 1qwn n GLN 866 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1qwn s ASP 867 N -7.09 -0.32 -0.11 1.08 -1.08 -1.22 -4.84 116.67 103.09 1qwn s ASP 867 Ca -0.37 -0.29 -0.09 0.00 -0.52 0.00 0.00 52.55 51.28 1qwn s ASP 867 Cb 0.12 0.56 0.03 0.00 -1.46 0.00 0.00 42.92 42.17 1qwn s ASP 867 CO 0.54 -0.98 0.29 0.00 0.52 0.00 0.00 175.17 175.53 1qwn s ARG 868 N -3.53 0.32 -0.16 4.34 1.70 -1.26 -1.27 118.95 119.09 1qwn s ARG 868 Ca 0.08 0.44 -0.01 0.00 -0.47 0.00 0.00 55.73 55.76 1qwn s ARG 868 Cb -0.02 0.11 0.04 0.00 -0.57 0.00 0.00 34.95 34.51 1qwn s ARG 868 CO -0.02 -0.06 -0.03 0.50 -1.08 0.00 0.00 175.30 174.61 1qwn s ARG 869 N 0.37 1.18 -0.10 3.89 3.52 -0.13 -4.85 118.95 122.83 1qwn s ARG 869 Ca -0.02 -0.40 0.02 0.00 -0.13 0.00 0.00 55.73 55.20 1qwn s ARG 869 Cb -0.03 -1.86 0.01 0.00 -1.56 0.00 0.00 34.95 31.51 1qwn s ARG 869 CO -0.02 -0.45 -0.14 -0.51 -0.81 0.00 0.00 175.30 173.37 1qwn s LEU 870 N 1.72 1.68 0.41 -0.88 1.43 -0.25 -0.50 118.68 122.30 1qwn s LEU 870 Ca 0.01 -0.40 0.22 0.00 -1.03 0.00 0.00 54.13 52.93 1qwn s LEU 870 Cb -0.15 -1.04 0.30 0.00 0.03 0.00 0.00 46.19 45.33 1qwn s LEU 870 CO -0.07 0.01 1.56 0.00 0.23 0.00 0.00 176.35 178.08 1qwn h ALA 871 N 7.38 0.94 -2.76 4.21 0.00 -1.88 0.22 119.26 127.37 1qwn h ALA 871 Ca -0.31 -0.04 -0.58 0.00 0.00 0.00 0.00 54.91 53.99 1qwn h ALA 871 Cb 1.18 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.89 1qwn h ALA 871 CO 0.48 0.05 -0.56 -1.12 0.00 0.00 0.00 179.25 178.10 1qwn s SER 872 N -6.18 5.62 0.37 0.00 0.01 -1.26 -4.20 113.70 108.06 1qwn s SER 872 Ca 0.06 -0.07 -0.23 0.00 1.31 0.00 0.00 55.95 57.02 1qwn s SER 872 Cb 0.05 -1.51 -0.10 0.00 0.21 0.00 0.00 66.02 64.68 1qwn s SER 872 CO 0.68 0.08 0.93 -0.62 0.41 0.00 0.00 173.24 174.72 1qwn s ASP 873 N -3.01 7.13 -0.33 2.44 -1.08 -1.26 -3.90 116.67 116.66 1qwn s ASP 873 Ca 0.31 1.73 0.08 0.00 -0.52 0.00 0.00 52.55 54.15 1qwn s ASP 873 Cb -0.10 -2.55 0.56 0.00 -1.46 0.00 0.00 42.92 39.37 1qwn s ASP 873 CO 0.24 -0.20 1.59 -0.90 0.52 0.00 0.00 175.17 176.42 1qwn n ASP 874 N -0.00 2.98 -1.84 -0.34 5.68 -1.26 -4.84 116.55 116.92 1qwn n ASP 874 Ca 0.04 -3.67 -0.18 0.00 -0.50 0.00 0.00 54.79 50.48 1qwn n ASP 874 Cb 0.52 -0.69 -0.03 0.00 -1.14 0.00 0.00 41.12 39.78 1qwn n ASP 874 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 1qwn n GLU 875 N -1.05 -1.37 -0.11 0.11 1.02 -1.26 -4.86 120.64 113.11 1qwn n GLU 875 Ca 0.40 0.94 0.05 0.00 -0.02 0.00 0.00 57.16 58.53 1qwn n GLU 875 Cb 1.21 -5.36 0.11 0.00 -0.02 0.00 0.00 31.44 27.37 1qwn n GLU 875 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 1qwn n ARG 876 N -2.65 2.11 0.00 3.49 5.12 -1.26 -4.99 116.66 118.49 1qwn n ARG 876 Ca -0.20 -1.72 0.00 0.00 -1.93 0.00 0.00 57.85 53.99 1qwn n ARG 876 Cb 0.64 -1.23 0.00 0.00 -1.16 0.00 0.00 32.46 30.71 1qwn n ARG 876 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1qwn n GLY 877 N 0.47 0.65 0.23 -0.13 0.00 -1.26 -4.99 105.19 100.17 1qwn n GLY 877 Ca 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.03 1qwn n GLY 877 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1qwn h LEU 878 N 0.00 0.65 0.58 0.99 5.85 -1.94 -3.48 115.31 117.96 1qwn h LEU 878 Ca 0.00 -0.30 -0.12 0.00 0.84 0.00 0.00 57.88 58.30 1qwn h LEU 878 Cb 0.00 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 1qwn h LEU 878 CO 0.00 0.99 -0.13 0.61 -0.34 0.00 0.00 178.44 179.56 1qwn n GLY 879 N 0.03 0.48 3.57 3.75 0.00 -1.26 -4.84 105.19 106.93 1qwn n GLY 879 Ca -0.02 -0.71 -0.08 0.00 0.00 0.00 0.00 46.02 45.22 1qwn n GLY 879 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1qwn s GLN 880 N -3.42 1.04 0.00 1.61 -2.07 -1.26 -4.99 119.66 110.58 1qwn s GLN 880 Ca 0.00 -0.46 0.00 0.00 -1.82 0.00 0.00 55.36 53.08 1qwn s GLN 880 Cb 0.00 0.43 0.00 0.00 -1.09 0.00 0.00 33.01 32.35 1qwn s GLN 880 CO 0.00 -0.46 0.00 0.41 -1.32 0.00 0.00 175.29 173.92 1qwn n GLY 881 N -0.34 0.29 2.94 2.60 0.00 -1.25 -4.17 105.19 105.25 1qwn n GLY 881 Ca -0.09 -1.74 -0.31 0.00 0.00 0.00 0.00 46.02 43.89 1qwn n GLY 881 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qwn s VAL 882 N 0.69 2.02 -0.05 1.61 1.01 0.76 -4.88 120.40 121.56 1qwn s VAL 882 Ca 0.00 -2.35 0.07 0.00 0.00 0.00 0.00 61.98 59.70 1qwn s VAL 882 Cb 0.00 -2.48 0.11 0.00 0.00 0.00 0.00 36.38 34.01 1qwn s VAL 882 CO 0.00 -0.67 0.99 0.18 0.00 0.00 0.00 175.10 175.60 1qwn n LEU 883 N 4.13 1.13 -1.49 3.92 4.77 -1.26 -1.09 117.00 127.10 1qwn n LEU 883 Ca 0.03 -1.76 -0.07 0.00 -0.03 0.00 0.00 56.01 54.19 1qwn n LEU 883 Cb 0.40 -0.16 0.22 0.00 -2.33 0.00 0.00 43.42 41.56 1qwn n LEU 883 CO 0.22 0.42 0.89 -0.90 -1.33 0.00 0.00 177.39 176.68 1qwn n ASP 884 N -0.59 3.39 -4.63 -1.43 3.85 -1.26 -5.04 116.55 110.84 1qwn n ASP 884 Ca 0.06 -3.52 -0.37 0.00 -0.71 0.00 0.00 54.79 50.24 1qwn n ASP 884 Cb 0.59 -0.68 0.06 0.00 -1.35 0.00 0.00 41.12 39.73 1qwn n ASP 884 CO 0.00 0.00 0.00 0.59 -1.01 0.00 0.00 177.20 176.78 1qwn n ASN 885 N -0.87 0.88 -3.85 -1.12 4.13 -1.26 -5.04 115.26 108.13 1qwn n ASN 885 Ca 0.38 0.78 -0.10 0.00 1.68 0.00 0.00 54.58 57.33 1qwn n ASN 885 Cb 1.21 -1.41 -0.08 0.00 -1.54 0.00 0.00 39.78 37.96 1qwn n ASN 885 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 1qwn s LYS 886 N -2.95 0.76 0.25 3.52 -2.85 -1.26 -4.97 119.74 112.25 1qwn s LYS 886 Ca 0.77 -0.78 -0.31 0.00 -1.00 0.00 0.00 55.97 54.65 1qwn s LYS 886 Cb -0.40 0.31 -0.13 0.00 -2.06 0.00 0.00 37.83 35.55 1qwn s LYS 886 CO 0.46 -0.23 1.38 -2.30 0.10 0.00 0.00 175.35 174.76 1qwn n PRO 887 N 0.34 2.03 -4.09 1.78 -0.02 -1.26 -4.82 135.00 128.96 1qwn n PRO 887 Ca -0.17 0.72 -0.15 0.00 -2.02 0.00 0.00 63.50 61.88 1qwn n PRO 887 Cb 0.61 -2.36 -0.14 0.00 -0.02 0.00 0.00 33.50 31.58 1qwn n PRO 887 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1qwn s VAL 888 N -0.22 0.32 -0.51 -1.45 0.11 -0.88 -4.92 120.40 112.84 1qwn s VAL 888 Ca 0.66 -0.20 -0.15 0.00 -2.93 0.00 0.00 61.98 59.36 1qwn s VAL 888 Cb -0.64 -0.28 0.11 0.00 -1.53 0.00 0.00 36.38 34.04 1qwn s VAL 888 CO 0.52 0.07 0.45 -0.22 -3.33 0.00 0.00 175.10 172.59 1qwn s LEU 889 N -0.15 5.97 0.22 2.54 2.96 -1.26 -0.53 118.68 128.44 1qwn s LEU 889 Ca 0.01 -1.67 -0.27 0.00 -0.22 0.00 0.00 54.13 51.99 1qwn s LEU 889 Cb -0.02 -2.18 -0.09 0.00 0.50 0.00 0.00 46.19 44.40 1qwn s LEU 889 CO -0.00 -0.78 0.86 -1.00 -1.32 0.00 0.00 176.35 174.11 1qwn s HIS 890 N 1.59 3.90 0.11 5.38 3.76 -0.07 -4.91 115.29 125.06 1qwn s HIS 890 Ca 0.03 1.76 0.08 0.00 -0.15 0.00 0.00 55.06 56.78 1qwn s HIS 890 Cb -0.28 -2.86 -0.04 0.00 1.11 0.00 0.00 32.58 30.51 1qwn s HIS 890 CO 0.04 0.45 -0.21 0.96 -0.85 0.00 0.00 174.74 175.13 1qwn s ILE 891 N -1.23 1.71 0.17 0.60 -4.36 -1.26 -0.80 121.20 116.03 1qwn s ILE 891 Ca 0.40 -1.57 -0.16 0.00 -0.26 0.00 0.00 60.65 59.05 1qwn s ILE 891 Cb -0.23 -1.58 0.03 0.00 1.25 0.00 0.00 42.46 41.92 1qwn s ILE 891 CO 0.28 -0.09 0.46 -0.31 0.24 0.00 0.00 174.94 175.52 1qwn s TYR 892 N -1.25 -0.08 0.01 1.37 1.51 0.08 -1.14 117.35 117.86 1qwn s TYR 892 Ca 0.07 -0.26 0.05 0.00 -1.01 0.00 0.00 57.07 55.93 1qwn s TYR 892 Cb -0.10 0.29 -0.02 0.00 -0.11 0.00 0.00 41.96 42.03 1qwn s TYR 892 CO 0.04 -0.82 -0.17 1.03 -1.11 0.00 0.00 175.55 174.52 1qwn s ARG 893 N -3.86 1.24 -0.26 -0.62 1.81 -0.62 -1.10 118.95 115.55 1qwn s ARG 893 Ca 0.08 -0.70 0.02 0.00 -1.72 0.00 0.00 55.73 53.42 1qwn s ARG 893 Cb 0.00 -1.25 0.06 0.00 -0.45 0.00 0.00 34.95 33.31 1qwn s ARG 893 CO -0.05 0.33 -0.10 -1.17 -0.68 0.00 0.00 175.30 173.63 1qwn s LEU 894 N -0.72 3.43 -0.29 2.53 2.96 -0.70 -1.04 118.68 124.85 1qwn s LEU 894 Ca 0.05 -1.33 -0.01 0.00 -0.22 0.00 0.00 54.13 52.63 1qwn s LEU 894 Cb -0.07 -1.57 0.05 0.00 0.50 0.00 0.00 46.19 45.10 1qwn s LEU 894 CO 0.00 -0.19 -0.02 -0.69 -1.32 0.00 0.00 176.35 174.14 1qwn s VAL 895 N 1.14 2.91 -0.19 1.68 1.01 0.21 -3.69 120.40 123.47 1qwn s VAL 895 Ca -0.07 -1.37 -0.11 0.00 0.00 0.00 0.00 61.98 60.43 1qwn s VAL 895 Cb -0.19 -2.66 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 1qwn s VAL 895 CO -0.05 -0.07 0.17 -0.22 0.00 0.00 0.00 175.10 174.93 1qwn s LEU 896 N 1.25 4.22 0.04 3.92 2.96 -1.26 -0.89 118.68 128.92 1qwn s LEU 896 Ca -0.05 0.30 -0.07 0.00 -0.22 0.00 0.00 54.13 54.09 1qwn s LEU 896 Cb -0.19 -2.16 -0.01 0.00 0.50 0.00 0.00 46.19 44.33 1qwn s LEU 896 CO -0.02 0.17 0.13 -1.61 -1.32 0.00 0.00 176.35 173.70 1qwn s GLU 897 N 0.35 0.61 -0.05 1.98 2.02 -0.33 -5.02 118.70 118.28 1qwn s GLU 897 Ca 0.10 -0.68 -0.23 0.00 0.02 0.00 0.00 54.97 54.18 1qwn s GLU 897 Cb -0.11 0.25 -0.04 0.00 0.10 0.00 0.00 34.13 34.32 1qwn s GLU 897 CO -0.00 -0.16 0.67 0.15 0.02 0.00 0.00 175.26 175.93 1qwn s LYS 898 N -2.49 4.42 0.00 1.61 -0.14 -1.26 -1.10 119.74 120.77 1qwn s LYS 898 Ca -0.06 0.84 0.00 0.00 -1.36 0.00 0.00 55.97 55.39 1qwn s LYS 898 Cb -0.02 -3.42 0.00 0.00 -1.68 0.00 0.00 37.83 32.71 1qwn s LYS 898 CO -0.04 0.15 0.88 1.33 -0.76 0.00 0.00 175.35 176.91 1qwn n VAL 899 N 3.49 0.77 0.29 3.17 0.24 0.36 -4.76 118.33 121.89 1qwn n VAL 899 Ca -0.03 -0.79 0.15 0.00 -2.04 0.00 0.00 64.34 61.63 1qwn n VAL 899 Cb 0.51 0.62 0.92 0.00 -1.47 0.00 0.00 33.84 34.42 1qwn n VAL 899 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1qwn h ASN 900 N 0.00 0.00 0.09 -1.34 -1.07 -1.60 -1.77 115.58 109.89 1qwn h ASN 900 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1qwn h ASN 900 Cb 0.58 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.83 1qwn h ASN 900 CO 0.00 0.00 -0.30 0.59 0.07 0.00 0.00 177.43 177.79 1qwn n ASN 901 N -3.83 1.63 -4.76 6.14 3.02 -1.26 -4.96 115.26 111.23 1qwn n ASN 901 Ca -0.03 -1.29 -0.39 0.00 -0.03 0.00 0.00 54.58 52.85 1qwn n ASN 901 Cb 0.11 0.24 -0.06 0.00 -0.61 0.00 0.00 39.78 39.46 1qwn n ASN 901 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qwn s VAL 903 N -1.33 4.15 0.31 0.00 1.01 0.09 -4.99 120.40 119.63 1qwn s VAL 903 Ca 0.44 0.57 0.08 0.00 0.00 0.00 0.00 61.98 63.07 1qwn s VAL 903 Cb -0.23 -4.67 -0.04 0.00 0.00 0.00 0.00 36.38 31.44 1qwn s VAL 903 CO 0.29 -1.30 0.19 -0.13 0.00 0.00 0.00 175.10 174.15 1qwn s ARG 904 N 4.60 2.63 0.86 2.72 0.52 -1.26 -4.43 118.95 124.58 1qwn s ARG 904 Ca 0.36 -1.32 -0.11 0.00 -0.52 0.00 0.00 55.73 54.15 1qwn s ARG 904 Cb -0.10 -2.38 0.11 0.00 0.52 0.00 0.00 34.95 33.11 1qwn s ARG 904 CO 0.21 0.21 1.14 -2.14 0.02 0.00 0.00 175.30 174.74 1qwn s PRO 905 N -3.88 1.43 1.05 3.54 0.02 -1.26 -4.92 135.00 130.98 1qwn s PRO 905 Ca 0.37 1.49 -0.13 0.00 0.02 0.00 0.00 61.00 62.75 1qwn s PRO 905 Cb -0.06 -1.78 0.21 0.00 0.02 0.00 0.00 34.50 32.90 1qwn s PRO 905 CO 0.24 -2.32 1.08 -1.54 -0.33 0.00 0.00 177.00 174.14 1qwn s SER 906 N -2.75 2.19 0.64 2.53 1.04 -1.26 -4.90 113.70 111.19 1qwn s SER 906 Ca 0.66 1.19 0.42 0.00 0.48 0.00 0.00 55.95 58.70 1qwn s SER 906 Cb -0.22 -1.87 2.19 0.00 0.10 0.00 0.00 66.02 66.22 1qwn s SER 906 CO 0.56 -3.40 2.29 0.11 0.98 0.00 0.00 173.24 173.78 1qwn h LYS 907 N -2.08 0.00 -0.01 4.02 1.57 -2.00 -2.09 116.57 115.98 1qwn h LYS 907 Ca -0.56 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.22 1qwn h LYS 907 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.65 1qwn h LYS 907 CO 0.56 0.00 -0.45 1.28 -0.57 0.00 0.00 179.45 180.28 1qwn n LEU 908 N -3.12 1.36 -4.73 2.94 4.77 -1.26 -4.92 117.00 112.03 1qwn n LEU 908 Ca -0.02 -0.45 -0.41 0.00 -0.03 0.00 0.00 56.01 55.09 1qwn n LEU 908 Cb 0.12 -0.07 -0.04 0.00 -2.33 0.00 0.00 43.42 41.10 1qwn n LEU 908 CO 0.22 0.26 0.84 -2.28 -1.33 0.00 0.00 177.39 175.10 1qwn s HIS 909 N -2.59 3.51 -1.58 -1.77 2.46 -0.79 -4.94 115.29 109.58 1qwn s HIS 909 Ca 0.19 1.50 0.31 0.00 0.47 0.00 0.00 55.06 57.52 1qwn s HIS 909 Cb 0.18 -3.35 1.58 0.00 -0.13 0.00 0.00 32.58 30.87 1qwn s HIS 909 CO 0.60 -0.90 2.08 -0.35 -2.47 0.00 0.00 174.74 173.69 1qwn n PRO 910 N 2.68 0.59 -3.99 2.88 -0.05 -1.26 -4.89 135.00 130.96 1qwn n PRO 910 Ca 0.04 -0.03 -0.22 0.00 -0.05 0.00 0.00 63.50 63.25 1qwn n PRO 910 Cb 0.46 -1.50 -0.05 0.00 -0.05 0.00 0.00 33.50 32.36 1qwn n PRO 910 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 1qwn s ALA 911 N -2.43 3.64 0.23 0.55 0.00 -1.26 -1.13 121.76 121.35 1qwn s ALA 911 Ca 0.33 -1.69 0.02 0.00 0.00 0.00 0.00 51.96 50.63 1qwn s ALA 911 Cb 0.21 -1.00 -0.05 0.00 0.00 0.00 0.00 23.12 22.28 1qwn s ALA 911 CO 0.44 0.07 0.03 0.20 0.00 0.00 0.00 175.76 176.50 1qwn s GLY 912 N -3.90 1.55 0.01 0.00 0.00 -0.81 -4.75 107.32 99.43 1qwn s GLY 912 Ca 0.38 -1.77 -0.00 0.00 0.00 0.00 0.00 44.72 43.33 1qwn s GLY 912 CO 0.24 -1.62 -0.01 -0.19 0.00 0.00 0.00 173.10 171.52 1qwn s TYR 913 N -3.57 0.18 0.66 1.90 1.51 -1.26 -4.04 117.35 112.73 1qwn s TYR 913 Ca 0.30 -0.36 -0.11 0.00 -1.01 0.00 0.00 57.07 55.90 1qwn s TYR 913 Cb 0.07 -0.13 -0.01 0.00 -0.11 0.00 0.00 41.96 41.77 1qwn s TYR 913 CO 0.09 -0.14 1.05 -0.51 -1.11 0.00 0.00 175.55 174.93 1qwn s LEU 914 N -1.05 3.15 0.62 -1.29 1.43 -1.26 -4.71 118.68 115.56 1qwn s LEU 914 Ca -0.11 1.47 -0.06 0.00 -1.03 0.00 0.00 54.13 54.40 1qwn s LEU 914 Cb -0.07 -4.43 0.02 0.00 0.03 0.00 0.00 46.19 41.75 1qwn s LEU 914 CO -0.01 -1.15 0.92 0.42 0.23 0.00 0.00 176.35 176.76 1qwn s THR 915 N -3.14 3.25 0.21 5.49 -4.23 -1.26 -1.08 115.64 114.88 1qwn s THR 915 Ca 0.57 -0.11 -0.09 0.00 -1.18 0.00 0.00 61.69 60.88 1qwn s THR 915 Cb -0.12 -3.31 0.15 0.00 1.34 0.00 0.00 72.50 70.56 1qwn s THR 915 CO 0.54 -0.32 1.76 0.28 -0.54 0.00 0.00 174.62 176.34 1qwn h SER 916 N -0.27 0.30 -0.67 3.99 0.02 -1.94 -1.09 113.55 113.89 1qwn h SER 916 Ca -0.45 0.07 -0.07 0.00 -0.84 0.00 0.00 61.79 60.50 1qwn h SER 916 Cb 1.27 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.82 1qwn h SER 916 CO 0.60 0.17 0.13 0.00 -1.14 0.00 0.00 176.83 176.60 1qwn h ALA 917 N 1.41 0.89 -0.34 3.77 0.00 -1.99 -0.61 119.26 122.39 1qwn h ALA 917 Ca 0.31 -0.26 -0.14 0.00 0.00 0.00 0.00 54.91 54.82 1qwn h ALA 917 Cb 0.37 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1qwn h ALA 917 CO -0.29 0.64 -0.35 0.00 0.00 0.00 0.00 179.25 179.25 1qwn h ALA 918 N 1.06 0.74 -0.22 0.00 0.00 -1.85 -0.94 119.26 118.05 1qwn h ALA 918 Ca 0.21 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1qwn h ALA 918 Cb 0.41 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1qwn h ALA 918 CO 0.01 0.66 0.01 1.25 0.00 0.00 0.00 179.25 181.18 1qwn h HIS 919 N 0.65 0.41 -0.78 0.00 2.76 -0.92 -0.47 115.15 116.79 1qwn h HIS 919 Ca 0.06 -0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 1qwn h HIS 919 Cb 0.90 -0.11 -0.04 0.00 1.55 0.00 0.00 27.41 29.71 1qwn h HIS 919 CO 0.05 0.55 0.50 0.87 -1.30 0.00 0.00 177.93 178.59 1qwn h LYS 920 N 0.15 1.05 -0.65 5.26 1.57 -1.06 -0.92 116.57 121.96 1qwn h LYS 920 Ca 0.06 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.73 1qwn h LYS 920 Cb 0.38 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 1qwn h LYS 920 CO 0.01 0.71 0.27 0.00 -0.57 0.00 0.00 179.45 179.87 1qwn h ALA 921 N 1.48 0.84 -0.57 3.86 0.00 -0.86 -0.21 119.26 123.80 1qwn h ALA 921 Ca 0.28 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1qwn h ALA 921 Cb -0.09 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 1qwn h ALA 921 CO -0.06 0.45 0.31 1.03 0.00 0.00 0.00 179.25 180.98 1qwn h SER 922 N 0.91 0.72 -0.22 0.00 0.87 -0.52 -2.38 113.55 112.93 1qwn h SER 922 Ca 0.22 -0.10 -0.01 0.00 -1.23 0.00 0.00 61.79 60.67 1qwn h SER 922 Cb 0.19 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 61.95 1qwn h SER 922 CO -0.02 0.61 0.10 1.56 -0.53 0.00 0.00 176.83 178.55 1qwn h GLN 923 N 0.77 0.37 0.00 2.24 4.20 -0.80 -1.12 115.11 120.77 1qwn h GLN 923 Ca 0.20 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.83 1qwn h GLN 923 Cb 0.05 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 1qwn h GLN 923 CO -0.03 0.32 -0.21 0.66 -0.67 0.00 0.00 178.83 178.89 1qwn h SER 924 N 0.37 0.00 0.08 1.46 4.64 -0.52 0.11 113.55 119.69 1qwn h SER 924 Ca 0.09 0.00 -0.21 0.00 -0.47 0.00 0.00 61.79 61.20 1qwn h SER 924 Cb 0.08 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 1qwn h SER 924 CO -0.01 0.21 -1.08 -0.07 -0.87 0.00 0.00 176.83 175.01 1qwn h LEU 925 N 0.00 0.26 0.12 5.97 3.38 -1.11 -3.35 115.31 120.58 1qwn h LEU 925 Ca -0.00 -0.83 -0.30 0.00 0.09 0.00 0.00 57.88 56.84 1qwn h LEU 925 Cb 0.48 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1qwn h LEU 925 CO 0.03 1.46 -1.50 -0.07 0.09 0.00 0.00 178.44 178.45 1qwn h LEU 926 N -0.56 0.41 -5.98 1.67 3.38 -1.16 -3.41 115.31 109.68 1qwn h LEU 926 Ca -0.24 -0.55 -0.56 0.00 0.09 0.00 0.00 57.88 56.62 1qwn h LEU 926 Cb 1.53 -0.13 -0.40 0.00 0.09 0.00 0.00 40.66 41.75 1qwn h LEU 926 CO 0.01 1.45 -0.94 0.47 0.09 0.00 0.00 178.44 179.53 1qwn n ASP 927 N -3.47 1.72 -4.67 -0.43 8.00 0.02 -4.62 116.55 113.09 1qwn n ASP 927 Ca -0.16 -3.06 -0.29 0.00 0.71 0.00 0.00 54.79 52.00 1qwn n ASP 927 Cb 1.04 -0.64 0.18 0.00 -0.02 0.00 0.00 41.12 41.69 1qwn n ASP 927 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1qwn s PRO 928 N -2.00 0.36 0.45 -0.24 0.04 -1.24 -4.72 135.00 127.65 1qwn s PRO 928 Ca 0.39 0.54 -0.25 0.00 0.04 0.00 0.00 61.00 61.71 1qwn s PRO 928 Cb 0.21 -1.73 -0.08 0.00 0.04 0.00 0.00 34.50 32.94 1qwn s PRO 928 CO -0.08 -2.78 1.41 1.28 0.04 0.00 0.00 177.00 176.87 1qwn n LEU 929 N -4.21 5.03 -4.86 -3.56 4.77 -1.26 -4.76 117.00 108.14 1qwn n LEU 929 Ca 0.05 1.11 -0.34 0.00 -0.03 0.00 0.00 56.01 56.80 1qwn n LEU 929 Cb 0.57 -1.59 -0.06 0.00 -2.33 0.00 0.00 43.42 40.01 1qwn n LEU 929 CO 0.57 -0.24 0.21 -1.81 -1.33 0.00 0.00 177.39 174.80 1qwn s ASP 930 N -0.50 6.75 -0.08 -1.43 1.01 -0.28 -4.91 116.67 117.23 1qwn s ASP 930 Ca 0.62 1.00 0.04 0.00 0.71 0.00 0.00 52.55 54.92 1qwn s ASP 930 Cb -0.45 -2.26 0.00 0.00 1.01 0.00 0.00 42.92 41.22 1qwn s ASP 930 CO 0.57 0.06 -0.20 -0.54 0.21 0.00 0.00 175.17 175.27 1qwn s LYS 931 N -2.19 2.42 -0.04 8.23 1.02 -1.26 -0.94 119.74 126.97 1qwn s LYS 931 Ca 0.40 -0.72 0.05 0.00 0.02 0.00 0.00 55.97 55.72 1qwn s LYS 931 Cb -0.14 -1.93 -0.01 0.00 -0.52 0.00 0.00 37.83 35.24 1qwn s LYS 931 CO 0.20 0.18 -0.19 -0.06 -0.92 0.00 0.00 175.35 174.56 1qwn s PHE 932 N 0.29 1.85 -0.20 3.18 0.40 0.51 -1.05 117.98 122.97 1qwn s PHE 932 Ca -0.13 -0.51 -0.03 0.00 -0.60 0.00 0.00 56.93 55.66 1qwn s PHE 932 Cb -0.16 -1.23 -0.01 0.00 0.51 0.00 0.00 43.02 42.13 1qwn s PHE 932 CO 0.06 -0.15 -0.07 0.42 0.70 0.00 0.00 175.22 176.17 1qwn s ILE 933 N -0.08 3.22 0.19 0.64 1.01 0.06 -0.89 121.20 125.35 1qwn s ILE 933 Ca -0.02 -0.56 -0.31 0.00 0.00 0.00 0.00 60.65 59.76 1qwn s ILE 933 Cb -0.11 -2.44 -0.10 0.00 0.01 0.00 0.00 42.46 39.82 1qwn s ILE 933 CO 0.02 0.46 1.55 0.12 0.00 0.00 0.00 174.94 177.09 1qwn s PHE 934 N 1.19 3.03 0.01 3.97 5.36 -0.67 -1.49 117.98 129.38 1qwn s PHE 934 Ca 0.02 0.69 -0.19 0.00 -0.96 0.00 0.00 56.93 56.49 1qwn s PHE 934 Cb -0.14 -3.93 -0.25 0.00 -0.34 0.00 0.00 43.02 38.35 1qwn s PHE 934 CO -0.02 -3.34 1.07 0.00 -1.46 0.00 0.00 175.22 171.47 1qwn h ALA 935 N 6.39 0.04 -2.12 11.12 0.00 -1.08 -3.46 119.26 130.15 1qwn h ALA 935 Ca -0.43 -0.63 -0.45 0.00 0.00 0.00 0.00 54.91 53.40 1qwn h ALA 935 Cb 1.21 0.06 0.16 0.00 0.00 0.00 0.00 17.79 19.21 1qwn h ALA 935 CO 0.89 0.42 0.41 -1.21 0.00 0.00 0.00 179.25 179.76 1qwn s GLU 936 N -3.06 0.75 0.13 0.00 2.02 -1.26 -5.00 118.70 112.28 1qwn s GLU 936 Ca -0.13 -0.32 -0.05 0.00 0.02 0.00 0.00 54.97 54.50 1qwn s GLU 936 Cb 0.04 -1.85 -0.10 0.00 0.10 0.00 0.00 34.13 32.32 1qwn s GLU 936 CO 0.85 -2.35 1.30 -0.91 0.02 0.00 0.00 175.26 174.16 1qwn h ASN 937 N -1.60 0.57 -3.60 -0.19 2.35 -1.97 -3.45 115.58 107.69 1qwn h ASN 937 Ca -0.45 -0.45 -0.42 0.00 -0.55 0.00 0.00 56.30 54.43 1qwn h ASN 937 Cb 1.25 -0.17 -0.32 0.00 0.05 0.00 0.00 38.32 39.12 1qwn h ASN 937 CO 0.42 1.24 -0.78 -0.70 -1.65 0.00 0.00 177.43 175.96 1qwn s GLU 938 N -3.30 0.97 -0.56 0.81 2.12 -1.26 -4.96 118.70 112.52 1qwn s GLU 938 Ca -0.06 -0.22 -0.13 0.00 0.36 0.00 0.00 54.97 54.92 1qwn s GLU 938 Cb 0.09 -0.91 0.14 0.00 0.26 0.00 0.00 34.13 33.71 1qwn s GLU 938 CO 0.87 0.01 0.48 -0.46 -0.54 0.00 0.00 175.26 175.62 1qwn s TRP 939 N 0.57 3.39 0.09 5.30 -0.00 -1.26 -5.06 118.94 121.97 1qwn s TRP 939 Ca -0.09 -1.66 -0.30 0.00 -0.00 0.00 0.00 56.10 54.05 1qwn s TRP 939 Cb -0.12 -3.67 -0.06 0.00 -0.00 0.00 0.00 33.47 29.62 1qwn s TRP 939 CO 0.01 -1.00 1.13 0.42 -0.00 0.00 0.00 176.95 177.51 1qwn s ILE 940 N 1.24 4.12 0.00 5.86 1.01 -1.26 -3.35 121.20 128.82 1qwn s ILE 940 Ca 0.07 1.61 0.00 0.00 0.00 0.00 0.00 60.65 62.33 1qwn s ILE 940 Cb -0.25 -4.03 0.00 0.00 0.01 0.00 0.00 42.46 38.19 1qwn s ILE 940 CO -0.00 0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.72 1qwn n GLY 941 N 2.78 0.62 3.77 6.18 0.00 -1.26 -4.79 105.19 112.49 1qwn n GLY 941 Ca 0.06 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.56 1qwn n GLY 941 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qwn s ALA 942 N -2.00 3.39 0.22 4.61 0.00 -1.21 -1.15 121.76 125.62 1qwn s ALA 942 Ca 0.00 1.53 0.10 0.00 0.00 0.00 0.00 51.96 53.59 1qwn s ALA 942 Cb 0.00 -3.61 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 1qwn s ALA 942 CO 0.00 -1.16 -0.14 -0.65 0.00 0.00 0.00 175.76 173.81 1qwn s GLN 943 N -2.31 1.87 0.14 0.00 -0.21 0.45 -4.88 119.66 114.72 1qwn s GLN 943 Ca 0.58 -1.49 0.24 0.00 0.02 0.00 0.00 55.36 54.70 1qwn s GLN 943 Cb -0.45 -1.98 0.24 0.00 1.00 0.00 0.00 33.01 31.82 1qwn s GLN 943 CO 0.60 0.39 1.24 0.78 -2.12 0.00 0.00 175.29 176.18 1qwn h GLY 944 N 2.63 0.00 -3.93 3.09 0.00 -1.93 -3.43 103.07 99.50 1qwn h GLY 944 Ca -0.44 0.00 0.01 0.00 0.00 0.00 0.00 47.33 46.89 1qwn h GLY 944 CO 0.55 0.00 0.33 1.62 0.00 0.00 0.00 176.54 179.05 1qwn s GLN 945 N -3.22 0.92 -0.01 4.80 0.74 -1.26 -1.41 119.66 120.22 1qwn s GLN 945 Ca 0.04 0.07 0.01 0.00 0.05 0.00 0.00 55.36 55.53 1qwn s GLN 945 Cb 0.12 0.43 0.01 0.00 1.10 0.00 0.00 33.01 34.67 1qwn s GLN 945 CO 0.74 -0.32 -0.03 0.12 -0.55 0.00 0.00 175.29 175.25 1qwn s PHE 946 N -1.71 0.40 0.00 1.67 5.36 -0.43 -4.89 117.98 118.37 1qwn s PHE 946 Ca -0.05 -0.07 0.00 0.00 -0.96 0.00 0.00 56.93 55.85 1qwn s PHE 946 Cb -0.00 -0.33 0.00 0.00 -0.34 0.00 0.00 43.02 42.35 1qwn s PHE 946 CO 0.02 -0.05 0.00 0.41 -1.46 0.00 0.00 175.22 174.14 1qwn n GLY 947 N 3.36 0.79 0.31 13.12 0.00 -1.26 -1.11 105.19 120.40 1qwn n GLY 947 Ca -0.18 -0.01 0.18 0.00 0.00 0.00 0.00 46.02 46.01 1qwn n GLY 947 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1qwn h GLY 948 N 0.00 0.00 -1.91 -0.02 0.00 -1.90 -0.47 103.07 98.77 1qwn h GLY 948 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1qwn h GLY 948 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 176.54 178.63 1qwn n ASP 949 N -3.48 2.94 -4.76 0.19 5.75 -1.26 -4.94 116.55 110.99 1qwn n ASP 949 Ca -0.03 -1.93 -0.40 0.00 -0.01 0.00 0.00 54.79 52.43 1qwn n ASP 949 Cb 0.09 -0.25 -0.05 0.00 -1.03 0.00 0.00 41.12 39.89 1qwn n ASP 949 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 1qwn s HIS 950 N -1.50 3.64 0.44 2.11 3.76 -0.19 -4.99 115.29 118.56 1qwn s HIS 950 Ca 0.37 1.75 -0.25 0.00 -0.15 0.00 0.00 55.06 56.77 1qwn s HIS 950 Cb 0.21 -3.19 -0.08 0.00 1.11 0.00 0.00 32.58 30.63 1qwn s HIS 950 CO 0.29 -0.31 1.38 -2.14 -0.85 0.00 0.00 174.74 173.12 1qwn s PRO 951 N -1.53 3.78 -0.48 8.40 0.02 -1.26 -4.70 135.00 139.23 1qwn s PRO 951 Ca 0.45 2.33 -0.14 0.00 0.02 0.00 0.00 61.00 63.66 1qwn s PRO 951 Cb -0.29 -2.69 0.09 0.00 0.02 0.00 0.00 34.50 31.63 1qwn s PRO 951 CO 0.37 -0.71 0.39 0.45 -0.33 0.00 0.00 177.00 177.17 1qwn s SER 952 N -0.59 6.04 0.60 2.53 0.15 -1.26 -4.63 113.70 116.53 1qwn s SER 952 Ca 0.60 -1.50 -0.11 0.00 0.70 0.00 0.00 55.95 55.63 1qwn s SER 952 Cb -0.42 -2.14 -0.04 0.00 -1.71 0.00 0.00 66.02 61.71 1qwn s SER 952 CO 0.54 -0.68 1.01 0.00 1.20 0.00 0.00 173.24 175.30 1qwn s ALA 953 N 1.58 3.12 0.52 5.45 0.00 0.41 -1.89 121.76 130.94 1qwn s ALA 953 Ca 0.04 -0.10 -0.20 0.00 0.00 0.00 0.00 51.96 51.69 1qwn s ALA 953 Cb -0.25 -3.04 -0.09 0.00 0.00 0.00 0.00 23.12 19.74 1qwn s ALA 953 CO 0.05 -0.63 0.75 -2.13 0.00 0.00 0.00 175.76 173.80 1qwn n ARG 954 N -2.62 0.81 0.28 0.00 0.63 -1.26 -4.70 116.66 109.79 1qwn n ARG 954 Ca 0.06 0.30 0.13 0.00 -0.92 0.00 0.00 57.85 57.42 1qwn n ARG 954 Cb 0.54 -1.86 0.80 0.00 0.45 0.00 0.00 32.46 32.38 1qwn n ARG 954 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 1qwn h GLU 955 N 0.69 0.00 -0.00 -0.14 4.11 -1.97 -1.06 114.58 116.21 1qwn h GLU 955 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 1qwn h GLU 955 Cb 1.38 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.63 1qwn h GLU 955 CO 0.51 0.07 -0.05 -0.40 0.07 0.00 0.00 179.01 179.21 1qwn n ASP 956 N -3.80 0.36 -4.82 3.06 5.68 -1.26 -4.85 116.55 110.92 1qwn n ASP 956 Ca -0.02 -0.72 -0.36 0.00 -0.50 0.00 0.00 54.79 53.19 1qwn n ASP 956 Cb 0.16 -0.08 -0.07 0.00 -1.14 0.00 0.00 41.12 39.99 1qwn n ASP 956 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 1qwn s LEU 957 N -2.30 4.22 0.03 -2.12 2.96 -0.40 -1.16 118.68 119.90 1qwn s LEU 957 Ca 0.35 0.37 0.04 0.00 -0.22 0.00 0.00 54.13 54.67 1qwn s LEU 957 Cb 0.21 -2.03 -0.02 0.00 0.50 0.00 0.00 46.19 44.85 1qwn s LEU 957 CO 0.43 0.36 -0.11 -0.62 -1.32 0.00 0.00 176.35 175.09 1qwn s ASP 958 N -0.74 1.31 -0.90 3.68 2.15 0.18 -4.77 116.67 117.58 1qwn s ASP 958 Ca 0.13 -0.42 -0.16 0.00 0.43 0.00 0.00 52.55 52.53 1qwn s ASP 958 Cb -0.12 -0.07 0.17 0.00 -0.30 0.00 0.00 42.92 42.61 1qwn s ASP 958 CO 0.03 -0.02 0.98 -0.69 -0.17 0.00 0.00 175.17 175.30 1qwn s VAL 959 N -0.85 5.16 0.29 1.11 1.01 -1.26 -1.21 120.40 124.64 1qwn s VAL 959 Ca -0.01 -2.05 -0.02 0.00 0.00 0.00 0.00 61.98 59.90 1qwn s VAL 959 Cb -0.07 -4.64 0.22 0.00 0.00 0.00 0.00 36.38 31.88 1qwn s VAL 959 CO 0.01 -1.29 1.91 0.28 0.00 0.00 0.00 175.10 176.01 1qwn h SER 960 N 8.27 0.89 -3.63 3.32 0.02 -1.25 -3.43 113.55 117.74 1qwn h SER 960 Ca 0.14 -0.07 -0.29 0.00 -0.84 0.00 0.00 61.79 60.73 1qwn h SER 960 Cb 1.02 -0.22 -0.31 0.00 0.14 0.00 0.00 62.40 63.02 1qwn h SER 960 CO 0.95 0.72 -0.73 -0.69 -1.14 0.00 0.00 176.83 175.94 1qwn s VAL 961 N -5.65 0.07 -0.10 2.27 1.01 -1.14 -4.96 120.40 111.89 1qwn s VAL 961 Ca -0.11 0.06 -0.00 0.00 0.00 0.00 0.00 61.98 61.93 1qwn s VAL 961 Cb 0.17 -0.13 0.02 0.00 0.00 0.00 0.00 36.38 36.44 1qwn s VAL 961 CO 0.80 0.07 -0.07 -0.32 0.00 0.00 0.00 175.10 175.58 1qwn s MET 962 N 0.56 1.41 -0.10 2.72 0.00 -1.26 -0.97 119.30 121.65 1qwn s MET 962 Ca -0.05 -0.22 -0.04 0.00 0.00 0.00 0.00 55.69 55.38 1qwn s MET 962 Cb -0.07 -1.45 0.05 0.00 0.00 0.00 0.00 34.83 33.35 1qwn s MET 962 CO -0.01 -0.22 0.21 0.50 0.00 0.00 0.00 175.02 175.49 1qwn s ARG 963 N 1.56 0.11 0.14 4.11 3.52 0.10 -3.32 118.95 125.17 1qwn s ARG 963 Ca 0.02 0.61 -0.30 0.00 -0.13 0.00 0.00 55.73 55.93 1qwn s ARG 963 Cb -0.13 -0.15 -0.07 0.00 -1.56 0.00 0.00 34.95 33.04 1qwn s ARG 963 CO -0.06 -0.27 1.15 0.50 -0.81 0.00 0.00 175.30 175.82 1qwn s ARG 964 N 2.09 4.51 0.00 5.12 3.52 -1.26 -0.42 118.95 132.51 1qwn s ARG 964 Ca -0.01 1.76 0.20 0.00 -0.13 0.00 0.00 55.73 57.56 1qwn s ARG 964 Cb -0.12 -3.30 -0.16 0.00 -1.56 0.00 0.00 34.95 29.82 1qwn s ARG 964 CO -0.07 -0.08 0.90 1.28 -0.81 0.00 0.00 175.30 176.52 1qwn n LEU 965 N 2.95 1.24 -4.36 -0.88 4.77 0.54 -4.92 117.00 116.33 1qwn n LEU 965 Ca 0.05 -0.58 -0.29 0.00 -0.03 0.00 0.00 56.01 55.16 1qwn n LEU 965 Cb 0.46 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.41 1qwn n LEU 965 CO 0.55 0.27 -0.57 0.42 -1.33 0.00 0.00 177.39 176.73 1qwn s THR 966 N -2.73 2.17 0.81 -5.08 -4.23 -1.22 -4.95 115.64 100.40 1qwn s THR 966 Ca 0.10 -1.53 -0.11 0.00 -1.18 0.00 0.00 61.69 58.97 1qwn s THR 966 Cb 0.16 -1.88 0.09 0.00 1.34 0.00 0.00 72.50 72.21 1qwn s THR 966 CO 0.74 0.25 1.17 -0.54 -0.54 0.00 0.00 174.62 175.70 1qwn s LYS 967 N -1.56 1.84 0.58 3.99 1.02 -1.26 -4.88 119.74 119.47 1qwn s LYS 967 Ca 0.12 -0.02 0.36 0.00 0.02 0.00 0.00 55.97 56.46 1qwn s LYS 967 Cb -0.10 -1.98 1.65 0.00 -0.52 0.00 0.00 37.83 36.88 1qwn s LYS 967 CO 0.04 -1.63 2.09 0.66 -0.92 0.00 0.00 175.35 175.58 1qwn h SER 968 N -1.05 0.00 1.00 2.83 4.64 -1.97 -2.62 113.55 116.38 1qwn h SER 968 Ca -0.45 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1qwn h SER 968 Cb 1.32 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1qwn h SER 968 CO 0.62 0.01 0.00 0.77 -0.87 0.00 0.00 176.83 177.35 1qwn h SER 969 N 0.00 0.00 -2.94 4.97 4.64 -1.93 -3.45 113.55 114.85 1qwn h SER 969 Ca -0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 1qwn h SER 969 Cb 0.38 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.44 1qwn h SER 969 CO 0.00 0.00 0.84 0.00 -0.87 0.00 0.00 176.83 176.80 1qwn s ALA 970 N -3.28 3.58 0.22 5.18 0.00 -0.99 -4.93 121.76 121.55 1qwn s ALA 970 Ca 0.06 0.67 -0.08 0.00 0.00 0.00 0.00 51.96 52.61 1qwn s ALA 970 Cb 0.10 -3.59 0.25 0.00 0.00 0.00 0.00 23.12 19.87 1qwn s ALA 970 CO 0.47 -0.99 1.86 -0.22 0.00 0.00 0.00 175.76 176.88 1qwn h LYS 971 N 7.99 0.94 -4.64 0.00 3.64 -1.91 -3.36 116.57 119.23 1qwn h LYS 971 Ca -0.33 -0.06 -0.70 0.00 -1.27 0.00 0.00 60.65 58.30 1qwn h LYS 971 Cb 1.15 -0.21 -0.23 0.00 -0.41 0.00 0.00 32.23 32.52 1qwn h LYS 971 CO 0.92 0.62 -0.52 0.99 -2.27 0.00 0.00 179.45 179.19 1qwn s THR 972 N -6.10 4.68 0.39 1.00 2.01 -1.26 -4.75 115.64 111.60 1qwn s THR 972 Ca -0.13 -0.68 -0.23 0.00 0.31 0.00 0.00 61.69 60.96 1qwn s THR 972 Cb 0.17 -3.53 -0.10 0.00 0.01 0.00 0.00 72.50 69.04 1qwn s THR 972 CO 0.78 -0.14 0.96 -1.10 -0.69 0.00 0.00 174.62 174.43 1qwn s GLN 973 N 1.59 4.35 -0.03 4.92 -1.52 -0.67 -4.84 119.66 123.46 1qwn s GLN 973 Ca 0.03 1.25 0.03 0.00 -1.95 0.00 0.00 55.36 54.71 1qwn s GLN 973 Cb -0.18 -2.45 0.00 0.00 -0.22 0.00 0.00 33.01 30.15 1qwn s GLN 973 CO 0.07 0.07 -0.10 1.03 -0.25 0.00 0.00 175.29 176.11 1qwn s ARG 974 N -2.67 1.07 -0.06 2.91 0.52 -1.26 -0.37 118.95 119.09 1qwn s ARG 974 Ca 0.57 -0.35 0.02 0.00 -0.52 0.00 0.00 55.73 55.45 1qwn s ARG 974 Cb -0.14 -0.99 0.02 0.00 0.52 0.00 0.00 34.95 34.36 1qwn s ARG 974 CO 0.19 0.14 -0.10 0.08 0.02 0.00 0.00 175.30 175.62 1qwn s VAL 975 N 0.16 0.98 -0.06 3.52 1.01 -0.18 -0.34 120.40 125.47 1qwn s VAL 975 Ca -0.03 -0.39 -0.04 0.00 0.00 0.00 0.00 61.98 61.52 1qwn s VAL 975 Cb -0.09 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 1qwn s VAL 975 CO 0.01 0.32 0.12 -0.83 0.00 0.00 0.00 175.10 174.72 1qwn s GLY 976 N 0.73 2.09 -0.02 4.51 0.00 0.43 -0.90 107.32 114.16 1qwn s GLY 976 Ca -0.14 -0.74 0.03 0.00 0.00 0.00 0.00 44.72 43.87 1qwn s GLY 976 CO 0.03 -0.55 -0.10 -0.19 0.00 0.00 0.00 173.10 172.30 1qwn s TYR 977 N -1.12 0.96 -0.22 1.90 1.51 0.56 -0.72 117.35 120.22 1qwn s TYR 977 Ca 0.19 -0.22 -0.05 0.00 -1.01 0.00 0.00 57.07 55.98 1qwn s TYR 977 Cb -0.12 -0.66 -0.02 0.00 -0.11 0.00 0.00 41.96 41.05 1qwn s TYR 977 CO 0.09 -0.07 0.00 0.08 -1.11 0.00 0.00 175.55 174.54 1qwn s VAL 978 N 0.05 3.83 -0.17 0.71 1.01 -0.14 -0.76 120.40 124.93 1qwn s VAL 978 Ca -0.01 -0.34 -0.04 0.00 0.00 0.00 0.00 61.98 61.59 1qwn s VAL 978 Cb -0.07 -2.75 -0.02 0.00 0.00 0.00 0.00 36.38 33.53 1qwn s VAL 978 CO 0.00 0.40 -0.03 -0.76 0.00 0.00 0.00 175.10 174.71 1qwn s LEU 979 N 1.35 3.18 -0.10 3.92 1.43 0.26 -0.65 118.68 128.07 1qwn s LEU 979 Ca 0.04 -0.19 0.03 0.00 -1.03 0.00 0.00 54.13 52.99 1qwn s LEU 979 Cb -0.15 -1.78 0.01 0.00 0.03 0.00 0.00 46.19 44.30 1qwn s LEU 979 CO 0.00 0.12 -0.20 -2.28 0.23 0.00 0.00 176.35 174.22 1qwn s HIS 980 N 0.66 2.26 -0.20 0.29 5.65 -0.35 -1.29 115.29 122.31 1qwn s HIS 980 Ca -0.02 -0.97 -0.04 0.00 0.25 0.00 0.00 55.06 54.28 1qwn s HIS 980 Cb -0.14 -1.55 -0.02 0.00 -1.18 0.00 0.00 32.58 29.69 1qwn s HIS 980 CO 0.02 -0.43 -0.03 0.50 -0.65 0.00 0.00 174.74 174.15 1qwn s ARG 981 N 0.57 3.47 0.10 2.88 3.52 -0.71 -0.64 118.95 128.14 1qwn s ARG 981 Ca -0.15 -0.59 -0.01 0.00 -0.13 0.00 0.00 55.73 54.85 1qwn s ARG 981 Cb -0.17 -3.00 0.02 0.00 -1.56 0.00 0.00 34.95 30.25 1qwn s ARG 981 CO 0.05 -0.07 0.13 -2.37 -0.81 0.00 0.00 175.30 172.23 1qwn n THR 982 N 4.45 0.00 -3.87 4.11 5.66 -0.31 -0.02 114.28 124.30 1qwn n THR 982 Ca -0.18 -0.14 -0.26 0.00 -3.05 0.00 0.00 64.05 60.43 1qwn n THR 982 Cb 0.51 -1.66 -0.17 0.00 -1.55 0.00 0.00 70.33 67.47 1qwn n THR 982 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 1qwn s ASN 983 N -1.50 2.00 0.01 1.09 2.47 -1.26 -3.72 114.94 114.03 1qwn s ASN 983 Ca 0.08 -0.24 0.02 0.00 0.42 0.00 0.00 52.86 53.15 1qwn s ASN 983 Cb -0.00 -0.72 -0.04 0.00 -1.45 0.00 0.00 41.25 39.04 1qwn s ASN 983 CO 0.05 -0.14 -0.01 -0.76 -3.72 0.00 0.00 177.10 172.52 1qwn s LEU 984 N 1.78 3.44 0.47 3.21 1.43 -1.26 -4.23 118.68 123.52 1qwn s LEU 984 Ca 0.05 -0.06 -0.23 0.00 -1.03 0.00 0.00 54.13 52.86 1qwn s LEU 984 Cb -0.12 -2.00 -0.07 0.00 0.03 0.00 0.00 46.19 44.03 1qwn s LEU 984 CO -0.07 0.27 1.21 -0.04 0.23 0.00 0.00 176.35 177.95 1qwn s MET 985 N -1.63 3.67 -0.33 1.70 -1.94 -0.24 -4.98 119.30 115.55 1qwn s MET 985 Ca 0.20 1.89 -0.23 0.00 -1.71 0.00 0.00 55.69 55.84 1qwn s MET 985 Cb -0.11 -2.42 0.00 0.00 2.01 0.00 0.00 34.83 34.31 1qwn s MET 985 CO 0.11 -0.65 0.76 -0.65 -0.01 0.00 0.00 175.02 174.58 1qwn s GLN 986 N -2.68 3.85 -0.07 2.03 -1.52 -1.26 -4.69 119.66 115.32 1qwn s GLN 986 Ca 0.64 0.42 0.11 0.00 -1.95 0.00 0.00 55.36 54.57 1qwn s GLN 986 Cb -0.32 -3.77 0.16 0.00 -0.22 0.00 0.00 33.01 28.87 1qwn s GLN 986 CO 0.38 -0.75 1.06 0.00 -0.25 0.00 0.00 175.29 175.74 1qwn n GLY 988 N -0.86 0.59 3.63 0.00 0.00 -1.26 -4.66 105.19 102.63 1qwn n GLY 988 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1qwn n GLY 988 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qwn s THR 989 N -2.00 4.91 0.56 2.61 2.01 -1.26 -4.93 115.64 117.54 1qwn s THR 989 Ca 0.00 1.32 0.28 0.00 0.31 0.00 0.00 61.69 63.59 1qwn s THR 989 Cb 0.00 -4.02 0.40 0.00 0.01 0.00 0.00 72.50 68.89 1qwn s THR 989 CO 0.00 -0.03 1.97 -0.65 -0.69 0.00 0.00 174.62 175.22 1qwn h PRO 990 N 7.82 0.00 0.00 4.92 0.11 -2.05 -3.47 132.00 139.33 1qwn h PRO 990 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1qwn h PRO 990 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1qwn h PRO 990 CO 0.82 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 179.00 1qwn n GLU 991 N -4.08 0.00 0.00 1.05 1.02 -1.26 -4.95 120.64 112.42 1qwn n GLU 991 Ca 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1qwn n GLU 991 Cb 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.06 1qwn n GLU 991 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1qwn n GLU 992 N 1.06 3.29 -0.18 3.49 -0.58 -1.26 -5.04 120.64 121.41 1qwn n GLU 992 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1qwn n GLU 992 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1qwn n GLU 992 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 1qwn n HIS 993 N 0.00 0.00 -4.18 -0.32 1.44 -1.26 -5.02 115.22 105.89 1qwn n HIS 993 Ca 0.00 0.00 -0.11 0.00 -2.01 0.00 0.00 57.72 55.60 1qwn n HIS 993 Cb 0.00 0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.01 1qwn n HIS 993 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 1qwn s THR 994 N 0.00 0.42 0.04 0.61 -4.23 -1.26 -5.07 115.64 106.15 1qwn s THR 994 Ca 0.00 -1.93 0.00 0.00 -1.18 0.00 0.00 61.69 58.59 1qwn s THR 994 Cb 0.00 -1.95 -0.04 0.00 1.34 0.00 0.00 72.50 71.85 1qwn s THR 994 CO 0.00 -0.60 0.15 -1.10 -0.54 0.00 0.00 174.62 172.53 1qwn s GLN 995 N -3.95 3.23 0.26 3.99 -0.21 -0.79 -4.94 119.66 117.25 1qwn s GLN 995 Ca 0.20 -0.50 -0.30 0.00 0.02 0.00 0.00 55.36 54.78 1qwn s GLN 995 Cb 0.07 -2.94 -0.10 0.00 1.00 0.00 0.00 33.01 31.04 1qwn s GLN 995 CO 0.00 0.61 1.43 0.21 -2.12 0.00 0.00 175.29 175.42 1qwn s LYS 996 N -2.27 4.27 -0.30 2.91 2.20 -1.26 -4.15 119.74 121.14 1qwn s LYS 996 Ca 0.30 2.30 -0.09 0.00 -0.36 0.00 0.00 55.97 58.12 1qwn s LYS 996 Cb -0.13 -3.10 -0.01 0.00 -1.51 0.00 0.00 37.83 33.08 1qwn s LYS 996 CO 0.23 -0.40 0.14 -1.17 -0.36 0.00 0.00 175.35 173.79 1qwn s LEU 997 N -0.62 3.96 -0.43 5.43 2.96 -1.26 -4.88 118.68 123.83 1qwn s LEU 997 Ca 0.58 -0.43 -0.03 0.00 -0.22 0.00 0.00 54.13 54.03 1qwn s LEU 997 Cb -0.42 -1.99 0.11 0.00 0.50 0.00 0.00 46.19 44.40 1qwn s LEU 997 CO 0.45 -0.15 0.22 -0.62 -1.32 0.00 0.00 176.35 174.93 1qwn s ASP 998 N 1.62 5.24 0.59 3.68 3.68 -1.26 -4.55 116.67 125.67 1qwn s ASP 998 Ca 0.05 -2.11 0.33 0.00 2.13 0.00 0.00 52.55 52.95 1qwn s ASP 998 Cb -0.17 -1.83 1.84 0.00 -1.45 0.00 0.00 42.92 41.32 1qwn s ASP 998 CO 0.06 -0.53 2.22 -0.37 0.13 0.00 0.00 175.17 176.69 1qwn h VAL 999 N 6.27 0.40 0.00 1.11 -1.51 -1.96 -2.32 116.25 118.24 1qwn h VAL 999 Ca -0.12 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.19 1qwn h VAL 999 Cb 1.04 1.11 0.00 0.00 -2.13 0.00 0.00 31.29 31.31 1qwn h VAL 999 CO 0.70 0.03 0.00 0.00 -1.23 0.00 0.00 177.57 177.07 1qwn n HIS 1001N -2.41 0.85 0.13 0.00 8.25 -0.87 -4.50 115.22 116.66 1qwn n HIS 1001Ca 0.02 -0.61 -0.00 0.00 -0.26 0.00 0.00 57.72 56.87 1qwn n HIS 1001Cb 0.25 -0.14 0.27 0.00 1.12 0.00 0.00 29.99 31.49 1qwn n HIS 1001CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1qwn h LEU 1002N 2.64 0.13 -9.41 2.41 3.38 -1.50 -3.42 115.31 109.54 1qwn h LEU 1002Ca 0.00 -0.05 -0.66 0.00 0.09 0.00 0.00 57.88 57.26 1qwn h LEU 1002Cb 1.08 -0.04 -0.13 0.00 0.09 0.00 0.00 40.66 41.66 1qwn h LEU 1002CO 0.10 0.53 -0.65 -0.76 0.09 0.00 0.00 178.44 177.75 1qwn s LEU 1003N -8.18 3.49 0.85 1.67 1.43 -1.26 -5.12 118.68 111.56 1qwn s LEU 1003Ca -0.04 -0.08 -0.12 0.00 -1.03 0.00 0.00 54.13 52.87 1qwn s LEU 1003Cb 0.14 -2.09 0.10 0.00 0.03 0.00 0.00 46.19 44.37 1qwn s LEU 1003CO 0.75 0.24 1.11 -2.16 0.23 0.00 0.00 176.35 176.52 1qwn s PRO 1004N -1.86 1.64 -1.28 1.29 0.04 -1.26 -4.34 135.00 129.22 1qwn s PRO 1004Ca 0.22 0.54 -0.04 0.00 0.04 0.00 0.00 61.00 61.76 1qwn s PRO 1004Cb -0.12 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.55 1qwn s PRO 1004CO 0.14 -1.91 1.09 0.09 0.04 0.00 0.00 177.00 176.45 1qwn n ASN 1005N -3.61 -4.11 -4.71 6.66 5.03 -1.26 -4.80 115.26 108.45 1qwn n ASN 1005Ca 0.07 -0.58 -0.42 0.00 0.87 0.00 0.00 54.58 54.51 1qwn n ASN 1005Cb 0.57 -5.08 -0.03 0.00 -1.02 0.00 0.00 39.78 34.22 1qwn n ASN 1005CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1qwn s VAL 1006N -3.34 3.92 -0.06 2.41 0.11 -1.26 -2.30 120.40 119.88 1qwn s VAL 1006Ca 0.28 1.38 0.12 0.00 -2.93 0.00 0.00 61.98 60.83 1qwn s VAL 1006Cb -0.12 -3.88 -0.18 0.00 -1.53 0.00 0.00 36.38 30.66 1qwn s VAL 1006CO 0.73 0.11 0.20 0.00 -3.33 0.00 0.00 175.10 172.81 1qwn n ALA 1007N 3.91 2.19 -3.52 1.54 0.00 0.92 -4.92 120.51 120.64 1qwn n ALA 1007Ca 0.09 -0.50 -0.17 0.00 0.00 0.00 0.00 53.44 52.86 1qwn n ALA 1007Cb 0.46 -0.29 -0.06 0.00 0.00 0.00 0.00 19.45 19.56 1qwn n ALA 1007CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1qwn s ARG 1008N -2.68 1.05 -0.05 0.00 3.52 -1.16 -4.98 118.95 114.65 1qwn s ARG 1008Ca -0.05 0.22 0.01 0.00 -0.13 0.00 0.00 55.73 55.78 1qwn s ARG 1008Cb 0.07 0.49 0.02 0.00 -1.56 0.00 0.00 34.95 33.97 1qwn s ARG 1008CO 0.53 -0.33 -0.04 0.00 -0.81 0.00 0.00 175.30 174.64 1qwn s GLU 1010N 1.01 1.00 0.08 0.00 2.02 -0.31 -0.99 118.70 121.52 1qwn s GLU 1010Ca -0.10 -0.51 -0.24 0.00 0.02 0.00 0.00 54.97 54.14 1qwn s GLU 1010Cb -0.14 -0.97 -0.06 0.00 0.10 0.00 0.00 34.13 33.05 1qwn s GLU 1010CO -0.00 0.26 0.74 0.50 0.02 0.00 0.00 175.26 176.77 1qwn s ARG 1011N -0.46 4.48 0.29 1.61 3.52 -0.13 -0.74 118.95 127.52 1qwn s ARG 1011Ca 0.04 1.04 0.03 0.00 -0.13 0.00 0.00 55.73 56.70 1qwn s ARG 1011Cb -0.05 -3.32 -0.06 0.00 -1.56 0.00 0.00 34.95 29.96 1qwn s ARG 1011CO -0.00 0.41 0.08 0.95 -0.81 0.00 0.00 175.30 175.93 1qwn s THR 1012N -0.51 0.88 1.04 4.11 -4.23 -0.24 0.14 115.64 116.83 1qwn s THR 1012Ca 0.36 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.76 1qwn s THR 1012Cb -0.21 -2.72 0.21 0.00 1.34 0.00 0.00 72.50 71.13 1qwn s THR 1012CO 0.23 0.00 1.09 0.42 -0.54 0.00 0.00 174.62 175.82 1qwn s THR 1013N -3.52 2.06 0.10 3.99 -4.23 -0.63 -3.94 115.64 109.47 1qwn s THR 1013Ca 0.37 0.02 0.33 0.00 -1.18 0.00 0.00 61.69 61.23 1qwn s THR 1013Cb 0.08 -2.06 0.36 0.00 1.34 0.00 0.00 72.50 72.23 1qwn s THR 1013CO 0.15 -0.03 2.00 -0.07 -0.54 0.00 0.00 174.62 176.13 1qwn h LEU 1014N -2.24 0.00 -0.38 4.79 3.38 -1.71 0.06 115.31 119.21 1qwn h LEU 1014Ca -0.52 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.45 1qwn h LEU 1014Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 1qwn h LEU 1014CO 0.46 0.00 -0.13 0.35 0.09 0.00 0.00 178.44 179.21 1qwn n THR 1015N -2.86 0.00 -0.98 0.22 -2.24 -1.26 -4.93 114.28 102.22 1qwn n THR 1015Ca -0.00 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 1qwn n THR 1015Cb 0.22 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 1qwn n THR 1015CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1qwn n PHE 1016N -0.74 0.00 0.75 4.78 0.99 0.01 -4.91 117.46 118.33 1qwn n PHE 1016Ca 0.15 0.00 0.12 0.00 -0.00 0.00 0.00 57.45 57.72 1qwn n PHE 1016Cb 0.30 -0.94 0.24 0.00 -1.00 0.00 0.00 39.48 38.07 1qwn n PHE 1016CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1qwn n LEU 1017N 0.00 0.58 -3.85 4.37 4.77 -1.26 -4.82 117.00 116.78 1qwn n LEU 1017Ca 0.00 0.18 -0.16 0.00 -0.03 0.00 0.00 56.01 56.01 1qwn n LEU 1017Cb 0.22 -0.23 -0.15 0.00 -2.33 0.00 0.00 43.42 40.93 1qwn n LEU 1017CO 0.00 0.01 -0.37 -1.58 -1.33 0.00 0.00 177.39 174.11 1qwn s GLN 1018N -3.10 0.24 -0.02 3.23 0.74 -1.26 -5.01 119.66 114.47 1qwn s GLN 1018Ca 0.09 0.02 -0.27 0.00 0.05 0.00 0.00 55.36 55.25 1qwn s GLN 1018Cb 0.15 -0.35 -0.04 0.00 1.10 0.00 0.00 33.01 33.87 1qwn s GLN 1018CO 0.70 -0.06 0.84 -0.80 -0.55 0.00 0.00 175.29 175.41 1qwn s ASN 1019N 0.60 7.19 -0.09 6.67 0.01 -1.26 -1.61 114.94 126.46 1qwn s ASN 1019Ca -0.06 1.44 0.10 0.00 -0.71 0.00 0.00 52.86 53.62 1qwn s ASN 1019Cb -0.09 -2.49 -0.13 0.00 0.41 0.00 0.00 41.25 38.95 1qwn s ASN 1019CO -0.01 -0.17 0.07 0.18 -1.51 0.00 0.00 177.10 175.66 1qwn n LEU 1020N 3.73 0.00 -3.68 0.60 4.77 0.12 -4.96 117.00 117.59 1qwn n LEU 1020Ca 0.02 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.89 1qwn n LEU 1020Cb 0.51 0.22 -0.09 0.00 -2.33 0.00 0.00 43.42 41.73 1qwn n LEU 1020CO 0.49 0.22 0.22 -0.70 -1.33 0.00 0.00 177.39 176.30 1qwn s GLU 1021N -2.33 0.60 -0.25 3.23 2.12 -1.03 -4.97 118.70 116.08 1qwn s GLU 1021Ca -0.05 0.88 -0.18 0.00 0.36 0.00 0.00 54.97 55.98 1qwn s GLU 1021Cb 0.04 0.20 -0.03 0.00 0.26 0.00 0.00 34.13 34.60 1qwn s GLU 1021CO 0.43 -0.11 0.51 -1.58 -0.54 0.00 0.00 175.26 173.97 1qwn s HIS 1022N 0.84 3.29 -0.12 5.30 5.65 -1.26 -0.96 115.29 128.04 1qwn s HIS 1022Ca -0.04 0.67 -0.17 0.00 0.25 0.00 0.00 55.06 55.76 1qwn s HIS 1022Cb -0.05 -2.71 -0.04 0.00 -1.18 0.00 0.00 32.58 28.60 1qwn s HIS 1022CO -0.07 -0.24 0.45 -0.51 -0.65 0.00 0.00 174.74 173.72 1qwn s LEU 1023N 2.15 4.28 0.35 8.88 1.43 -0.16 -4.99 118.68 130.62 1qwn s LEU 1023Ca 0.22 0.79 -0.29 0.00 -1.03 0.00 0.00 54.13 53.82 1qwn s LEU 1023Cb -0.16 -2.65 -0.11 0.00 0.03 0.00 0.00 46.19 43.30 1qwn s LEU 1023CO 0.09 0.03 1.53 0.47 0.23 0.00 0.00 176.35 178.71 1qwn n ASP 1024N 3.54 3.83 -0.08 2.29 8.00 -1.26 -2.00 116.55 130.87 1qwn n ASP 1024Ca -0.08 1.20 -0.01 0.00 0.71 0.00 0.00 54.79 56.61 1qwn n ASP 1024Cb 0.52 -1.61 -0.00 0.00 -0.02 0.00 0.00 41.12 40.00 1qwn n ASP 1024CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1qwn n GLY 1025N 1.11 0.22 2.68 0.44 0.00 -1.26 -2.44 105.19 105.95 1qwn n GLY 1025Ca 0.04 -0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 1qwn n GLY 1025CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1qwn n MET 1026N -0.18 -3.09 -4.27 1.61 2.81 -0.85 -4.98 117.12 108.18 1qwn n MET 1026Ca -0.01 0.94 -0.34 0.00 -1.81 0.00 0.00 57.70 56.48 1qwn n MET 1026Cb 0.38 -5.69 -0.11 0.00 -0.71 0.00 0.00 33.22 27.09 1qwn n MET 1026CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1qwn s VAL 1027N -3.08 4.27 -0.37 2.03 1.01 -1.02 -4.62 120.40 118.61 1qwn s VAL 1027Ca 0.14 -0.23 -0.15 0.00 0.00 0.00 0.00 61.98 61.73 1qwn s VAL 1027Cb -0.06 -2.87 0.00 0.00 0.00 0.00 0.00 36.38 33.44 1qwn s VAL 1027CO 0.17 0.51 0.36 0.00 0.00 0.00 0.00 175.10 176.13 1qwn s ALA 1028N 0.11 3.48 0.50 5.51 0.00 -1.26 -4.68 121.76 125.41 1qwn s ALA 1028Ca 0.02 -1.37 -0.21 0.00 0.00 0.00 0.00 51.96 50.39 1qwn s ALA 1028Cb -0.13 -2.87 -0.07 0.00 0.00 0.00 0.00 23.12 20.05 1qwn s ALA 1028CO 0.02 -1.24 1.13 -2.14 0.00 0.00 0.00 175.76 173.53 1qwn s PRO 1029N 1.97 3.59 0.80 0.00 0.02 -1.26 -4.46 135.00 135.66 1qwn s PRO 1029Ca 0.10 1.65 -0.11 0.00 0.02 0.00 0.00 61.00 62.66 1qwn s PRO 1029Cb -0.17 -2.20 0.07 0.00 0.02 0.00 0.00 34.50 32.23 1qwn s PRO 1029CO 0.12 -0.66 1.09 -1.21 -0.33 0.00 0.00 177.00 176.01 1qwn s GLU 1030N -3.01 2.05 0.38 5.54 2.02 -1.26 -5.03 118.70 119.38 1qwn s GLU 1030Ca 0.68 1.05 0.04 0.00 0.02 0.00 0.00 54.97 56.76 1qwn s GLU 1030Cb -0.25 -1.88 -0.01 0.00 0.10 0.00 0.00 34.13 32.09 1qwn s GLU 1030CO 0.29 -1.76 0.55 0.14 0.02 0.00 0.00 175.26 174.51 1qwn s VAL 1031N -2.93 4.13 0.65 2.63 -7.23 -1.26 -5.11 120.40 111.28 1qwn s VAL 1031Ca 0.61 -0.78 -0.10 0.00 -1.81 0.00 0.00 61.98 59.90 1qwn s VAL 1031Cb -0.17 -3.47 -0.01 0.00 0.56 0.00 0.00 36.38 33.29 1qwn s VAL 1031CO 0.56 -0.25 1.03 0.00 -0.31 0.00 0.00 175.10 176.13 1qwn n PRO 1033N -2.82 2.23 -0.94 0.00 -0.02 -1.26 -1.34 135.00 130.85 1qwn n PRO 1033Ca 0.06 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1qwn n PRO 1033Cb 0.56 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.54 1qwn n PRO 1033CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 1qwn n MET 1034N 2.23 -0.53 -3.96 -0.52 2.81 0.97 -4.92 117.12 113.19 1qwn n MET 1034Ca 0.11 0.13 -0.24 0.00 -1.81 0.00 0.00 57.70 55.90 1qwn n MET 1034Cb 0.33 -3.62 -0.03 0.00 -0.71 0.00 0.00 33.22 29.19 1qwn n MET 1034CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1qwn s GLU 1035N -0.66 3.42 -0.03 0.03 0.41 -0.45 -4.93 118.70 116.49 1qwn s GLU 1035Ca 0.00 -0.68 0.01 0.00 -0.41 0.00 0.00 54.97 53.89 1qwn s GLU 1035Cb 0.00 -2.92 0.02 0.00 -1.78 0.00 0.00 34.13 29.45 1qwn s GLU 1035CO 0.00 0.48 -0.03 0.99 -0.49 0.00 0.00 175.26 176.21 1qwn s THR 1036N -1.84 0.43 0.13 3.63 2.01 -1.26 -1.73 115.64 117.00 1qwn s THR 1036Ca 0.34 -0.08 0.03 0.00 0.31 0.00 0.00 61.69 62.29 1qwn s THR 1036Cb -0.10 -0.46 -0.04 0.00 0.01 0.00 0.00 72.50 71.91 1qwn s THR 1036CO 0.29 0.19 -0.08 0.00 -0.69 0.00 0.00 174.62 174.33 1qwn s ALA 1037N 0.79 1.24 0.04 7.40 0.00 -0.41 -4.99 121.76 125.84 1qwn s ALA 1037Ca -0.10 -1.44 0.07 0.00 0.00 0.00 0.00 51.96 50.50 1qwn s ALA 1037Cb -0.13 0.13 -0.02 0.00 0.00 0.00 0.00 23.12 23.10 1qwn s ALA 1037CO -0.00 -0.17 -0.21 0.00 0.00 0.00 0.00 175.76 175.37 1qwn s ALA 1038N -3.48 1.78 0.03 0.00 0.00 -1.25 -0.57 121.76 118.26 1qwn s ALA 1038Ca 0.15 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 51.07 1qwn s ALA 1038Cb 0.04 -0.36 -0.02 0.00 0.00 0.00 0.00 23.12 22.79 1qwn s ALA 1038CO -0.01 0.40 -0.06 0.71 0.00 0.00 0.00 175.76 176.80 1qwn s TYR 1039N -0.78 0.54 -0.10 0.00 1.51 0.07 -1.07 117.35 117.51 1qwn s TYR 1039Ca 0.08 -0.41 0.01 0.00 -1.01 0.00 0.00 57.07 55.74 1qwn s TYR 1039Cb -0.09 -0.33 0.02 0.00 -0.11 0.00 0.00 41.96 41.45 1qwn s TYR 1039CO 0.02 -0.09 -0.14 0.08 -1.11 0.00 0.00 175.55 174.31 1qwn s VAL 1040N -1.12 1.40 -0.09 0.71 1.01 0.08 -0.32 120.40 122.07 1qwn s VAL 1040Ca -0.09 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 61.26 1qwn s VAL 1040Cb -0.08 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 1qwn s VAL 1040CO 0.00 0.42 0.14 -0.94 0.00 0.00 0.00 175.10 174.72 1qwn s SER 1041N 1.04 6.26 -0.06 3.32 1.04 -0.08 -1.16 113.70 124.06 1qwn s SER 1041Ca -0.06 0.40 0.03 0.00 0.48 0.00 0.00 55.95 56.80 1qwn s SER 1041Cb -0.15 -1.99 -0.02 0.00 0.10 0.00 0.00 66.02 63.96 1qwn s SER 1041CO -0.02 0.37 -0.14 -0.44 0.98 0.00 0.00 173.24 173.99 1qwn s SER 1042N -1.27 4.04 -0.04 7.02 0.01 0.05 -1.02 113.70 122.50 1qwn s SER 1042Ca 0.18 -0.20 0.02 0.00 1.31 0.00 0.00 55.95 57.26 1qwn s SER 1042Cb -0.12 -0.94 0.01 0.00 0.21 0.00 0.00 66.02 65.18 1qwn s SER 1042CO 0.08 0.33 -0.09 -1.00 0.41 0.00 0.00 173.24 172.97 1qwn s HIS 1043N -0.62 1.04 -2.24 2.43 3.76 0.50 -0.05 115.29 120.11 1qwn s HIS 1043Ca 0.09 -0.31 0.30 0.00 -0.15 0.00 0.00 55.06 54.99 1qwn s HIS 1043Cb -0.11 -0.79 1.49 0.00 1.11 0.00 0.00 32.58 34.29 1qwn s HIS 1043CO 0.01 -0.17 2.00 -1.13 -0.85 0.00 0.00 174.74 174.59