#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cv5 s GLN 32 N -0.58 3.96 -0.35 0.00 -0.21 -1.26 -4.99 119.66 116.24 3cv5 s GLN 32 Ca 0.51 2.41 -0.28 0.00 0.02 0.00 0.00 55.36 58.03 3cv5 s GLN 32 Cb -0.34 -2.84 0.02 0.00 1.00 0.00 0.00 33.01 30.86 3cv5 s GLN 32 CO 0.39 -0.59 1.01 0.34 -2.12 0.00 0.00 175.29 174.33 3cv5 s ASP 33 N -0.41 6.81 0.00 5.90 -1.08 -1.26 -4.86 116.67 121.77 3cv5 s ASP 33 Ca 0.56 0.83 0.24 0.00 -0.52 0.00 0.00 52.55 53.66 3cv5 s ASP 33 Cb -0.43 -2.51 0.79 0.00 -1.46 0.00 0.00 42.92 39.31 3cv5 s ASP 33 CO 0.57 -0.89 1.59 1.33 0.52 0.00 0.00 175.17 178.29 3cv5 n VAL 34 N 5.96 0.13 -0.08 1.11 0.24 -1.26 -4.38 118.33 120.05 3cv5 n VAL 34 Ca 0.10 -0.36 -0.14 0.00 -2.04 0.00 0.00 64.34 61.91 3cv5 n VAL 34 Cb 0.48 0.58 -0.06 0.00 -1.47 0.00 0.00 33.84 33.37 3cv5 n VAL 34 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 3cv5 n VAL 35 N 0.46 0.88 0.92 3.34 0.31 -1.26 -4.86 118.33 118.11 3cv5 n VAL 35 Ca 0.17 -0.28 0.10 0.00 -0.01 0.00 0.00 64.34 64.32 3cv5 n VAL 35 Cb 0.39 -1.35 -0.12 0.00 -0.91 0.00 0.00 33.84 31.86 3cv5 n VAL 35 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3cv5 n GLN 36 N -3.30 0.38 -3.96 5.55 6.02 -1.26 -4.21 117.38 116.60 3cv5 n GLN 36 Ca -0.29 -0.01 -0.34 0.00 -0.01 0.00 0.00 57.00 56.35 3cv5 n GLN 36 Cb 0.76 -1.45 -0.14 0.00 1.02 0.00 0.00 30.24 30.43 3cv5 n GLN 36 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3cv5 s ASP 37 N -2.94 4.51 -0.27 1.08 1.01 -1.26 -4.90 116.67 113.90 3cv5 s ASP 37 Ca 0.07 -1.08 -0.29 0.00 0.71 0.00 0.00 52.55 51.96 3cv5 s ASP 37 Cb 0.15 -1.66 0.01 0.00 1.01 0.00 0.00 42.92 42.43 3cv5 s ASP 37 CO 0.83 -0.18 1.07 -0.69 0.21 0.00 0.00 175.17 176.40 3cv5 s VAL 38 N 1.27 4.58 0.42 -1.27 1.01 -1.26 -4.75 120.40 120.40 3cv5 s VAL 38 Ca -0.03 1.86 -0.26 0.00 0.00 0.00 0.00 61.98 63.55 3cv5 s VAL 38 Cb -0.18 -4.36 -0.09 0.00 0.00 0.00 0.00 36.38 31.75 3cv5 s VAL 38 CO -0.03 -0.33 1.45 -2.84 0.00 0.00 0.00 175.10 173.34 3cv5 s PRO 39 N 3.45 3.85 -0.41 2.72 0.02 -1.26 -4.96 135.00 138.41 3cv5 s PRO 39 Ca 0.45 2.47 -0.18 0.00 0.02 0.00 0.00 61.00 63.76 3cv5 s PRO 39 Cb -0.14 -2.78 0.02 0.00 0.02 0.00 0.00 34.50 31.62 3cv5 s PRO 39 CO 0.11 -0.70 0.49 -0.80 -0.33 0.00 0.00 177.00 175.77 3cv5 s ASN 40 N -0.38 6.24 0.15 2.53 0.01 -1.26 -5.05 114.94 117.18 3cv5 s ASN 40 Ca 0.58 -0.47 0.08 0.00 -0.71 0.00 0.00 52.86 52.34 3cv5 s ASN 40 Cb -0.45 -2.25 -0.04 0.00 0.41 0.00 0.00 41.25 38.92 3cv5 s ASN 40 CO 0.59 -0.60 -0.17 0.68 -1.51 0.00 0.00 177.10 176.09 3cv5 s VAL 41 N 2.34 1.68 0.19 1.60 -7.23 -1.26 -5.05 120.40 112.67 3cv5 s VAL 41 Ca 0.16 -1.86 -0.07 0.00 -1.81 0.00 0.00 61.98 58.39 3cv5 s VAL 41 Cb -0.16 -1.75 0.06 0.00 0.56 0.00 0.00 36.38 35.08 3cv5 s VAL 41 CO 0.15 -0.34 1.64 0.44 -0.31 0.00 0.00 175.10 176.68 3cv5 h ASP 42 N 3.33 0.97 -3.21 4.85 3.32 -1.83 -3.42 116.42 120.43 3cv5 h ASP 42 Ca -0.42 -0.30 -0.50 0.00 0.02 0.00 0.00 57.03 55.83 3cv5 h ASP 42 Cb 1.20 -0.26 -0.37 0.00 0.22 0.00 0.00 39.33 40.12 3cv5 h ASP 42 CO 0.51 1.06 -0.79 -0.69 -1.72 0.00 0.00 179.24 177.61 3cv5 s VAL 43 N -4.90 0.87 -0.18 -1.35 1.01 -0.64 -4.99 120.40 110.23 3cv5 s VAL 43 Ca -0.11 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 61.68 3cv5 s VAL 43 Cb 0.13 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 35.61 3cv5 s VAL 43 CO 0.85 0.34 -0.18 -1.58 0.00 0.00 0.00 175.10 174.53 3cv5 s GLN 44 N 1.70 3.05 0.36 2.72 -0.44 -1.26 -1.50 119.66 124.28 3cv5 s GLN 44 Ca 0.04 -0.81 0.13 0.00 -2.50 0.00 0.00 55.36 52.22 3cv5 s GLN 44 Cb -0.13 -2.60 0.67 0.00 -1.64 0.00 0.00 33.01 29.31 3cv5 s GLN 44 CO -0.07 -0.16 1.79 0.52 0.50 0.00 0.00 175.29 177.87 3cv5 h MET 45 N 7.81 0.00 -0.57 1.67 2.86 -1.50 0.64 114.93 125.84 3cv5 h MET 45 Ca -0.42 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.14 3cv5 h MET 45 Cb 1.15 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.79 3cv5 h MET 45 CO 0.62 0.41 0.06 1.25 1.06 0.00 0.00 176.91 180.31 3cv5 h LEU 46 N 0.00 0.93 -0.33 1.22 5.85 -1.93 -0.28 115.31 120.77 3cv5 h LEU 46 Ca -0.00 -0.28 -0.11 0.00 0.84 0.00 0.00 57.88 58.33 3cv5 h LEU 46 Cb 0.74 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 3cv5 h LEU 46 CO 0.05 0.98 -0.22 -0.08 -0.34 0.00 0.00 178.44 178.83 3cv5 h GLU 47 N 0.85 0.74 -0.35 1.25 4.22 -1.67 -2.00 114.58 117.63 3cv5 h GLU 47 Ca 0.17 -0.35 0.03 0.00 0.08 0.00 0.00 59.36 59.29 3cv5 h GLU 47 Cb 0.47 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.68 3cv5 h GLU 47 CO 0.02 0.97 0.15 1.25 -2.18 0.00 0.00 179.01 179.21 3cv5 h LEU 48 N 0.51 0.19 -1.29 1.64 5.85 -0.83 -1.99 115.31 119.39 3cv5 h LEU 48 Ca 0.07 0.03 0.11 0.00 0.84 0.00 0.00 57.88 58.92 3cv5 h LEU 48 Cb 0.78 -0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.75 3cv5 h LEU 48 CO 0.06 0.15 0.55 1.88 -0.34 0.00 0.00 178.44 180.74 3cv5 h TYR 49 N 0.31 0.84 -0.31 1.25 -1.99 -0.81 -0.33 116.97 115.93 3cv5 h TYR 49 Ca 0.15 0.02 -0.10 0.00 2.00 0.00 0.00 58.73 60.81 3cv5 h TYR 49 Cb 0.10 -0.27 -0.01 0.00 2.00 0.00 0.00 36.73 38.54 3cv5 h TYR 49 CO -0.12 0.37 -0.22 0.22 -0.00 0.00 0.00 178.16 178.42 3cv5 h ASP 50 N 0.77 0.59 0.43 3.88 3.58 -0.61 -3.22 116.42 121.85 3cv5 h ASP 50 Ca 0.40 -0.20 -0.06 0.00 0.42 0.00 0.00 57.03 57.59 3cv5 h ASP 50 Cb 0.49 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 3cv5 h ASP 50 CO -0.16 0.81 -1.63 -2.11 -2.88 0.00 0.00 179.24 173.27 3cv5 n ARG 51 N -4.13 0.64 -2.21 0.28 1.85 -0.80 -4.96 116.66 107.33 3cv5 n ARG 51 Ca 0.00 -0.01 -0.36 0.00 -1.00 0.00 0.00 57.85 56.48 3cv5 n ARG 51 Cb 0.40 -1.66 0.00 0.00 -1.05 0.00 0.00 32.46 30.15 3cv5 n ARG 51 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 3cv5 s MET 52 N -3.28 3.42 0.01 2.89 -1.94 -0.20 -4.98 119.30 115.22 3cv5 s MET 52 Ca -0.05 1.71 0.22 0.00 -1.71 0.00 0.00 55.69 55.86 3cv5 s MET 52 Cb 0.11 -2.12 -0.21 0.00 2.01 0.00 0.00 34.83 34.62 3cv5 s MET 52 CO 0.85 -0.82 0.73 -1.13 -0.01 0.00 0.00 175.02 174.64 3cv5 n SER 53 N -1.09 0.41 -1.73 3.03 3.41 -1.26 -4.98 113.62 111.41 3cv5 n SER 53 Ca 0.11 -0.23 -0.18 0.00 -0.26 0.00 0.00 58.87 58.30 3cv5 n SER 53 Cb 0.50 1.41 -0.04 0.00 -0.26 0.00 0.00 64.21 65.82 3cv5 n SER 53 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 3cv5 n PHE 54 N -2.07 -0.45 -2.20 7.33 3.01 -1.26 -4.94 117.46 116.88 3cv5 n PHE 54 Ca -0.01 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.04 3cv5 n PHE 54 Cb 0.49 -3.33 -0.03 0.00 -0.01 0.00 0.00 39.48 36.61 3cv5 n PHE 54 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3cv5 s LYS 55 N -4.25 4.40 -1.10 -1.08 -0.14 -1.26 -4.94 119.74 111.37 3cv5 s LYS 55 Ca 0.00 2.09 -0.07 0.00 -1.36 0.00 0.00 55.97 56.63 3cv5 s LYS 55 Cb 0.00 -3.15 0.29 0.00 -1.68 0.00 0.00 37.83 33.29 3cv5 s LYS 55 CO 0.00 -0.18 1.25 -3.47 -0.76 0.00 0.00 175.35 172.19 3cv5 n ASP 56 N 1.81 5.86 -4.92 2.83 2.03 -1.26 -5.01 116.55 117.89 3cv5 n ASP 56 Ca 0.03 -3.18 -0.31 0.00 0.52 0.00 0.00 54.79 51.86 3cv5 n ASP 56 Cb 0.42 -1.34 -0.04 0.00 -0.72 0.00 0.00 41.12 39.45 3cv5 n ASP 56 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 3cv5 s ILE 57 N -1.86 5.33 -0.31 5.18 -4.36 -1.26 -5.02 121.20 118.89 3cv5 s ILE 57 Ca 0.31 -0.33 -0.28 0.00 -0.26 0.00 0.00 60.65 60.09 3cv5 s ILE 57 Cb -0.04 -3.64 -0.02 0.00 1.25 0.00 0.00 42.46 40.00 3cv5 s ILE 57 CO -0.01 0.09 1.77 -0.62 0.24 0.00 0.00 174.94 176.40 3cv5 s ASP 58 N -2.58 5.98 0.00 4.36 -1.08 -1.26 -4.60 116.67 117.48 3cv5 s ASP 58 Ca 0.36 1.35 0.22 0.00 -0.52 0.00 0.00 52.55 53.97 3cv5 s ASP 58 Cb -0.13 -2.53 0.88 0.00 -1.46 0.00 0.00 42.92 39.69 3cv5 s ASP 58 CO 0.27 -1.63 1.62 0.61 0.52 0.00 0.00 175.17 176.56 3cv5 n GLY 59 N 5.31 0.04 0.00 2.66 0.00 0.39 -5.02 105.19 108.58 3cv5 n GLY 59 Ca 0.22 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3cv5 n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cv5 n GLY 60 N 1.09 0.58 0.30 -0.02 0.00 -1.26 -3.79 105.19 102.09 3cv5 n GLY 60 Ca 0.17 -1.75 0.02 0.00 0.00 0.00 0.00 46.02 44.46 3cv5 n GLY 60 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3cv5 h VAL 61 N 0.00 1.14 -2.60 1.61 -1.51 -1.93 -3.02 116.25 109.94 3cv5 h VAL 61 Ca 0.00 -0.39 -0.68 0.00 -1.23 0.00 0.00 66.70 64.40 3cv5 h VAL 61 Cb 0.00 0.58 -0.17 0.00 -2.13 0.00 0.00 31.29 29.57 3cv5 h VAL 61 CO 0.00 0.16 0.62 0.86 -1.23 0.00 0.00 177.57 177.99 3cv5 s TRP 62 N -5.38 3.00 0.43 5.19 -0.00 -1.21 -4.49 118.94 116.48 3cv5 s TRP 62 Ca -0.08 -1.12 0.11 0.00 -0.00 0.00 0.00 56.10 55.00 3cv5 s TRP 62 Cb 0.17 -4.23 0.97 0.00 -0.00 0.00 0.00 33.47 30.38 3cv5 s TRP 62 CO 0.75 -1.49 2.03 0.87 -0.00 0.00 0.00 176.95 179.11 3cv5 h LYS 63 N 9.04 0.44 -0.36 5.86 1.79 -1.81 -1.83 116.57 129.70 3cv5 h LYS 63 Ca -0.03 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 3cv5 h LYS 63 Cb 1.05 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.60 3cv5 h LYS 63 CO 1.11 0.29 0.00 1.04 -1.08 0.00 0.00 179.45 180.81 3cv5 n GLN 64 N -4.48 2.97 0.00 3.15 6.02 -1.26 -0.46 117.38 123.32 3cv5 n GLN 64 Ca 0.06 -2.38 0.00 0.00 -0.01 0.00 0.00 57.00 54.66 3cv5 n GLN 64 Cb 0.21 -1.51 0.00 0.00 1.02 0.00 0.00 30.24 29.96 3cv5 n GLN 64 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3cv5 n GLY 65 N 0.29 2.65 3.65 1.08 0.00 -0.69 -4.67 105.19 107.50 3cv5 n GLY 65 Ca 0.16 -0.16 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 3cv5 n GLY 65 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 3cv5 s TRP 66 N 3.75 0.40 -0.56 1.61 -2.14 -1.26 -4.19 118.94 116.56 3cv5 s TRP 66 Ca 0.00 -0.81 -0.28 0.00 2.66 0.00 0.00 56.10 57.67 3cv5 s TRP 66 Cb 0.00 0.33 0.02 0.00 -3.10 0.00 0.00 33.47 30.72 3cv5 s TRP 66 CO 0.00 -1.18 1.30 -0.80 -2.66 0.00 0.00 176.95 173.61 3cv5 s ASN 67 N -3.07 6.31 0.22 -2.66 0.01 -1.25 -4.70 114.94 109.81 3cv5 s ASN 67 Ca 0.21 0.22 -0.30 0.00 -0.71 0.00 0.00 52.86 52.29 3cv5 s ASN 67 Cb -0.02 -2.55 -0.09 0.00 0.41 0.00 0.00 41.25 39.00 3cv5 s ASN 67 CO 0.12 -1.57 1.16 -0.63 -1.51 0.00 0.00 177.10 174.67 3cv5 s ILE 68 N 5.44 3.53 0.11 0.60 1.01 -1.26 -5.03 121.20 125.59 3cv5 s ILE 68 Ca 0.48 1.37 0.09 0.00 0.00 0.00 0.00 60.65 62.59 3cv5 s ILE 68 Cb -0.09 -3.87 -0.04 0.00 0.01 0.00 0.00 42.46 38.47 3cv5 s ILE 68 CO 0.26 0.26 -0.19 -0.54 0.00 0.00 0.00 174.94 174.72 3cv5 s LYS 69 N -0.67 1.78 0.04 2.79 1.02 -1.26 -4.98 119.74 118.46 3cv5 s LYS 69 Ca 0.50 -1.17 -0.01 0.00 0.02 0.00 0.00 55.97 55.31 3cv5 s LYS 69 Cb -0.32 -2.10 -0.03 0.00 -0.52 0.00 0.00 37.83 34.86 3cv5 s LYS 69 CO 0.39 0.49 -0.02 1.52 -0.92 0.00 0.00 175.35 176.80 3cv5 s TYR 70 N -1.10 0.41 -0.31 3.18 -0.85 -1.26 -4.98 117.35 112.44 3cv5 s TYR 70 Ca 0.17 -0.85 -0.22 0.00 -0.52 0.00 0.00 57.07 55.65 3cv5 s TYR 70 Cb -0.10 -0.31 -0.00 0.00 0.38 0.00 0.00 41.96 41.93 3cv5 s TYR 70 CO 0.09 -0.31 0.70 0.34 -1.52 0.00 0.00 175.55 174.85 3cv5 s ASP 71 N -2.35 6.55 0.64 -0.18 -1.08 -1.26 -4.95 116.67 114.04 3cv5 s ASP 71 Ca -0.02 0.49 0.38 0.00 -0.52 0.00 0.00 52.55 52.87 3cv5 s ASP 71 Cb 0.01 -2.36 2.13 0.00 -1.46 0.00 0.00 42.92 41.24 3cv5 s ASP 71 CO -0.07 -0.55 2.30 -0.65 0.52 0.00 0.00 175.17 176.72 3cv5 h PRO 72 N 8.20 0.00 -0.00 4.34 0.11 -2.00 -1.33 132.00 141.32 3cv5 h PRO 72 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3cv5 h PRO 72 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3cv5 h PRO 72 CO 0.84 0.00 -0.05 1.28 -0.21 0.00 0.00 178.00 179.87 3cv5 n LEU 73 N -3.41 0.35 -0.37 2.35 4.77 -1.26 -3.86 117.00 115.57 3cv5 n LEU 73 Ca -0.03 0.01 0.01 0.00 -0.03 0.00 0.00 56.01 55.97 3cv5 n LEU 73 Cb 0.10 -0.13 0.15 0.00 -2.33 0.00 0.00 43.42 41.22 3cv5 n LEU 73 CO 0.23 0.06 1.27 0.50 -1.33 0.00 0.00 177.39 178.12 3cv5 h LYS 74 N 0.48 1.19 -5.82 3.23 3.64 -1.66 -3.41 116.57 114.22 3cv5 h LYS 74 Ca 0.00 -0.07 -0.67 0.00 -1.27 0.00 0.00 60.65 58.63 3cv5 h LYS 74 Cb 0.26 -0.27 -0.12 0.00 -0.41 0.00 0.00 32.23 31.69 3cv5 h LYS 74 CO 0.00 0.79 -0.57 0.71 -2.27 0.00 0.00 179.45 178.11 3cv5 s TYR 75 N -6.06 3.32 0.16 1.91 2.02 -1.25 -4.95 117.35 112.50 3cv5 s TYR 75 Ca -0.13 0.31 -0.03 0.00 -0.37 0.00 0.00 57.07 56.85 3cv5 s TYR 75 Cb 0.19 -1.86 0.01 0.00 -0.40 0.00 0.00 41.96 39.91 3cv5 s TYR 75 CO 0.81 0.55 0.26 0.27 -1.57 0.00 0.00 175.55 175.88 3cv5 n ASN 76 N 2.15 -0.75 0.22 2.29 0.23 -0.43 -4.91 115.26 114.05 3cv5 n ASN 76 Ca -0.19 -1.75 0.12 0.00 -0.53 0.00 0.00 54.58 52.23 3cv5 n ASN 76 Cb 0.54 1.32 0.71 0.00 -2.08 0.00 0.00 39.78 40.27 3cv5 n ASN 76 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3cv5 h ALA 77 N 1.82 1.99 -0.53 -2.53 0.00 -1.95 -0.90 119.26 117.17 3cv5 h ALA 77 Ca -0.13 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3cv5 h ALA 77 Cb 0.51 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3cv5 h ALA 77 CO 0.17 -0.14 0.00 0.72 0.00 0.00 0.00 179.25 179.99 3cv5 n HIS 78 N -4.32 1.10 -2.99 0.00 8.25 -1.26 -4.67 115.22 111.32 3cv5 n HIS 78 Ca -0.00 -0.61 -0.01 0.00 -0.26 0.00 0.00 57.72 56.83 3cv5 n HIS 78 Cb 0.20 -0.17 -0.00 0.00 1.12 0.00 0.00 29.99 31.14 3cv5 n HIS 78 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 3cv5 s HIS 79 N -1.69 -1.61 0.31 4.41 5.04 -0.34 -5.16 115.29 116.25 3cv5 s HIS 79 Ca 0.43 -0.10 0.00 0.00 -1.54 0.00 0.00 55.06 53.85 3cv5 s HIS 79 Cb 0.27 0.31 -0.04 0.00 0.04 0.00 0.00 32.58 33.16 3cv5 s HIS 79 CO 0.21 -1.17 0.51 0.15 -2.34 0.00 0.00 174.74 172.10 3cv5 s LYS 80 N 1.42 3.50 -0.22 2.88 1.02 -1.21 -1.32 119.74 125.81 3cv5 s LYS 80 Ca 0.22 -0.34 -0.23 0.00 0.02 0.00 0.00 55.97 55.63 3cv5 s LYS 80 Cb -0.02 -2.71 -0.01 0.00 -0.52 0.00 0.00 37.83 34.57 3cv5 s LYS 80 CO -0.07 0.21 0.75 -1.17 -0.92 0.00 0.00 175.35 174.16 3cv5 s LEU 81 N -4.08 4.11 -0.29 3.17 2.96 -0.10 -4.87 118.68 119.58 3cv5 s LEU 81 Ca 0.40 0.96 -0.13 0.00 -0.22 0.00 0.00 54.13 55.14 3cv5 s LEU 81 Cb -0.10 -3.07 -0.04 0.00 0.50 0.00 0.00 46.19 43.48 3cv5 s LEU 81 CO 0.34 -0.41 0.28 -0.75 -1.32 0.00 0.00 176.35 174.49 3cv5 s LYS 82 N 2.42 3.89 -0.19 1.98 2.36 0.73 -1.18 119.74 129.75 3cv5 s LYS 82 Ca 0.33 -0.23 -0.02 0.00 -2.55 0.00 0.00 55.97 53.49 3cv5 s LYS 82 Cb -0.16 -3.69 -0.00 0.00 -1.05 0.00 0.00 37.83 32.93 3cv5 s LYS 82 CO 0.09 -0.27 -0.09 0.08 1.55 0.00 0.00 175.35 176.71 3cv5 s VAL 83 N 1.89 3.05 -0.28 4.02 1.01 -0.19 -0.26 120.40 129.64 3cv5 s VAL 83 Ca 0.10 -0.62 -0.08 0.00 0.00 0.00 0.00 61.98 61.39 3cv5 s VAL 83 Cb -0.16 -2.35 -0.01 0.00 0.00 0.00 0.00 36.38 33.87 3cv5 s VAL 83 CO 0.11 0.47 0.09 -0.36 0.00 0.00 0.00 175.10 175.41 3cv5 s PHE 84 N 1.18 3.13 -0.31 5.22 0.08 -0.25 -1.35 117.98 125.68 3cv5 s PHE 84 Ca 0.02 -0.70 -0.15 0.00 0.12 0.00 0.00 56.93 56.21 3cv5 s PHE 84 Cb -0.14 -2.27 -0.02 0.00 -0.57 0.00 0.00 43.02 40.02 3cv5 s PHE 84 CO -0.03 -0.48 0.39 0.08 -0.10 0.00 0.00 175.22 175.08 3cv5 s VAL 85 N 1.56 5.15 -0.39 -0.44 1.01 0.16 -0.92 120.40 126.53 3cv5 s VAL 85 Ca 0.04 0.30 -0.02 0.00 0.00 0.00 0.00 61.98 62.30 3cv5 s VAL 85 Cb -0.16 -3.79 0.10 0.00 0.00 0.00 0.00 36.38 32.53 3cv5 s VAL 85 CO 0.03 -0.01 0.18 -0.69 0.00 0.00 0.00 175.10 174.61 3cv5 s VAL 86 N 2.10 3.17 0.28 2.92 1.01 0.05 -0.79 120.40 129.15 3cv5 s VAL 86 Ca 0.14 -2.04 -0.29 0.00 0.00 0.00 0.00 61.98 59.79 3cv5 s VAL 86 Cb -0.16 -3.17 -0.10 0.00 0.00 0.00 0.00 36.38 32.95 3cv5 s VAL 86 CO 0.11 -0.64 1.33 -2.84 0.00 0.00 0.00 175.10 173.06 3cv5 s PRO 87 N 1.13 4.35 0.21 2.72 0.02 -1.26 -0.55 135.00 141.61 3cv5 s PRO 87 Ca 0.08 2.19 -0.14 0.00 0.02 0.00 0.00 61.00 63.14 3cv5 s PRO 87 Cb -0.22 -3.11 0.01 0.00 0.02 0.00 0.00 34.50 31.20 3cv5 s PRO 87 CO -0.04 -0.24 0.47 -3.38 -0.33 0.00 0.00 177.00 173.47 3cv5 s HIS 88 N -0.63 0.14 -0.17 6.54 -3.43 -0.60 -1.81 115.29 115.34 3cv5 s HIS 88 Ca 0.53 -0.50 -0.04 0.00 -0.80 0.00 0.00 55.06 54.24 3cv5 s HIS 88 Cb -0.39 0.24 0.08 0.00 -1.43 0.00 0.00 32.58 31.08 3cv5 s HIS 88 CO 0.47 -0.91 0.20 0.45 -2.00 0.00 0.00 174.74 172.95 3cv5 s SER 89 N -2.94 1.21 -0.33 7.38 0.15 -1.26 -3.83 113.70 114.08 3cv5 s SER 89 Ca 0.15 -0.05 -0.28 0.00 0.70 0.00 0.00 55.95 56.47 3cv5 s SER 89 Cb -0.00 0.34 0.02 0.00 -1.71 0.00 0.00 66.02 64.67 3cv5 s SER 89 CO 0.02 -0.30 1.04 -2.28 1.20 0.00 0.00 173.24 172.91 3cv5 s HIS 90 N 2.31 3.12 -0.29 3.44 2.46 -0.57 -4.76 115.29 121.01 3cv5 s HIS 90 Ca 0.05 1.08 0.02 0.00 0.47 0.00 0.00 55.06 56.68 3cv5 s HIS 90 Cb -0.15 -3.69 0.07 0.00 -0.13 0.00 0.00 32.58 28.68 3cv5 s HIS 90 CO -0.10 -0.79 -0.05 -0.80 -2.47 0.00 0.00 174.74 170.53 3cv5 s ASN 91 N 1.73 4.61 -0.20 9.88 0.01 -1.26 -0.07 114.94 129.64 3cv5 s ASN 91 Ca 0.44 -1.54 -0.29 0.00 -0.71 0.00 0.00 52.86 50.75 3cv5 s ASN 91 Cb -0.12 -1.60 0.00 0.00 0.41 0.00 0.00 41.25 39.94 3cv5 s ASN 91 CO 0.17 -0.25 1.06 -1.81 -1.51 0.00 0.00 177.10 174.75 3cv5 s ASP 92 N 1.12 7.11 -1.14 -1.22 1.01 -1.26 -4.89 116.67 117.40 3cv5 s ASP 92 Ca -0.04 1.44 -0.11 0.00 0.71 0.00 0.00 52.55 54.55 3cv5 s ASP 92 Cb -0.20 -2.54 -0.07 0.00 1.01 0.00 0.00 42.92 41.12 3cv5 s ASP 92 CO -0.05 -0.64 2.31 -2.65 0.21 0.00 0.00 175.17 174.35 3cv5 n PRO 93 N 6.09 2.48 0.00 8.23 -0.02 -1.26 -4.59 135.00 145.93 3cv5 n PRO 93 Ca 0.12 -1.86 0.00 0.00 -2.02 0.00 0.00 63.50 59.74 3cv5 n PRO 93 Cb 0.46 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.22 3cv5 n PRO 93 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3cv5 n GLY 94 N 3.90 2.32 0.00 -1.23 0.00 -1.26 -4.54 105.19 104.38 3cv5 n GLY 94 Ca 0.55 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 45.15 3cv5 n GLY 94 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 3cv5 n TRP 95 N 2.09 0.00 0.07 1.61 -0.00 -1.26 -4.69 117.44 115.27 3cv5 n TRP 95 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.50 57.56 3cv5 n TRP 95 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 31.31 31.28 3cv5 n TRP 95 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 177.69 178.51 3cv5 h ILE 96 N 0.00 0.24 -2.60 5.87 1.08 -1.93 -0.60 117.51 119.56 3cv5 h ILE 96 Ca 0.00 -1.47 -0.50 0.00 -0.39 0.00 0.00 64.86 62.50 3cv5 h ILE 96 Cb 0.00 1.76 -0.14 0.00 -3.07 0.00 0.00 36.82 35.37 3cv5 h ILE 96 CO 0.00 0.14 -0.66 -1.10 -0.69 0.00 0.00 178.15 175.83 3cv5 s GLN 97 N -3.16 1.59 0.88 2.37 -0.21 -1.26 -4.84 119.66 115.04 3cv5 s GLN 97 Ca -0.01 -1.82 -0.12 0.00 0.02 0.00 0.00 55.36 53.42 3cv5 s GLN 97 Cb 0.09 -1.16 0.12 0.00 1.00 0.00 0.00 33.01 33.07 3cv5 s GLN 97 CO 0.80 0.00 1.10 0.95 -2.12 0.00 0.00 175.29 176.02 3cv5 s THR 98 N -3.02 2.61 0.19 -0.19 -4.23 -1.26 -4.22 115.64 105.52 3cv5 s THR 98 Ca 0.31 0.20 -0.19 0.00 -1.18 0.00 0.00 61.69 60.83 3cv5 s THR 98 Cb 0.05 -2.79 0.16 0.00 1.34 0.00 0.00 72.50 71.26 3cv5 s THR 98 CO 0.13 -0.26 1.60 0.15 -0.54 0.00 0.00 174.62 175.70 3cv5 h PHE 99 N -1.46 -0.73 -0.26 3.99 3.04 -1.89 -0.22 116.94 119.41 3cv5 h PHE 99 Ca -0.50 0.07 -0.13 0.00 3.98 0.00 0.00 57.97 61.39 3cv5 h PHE 99 Cb 1.29 0.41 -0.01 0.00 2.56 0.00 0.00 35.95 40.20 3cv5 h PHE 99 CO 0.40 -0.35 -0.37 1.49 -2.02 0.00 0.00 178.31 177.46 3cv5 h GLU 100 N -0.12 0.58 0.05 1.11 4.57 -1.97 -0.63 114.58 118.16 3cv5 h GLU 100 Ca 0.25 -0.28 -0.00 0.00 -1.18 0.00 0.00 59.36 58.15 3cv5 h GLU 100 Cb 0.53 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 3cv5 h GLU 100 CO -0.66 0.86 -0.02 0.93 -1.18 0.00 0.00 179.01 178.94 3cv5 h GLU 101 N 0.48 -0.07 -0.93 1.92 5.08 -1.84 -0.92 114.58 118.31 3cv5 h GLU 101 Ca 0.05 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3cv5 h GLU 101 Cb 0.86 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.08 3cv5 h GLU 101 CO 0.07 0.05 0.61 1.88 -1.00 0.00 0.00 179.01 180.63 3cv5 h TYR 102 N -0.17 1.15 -0.42 4.33 0.05 -0.95 -0.57 116.97 120.40 3cv5 h TYR 102 Ca -0.01 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.80 3cv5 h TYR 102 Cb 0.15 -0.39 -0.02 0.00 1.01 0.00 0.00 36.73 37.48 3cv5 h TYR 102 CO -0.04 0.70 0.27 -0.92 -1.05 0.00 0.00 178.16 177.11 3cv5 h TYR 103 N 1.22 0.53 -0.32 4.88 3.20 -0.77 0.53 116.97 126.24 3cv5 h TYR 103 Ca 0.36 0.01 -0.18 0.00 3.14 0.00 0.00 58.73 62.06 3cv5 h TYR 103 Cb -0.07 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.03 3cv5 h TYR 103 CO -0.00 0.34 -0.50 1.96 -1.64 0.00 0.00 178.16 178.32 3cv5 h GLN 104 N 0.56 0.91 0.00 1.82 1.08 -0.89 -0.17 115.11 118.42 3cv5 h GLN 104 Ca 0.15 -0.55 -0.20 0.00 -1.45 0.00 0.00 58.65 56.61 3cv5 h GLN 104 Cb -0.05 0.05 -0.03 0.00 -0.05 0.00 0.00 27.48 27.40 3cv5 h GLN 104 CO -0.03 1.19 -1.23 0.45 -0.95 0.00 0.00 178.83 178.26 3cv5 h HIS 105 N 0.71 0.00 0.00 2.96 3.86 -1.03 -3.45 115.15 118.20 3cv5 h HIS 105 Ca 0.03 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 3cv5 h HIS 105 Cb 1.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.58 3cv5 h HIS 105 CO 0.07 0.77 0.00 -0.25 0.86 0.00 0.00 177.93 179.38 3cv5 n ASP 106 N -3.10 0.14 0.04 2.45 8.00 0.05 -4.89 116.55 119.24 3cv5 n ASP 106 Ca -0.07 0.26 -0.03 0.00 0.71 0.00 0.00 54.79 55.66 3cv5 n ASP 106 Cb 0.90 0.13 0.21 0.00 -0.02 0.00 0.00 41.12 42.34 3cv5 n ASP 106 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 3cv5 h THR 107 N 0.00 1.27 -0.27 -3.53 2.02 -1.20 -1.23 112.91 109.97 3cv5 h THR 107 Ca 0.00 -1.31 -0.06 0.00 0.77 0.00 0.00 66.41 65.81 3cv5 h THR 107 Cb 0.00 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 3cv5 h THR 107 CO 0.00 0.41 -0.09 0.07 0.37 0.00 0.00 175.52 176.28 3cv5 h LYS 108 N 0.36 0.44 -0.18 6.66 2.10 -1.25 -0.95 116.57 123.75 3cv5 h LYS 108 Ca 0.05 -0.11 -0.20 0.00 -2.00 0.00 0.00 60.65 58.39 3cv5 h LYS 108 Cb 0.70 -0.06 0.01 0.00 -0.90 0.00 0.00 32.23 31.98 3cv5 h LYS 108 CO 0.05 0.54 -0.66 0.45 -2.00 0.00 0.00 179.45 177.84 3cv5 h HIS 109 N 0.42 1.01 -0.05 0.07 3.86 -1.62 -1.55 115.15 117.29 3cv5 h HIS 109 Ca 0.08 -0.42 0.02 0.00 -1.16 0.00 0.00 60.37 58.90 3cv5 h HIS 109 Cb 0.41 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.69 3cv5 h HIS 109 CO 0.01 1.24 -0.09 0.82 0.86 0.00 0.00 177.93 180.78 3cv5 h ILE 110 N 0.49 0.77 -0.51 2.45 2.04 -0.89 0.11 117.51 121.97 3cv5 h ILE 110 Ca -0.03 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.75 3cv5 h ILE 110 Cb 1.28 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 38.11 3cv5 h ILE 110 CO 0.14 0.00 -0.02 -0.07 0.00 0.00 0.00 178.15 178.20 3cv5 h LEU 111 N -0.13 0.85 -0.25 1.44 3.38 -1.23 0.14 115.31 119.51 3cv5 h LEU 111 Ca 0.05 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3cv5 h LEU 111 Cb 0.20 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 3cv5 h LEU 111 CO -0.12 0.92 0.10 0.28 0.09 0.00 0.00 178.44 179.71 3cv5 h SER 112 N 0.81 0.35 0.63 -0.43 0.02 -1.10 -0.87 113.55 112.94 3cv5 h SER 112 Ca 0.15 -0.16 -0.12 0.00 -0.84 0.00 0.00 61.79 60.81 3cv5 h SER 112 Cb 0.51 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 3cv5 h SER 112 CO 0.03 0.42 -0.58 0.78 -1.14 0.00 0.00 176.83 176.34 3cv5 h ASN 113 N 0.26 0.00 -0.46 3.07 2.35 -0.85 -2.05 115.58 117.90 3cv5 h ASN 113 Ca 0.08 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.78 3cv5 h ASN 113 Cb 0.18 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 3cv5 h ASN 113 CO -0.01 0.58 0.06 0.00 -1.65 0.00 0.00 177.43 176.41 3cv5 h ALA 114 N 1.42 0.61 -0.30 -0.83 0.00 -0.54 0.59 119.26 120.20 3cv5 h ALA 114 Ca -0.01 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.67 3cv5 h ALA 114 Cb 1.04 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 3cv5 h ALA 114 CO 0.07 0.35 0.19 1.25 0.00 0.00 0.00 179.25 181.11 3cv5 h LEU 115 N 0.63 0.32 -0.06 0.00 5.85 -0.92 -0.65 115.31 120.47 3cv5 h LEU 115 Ca 0.14 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 3cv5 h LEU 115 Cb 0.41 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 3cv5 h LEU 115 CO 0.01 0.24 -0.00 -0.09 -0.34 0.00 0.00 178.44 178.26 3cv5 h ARG 116 N 0.39 0.11 -0.46 1.25 2.43 -1.25 -1.27 114.38 115.59 3cv5 h ARG 116 Ca 0.11 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.15 3cv5 h ARG 116 Cb -0.03 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.50 3cv5 h ARG 116 CO -0.04 0.39 -0.09 1.25 -1.51 0.00 0.00 179.97 179.97 3cv5 h HIS 117 N -0.18 0.97 -0.42 2.20 2.76 -0.82 -1.21 115.15 118.46 3cv5 h HIS 117 Ca 0.02 -0.20 -0.15 0.00 -2.20 0.00 0.00 60.37 57.84 3cv5 h HIS 117 Cb 0.34 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 3cv5 h HIS 117 CO 0.03 0.96 -0.32 -0.07 -1.30 0.00 0.00 177.93 177.23 3cv5 h LEU 118 N 0.71 0.99 -0.50 0.26 3.38 -1.16 -1.87 115.31 117.12 3cv5 h LEU 118 Ca 0.12 -0.42 0.05 0.00 0.09 0.00 0.00 57.88 57.71 3cv5 h LEU 118 Cb 0.63 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 3cv5 h LEU 118 CO 0.04 1.22 0.24 -0.74 0.09 0.00 0.00 178.44 179.29 3cv5 h HIS 119 N 0.79 0.44 0.00 1.13 2.76 -0.99 -2.90 115.15 116.38 3cv5 h HIS 119 Ca 0.08 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.27 3cv5 h HIS 119 Cb 0.90 -0.12 0.00 0.00 1.55 0.00 0.00 27.41 29.74 3cv5 h HIS 119 CO 0.06 0.21 0.00 -0.25 -1.30 0.00 0.00 177.93 176.65 3cv5 n ASP 120 N -4.90 0.65 -3.62 3.26 8.00 -0.48 -4.48 116.55 114.99 3cv5 n ASP 120 Ca 0.04 0.57 -0.28 0.00 0.71 0.00 0.00 54.79 55.83 3cv5 n ASP 120 Cb 0.14 -0.74 -0.12 0.00 -0.02 0.00 0.00 41.12 40.38 3cv5 n ASP 120 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 3cv5 s ASN 121 N -4.23 3.13 0.62 -2.24 -0.87 -0.72 -5.01 114.94 105.61 3cv5 s ASN 121 Ca 0.11 -2.91 0.32 0.00 -1.57 0.00 0.00 52.86 48.81 3cv5 s ASN 121 Cb 0.13 -0.88 1.83 0.00 -0.02 0.00 0.00 41.25 42.31 3cv5 s ASN 121 CO 0.57 -0.21 2.14 -0.65 -2.57 0.00 0.00 177.10 176.38 3cv5 h PRO 122 N 6.22 0.00 0.00 -0.60 0.11 -1.79 -1.67 132.00 134.28 3cv5 h PRO 122 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3cv5 h PRO 122 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 3cv5 h PRO 122 CO 0.46 0.00 -0.43 0.39 -0.21 0.00 0.00 178.00 178.21 3cv5 n GLU 123 N -3.54 0.25 -2.53 1.05 -0.58 -1.26 -4.91 120.64 109.12 3cv5 n GLU 123 Ca -0.00 0.11 -0.34 0.00 -0.42 0.00 0.00 57.16 56.51 3cv5 n GLU 123 Cb 0.26 -1.69 -0.03 0.00 -0.57 0.00 0.00 31.44 29.40 3cv5 n GLU 123 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 3cv5 s MET 124 N -3.13 3.78 0.11 3.49 1.75 -0.63 -4.71 119.30 119.97 3cv5 s MET 124 Ca 0.08 1.36 0.01 0.00 -1.25 0.00 0.00 55.69 55.89 3cv5 s MET 124 Cb 0.14 -2.09 -0.04 0.00 2.84 0.00 0.00 34.83 35.67 3cv5 s MET 124 CO 0.68 -0.45 -0.03 0.15 -0.65 0.00 0.00 175.02 174.72 3cv5 s LYS 125 N -3.25 0.88 -0.22 4.11 -0.14 -1.26 -4.79 119.74 115.07 3cv5 s LYS 125 Ca 0.67 -1.38 -0.26 0.00 -1.36 0.00 0.00 55.97 53.65 3cv5 s LYS 125 Cb -0.16 -0.13 0.07 0.00 -1.68 0.00 0.00 37.83 35.92 3cv5 s LYS 125 CO 0.20 -0.08 0.70 0.12 -0.76 0.00 0.00 175.35 175.54 3cv5 s PHE 126 N -3.70 -0.75 0.08 3.18 5.36 -0.44 -4.35 117.98 117.36 3cv5 s PHE 126 Ca 0.15 1.75 0.06 0.00 -0.96 0.00 0.00 56.93 57.93 3cv5 s PHE 126 Cb 0.06 0.29 -0.04 0.00 -0.34 0.00 0.00 43.02 42.99 3cv5 s PHE 126 CO -0.03 -0.42 -0.08 0.96 -1.46 0.00 0.00 175.22 174.20 3cv5 s ILE 127 N 0.08 3.51 -0.04 3.12 -4.36 -0.75 -1.47 121.20 121.29 3cv5 s ILE 127 Ca -0.02 -1.13 0.02 0.00 -0.26 0.00 0.00 60.65 59.25 3cv5 s ILE 127 Cb -0.04 -2.62 0.01 0.00 1.25 0.00 0.00 42.46 41.06 3cv5 s ILE 127 CO 0.03 0.17 -0.06 0.86 0.24 0.00 0.00 174.94 176.17 3cv5 s TRP 128 N -1.18 0.82 -0.16 1.37 -0.11 -0.44 -4.37 118.94 114.86 3cv5 s TRP 128 Ca 0.21 -0.22 0.02 0.00 1.22 0.00 0.00 56.10 57.33 3cv5 s TRP 128 Cb -0.11 -0.66 -0.11 0.00 -1.50 0.00 0.00 33.47 31.09 3cv5 s TRP 128 CO 0.13 -0.15 -0.13 0.00 -4.62 0.00 0.00 176.95 172.18 3cv5 n ALA 129 N 3.71 1.65 -3.12 5.86 0.00 -1.26 -1.28 120.51 126.07 3cv5 n ALA 129 Ca -0.22 -0.71 -0.45 0.00 0.00 0.00 0.00 53.44 52.06 3cv5 n ALA 129 Cb 0.52 0.11 -0.04 0.00 0.00 0.00 0.00 19.45 20.04 3cv5 n ALA 129 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3cv5 s GLU 130 N -2.33 3.06 0.49 0.00 8.01 -1.26 -4.00 118.70 122.67 3cv5 s GLU 130 Ca -0.21 -1.36 0.28 0.00 0.01 0.00 0.00 54.97 53.70 3cv5 s GLU 130 Cb 0.06 -4.28 1.01 0.00 -4.31 0.00 0.00 34.13 26.61 3cv5 s GLU 130 CO 0.39 -1.54 1.85 0.82 0.01 0.00 0.00 175.26 176.79 3cv5 h ILE 131 N 5.91 0.21 -0.60 -1.63 1.08 -1.17 -2.69 117.51 118.62 3cv5 h ILE 131 Ca -0.28 -0.85 0.10 0.00 -0.39 0.00 0.00 64.86 63.44 3cv5 h ILE 131 Cb 1.09 1.70 -0.07 0.00 -3.07 0.00 0.00 36.82 36.46 3cv5 h ILE 131 CO 1.10 0.09 0.21 0.77 -0.69 0.00 0.00 178.15 179.62 3cv5 h SER 132 N 0.00 0.18 -0.18 1.72 4.64 -1.33 0.23 113.55 118.81 3cv5 h SER 132 Ca -0.00 0.09 -0.12 0.00 -0.47 0.00 0.00 61.79 61.28 3cv5 h SER 132 Cb 0.70 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.87 3cv5 h SER 132 CO 0.01 0.11 -0.38 1.88 -0.87 0.00 0.00 176.83 177.58 3cv5 h TYR 133 N 0.37 0.72 -0.68 4.77 0.05 -1.74 -2.40 116.97 118.06 3cv5 h TYR 133 Ca 0.31 -0.26 -0.02 0.00 0.05 0.00 0.00 58.73 58.80 3cv5 h TYR 133 Cb 0.40 -0.13 -0.03 0.00 1.01 0.00 0.00 36.73 37.98 3cv5 h TYR 133 CO -0.18 1.01 0.34 0.35 -1.05 0.00 0.00 178.16 178.63 3cv5 h PHE 134 N 0.22 0.96 -0.60 4.88 3.57 -1.07 -0.74 116.94 124.15 3cv5 h PHE 134 Ca 0.00 -0.04 -0.05 0.00 3.53 0.00 0.00 57.97 61.42 3cv5 h PHE 134 Cb 0.98 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.39 3cv5 h PHE 134 CO 0.09 0.71 0.19 0.00 -2.23 0.00 0.00 178.31 177.08 3cv5 h ALA 135 N 1.16 0.79 -0.89 2.41 0.00 -0.62 0.82 119.26 122.92 3cv5 h ALA 135 Ca 0.23 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 55.00 3cv5 h ALA 135 Cb 0.10 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.59 3cv5 h ALA 135 CO -0.03 0.45 0.56 -0.09 0.00 0.00 0.00 179.25 180.14 3cv5 h ARG 136 N 0.85 1.01 -0.07 0.00 9.65 -0.97 -2.58 114.38 122.27 3cv5 h ARG 136 Ca 0.19 -0.06 -0.04 0.00 -1.10 0.00 0.00 59.98 58.97 3cv5 h ARG 136 Cb 0.28 -0.23 0.00 0.00 -1.39 0.00 0.00 29.97 28.63 3cv5 h ARG 136 CO -0.01 0.67 -0.13 0.35 2.80 0.00 0.00 179.97 183.66 3cv5 h PHE 137 N 1.04 0.26 -0.44 2.20 3.57 -0.83 -3.32 116.94 119.43 3cv5 h PHE 137 Ca 0.38 -0.09 -0.09 0.00 3.53 0.00 0.00 57.97 61.70 3cv5 h PHE 137 Cb 0.13 -0.05 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 3cv5 h PHE 137 CO -0.02 0.72 -0.09 -0.92 -2.23 0.00 0.00 178.31 175.77 3cv5 h TYR 138 N -0.27 0.84 0.00 0.41 3.20 -0.72 -1.28 116.97 119.14 3cv5 h TYR 138 Ca 0.00 -0.15 0.00 0.00 3.14 0.00 0.00 58.73 61.73 3cv5 h TYR 138 Cb 0.70 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.75 3cv5 h TYR 138 CO 0.11 0.82 0.00 0.45 -1.64 0.00 0.00 178.16 177.91 3cv5 h HIS 139 N 0.70 0.00 -0.00 -3.82 3.86 -1.60 -2.43 115.15 111.86 3cv5 h HIS 139 Ca 0.12 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 3cv5 h HIS 139 Cb 0.56 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.03 3cv5 h HIS 139 CO 0.03 0.00 -0.42 -0.25 0.86 0.00 0.00 177.93 178.15 3cv5 n ASP 140 N -2.80 0.69 -4.77 2.45 9.92 -0.50 -4.93 116.55 116.61 3cv5 n ASP 140 Ca 0.01 -0.48 -0.38 0.00 -0.53 0.00 0.00 54.79 53.41 3cv5 n ASP 140 Cb 0.30 0.21 -0.05 0.00 -0.64 0.00 0.00 41.12 40.95 3cv5 n ASP 140 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3cv5 s LEU 141 N -2.82 4.34 0.84 0.64 1.43 -0.92 -5.06 118.68 117.14 3cv5 s LEU 141 Ca 0.16 2.06 -0.11 0.00 -1.03 0.00 0.00 54.13 55.21 3cv5 s LEU 141 Cb 0.18 -3.94 0.10 0.00 0.03 0.00 0.00 46.19 42.56 3cv5 s LEU 141 CO 0.64 -0.25 1.10 -0.83 0.23 0.00 0.00 176.35 177.24 3cv5 s GLY 142 N -1.34 1.66 0.26 -3.19 0.00 -1.26 -4.77 107.32 98.67 3cv5 s GLY 142 Ca 0.51 0.27 -0.04 0.00 0.00 0.00 0.00 44.72 45.45 3cv5 s GLY 142 CO 0.31 0.67 1.88 -2.09 0.00 0.00 0.00 173.10 173.87 3cv5 h GLU 143 N -1.43 1.13 -0.46 2.90 4.57 -1.97 0.43 114.58 119.74 3cv5 h GLU 143 Ca -0.45 -0.07 0.04 0.00 -1.18 0.00 0.00 59.36 57.70 3cv5 h GLU 143 Cb 1.25 -0.25 -0.04 0.00 -0.16 0.00 0.00 28.75 29.55 3cv5 h GLU 143 CO 0.50 0.74 0.22 -0.97 -1.18 0.00 0.00 179.01 178.32 3cv5 h ASN 144 N 1.16 0.31 0.18 1.04 -0.73 -2.00 -1.29 115.58 114.25 3cv5 h ASN 144 Ca 0.40 0.03 -0.19 0.00 1.87 0.00 0.00 56.30 58.41 3cv5 h ASN 144 Cb 0.10 -0.03 -0.00 0.00 0.27 0.00 0.00 38.32 38.66 3cv5 h ASN 144 CO -0.15 0.22 -0.72 0.11 -0.37 0.00 0.00 177.43 176.51 3cv5 h LYS 145 N 0.44 0.48 -0.87 6.67 1.79 -1.79 -1.98 116.57 121.30 3cv5 h LYS 145 Ca 0.20 -0.38 0.07 0.00 -2.18 0.00 0.00 60.65 58.36 3cv5 h LYS 145 Cb 0.12 0.08 -0.07 0.00 -1.58 0.00 0.00 32.23 30.79 3cv5 h LYS 145 CO -0.15 1.01 0.54 0.87 -1.08 0.00 0.00 179.45 180.64 3cv5 h LYS 146 N 0.33 0.93 -0.39 3.15 1.57 -0.58 -0.09 116.57 121.49 3cv5 h LYS 146 Ca -0.03 -0.06 -0.14 0.00 -1.87 0.00 0.00 60.65 58.55 3cv5 h LYS 146 Cb 1.31 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 3cv5 h LYS 146 CO 0.13 0.62 -0.31 -0.07 -0.57 0.00 0.00 179.45 179.25 3cv5 h LEU 147 N 0.96 0.94 -0.99 2.94 3.38 -1.04 -0.02 115.31 121.49 3cv5 h LEU 147 Ca 0.39 -0.44 0.02 0.00 0.09 0.00 0.00 57.88 57.93 3cv5 h LEU 147 Cb 0.22 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 3cv5 h LEU 147 CO -0.19 1.19 0.65 1.56 0.09 0.00 0.00 178.44 181.74 3cv5 h GLN 148 N 0.71 1.28 -0.26 1.13 4.20 -1.05 -1.82 115.11 119.29 3cv5 h GLN 148 Ca 0.07 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 3cv5 h GLN 148 Cb 0.89 -0.29 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 3cv5 h GLN 148 CO 0.08 0.84 -0.02 1.98 -0.67 0.00 0.00 178.83 181.04 3cv5 h MET 149 N 1.31 0.47 -0.57 1.46 4.05 -0.66 -2.40 114.93 118.60 3cv5 h MET 149 Ca 0.37 -0.16 0.02 0.00 -0.28 0.00 0.00 59.70 59.65 3cv5 h MET 149 Cb -0.11 -0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 30.63 3cv5 h MET 149 CO -0.09 0.66 0.38 0.87 0.23 0.00 0.00 176.91 178.95 3cv5 h LYS 150 N 0.24 0.69 -0.42 0.39 1.57 -0.83 -2.56 116.57 115.64 3cv5 h LYS 150 Ca 0.07 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.71 3cv5 h LYS 150 Cb 0.46 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 3cv5 h LYS 150 CO 0.02 0.45 -0.13 1.03 -0.57 0.00 0.00 179.45 180.25 3cv5 h SER 151 N 0.71 0.85 1.28 0.86 0.87 -1.03 0.82 113.55 117.91 3cv5 h SER 151 Ca 0.22 -0.38 -0.01 0.00 -1.23 0.00 0.00 61.79 60.40 3cv5 h SER 151 Cb 0.01 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 61.74 3cv5 h SER 151 CO -0.05 1.03 -0.03 0.16 -0.53 0.00 0.00 176.83 177.42 3cv5 h ILE 152 N 0.66 0.06 0.03 2.23 3.07 -1.20 -1.74 117.51 120.62 3cv5 h ILE 152 Ca 0.10 -0.72 -0.08 0.00 1.55 0.00 0.00 64.86 65.71 3cv5 h ILE 152 Cb 0.68 1.68 0.01 0.00 -0.27 0.00 0.00 36.82 38.91 3cv5 h ILE 152 CO 0.05 0.02 -0.34 0.58 -1.05 0.00 0.00 178.15 177.41 3cv5 h VAL 153 N 0.00 1.58 -0.56 0.16 2.07 -1.29 -1.09 116.25 117.12 3cv5 h VAL 153 Ca -0.00 -2.14 0.02 0.00 0.82 0.00 0.00 66.70 65.39 3cv5 h VAL 153 Cb 0.67 2.95 -0.03 0.00 -1.52 0.00 0.00 31.29 33.37 3cv5 h VAL 153 CO 0.00 0.59 0.37 0.50 0.02 0.00 0.00 177.57 179.05 3cv5 h LYS 154 N -0.53 0.69 -0.60 1.57 3.64 -0.68 -2.06 116.57 118.60 3cv5 h LYS 154 Ca -0.05 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3cv5 h LYS 154 Cb 1.15 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 3cv5 h LYS 154 CO 0.07 0.46 0.00 0.09 -2.27 0.00 0.00 179.45 177.80 3cv5 n ASN 155 N -4.46 3.44 0.00 4.20 3.02 -0.67 -4.94 115.26 115.84 3cv5 n ASN 155 Ca 0.06 -2.14 0.00 0.00 -0.03 0.00 0.00 54.58 52.46 3cv5 n ASN 155 Cb 0.08 -0.44 0.00 0.00 -0.61 0.00 0.00 39.78 38.81 3cv5 n ASN 155 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3cv5 n GLY 156 N 1.25 0.62 0.11 7.41 0.00 -0.77 -4.93 105.19 108.86 3cv5 n GLY 156 Ca 0.20 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.07 3cv5 n GLY 156 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3cv5 h GLN 157 N 1.63 0.23 -5.01 1.61 4.20 -1.56 -3.43 115.11 112.78 3cv5 h GLN 157 Ca 0.00 -0.23 -0.64 0.00 0.06 0.00 0.00 58.65 57.85 3cv5 h GLN 157 Cb 0.00 0.06 -0.18 0.00 0.30 0.00 0.00 27.48 27.66 3cv5 h GLN 157 CO 0.00 0.92 -0.56 -1.17 -0.67 0.00 0.00 178.83 177.36 3cv5 s LEU 158 N -8.56 3.83 -0.07 1.46 2.96 -0.50 -1.33 118.68 116.47 3cv5 s LEU 158 Ca -0.15 -0.03 0.03 0.00 -0.22 0.00 0.00 54.13 53.76 3cv5 s LEU 158 Cb 0.02 -2.03 0.00 0.00 0.50 0.00 0.00 46.19 44.68 3cv5 s LEU 158 CO 0.76 0.01 -0.18 -0.70 -1.32 0.00 0.00 176.35 174.92 3cv5 s GLU 159 N 1.37 2.18 0.07 1.98 2.12 -0.54 -4.29 118.70 121.59 3cv5 s GLU 159 Ca 0.06 -0.62 -0.25 0.00 0.36 0.00 0.00 54.97 54.52 3cv5 s GLU 159 Cb -0.15 -1.75 -0.06 0.00 0.26 0.00 0.00 34.13 32.43 3cv5 s GLU 159 CO 0.06 0.14 0.76 -0.06 -0.54 0.00 0.00 175.26 175.62 3cv5 s PHE 160 N 0.39 3.77 -0.08 5.30 0.08 -1.26 -1.33 117.98 124.86 3cv5 s PHE 160 Ca -0.13 1.50 0.02 0.00 0.12 0.00 0.00 56.93 58.44 3cv5 s PHE 160 Cb -0.15 -2.80 -0.02 0.00 -0.57 0.00 0.00 43.02 39.48 3cv5 s PHE 160 CO 0.05 0.33 -0.15 0.14 -0.10 0.00 0.00 175.22 175.50 3cv5 s VAL 161 N -0.31 2.97 0.00 -0.44 -7.23 -0.41 -4.66 120.40 110.32 3cv5 s VAL 161 Ca 0.38 -0.73 0.00 0.00 -1.81 0.00 0.00 61.98 59.82 3cv5 s VAL 161 Cb -0.21 -2.19 0.00 0.00 0.56 0.00 0.00 36.38 34.54 3cv5 s VAL 161 CO 0.23 0.56 0.00 0.41 -0.31 0.00 0.00 175.10 176.00 3cv5 n THR 162 N 2.87 0.00 -1.01 5.32 -1.04 0.45 -4.30 114.28 116.57 3cv5 n THR 162 Ca -0.18 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 61.83 3cv5 n THR 162 Cb 0.52 0.00 -0.00 0.00 -1.82 0.00 0.00 70.33 69.03 3cv5 n THR 162 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3cv5 n GLY 163 N 0.00 0.42 3.83 3.41 0.00 -1.26 -4.65 105.19 106.94 3cv5 n GLY 163 Ca 0.00 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.76 3cv5 n GLY 163 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3cv5 s GLY 164 N -2.89 1.61 0.35 -0.02 0.00 -1.26 -2.03 107.32 103.08 3cv5 s GLY 164 Ca 0.00 -0.34 0.05 0.00 0.00 0.00 0.00 44.72 44.44 3cv5 s GLY 164 CO 0.00 0.10 1.93 -0.25 0.00 0.00 0.00 173.10 174.88 3cv5 h TRP 165 N -1.04 0.84 -4.61 1.90 -0.00 -1.50 -1.42 115.95 110.11 3cv5 h TRP 165 Ca -0.47 0.02 -0.46 0.00 -0.00 0.00 0.00 58.89 57.99 3cv5 h TRP 165 Cb 1.28 -0.27 -0.11 0.00 -0.00 0.00 0.00 29.16 30.05 3cv5 h TRP 165 CO 0.43 0.42 -0.42 1.33 -0.00 0.00 0.00 178.44 180.20 3cv5 n VAL 166 N -4.49 0.00 -3.51 2.65 0.24 -1.26 -1.11 118.33 110.84 3cv5 n VAL 166 Ca 0.13 -2.15 -0.42 0.00 -2.04 0.00 0.00 64.34 59.85 3cv5 n VAL 166 Cb 0.26 0.94 -0.07 0.00 -1.47 0.00 0.00 33.84 33.51 3cv5 n VAL 166 CO 0.00 0.00 0.00 -0.32 -2.14 0.00 0.00 176.83 174.37 3cv5 s MET 167 N -3.29 2.80 0.61 7.34 -2.45 -1.26 -4.87 119.30 118.18 3cv5 s MET 167 Ca 0.28 -2.07 -0.15 0.00 -1.25 0.00 0.00 55.69 52.50 3cv5 s MET 167 Cb 0.01 -4.04 -0.03 0.00 1.25 0.00 0.00 34.83 32.02 3cv5 s MET 167 CO 0.20 -1.23 1.06 -1.25 1.05 0.00 0.00 175.02 174.85 3cv5 s PRO 168 N 0.83 3.25 0.54 4.11 0.04 -1.26 -3.18 135.00 139.33 3cv5 s PRO 168 Ca 0.10 1.20 -0.20 0.00 0.04 0.00 0.00 61.00 62.14 3cv5 s PRO 168 Cb -0.22 -2.02 -0.07 0.00 0.04 0.00 0.00 34.50 32.23 3cv5 s PRO 168 CO -0.03 -0.87 0.92 -3.47 0.04 0.00 0.00 177.00 173.59 3cv5 n ASP 169 N -2.15 0.67 -0.18 6.66 2.03 -0.05 -4.64 116.55 118.90 3cv5 n ASP 169 Ca 0.09 0.86 0.04 0.00 0.52 0.00 0.00 54.79 56.30 3cv5 n ASP 169 Cb 0.53 -1.35 -0.00 0.00 -0.72 0.00 0.00 41.12 39.58 3cv5 n ASP 169 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 3cv5 n GLU 170 N -0.53 2.28 -0.11 -0.67 1.02 -1.26 -4.42 120.64 116.95 3cv5 n GLU 170 Ca 0.12 -0.53 -0.25 0.00 -0.02 0.00 0.00 57.16 56.49 3cv5 n GLU 170 Cb 0.45 -1.03 -0.11 0.00 -0.02 0.00 0.00 31.44 30.73 3cv5 n GLU 170 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3cv5 n ALA 171 N -0.33 0.95 0.15 0.62 0.00 -1.26 -4.57 120.51 116.07 3cv5 n ALA 171 Ca 0.03 -0.73 0.11 0.00 0.00 0.00 0.00 53.44 52.86 3cv5 n ALA 171 Cb 0.18 -0.31 -0.14 0.00 0.00 0.00 0.00 19.45 19.18 3cv5 n ALA 171 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3cv5 n ASN 172 N -4.29 0.23 -4.75 0.00 3.02 -1.26 -4.56 115.26 103.64 3cv5 n ASN 172 Ca -0.41 -0.09 -0.41 0.00 -0.03 0.00 0.00 54.58 53.65 3cv5 n ASN 172 Cb 0.78 1.66 -0.02 0.00 -0.61 0.00 0.00 39.78 41.58 3cv5 n ASN 172 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3cv5 s SER 173 N -4.41 6.81 0.30 6.41 1.04 -1.26 -4.78 113.70 117.81 3cv5 s SER 173 Ca -0.05 2.58 -0.28 0.00 0.48 0.00 0.00 55.95 58.68 3cv5 s SER 173 Cb 0.14 -2.63 -0.09 0.00 0.10 0.00 0.00 66.02 63.53 3cv5 s SER 173 CO 0.89 -0.55 1.05 -2.28 0.98 0.00 0.00 173.24 173.33 3cv5 s HIS 174 N -0.55 3.59 0.42 5.02 2.46 -1.26 -4.25 115.29 120.72 3cv5 s HIS 174 Ca 0.53 1.73 0.14 0.00 0.47 0.00 0.00 55.06 57.93 3cv5 s HIS 174 Cb -0.39 -3.18 1.00 0.00 -0.13 0.00 0.00 32.58 29.88 3cv5 s HIS 174 CO 0.46 -0.34 1.93 0.11 -2.47 0.00 0.00 174.74 174.42 3cv5 h TRP 175 N 3.56 0.53 -0.38 3.88 5.08 -1.26 0.27 115.95 127.63 3cv5 h TRP 175 Ca -0.47 0.01 -0.04 0.00 1.08 0.00 0.00 58.89 59.47 3cv5 h TRP 175 Cb 1.21 -0.17 -0.02 0.00 -3.00 0.00 0.00 29.16 27.18 3cv5 h TRP 175 CO 0.59 0.22 0.05 0.00 -1.28 0.00 0.00 178.44 178.02 3cv5 h ARG 176 N 0.47 0.57 0.00 0.12 3.08 -1.92 -0.15 114.38 116.55 3cv5 h ARG 176 Ca 0.36 -0.11 -0.22 0.00 0.07 0.00 0.00 59.98 60.08 3cv5 h ARG 176 Cb 0.73 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.66 3cv5 h ARG 176 CO -0.12 0.56 -1.13 -0.91 -1.07 0.00 0.00 179.97 177.30 3cv5 h ASN 177 N 0.55 0.00 -0.35 7.04 2.35 -1.38 -0.23 115.58 123.56 3cv5 h ASN 177 Ca 0.12 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.86 3cv5 h ASN 177 Cb 0.28 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.63 3cv5 h ASN 177 CO 0.00 0.93 0.18 0.58 -1.65 0.00 0.00 177.43 177.47 3cv5 h VAL 178 N 0.00 1.16 -0.79 2.81 2.07 -0.85 -1.11 116.25 119.54 3cv5 h VAL 178 Ca -0.08 -0.43 -0.01 0.00 0.82 0.00 0.00 66.70 67.00 3cv5 h VAL 178 Cb 1.78 0.79 -0.04 0.00 -1.52 0.00 0.00 31.29 32.30 3cv5 h VAL 178 CO 0.11 0.16 0.44 0.25 0.02 0.00 0.00 177.57 178.55 3cv5 h LEU 179 N 0.44 0.97 -0.38 2.57 5.85 -0.96 -1.90 115.31 121.90 3cv5 h LEU 179 Ca 0.12 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.75 3cv5 h LEU 179 Cb 0.10 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.86 3cv5 h LEU 179 CO -0.02 0.78 0.24 0.25 -0.34 0.00 0.00 178.44 179.35 3cv5 h LEU 180 N 1.09 0.44 -0.48 2.25 5.85 -0.68 -0.10 115.31 123.68 3cv5 h LEU 180 Ca 0.28 -0.04 -0.17 0.00 0.84 0.00 0.00 57.88 58.79 3cv5 h LEU 180 Cb 0.02 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 3cv5 h LEU 180 CO -0.05 0.35 -0.65 0.06 -0.34 0.00 0.00 178.44 177.81 3cv5 h GLN 181 N 0.50 0.43 -0.28 1.25 -0.00 -1.12 -0.03 115.11 115.85 3cv5 h GLN 181 Ca 0.14 -0.31 0.01 0.00 -0.00 0.00 0.00 58.65 58.48 3cv5 h GLN 181 Cb -0.02 0.05 -0.02 0.00 -0.00 0.00 0.00 27.48 27.49 3cv5 h GLN 181 CO -0.03 0.93 0.18 1.25 -0.00 0.00 0.00 178.83 181.17 3cv5 h LEU 182 N 0.31 0.31 -0.76 0.06 5.85 -1.14 -1.14 115.31 118.79 3cv5 h LEU 182 Ca -0.01 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 3cv5 h LEU 182 Cb 1.20 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 3cv5 h LEU 182 CO 0.11 0.22 0.23 0.74 -0.34 0.00 0.00 178.44 179.40 3cv5 h THR 183 N 0.37 1.26 -0.31 1.05 2.02 -0.69 -0.44 112.91 116.17 3cv5 h THR 183 Ca 0.11 -0.92 -0.02 0.00 0.77 0.00 0.00 66.41 66.35 3cv5 h THR 183 Cb -0.03 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 3cv5 h THR 183 CO -0.03 0.36 0.13 -0.08 0.37 0.00 0.00 175.52 176.27 3cv5 h GLU 184 N 1.11 0.46 -0.26 6.66 4.57 -0.76 0.20 114.58 126.56 3cv5 h GLU 184 Ca 0.24 -0.08 -0.06 0.00 -1.18 0.00 0.00 59.36 58.28 3cv5 h GLU 184 Cb 0.32 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.82 3cv5 h GLU 184 CO -0.01 0.46 -0.06 0.78 -1.18 0.00 0.00 179.01 179.01 3cv5 h GLY 185 N 0.36 0.53 1.72 1.92 0.00 -1.31 -2.74 103.07 103.55 3cv5 h GLY 185 Ca 0.10 -0.44 -0.14 0.00 0.00 0.00 0.00 47.33 46.86 3cv5 h GLY 185 CO -0.01 0.40 -0.57 1.46 0.00 0.00 0.00 176.54 177.82 3cv5 h GLN 186 N 0.24 0.29 -0.53 4.80 4.20 -0.46 -0.99 115.11 122.65 3cv5 h GLN 186 Ca 0.07 -0.19 -0.08 0.00 0.06 0.00 0.00 58.65 58.51 3cv5 h GLN 186 Cb 0.52 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 3cv5 h GLN 186 CO 0.02 0.78 0.02 1.15 -0.67 0.00 0.00 178.83 180.14 3cv5 h THR 187 N 0.22 1.25 -0.19 -0.54 2.02 -0.62 -0.02 112.91 115.02 3cv5 h THR 187 Ca -0.00 -1.03 -0.02 0.00 0.77 0.00 0.00 66.41 66.13 3cv5 h THR 187 Cb 1.07 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 68.28 3cv5 h THR 187 CO 0.09 0.37 0.06 -0.25 0.37 0.00 0.00 175.52 176.16 3cv5 h TRP 188 N 0.83 0.32 -0.81 3.16 7.01 -1.19 -1.75 115.95 123.51 3cv5 h TRP 188 Ca 0.16 -0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.12 3cv5 h TRP 188 Cb 0.46 -0.09 -0.04 0.00 -2.10 0.00 0.00 29.16 27.39 3cv5 h TRP 188 CO 0.03 0.40 0.48 -0.07 -2.79 0.00 0.00 178.44 176.49 3cv5 h LEU 189 N 0.14 0.99 -0.37 0.65 3.38 -0.90 0.13 115.31 119.33 3cv5 h LEU 189 Ca 0.06 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3cv5 h LEU 189 Cb 0.23 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3cv5 h LEU 189 CO -0.00 0.77 0.06 0.50 0.09 0.00 0.00 178.44 179.86 3cv5 h LYS 190 N 1.12 0.62 -0.32 1.13 3.64 -0.86 0.13 116.57 122.03 3cv5 h LYS 190 Ca 0.29 -0.17 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 3cv5 h LYS 190 Cb -0.02 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 3cv5 h LYS 190 CO -0.05 0.69 0.14 0.37 -2.27 0.00 0.00 179.45 178.32 3cv5 h GLN 191 N 0.46 0.48 0.00 1.90 4.15 -0.94 -2.86 115.11 118.30 3cv5 h GLN 191 Ca 0.11 -0.08 -0.27 0.00 0.77 0.00 0.00 58.65 59.18 3cv5 h GLN 191 Cb 0.37 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 27.93 3cv5 h GLN 191 CO 0.01 0.47 -2.20 1.19 -1.93 0.00 0.00 178.83 176.37 3cv5 n PHE 192 N -4.73 0.00 0.27 3.99 3.72 0.00 -4.59 117.46 116.13 3cv5 n PHE 192 Ca -0.02 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.41 3cv5 n PHE 192 Cb 0.13 -0.82 -0.01 0.00 -0.94 0.00 0.00 39.48 37.83 3cv5 n PHE 192 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 3cv5 n MET 193 N -2.58 3.51 -3.79 -1.08 2.81 0.33 -5.00 117.12 111.32 3cv5 n MET 193 Ca -0.25 -0.27 -0.26 0.00 -1.81 0.00 0.00 57.70 55.11 3cv5 n MET 193 Cb 0.98 -0.88 0.04 0.00 -0.71 0.00 0.00 33.22 32.65 3cv5 n MET 193 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3cv5 n ASN 194 N -0.68 -3.78 -3.85 7.83 5.15 -0.40 -4.90 115.26 114.64 3cv5 n ASN 194 Ca 0.02 -0.75 -0.12 0.00 -0.60 0.00 0.00 54.58 53.13 3cv5 n ASN 194 Cb 0.11 -4.15 -0.10 0.00 -0.53 0.00 0.00 39.78 35.11 3cv5 n ASN 194 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3cv5 s VAL 195 N -3.42 0.06 -0.23 3.44 -7.23 -1.20 -4.99 120.40 106.84 3cv5 s VAL 195 Ca 0.42 -0.53 -0.00 0.00 -1.81 0.00 0.00 61.98 60.06 3cv5 s VAL 195 Cb -0.21 -0.41 0.06 0.00 0.56 0.00 0.00 36.38 36.39 3cv5 s VAL 195 CO 0.81 -0.29 -0.01 -0.89 -0.31 0.00 0.00 175.10 174.41 3cv5 s THR 196 N -1.06 1.16 0.45 5.32 2.01 -1.26 -3.37 115.64 118.89 3cv5 s THR 196 Ca -0.11 -1.04 -0.25 0.00 0.31 0.00 0.00 61.69 60.60 3cv5 s THR 196 Cb -0.06 -1.55 -0.09 0.00 0.01 0.00 0.00 72.50 70.81 3cv5 s THR 196 CO 0.01 -0.19 1.35 -2.65 -0.69 0.00 0.00 174.62 172.46 3cv5 n PRO 197 N 4.80 2.05 -0.01 4.92 -0.02 -1.26 -4.92 135.00 140.56 3cv5 n PRO 197 Ca -0.10 0.73 0.02 0.00 -2.02 0.00 0.00 63.50 62.13 3cv5 n PRO 197 Cb 0.45 -2.52 0.02 0.00 -0.02 0.00 0.00 33.50 31.43 3cv5 n PRO 197 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3cv5 n THR 198 N -0.30 0.22 -5.23 3.45 -2.24 -1.26 -4.78 114.28 104.14 3cv5 n THR 198 Ca 0.06 -0.61 -0.32 0.00 -2.27 0.00 0.00 64.05 60.91 3cv5 n THR 198 Cb 0.41 0.94 -0.16 0.00 -2.10 0.00 0.00 70.33 69.41 3cv5 n THR 198 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3cv5 s ALA 199 N -0.42 2.19 -0.01 6.98 0.00 -1.26 -0.61 121.76 128.63 3cv5 s ALA 199 Ca 0.04 -1.02 -0.00 0.00 0.00 0.00 0.00 51.96 50.98 3cv5 s ALA 199 Cb 0.03 -0.74 -0.04 0.00 0.00 0.00 0.00 23.12 22.37 3cv5 s ALA 199 CO 0.04 0.38 0.07 0.45 0.00 0.00 0.00 175.76 176.70 3cv5 s SER 200 N -0.01 5.63 -0.25 0.00 0.15 -0.66 -0.41 113.70 118.15 3cv5 s SER 200 Ca -0.08 0.14 -0.01 0.00 0.70 0.00 0.00 55.95 56.70 3cv5 s SER 200 Cb -0.15 -1.61 0.07 0.00 -1.71 0.00 0.00 66.02 62.63 3cv5 s SER 200 CO 0.05 0.28 0.02 0.86 1.20 0.00 0.00 173.24 175.65 3cv5 s TRP 201 N -1.17 1.78 -0.58 3.44 -0.11 -1.26 -0.53 118.94 120.51 3cv5 s TRP 201 Ca 0.22 -1.48 0.05 0.00 1.22 0.00 0.00 56.10 56.10 3cv5 s TRP 201 Cb -0.12 -1.48 0.17 0.00 -1.50 0.00 0.00 33.47 30.54 3cv5 s TRP 201 CO 0.13 -0.75 0.43 0.00 -4.62 0.00 0.00 176.95 172.14 3cv5 s ALA 202 N 1.60 2.81 -0.88 5.86 0.00 -0.43 -4.84 121.76 125.89 3cv5 s ALA 202 Ca 0.01 -3.26 0.26 0.00 0.00 0.00 0.00 51.96 48.96 3cv5 s ALA 202 Cb -0.18 -1.93 0.66 0.00 0.00 0.00 0.00 23.12 21.67 3cv5 s ALA 202 CO -0.12 -2.05 1.54 0.44 0.00 0.00 0.00 175.76 175.57 3cv5 n ILE 203 N 2.33 0.15 0.00 0.00 -5.35 -1.26 -3.27 119.36 111.96 3cv5 n ILE 203 Ca 0.24 -0.10 0.00 0.00 -0.27 0.00 0.00 62.75 62.62 3cv5 n ILE 203 Cb 0.40 -0.10 0.00 0.00 -1.74 0.00 0.00 39.64 38.20 3cv5 n ILE 203 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3cv5 n ALA 204 N -1.62 1.90 -1.45 -1.28 0.00 -1.26 -4.35 120.51 112.46 3cv5 n ALA 204 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.13 3cv5 n ALA 204 Cb 0.37 0.08 0.09 0.00 0.00 0.00 0.00 19.45 19.99 3cv5 n ALA 204 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3cv5 n PRO 205 N -1.57 0.66 -3.05 0.00 -0.02 -1.26 -4.86 135.00 124.90 3cv5 n PRO 205 Ca 0.00 0.29 -0.44 0.00 -2.02 0.00 0.00 63.50 61.32 3cv5 n PRO 205 Cb 0.15 -2.37 -0.00 0.00 -0.02 0.00 0.00 33.50 31.27 3cv5 n PRO 205 CO 0.00 0.00 0.00 -0.06 1.98 0.00 0.00 175.50 177.42 3cv5 s PHE 206 N -1.72 3.67 0.00 6.00 0.08 -1.26 -4.43 117.98 120.32 3cv5 s PHE 206 Ca 0.77 -2.21 0.00 0.00 0.12 0.00 0.00 56.93 55.60 3cv5 s PHE 206 Cb -0.35 -4.19 0.00 0.00 -0.57 0.00 0.00 43.02 37.91 3cv5 s PHE 206 CO 0.47 -1.29 0.00 0.41 -0.10 0.00 0.00 175.22 174.71 3cv5 n GLY 207 N 3.87 0.80 3.02 4.36 0.00 -0.82 -4.58 105.19 111.84 3cv5 n GLY 207 Ca 0.32 -1.77 -0.16 0.00 0.00 0.00 0.00 46.02 44.41 3cv5 n GLY 207 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3cv5 s HIS 208 N -2.96 0.68 -0.03 1.61 3.76 -1.03 -4.65 115.29 112.66 3cv5 s HIS 208 Ca 0.00 -0.23 0.03 0.00 -0.15 0.00 0.00 55.06 54.71 3cv5 s HIS 208 Cb 0.00 -0.42 -0.03 0.00 1.11 0.00 0.00 32.58 33.24 3cv5 s HIS 208 CO 0.00 -0.02 -0.12 0.45 -0.85 0.00 0.00 174.74 174.20 3cv5 s SER 209 N -0.61 4.23 0.00 1.40 0.15 -1.26 -0.96 113.70 116.64 3cv5 s SER 209 Ca -0.01 -0.18 0.09 0.00 0.70 0.00 0.00 55.95 56.55 3cv5 s SER 209 Cb -0.05 -0.92 0.41 0.00 -1.71 0.00 0.00 66.02 63.75 3cv5 s SER 209 CO 0.00 0.32 1.27 -0.81 1.20 0.00 0.00 173.24 175.23 3cv5 n PRO 210 N 2.04 0.02 0.07 5.44 -0.04 -1.26 -2.17 135.00 139.10 3cv5 n PRO 210 Ca -0.17 0.32 0.10 0.00 -0.04 0.00 0.00 63.50 63.71 3cv5 n PRO 210 Cb 0.52 -1.50 0.56 0.00 -0.04 0.00 0.00 33.50 33.04 3cv5 n PRO 210 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 3cv5 h THR 211 N 0.00 0.96 0.82 0.52 2.02 -1.95 -2.29 112.91 113.00 3cv5 h THR 211 Ca 0.00 -0.08 -0.04 0.00 0.77 0.00 0.00 66.41 67.06 3cv5 h THR 211 Cb 0.15 0.70 0.01 0.00 -1.74 0.00 0.00 68.15 67.26 3cv5 h THR 211 CO 0.00 0.04 -0.39 0.24 0.37 0.00 0.00 175.52 175.78 3cv5 h MET 212 N 0.24 -1.06 -0.37 6.66 2.86 -1.85 -1.70 114.93 119.71 3cv5 h MET 212 Ca 0.14 0.07 0.03 0.00 -2.06 0.00 0.00 59.70 57.89 3cv5 h MET 212 Cb 0.27 0.24 -0.02 0.00 0.06 0.00 0.00 31.60 32.15 3cv5 h MET 212 CO -0.03 -0.70 0.25 -1.00 1.06 0.00 0.00 176.91 176.49 3cv5 h PRO 213 N -1.22 0.36 0.01 -0.22 0.13 -1.75 0.12 132.00 129.43 3cv5 h PRO 213 Ca -0.11 -0.02 0.03 0.00 -0.87 0.00 0.00 66.00 65.02 3cv5 h PRO 213 Cb 0.86 -0.08 -0.04 0.00 0.13 0.00 0.00 31.00 31.87 3cv5 h PRO 213 CO 0.19 0.24 -0.20 -0.92 -0.23 0.00 0.00 178.00 177.08 3cv5 h TYR 214 N 0.38 -0.53 -0.27 1.56 3.20 -1.23 0.42 116.97 120.49 3cv5 h TYR 214 Ca 0.15 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.93 3cv5 h TYR 214 Cb 0.14 0.24 -0.00 0.00 1.54 0.00 0.00 36.73 38.64 3cv5 h TYR 214 CO -0.00 -0.29 -0.24 0.82 -1.64 0.00 0.00 178.16 176.81 3cv5 h ILE 215 N -0.33 1.31 -0.48 1.81 2.04 -0.94 -3.04 117.51 117.89 3cv5 h ILE 215 Ca 0.06 -1.40 -0.06 0.00 1.00 0.00 0.00 64.86 64.46 3cv5 h ILE 215 Cb 0.40 1.61 -0.02 0.00 -0.74 0.00 0.00 36.82 38.07 3cv5 h ILE 215 CO -0.18 0.44 0.08 -0.07 0.00 0.00 0.00 178.15 178.42 3cv5 h LEU 216 N 0.37 0.76 -1.72 1.44 3.38 -0.61 -1.96 115.31 116.97 3cv5 h LEU 216 Ca 0.05 -0.26 -0.04 0.00 0.09 0.00 0.00 57.88 57.72 3cv5 h LEU 216 Cb 0.80 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 3cv5 h LEU 216 CO 0.06 0.83 -0.17 -0.61 0.09 0.00 0.00 178.44 178.64 3cv5 h GLN 217 N 0.67 0.00 -0.12 1.13 -0.00 -0.98 0.87 115.11 116.68 3cv5 h GLN 217 Ca 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.80 3cv5 h GLN 217 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.87 3cv5 h GLN 217 CO 0.01 0.17 0.00 1.63 0.00 0.00 0.00 178.83 180.64 3cv5 n LYS 218 N -3.83 1.66 -0.49 1.69 5.02 -0.88 -3.77 118.16 117.57 3cv5 n LYS 218 Ca -0.02 -0.99 0.07 0.00 -2.02 0.00 0.00 58.31 55.35 3cv5 n LYS 218 Cb 0.27 -1.41 0.19 0.00 -0.02 0.00 0.00 35.03 34.06 3cv5 n LYS 218 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3cv5 n SER 219 N 0.20 1.83 0.00 4.39 7.64 0.19 -1.94 113.62 125.94 3cv5 n SER 219 Ca 0.17 -3.64 0.00 0.00 1.01 0.00 0.00 58.87 56.40 3cv5 n SER 219 Cb 0.32 -0.50 0.00 0.00 -1.01 0.00 0.00 64.21 63.02 3cv5 n SER 219 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3cv5 n GLY 220 N -1.15 0.87 3.80 0.23 0.00 -1.12 -4.91 105.19 102.91 3cv5 n GLY 220 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 3cv5 n GLY 220 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3cv5 s PHE 221 N -3.43 2.96 -0.02 1.61 0.40 -0.55 -4.82 117.98 114.13 3cv5 s PHE 221 Ca 0.00 1.55 0.01 0.00 -0.60 0.00 0.00 56.93 57.89 3cv5 s PHE 221 Cb 0.00 -3.06 -0.02 0.00 0.51 0.00 0.00 43.02 40.45 3cv5 s PHE 221 CO 0.00 -1.03 0.03 1.63 0.70 0.00 0.00 175.22 176.55 3cv5 n LYS 222 N -1.46 2.02 -3.70 0.44 4.01 0.22 -4.58 118.16 115.10 3cv5 n LYS 222 Ca 0.09 -0.01 -0.14 0.00 -0.51 0.00 0.00 58.31 57.74 3cv5 n LYS 222 Cb 0.52 -0.89 -0.08 0.00 -0.51 0.00 0.00 35.03 34.08 3cv5 n LYS 222 CO 0.00 0.00 0.00 -0.80 -1.11 0.00 0.00 177.40 175.49 3cv5 s ASN 223 N -1.83 -0.29 0.06 4.39 0.01 -1.03 -3.82 114.94 112.43 3cv5 s ASN 223 Ca -0.00 0.20 -0.07 0.00 -0.71 0.00 0.00 52.86 52.28 3cv5 s ASN 223 Cb 0.01 0.37 -0.01 0.00 0.41 0.00 0.00 41.25 42.03 3cv5 s ASN 223 CO 0.05 -0.51 0.14 0.00 -1.51 0.00 0.00 177.10 175.28 3cv5 s MET 224 N -1.44 0.74 -0.02 -0.60 0.23 0.07 -1.65 119.30 116.63 3cv5 s MET 224 Ca -0.12 -0.89 0.04 0.00 -1.03 0.00 0.00 55.69 53.69 3cv5 s MET 224 Cb -0.04 0.29 -0.01 0.00 -1.53 0.00 0.00 34.83 33.55 3cv5 s MET 224 CO 0.05 -0.21 -0.14 -1.17 -2.03 0.00 0.00 175.02 171.52 3cv5 s LEU 225 N -2.58 1.96 0.21 0.18 0.20 0.31 -0.55 118.68 118.42 3cv5 s LEU 225 Ca 0.01 -0.26 0.03 0.00 0.69 0.00 0.00 54.13 54.60 3cv5 s LEU 225 Cb 0.03 -0.74 -0.05 0.00 -0.43 0.00 0.00 46.19 45.00 3cv5 s LEU 225 CO -0.08 0.15 -0.00 0.27 -0.29 0.00 0.00 176.35 176.39 3cv5 s ILE 226 N -0.17 0.93 0.00 6.68 -4.36 -0.12 -1.31 121.20 122.86 3cv5 s ILE 226 Ca 0.02 -2.02 0.00 0.00 -0.26 0.00 0.00 60.65 58.39 3cv5 s ILE 226 Cb -0.07 -2.27 0.00 0.00 1.25 0.00 0.00 42.46 41.37 3cv5 s ILE 226 CO 0.00 -0.38 0.00 1.67 0.24 0.00 0.00 174.94 176.48 3cv5 n GLN 227 N -0.36 0.00 -2.94 0.37 -0.06 -1.20 -1.55 117.38 111.64 3cv5 n GLN 227 Ca -0.06 0.00 -0.44 0.00 -2.00 0.00 0.00 57.00 54.51 3cv5 n GLN 227 Cb 0.64 -0.22 0.00 0.00 -4.06 0.00 0.00 30.24 26.60 3cv5 n GLN 227 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 3cv5 n ARG 228 N -2.07 3.38 -4.43 3.69 1.74 -1.26 -4.77 116.66 112.94 3cv5 n ARG 228 Ca 0.00 -3.85 -0.25 0.00 -0.77 0.00 0.00 57.85 52.98 3cv5 n ARG 228 Cb 0.00 -3.03 -0.10 0.00 -1.02 0.00 0.00 32.46 28.31 3cv5 n ARG 228 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3cv5 s THR 229 N 1.51 2.61 0.27 0.55 -4.23 -1.26 -1.93 115.64 113.14 3cv5 s THR 229 Ca 0.43 -2.21 -0.30 0.00 -1.18 0.00 0.00 61.69 58.43 3cv5 s THR 229 Cb -0.03 -2.34 -0.14 0.00 1.34 0.00 0.00 72.50 71.34 3cv5 s THR 229 CO 0.00 -0.31 1.22 1.57 -0.54 0.00 0.00 174.62 176.56 3cv5 n HIS 230 N -0.39 1.77 0.08 3.99 -0.00 -1.26 -4.75 115.22 114.65 3cv5 n HIS 230 Ca -0.07 0.58 0.15 0.00 0.46 0.00 0.00 57.72 58.84 3cv5 n HIS 230 Cb 0.59 -2.35 0.64 0.00 -0.12 0.00 0.00 29.99 28.75 3cv5 n HIS 230 CO 0.00 0.00 0.00 0.10 0.46 0.00 0.00 176.34 176.90 3cv5 h TYR 231 N 3.02 0.06 -0.14 1.57 -0.00 -1.82 -0.89 116.97 118.77 3cv5 h TYR 231 Ca -0.43 0.00 -0.16 0.00 -0.00 0.00 0.00 58.73 58.14 3cv5 h TYR 231 Cb 1.31 -0.02 -0.01 0.00 -0.00 0.00 0.00 36.73 38.01 3cv5 h TYR 231 CO 0.52 0.03 -0.59 0.77 -0.00 0.00 0.00 178.16 178.90 3cv5 h SER 232 N 0.06 0.50 -0.32 0.10 0.02 -1.88 -2.18 113.55 109.84 3cv5 h SER 232 Ca 0.17 -0.28 -0.03 0.00 -0.84 0.00 0.00 61.79 60.80 3cv5 h SER 232 Cb 0.59 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 3cv5 h SER 232 CO -0.01 0.98 0.08 0.58 -1.14 0.00 0.00 176.83 177.31 3cv5 h VAL 233 N 0.34 1.22 -0.49 2.27 2.07 -1.53 -1.53 116.25 118.59 3cv5 h VAL 233 Ca -0.00 -0.75 0.05 0.00 0.82 0.00 0.00 66.70 66.83 3cv5 h VAL 233 Cb 1.12 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 31.94 3cv5 h VAL 233 CO 0.10 0.25 0.21 0.11 0.02 0.00 0.00 177.57 178.27 3cv5 h LYS 234 N 0.36 0.41 -0.24 1.57 1.57 -1.29 -0.48 116.57 118.47 3cv5 h LYS 234 Ca 0.10 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 3cv5 h LYS 234 Cb 0.30 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 3cv5 h LYS 234 CO 0.00 0.27 0.13 -0.22 -0.57 0.00 0.00 179.45 179.07 3cv5 h LYS 235 N 0.42 0.33 -0.16 3.15 3.64 -1.29 -0.02 116.57 122.63 3cv5 h LYS 235 Ca 0.22 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 3cv5 h LYS 235 Cb 0.18 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.93 3cv5 h LYS 235 CO -0.19 0.29 0.06 1.49 -2.27 0.00 0.00 179.45 178.83 3cv5 h GLU 236 N 0.28 0.24 -0.36 1.90 4.57 -1.04 -1.94 114.58 118.24 3cv5 h GLU 236 Ca 0.08 -0.04 -0.15 0.00 -1.18 0.00 0.00 59.36 58.07 3cv5 h GLU 236 Cb 0.05 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.59 3cv5 h GLU 236 CO -0.01 0.32 -0.36 -0.07 -1.18 0.00 0.00 179.01 177.71 3cv5 h LEU 237 N 0.11 0.87 -0.70 1.64 3.38 -1.07 -3.04 115.31 116.49 3cv5 h LEU 237 Ca 0.05 -0.38 0.04 0.00 0.09 0.00 0.00 57.88 57.69 3cv5 h LEU 237 Cb 0.17 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.63 3cv5 h LEU 237 CO -0.00 1.14 0.42 0.00 0.09 0.00 0.00 178.44 180.09 3cv5 h ALA 238 N 0.91 0.93 -0.29 1.53 0.00 -0.85 0.54 119.26 122.02 3cv5 h ALA 238 Ca 0.06 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 55.02 3cv5 h ALA 238 Cb 0.92 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 3cv5 h ALA 238 CO 0.08 0.16 0.20 1.96 0.00 0.00 0.00 179.25 181.66 3cv5 h GLN 239 N 0.81 0.13 -0.58 0.00 4.20 -1.24 -1.57 115.11 116.86 3cv5 h GLN 239 Ca 0.29 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.00 3cv5 h GLN 239 Cb 0.09 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.84 3cv5 h GLN 239 CO -0.14 0.09 0.00 1.04 -0.67 0.00 0.00 178.83 179.15 3cv5 n GLN 240 N -4.48 2.64 -4.14 1.46 1.13 -0.82 -4.95 117.38 108.22 3cv5 n GLN 240 Ca 0.03 -2.48 -0.30 0.00 -1.94 0.00 0.00 57.00 52.32 3cv5 n GLN 240 Cb 0.27 -1.52 -0.05 0.00 0.11 0.00 0.00 30.24 29.05 3cv5 n GLN 240 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3cv5 n ARG 241 N 1.49 -2.41 -0.81 -1.09 1.74 -0.59 -4.89 116.66 110.11 3cv5 n ARG 241 Ca 0.22 0.29 -0.05 0.00 -0.77 0.00 0.00 57.85 57.54 3cv5 n ARG 241 Cb 0.60 -4.32 0.20 0.00 -1.02 0.00 0.00 32.46 27.92 3cv5 n ARG 241 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3cv5 n GLN 242 N -4.44 1.99 0.17 5.56 6.02 0.10 -4.64 117.38 122.15 3cv5 n GLN 242 Ca -0.24 -3.14 0.13 0.00 -0.01 0.00 0.00 57.00 53.74 3cv5 n GLN 242 Cb 0.65 -1.85 0.32 0.00 1.02 0.00 0.00 30.24 30.38 3cv5 n GLN 242 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 3cv5 h LEU 243 N 1.09 0.00 -8.54 1.08 3.38 -1.81 -3.42 115.31 107.09 3cv5 h LEU 243 Ca 0.23 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.55 3cv5 h LEU 243 Cb 1.74 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 42.22 3cv5 h LEU 243 CO 0.43 0.00 -0.74 -1.61 0.09 0.00 0.00 178.44 176.61 3cv5 s GLU 244 N -3.19 3.40 0.12 1.13 2.02 -1.26 -0.44 118.70 120.47 3cv5 s GLU 244 Ca 0.08 -0.65 -0.14 0.00 0.02 0.00 0.00 54.97 54.28 3cv5 s GLU 244 Cb 0.09 -2.79 0.02 0.00 0.10 0.00 0.00 34.13 31.55 3cv5 s GLU 244 CO 0.61 0.05 0.34 -0.59 0.02 0.00 0.00 175.26 175.70 3cv5 s PHE 245 N 0.78 -0.10 -0.51 1.61 -0.12 -0.44 -4.26 117.98 114.95 3cv5 s PHE 245 Ca -0.04 -0.25 -0.22 0.00 -0.05 0.00 0.00 56.93 56.37 3cv5 s PHE 245 Cb -0.15 0.17 0.04 0.00 -0.63 0.00 0.00 43.02 42.45 3cv5 s PHE 245 CO 0.01 -0.66 0.80 -0.51 -0.05 0.00 0.00 175.22 174.81 3cv5 s LEU 246 N -2.82 4.40 -0.44 -1.99 1.43 0.05 -0.52 118.68 118.79 3cv5 s LEU 246 Ca 0.04 -0.46 -0.21 0.00 -1.03 0.00 0.00 54.13 52.47 3cv5 s LEU 246 Cb 0.03 -2.74 0.02 0.00 0.03 0.00 0.00 46.19 43.53 3cv5 s LEU 246 CO -0.11 -1.04 0.64 0.86 0.23 0.00 0.00 176.35 176.93 3cv5 s TRP 247 N 3.37 3.06 0.32 0.29 -0.00 -0.49 -1.20 118.94 124.29 3cv5 s TRP 247 Ca 0.25 -0.07 0.08 0.00 -0.00 0.00 0.00 56.10 56.36 3cv5 s TRP 247 Cb -0.14 -3.35 -0.03 0.00 -0.00 0.00 0.00 33.47 29.94 3cv5 s TRP 247 CO 0.18 -0.88 0.20 -0.98 -0.00 0.00 0.00 176.95 175.47 3cv5 s ARG 248 N 2.81 2.58 0.64 5.86 1.70 -0.38 -1.46 118.95 130.71 3cv5 s ARG 248 Ca 0.22 -1.37 -0.15 0.00 -0.47 0.00 0.00 55.73 53.96 3cv5 s ARG 248 Cb -0.14 -2.35 -0.01 0.00 -0.57 0.00 0.00 34.95 31.88 3cv5 s ARG 248 CO 0.19 0.16 1.10 -0.65 -1.08 0.00 0.00 175.30 175.01 3cv5 s GLN 249 N -3.90 2.92 0.56 3.89 -1.52 -1.26 -4.35 119.66 116.00 3cv5 s GLN 249 Ca 0.38 1.35 0.23 0.00 -1.95 0.00 0.00 55.36 55.38 3cv5 s GLN 249 Cb -0.05 -1.97 1.57 0.00 -0.22 0.00 0.00 33.01 32.34 3cv5 s GLN 249 CO 0.24 -1.15 2.20 -0.84 -0.25 0.00 0.00 175.29 175.50 3cv5 h ILE 250 N 0.13 0.74 -0.14 1.08 3.07 -1.94 -1.95 117.51 118.49 3cv5 h ILE 250 Ca -0.47 0.00 0.00 0.00 1.55 0.00 0.00 64.86 65.94 3cv5 h ILE 250 Cb 1.24 0.99 0.00 0.00 -0.27 0.00 0.00 36.82 38.78 3cv5 h ILE 250 CO 0.55 0.00 0.00 -2.67 -1.05 0.00 0.00 178.15 174.98 3cv5 n TRP 251 N -4.17 0.17 -2.96 0.16 2.14 -1.26 -4.64 117.44 106.88 3cv5 n TRP 251 Ca -0.03 -0.08 -0.44 0.00 2.07 0.00 0.00 57.50 59.02 3cv5 n TRP 251 Cb 0.10 0.00 -0.04 0.00 -0.81 0.00 0.00 31.31 30.56 3cv5 n TRP 251 CO 0.00 0.00 0.00 0.34 2.07 0.00 0.00 177.69 180.10 3cv5 s ASP 252 N -1.80 6.19 0.15 -0.67 2.15 -0.74 -4.68 116.67 117.28 3cv5 s ASP 252 Ca 0.33 -1.11 -0.02 0.00 0.43 0.00 0.00 52.55 52.18 3cv5 s ASP 252 Cb 0.21 -2.37 -0.02 0.00 -0.30 0.00 0.00 42.92 40.43 3cv5 s ASP 252 CO 0.31 -1.30 1.36 -1.13 -0.17 0.00 0.00 175.17 174.24 3cv5 h ASN 253 N 9.40 0.47 0.33 -0.34 -0.73 -1.88 -3.32 115.58 119.51 3cv5 h ASN 253 Ca -0.29 -0.35 -0.27 0.00 1.87 0.00 0.00 56.30 57.26 3cv5 h ASN 253 Cb 1.08 -0.14 0.02 0.00 0.27 0.00 0.00 38.32 39.54 3cv5 h ASN 253 CO 1.14 1.12 -1.17 0.50 -0.37 0.00 0.00 177.43 178.65 3cv5 h LYS 254 N 0.23 0.46 0.00 6.67 3.64 -1.99 -3.44 116.57 122.14 3cv5 h LYS 254 Ca -0.06 -0.63 0.00 0.00 -1.27 0.00 0.00 60.65 58.70 3cv5 h LYS 254 Cb 1.46 0.21 0.00 0.00 -0.41 0.00 0.00 32.23 33.49 3cv5 h LYS 254 CO 0.14 1.26 0.00 0.41 -2.27 0.00 0.00 179.45 179.00 3cv5 n GLY 255 N 1.31 0.95 0.26 5.01 0.00 -1.25 -4.99 105.19 106.48 3cv5 n GLY 255 Ca -0.10 -0.01 0.17 0.00 0.00 0.00 0.00 46.02 46.08 3cv5 n GLY 255 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3cv5 h ASP 256 N 0.00 0.00 0.33 1.61 3.32 -1.94 -1.50 116.42 118.25 3cv5 h ASP 256 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3cv5 h ASP 256 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3cv5 h ASP 256 CO 0.00 0.00 -0.03 0.35 -1.72 0.00 0.00 179.24 177.84 3cv5 n THR 257 N -2.89 0.00 -1.86 0.35 -2.24 -1.26 -4.97 114.28 101.42 3cv5 n THR 257 Ca -0.00 -0.03 -0.40 0.00 -2.27 0.00 0.00 64.05 61.35 3cv5 n THR 257 Cb 0.22 -0.34 0.01 0.00 -2.10 0.00 0.00 70.33 68.11 3cv5 n THR 257 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3cv5 s ALA 258 N -2.36 3.37 -0.05 6.98 0.00 -0.57 -4.72 121.76 124.41 3cv5 s ALA 258 Ca 0.34 1.45 0.01 0.00 0.00 0.00 0.00 51.96 53.76 3cv5 s ALA 258 Cb 0.21 -3.57 0.02 0.00 0.00 0.00 0.00 23.12 19.78 3cv5 s ALA 258 CO 0.44 -1.06 -0.04 -1.17 0.00 0.00 0.00 175.76 173.93 3cv5 s LEU 259 N -2.42 1.24 0.12 0.00 2.96 -0.53 -4.88 118.68 115.17 3cv5 s LEU 259 Ca 0.57 -0.13 -0.31 0.00 -0.22 0.00 0.00 54.13 54.04 3cv5 s LEU 259 Cb -0.44 -0.46 -0.09 0.00 0.50 0.00 0.00 46.19 45.70 3cv5 s LEU 259 CO 0.57 -0.07 1.57 0.12 -1.32 0.00 0.00 176.35 177.22 3cv5 s PHE 260 N 1.06 2.85 -0.05 5.38 5.36 -1.25 -1.40 117.98 129.93 3cv5 s PHE 260 Ca -0.09 0.56 0.04 0.00 -0.96 0.00 0.00 56.93 56.49 3cv5 s PHE 260 Cb -0.14 -3.90 -0.00 0.00 -0.34 0.00 0.00 43.02 38.63 3cv5 s PHE 260 CO -0.01 -3.43 -0.19 0.99 -1.46 0.00 0.00 175.22 171.13 3cv5 s THR 261 N 1.71 1.55 -0.24 0.12 2.01 0.32 -0.75 115.64 120.36 3cv5 s THR 261 Ca 0.71 -0.78 -0.04 0.00 0.31 0.00 0.00 61.69 61.88 3cv5 s THR 261 Cb -0.41 -1.33 0.00 0.00 0.01 0.00 0.00 72.50 70.77 3cv5 s THR 261 CO 0.31 0.44 -0.01 -2.28 -0.69 0.00 0.00 174.62 172.39 3cv5 s HIS 262 N 0.05 3.03 -0.24 4.92 2.46 0.29 -1.32 115.29 124.48 3cv5 s HIS 262 Ca -0.05 -1.05 -0.15 0.00 0.47 0.00 0.00 55.06 54.28 3cv5 s HIS 262 Cb -0.12 -2.14 -0.04 0.00 -0.13 0.00 0.00 32.58 30.15 3cv5 s HIS 262 CO 0.03 -0.58 0.37 1.41 -2.47 0.00 0.00 174.74 173.50 3cv5 s MET 263 N 1.46 4.09 0.52 2.88 0.00 0.41 -0.94 119.30 127.72 3cv5 s MET 263 Ca 0.04 0.09 -0.21 0.00 0.00 0.00 0.00 55.69 55.62 3cv5 s MET 263 Cb -0.15 -3.59 -0.06 0.00 0.00 0.00 0.00 34.83 31.02 3cv5 s MET 263 CO -0.02 -0.14 1.15 -1.64 0.00 0.00 0.00 175.02 174.37 3cv5 s MET 264 N 1.65 3.47 0.08 4.11 -1.94 -0.59 -4.79 119.30 121.28 3cv5 s MET 264 Ca 0.16 1.69 0.23 0.00 -1.71 0.00 0.00 55.69 56.06 3cv5 s MET 264 Cb -0.15 -2.14 0.03 0.00 2.01 0.00 0.00 34.83 34.58 3cv5 s MET 264 CO 0.08 -0.77 1.01 -0.35 -0.01 0.00 0.00 175.02 174.98 3cv5 n PRO 265 N -1.03 0.39 -2.71 2.03 -0.04 -1.26 -4.85 135.00 127.52 3cv5 n PRO 265 Ca 0.10 0.01 -0.12 0.00 -0.04 0.00 0.00 63.50 63.45 3cv5 n PRO 265 Cb 0.50 -1.64 -0.01 0.00 -0.04 0.00 0.00 33.50 32.31 3cv5 n PRO 265 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3cv5 n PHE 266 N -2.15 -0.59 0.16 0.54 3.72 -1.26 -4.81 117.46 113.07 3cv5 n PHE 266 Ca 0.01 -1.03 0.03 0.00 -0.05 0.00 0.00 57.45 56.41 3cv5 n PHE 266 Cb 0.47 -0.18 0.23 0.00 -0.94 0.00 0.00 39.48 39.07 3cv5 n PHE 266 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 176.76 175.79 3cv5 h TYR 267 N 0.74 0.00 -4.18 1.38 3.20 -1.95 -3.46 116.97 112.70 3cv5 h TYR 267 Ca -0.16 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.55 3cv5 h TYR 267 Cb 0.55 0.00 -0.13 0.00 1.54 0.00 0.00 36.73 38.69 3cv5 h TYR 267 CO 0.00 0.48 -0.45 0.45 -1.64 0.00 0.00 178.16 177.01 3cv5 s SER 268 N -6.55 0.11 0.00 -2.11 0.15 -1.26 -5.03 113.70 99.00 3cv5 s SER 268 Ca 0.00 -1.12 0.23 0.00 0.70 0.00 0.00 55.95 55.76 3cv5 s SER 268 Cb 0.11 0.42 0.64 0.00 -1.71 0.00 0.00 66.02 65.48 3cv5 s SER 268 CO 0.72 -0.89 1.51 0.00 1.20 0.00 0.00 173.24 175.78 3cv5 n TYR 269 N -0.24 0.23 -1.62 3.44 0.18 -1.26 -4.48 117.16 113.41 3cv5 n TYR 269 Ca -0.03 -0.12 -0.29 0.00 1.88 0.00 0.00 57.90 59.34 3cv5 n TYR 269 Cb 0.64 0.00 0.15 0.00 -0.38 0.00 0.00 39.34 39.75 3cv5 n TYR 269 CO 0.00 0.00 0.00 0.16 -2.08 0.00 0.00 176.86 174.94 3cv5 s ASP 270 N -1.66 3.27 0.17 9.48 1.47 -1.26 -4.63 116.67 123.52 3cv5 s ASP 270 Ca 0.34 0.75 -0.12 0.00 1.18 0.00 0.00 52.55 54.71 3cv5 s ASP 270 Cb 0.20 -1.16 0.07 0.00 -0.34 0.00 0.00 42.92 41.69 3cv5 s ASP 270 CO 0.29 -2.68 1.71 0.40 0.68 0.00 0.00 175.17 175.58 3cv5 h ILE 271 N -1.59 1.24 -0.07 2.11 2.04 -1.89 -2.35 117.51 117.01 3cv5 h ILE 271 Ca -0.48 -0.78 0.02 0.00 1.00 0.00 0.00 64.86 64.62 3cv5 h ILE 271 Cb 1.31 0.62 -0.00 0.00 -0.74 0.00 0.00 36.82 38.01 3cv5 h ILE 271 CO 0.54 0.30 0.14 -0.65 0.00 0.00 0.00 178.15 178.48 3cv5 h PRO 272 N 0.84 0.00 -0.15 2.37 0.11 -1.87 -2.08 132.00 131.21 3cv5 h PRO 272 Ca 0.20 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.28 3cv5 h PRO 272 Cb 0.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 3cv5 h PRO 272 CO -0.01 0.00 -0.05 0.72 -0.21 0.00 0.00 178.00 178.45 3cv5 n HIS 273 N -3.42 0.54 0.00 0.65 8.25 -0.90 -3.85 115.22 116.49 3cv5 n HIS 273 Ca -0.01 -1.07 0.00 0.00 -0.26 0.00 0.00 57.72 56.38 3cv5 n HIS 273 Cb 0.22 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.06 3cv5 n HIS 273 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3cv5 n THR 274 N -0.99 0.00 0.17 1.59 -2.24 -0.79 -4.59 114.28 107.43 3cv5 n THR 274 Ca 0.21 -0.20 0.08 0.00 -2.27 0.00 0.00 64.05 61.86 3cv5 n THR 274 Cb 0.80 0.73 0.08 0.00 -2.10 0.00 0.00 70.33 69.84 3cv5 n THR 274 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3cv5 n GLY 276 N 1.17 -1.89 0.17 0.00 0.00 -1.26 -3.49 105.19 99.89 3cv5 n GLY 276 Ca 0.02 -1.22 0.13 0.00 0.00 0.00 0.00 46.02 44.95 3cv5 n GLY 276 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cv5 h PRO 277 N 0.00 0.00 -4.38 1.61 0.13 -1.93 -3.42 132.00 124.00 3cv5 h PRO 277 Ca 0.00 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.41 3cv5 h PRO 277 Cb 0.00 0.00 -0.29 0.00 0.13 0.00 0.00 31.00 30.84 3cv5 h PRO 277 CO 0.00 0.00 -0.44 0.34 -0.23 0.00 0.00 178.00 177.67 3cv5 s ASP 278 N -5.03 5.63 0.52 1.44 -1.08 -1.26 -3.33 116.67 113.56 3cv5 s ASP 278 Ca 0.06 -1.74 0.25 0.00 -0.52 0.00 0.00 52.55 50.60 3cv5 s ASP 278 Cb 0.09 -1.98 1.41 0.00 -1.46 0.00 0.00 42.92 40.98 3cv5 s ASP 278 CO 0.54 -0.61 2.08 1.55 0.52 0.00 0.00 175.17 179.25 3cv5 h PRO 279 N 8.39 0.00 0.00 4.34 0.13 -1.79 -1.13 132.00 141.95 3cv5 h PRO 279 Ca -0.21 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.85 3cv5 h PRO 279 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 3cv5 h PRO 279 CO 0.80 0.12 -0.32 -0.22 -0.23 0.00 0.00 178.00 178.14 3cv5 h LYS 280 N 0.00 0.00 0.00 0.86 3.64 -1.92 0.01 116.57 119.15 3cv5 h LYS 280 Ca -0.00 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 3cv5 h LYS 280 Cb 0.29 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.10 3cv5 h LYS 280 CO 0.02 0.32 -0.21 0.28 -2.27 0.00 0.00 179.45 177.59 3cv5 h VAL 281 N 0.00 1.53 -0.50 2.00 2.07 -1.65 -3.36 116.25 116.33 3cv5 h VAL 281 Ca -0.00 -2.23 0.04 0.00 0.82 0.00 0.00 66.70 65.33 3cv5 h VAL 281 Cb 0.58 2.97 -0.03 0.00 -1.52 0.00 0.00 31.29 33.29 3cv5 h VAL 281 CO 0.04 0.52 0.33 0.00 0.02 0.00 0.00 177.57 178.49 3cv5 n GLN 284 N -4.53 0.18 -0.42 0.00 6.02 -0.27 -2.11 117.38 116.26 3cv5 n GLN 284 Ca -0.02 0.14 0.08 0.00 -0.01 0.00 0.00 57.00 57.20 3cv5 n GLN 284 Cb 0.11 -1.50 0.25 0.00 1.02 0.00 0.00 30.24 30.12 3cv5 n GLN 284 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3cv5 n PHE 285 N -1.34 0.91 -3.48 1.08 3.72 -0.01 -4.24 117.46 114.10 3cv5 n PHE 285 Ca 0.07 -0.81 -0.43 0.00 -0.05 0.00 0.00 57.45 56.24 3cv5 n PHE 285 Cb 0.16 -0.27 -0.06 0.00 -0.94 0.00 0.00 39.48 38.36 3cv5 n PHE 285 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3cv5 s ASP 286 N -1.73 6.00 0.00 4.37 -1.08 -0.90 -4.95 116.67 118.39 3cv5 s ASP 286 Ca 0.40 -2.33 0.20 0.00 -0.52 0.00 0.00 52.55 50.30 3cv5 s ASP 286 Cb 0.31 -2.07 1.16 0.00 -1.46 0.00 0.00 42.92 40.86 3cv5 s ASP 286 CO 0.10 -0.62 1.61 0.49 0.52 0.00 0.00 175.17 177.28 3cv5 n PHE 287 N 4.38 0.00 1.43 -5.34 3.72 -1.26 -1.79 117.46 118.60 3cv5 n PHE 287 Ca 0.01 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.55 3cv5 n PHE 287 Cb 0.42 -0.07 0.74 0.00 -0.94 0.00 0.00 39.48 39.63 3cv5 n PHE 287 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 3cv5 n LYS 288 N -1.07 0.49 -1.18 -1.08 4.81 -1.26 -4.23 118.16 114.64 3cv5 n LYS 288 Ca 0.14 0.01 -0.22 0.00 -0.87 0.00 0.00 58.31 57.37 3cv5 n LYS 288 Cb 0.09 -1.50 0.18 0.00 0.02 0.00 0.00 35.03 33.82 3cv5 n LYS 288 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3cv5 n ARG 289 N -1.24 2.22 0.00 1.64 1.74 -0.74 -4.49 116.66 115.80 3cv5 n ARG 289 Ca 0.15 -3.06 0.12 0.00 -0.77 0.00 0.00 57.85 54.28 3cv5 n ARG 289 Cb 0.21 -2.14 0.16 0.00 -1.02 0.00 0.00 32.46 29.67 3cv5 n ARG 289 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3cv5 n MET 290 N -1.13 0.03 0.00 5.56 2.81 -1.26 -4.36 117.12 118.77 3cv5 n MET 290 Ca 0.56 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.46 3cv5 n MET 290 Cb 1.53 -1.51 0.00 0.00 -0.71 0.00 0.00 33.22 32.52 3cv5 n MET 290 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3cv5 n GLY 291 N 1.48 4.13 0.19 3.03 0.00 -1.24 -4.99 105.19 107.80 3cv5 n GLY 291 Ca 0.05 -0.75 0.14 0.00 0.00 0.00 0.00 46.02 45.46 3cv5 n GLY 291 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3cv5 h SER 292 N 0.77 0.00 -0.34 1.61 4.64 -1.89 -1.35 113.55 116.99 3cv5 h SER 292 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3cv5 h SER 292 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3cv5 h SER 292 CO 0.00 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.45 3cv5 n PHE 293 N -2.53 0.44 -1.32 4.77 3.72 -1.26 -4.95 117.46 116.32 3cv5 n PHE 293 Ca 0.01 -0.22 -0.08 0.00 -0.05 0.00 0.00 57.45 57.11 3cv5 n PHE 293 Cb 0.22 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.72 3cv5 n PHE 293 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3cv5 n GLY 294 N 1.40 0.94 3.42 1.37 0.00 -0.51 -5.03 105.19 106.77 3cv5 n GLY 294 Ca 0.18 -0.65 -0.28 0.00 0.00 0.00 0.00 46.02 45.27 3cv5 n GLY 294 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cv5 s LEU 295 N -1.94 2.44 0.27 0.99 1.43 -1.26 -5.06 118.68 115.55 3cv5 s LEU 295 Ca 0.00 -0.77 -0.03 0.00 -1.03 0.00 0.00 54.13 52.30 3cv5 s LEU 295 Cb 0.00 -1.25 -0.02 0.00 0.03 0.00 0.00 46.19 44.95 3cv5 s LEU 295 CO 0.00 0.15 0.33 -0.94 0.23 0.00 0.00 176.35 176.12 3cv5 s SER 296 N -2.36 0.58 -0.29 2.29 1.04 -1.26 -3.61 113.70 110.08 3cv5 s SER 296 Ca 0.18 -1.38 -0.12 0.00 0.48 0.00 0.00 55.95 55.10 3cv5 s SER 296 Cb -0.09 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 3cv5 s SER 296 CO 0.08 -1.07 0.25 0.00 0.98 0.00 0.00 173.24 173.48 3cv5 h PRO 298 N 8.35 0.00 -0.03 0.00 0.11 -1.98 -0.70 132.00 137.75 3cv5 h PRO 298 Ca -0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.78 3cv5 h PRO 298 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 3cv5 h PRO 298 CO 0.59 0.00 0.00 0.91 -0.21 0.00 0.00 178.00 179.29 3cv5 n TRP 299 N -3.71 0.03 -0.98 0.65 8.01 -1.26 -4.93 117.44 115.26 3cv5 n TRP 299 Ca 0.01 -0.01 0.00 0.00 -1.31 0.00 0.00 57.50 56.18 3cv5 n TRP 299 Cb 0.28 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.58 3cv5 n TRP 299 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 3cv5 n LYS 300 N -0.49 -0.23 -3.98 -0.99 5.02 -0.27 -5.00 118.16 112.22 3cv5 n LYS 300 Ca 0.19 0.06 -0.34 0.00 -2.02 0.00 0.00 58.31 56.20 3cv5 n LYS 300 Cb 0.19 -3.17 -0.15 0.00 -0.02 0.00 0.00 35.03 31.88 3cv5 n LYS 300 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3cv5 s VAL 301 N -2.34 2.83 0.62 -0.18 1.01 -1.26 -5.05 120.40 116.02 3cv5 s VAL 301 Ca 0.00 -0.94 -0.09 0.00 0.00 0.00 0.00 61.98 60.95 3cv5 s VAL 301 Cb 0.00 -2.39 -0.00 0.00 0.00 0.00 0.00 36.38 33.99 3cv5 s VAL 301 CO 0.00 0.28 0.97 -2.16 0.00 0.00 0.00 175.10 174.19 3cv5 s PRO 302 N 1.34 3.09 0.65 2.72 0.04 -1.26 -4.53 135.00 137.05 3cv5 s PRO 302 Ca 0.02 0.30 -0.17 0.00 0.04 0.00 0.00 61.00 61.19 3cv5 s PRO 302 Cb -0.16 -2.17 -0.00 0.00 0.04 0.00 0.00 34.50 32.21 3cv5 s PRO 302 CO -0.05 -0.73 1.18 -2.14 0.04 0.00 0.00 177.00 175.29 3cv5 s PRO 303 N -5.12 2.66 0.00 0.56 0.02 -1.26 -4.74 135.00 127.12 3cv5 s PRO 303 Ca 0.55 1.68 0.07 0.00 0.02 0.00 0.00 61.00 63.31 3cv5 s PRO 303 Cb -0.11 -1.91 -0.02 0.00 0.02 0.00 0.00 34.50 32.49 3cv5 s PRO 303 CO 0.49 -1.41 -0.22 1.03 -0.33 0.00 0.00 177.00 176.55 3cv5 s ARG 304 N -3.72 1.72 0.24 5.54 0.52 -1.26 -4.82 118.95 117.16 3cv5 s ARG 304 Ca 0.73 -0.86 -0.31 0.00 -0.52 0.00 0.00 55.73 54.77 3cv5 s ARG 304 Cb -0.27 -1.72 -0.13 0.00 0.52 0.00 0.00 34.95 33.35 3cv5 s ARG 304 CO 0.39 0.46 1.46 2.41 0.02 0.00 0.00 175.30 180.04 3cv5 n THR 305 N 2.32 0.84 -2.59 0.02 -1.04 -1.26 -4.93 114.28 107.65 3cv5 n THR 305 Ca -0.16 -0.21 -0.42 0.00 -2.04 0.00 0.00 64.05 61.22 3cv5 n THR 305 Cb 0.52 -1.56 -0.03 0.00 -1.82 0.00 0.00 70.33 67.44 3cv5 n THR 305 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3cv5 s ILE 306 N 0.07 4.34 0.24 12.58 -1.09 -1.26 -4.97 121.20 131.12 3cv5 s ILE 306 Ca 0.69 1.79 0.01 0.00 -2.23 0.00 0.00 60.65 60.91 3cv5 s ILE 306 Cb -0.63 -4.15 -0.05 0.00 -1.58 0.00 0.00 42.46 36.06 3cv5 s ILE 306 CO 0.48 0.20 0.07 -0.94 -1.23 0.00 0.00 174.94 173.53 3cv5 s SER 307 N 0.58 1.25 0.58 3.58 1.04 -1.26 -5.00 113.70 114.48 3cv5 s SER 307 Ca 0.52 -1.34 0.28 0.00 0.48 0.00 0.00 55.95 55.89 3cv5 s SER 307 Cb -0.26 0.14 1.76 0.00 0.10 0.00 0.00 66.02 67.77 3cv5 s SER 307 CO 0.30 -0.69 2.24 0.44 0.98 0.00 0.00 173.24 176.52 3cv5 h ASP 308 N 2.43 0.00 1.30 7.02 3.32 -2.00 -0.97 116.42 127.52 3cv5 h ASP 308 Ca -0.38 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.56 3cv5 h ASP 308 Cb 1.24 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.77 3cv5 h ASP 308 CO 0.62 0.00 -0.73 1.56 -1.72 0.00 0.00 179.24 178.96 3cv5 h GLN 309 N 0.00 0.00 -0.01 3.56 7.50 -1.99 -3.36 115.11 120.81 3cv5 h GLN 309 Ca 0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3cv5 h GLN 309 Cb 0.01 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.54 3cv5 h GLN 309 CO -0.00 0.38 -0.06 0.27 -1.50 0.00 0.00 178.83 177.93 3cv5 n ASN 310 N -3.10 1.33 -0.02 1.46 0.23 -1.03 -4.74 115.26 109.40 3cv5 n ASN 310 Ca -0.01 -1.17 -0.01 0.00 -0.53 0.00 0.00 54.58 52.87 3cv5 n ASN 310 Cb 0.74 0.19 0.28 0.00 -2.08 0.00 0.00 39.78 38.91 3cv5 n ASN 310 CO 0.00 0.00 0.00 1.62 -0.93 0.00 0.00 177.26 177.95 3cv5 h VAL 311 N 1.11 1.20 -0.13 3.53 3.04 -1.34 -0.70 116.25 122.96 3cv5 h VAL 311 Ca 0.00 -0.78 -0.01 0.00 -1.01 0.00 0.00 66.70 64.90 3cv5 h VAL 311 Cb 0.26 0.90 -0.01 0.00 -2.01 0.00 0.00 31.29 30.44 3cv5 h VAL 311 CO 0.00 0.27 0.05 0.00 -1.01 0.00 0.00 177.57 176.88 3cv5 h ALA 312 N 1.48 0.17 -0.45 3.17 0.00 -1.85 -0.19 119.26 121.59 3cv5 h ALA 312 Ca 0.12 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3cv5 h ALA 312 Cb 0.32 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3cv5 h ALA 312 CO 0.01 -0.24 -0.04 0.00 0.00 0.00 0.00 179.25 178.97 3cv5 h ALA 313 N 0.89 0.61 -0.54 0.00 0.00 -1.80 -0.87 119.26 117.55 3cv5 h ALA 313 Ca 0.04 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 3cv5 h ALA 313 Cb 0.18 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 3cv5 h ALA 313 CO -0.00 0.45 0.26 0.00 0.00 0.00 0.00 179.25 179.96 3cv5 h ARG 314 N 0.66 0.77 -0.54 0.00 2.47 -1.11 -2.25 114.38 114.39 3cv5 h ARG 314 Ca 0.12 -0.11 -0.07 0.00 -1.26 0.00 0.00 59.98 58.66 3cv5 h ARG 314 Cb 0.56 -0.14 -0.02 0.00 -1.65 0.00 0.00 29.97 28.72 3cv5 h ARG 314 CO 0.03 0.64 0.04 0.77 0.56 0.00 0.00 179.97 182.01 3cv5 h SER 315 N 0.72 0.85 -0.40 7.04 0.02 -0.91 -0.50 113.55 120.37 3cv5 h SER 315 Ca 0.19 -0.20 0.05 0.00 -0.84 0.00 0.00 61.79 60.99 3cv5 h SER 315 Cb 0.11 -0.22 -0.05 0.00 0.14 0.00 0.00 62.40 62.38 3cv5 h SER 315 CO -0.02 0.88 0.12 0.44 -1.14 0.00 0.00 176.83 177.11 3cv5 h ASP 316 N 0.83 0.11 -0.29 3.07 3.32 -0.79 0.69 116.42 123.36 3cv5 h ASP 316 Ca 0.16 0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.20 3cv5 h ASP 316 Cb 0.43 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 3cv5 h ASP 316 CO 0.02 0.10 -0.07 -0.07 -1.72 0.00 0.00 179.24 177.49 3cv5 h LEU 317 N 0.28 0.57 -0.13 1.55 3.38 -0.96 -2.59 115.31 117.41 3cv5 h LEU 317 Ca 0.19 -0.37 -0.10 0.00 0.09 0.00 0.00 57.88 57.69 3cv5 h LEU 317 Cb 0.18 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3cv5 h LEU 317 CO -0.20 0.80 -0.30 0.25 0.09 0.00 0.00 178.44 179.08 3cv5 h LEU 318 N 0.32 0.49 -1.07 1.67 5.85 -0.84 -2.66 115.31 119.08 3cv5 h LEU 318 Ca 0.07 -0.57 -0.02 0.00 0.84 0.00 0.00 57.88 58.20 3cv5 h LEU 318 Cb 0.56 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.41 3cv5 h LEU 318 CO 0.03 0.97 0.41 0.58 -0.34 0.00 0.00 178.44 180.09 3cv5 h VAL 319 N 0.03 1.23 -0.66 1.05 2.07 -0.93 -0.68 116.25 118.35 3cv5 h VAL 319 Ca -0.00 -0.58 0.03 0.00 0.82 0.00 0.00 66.70 66.97 3cv5 h VAL 319 Cb 0.90 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 3cv5 h VAL 319 CO 0.07 0.26 0.41 -0.78 0.02 0.00 0.00 177.57 177.54 3cv5 h ASP 320 N 1.06 0.66 -0.01 0.57 3.58 -1.39 0.61 116.42 121.50 3cv5 h ASP 320 Ca 0.27 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.72 3cv5 h ASP 320 Cb 0.04 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 40.95 3cv5 h ASP 320 CO -0.04 0.46 -0.00 1.56 -2.88 0.00 0.00 179.24 178.33 3cv5 h GLN 321 N 0.79 0.00 -0.56 0.28 1.08 -1.00 -1.59 115.11 114.12 3cv5 h GLN 321 Ca 0.27 -0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.53 3cv5 h GLN 321 Cb 0.03 -0.00 -0.05 0.00 -0.05 0.00 0.00 27.48 27.41 3cv5 h GLN 321 CO -0.11 0.00 0.25 -1.49 -0.95 0.00 0.00 178.83 176.54 3cv5 h TRP 322 N 0.00 0.46 -0.13 2.96 6.55 -0.85 -0.41 115.95 124.53 3cv5 h TRP 322 Ca 0.01 0.02 -0.09 0.00 0.95 0.00 0.00 58.89 59.78 3cv5 h TRP 322 Cb 0.01 -0.12 -0.01 0.00 -0.86 0.00 0.00 29.16 28.17 3cv5 h TRP 322 CO -0.09 0.19 -0.31 0.87 -1.05 0.00 0.00 178.44 178.05 3cv5 h LYS 323 N 0.48 0.25 0.24 0.49 1.57 -0.72 0.52 116.57 119.41 3cv5 h LYS 323 Ca 0.26 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 3cv5 h LYS 323 Cb 0.22 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.52 3cv5 h LYS 323 CO -0.21 0.54 -0.12 0.87 -0.57 0.00 0.00 179.45 179.96 3cv5 h LYS 324 N 0.22 -0.31 -0.93 3.15 1.57 -0.94 -2.77 116.57 116.56 3cv5 h LYS 324 Ca 0.03 0.02 0.13 0.00 -1.87 0.00 0.00 60.65 58.96 3cv5 h LYS 324 Cb 0.67 0.07 -0.09 0.00 0.08 0.00 0.00 32.23 32.96 3cv5 h LYS 324 CO 0.05 -0.05 0.55 -0.22 -0.57 0.00 0.00 179.45 179.21 3cv5 h LYS 325 N -0.56 0.83 0.00 3.15 3.64 -0.76 -2.03 116.57 120.84 3cv5 h LYS 325 Ca -0.03 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.29 3cv5 h LYS 325 Cb 0.41 -0.19 -0.00 0.00 -0.41 0.00 0.00 32.23 32.04 3cv5 h LYS 325 CO 0.05 0.55 -0.05 0.00 -2.27 0.00 0.00 179.45 177.73 3cv5 h ALA 326 N 1.53 1.46 0.00 5.00 0.00 -0.80 -1.86 119.26 124.60 3cv5 h ALA 326 Ca 0.48 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3cv5 h ALA 326 Cb 0.53 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3cv5 h ALA 326 CO -0.29 0.07 0.00 0.93 0.00 0.00 0.00 179.25 179.96 3cv5 h GLU 327 N 0.00 0.00 -0.01 0.00 4.39 -1.07 -2.62 114.58 115.28 3cv5 h GLU 327 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3cv5 h GLU 327 Cb 0.14 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.79 3cv5 h GLU 327 CO 0.01 0.00 -0.12 1.28 -1.16 0.00 0.00 179.01 179.01 3cv5 n LEU 328 N -3.03 0.66 -4.30 1.33 4.77 -0.70 -4.90 117.00 110.83 3cv5 n LEU 328 Ca -0.01 -0.10 -0.16 0.00 -0.03 0.00 0.00 56.01 55.71 3cv5 n LEU 328 Cb 0.16 -0.14 -0.10 0.00 -2.33 0.00 0.00 43.42 41.01 3cv5 n LEU 328 CO 0.22 0.12 -0.37 -0.31 -1.33 0.00 0.00 177.39 175.73 3cv5 s TYR 329 N -2.41 1.44 -0.36 -1.77 2.02 -0.99 -4.45 117.35 110.84 3cv5 s TYR 329 Ca 0.30 -0.84 0.23 0.00 -0.37 0.00 0.00 57.07 56.38 3cv5 s TYR 329 Cb 0.20 -0.79 -0.01 0.00 -0.40 0.00 0.00 41.96 40.96 3cv5 s TYR 329 CO 0.46 0.02 0.97 0.54 -1.57 0.00 0.00 175.55 175.98 3cv5 n ARG 330 N -0.32 0.49 -3.68 -0.62 1.74 -1.26 -4.97 116.66 108.02 3cv5 n ARG 330 Ca -0.07 0.03 -0.24 0.00 -0.77 0.00 0.00 57.85 56.79 3cv5 n ARG 330 Cb 0.62 -1.69 0.00 0.00 -1.02 0.00 0.00 32.46 30.38 3cv5 n ARG 330 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3cv5 s THR 331 N -3.32 1.85 -0.38 0.55 -4.23 -1.26 -4.73 115.64 104.13 3cv5 s THR 331 Ca 0.00 -1.38 0.07 0.00 -1.18 0.00 0.00 61.69 59.20 3cv5 s THR 331 Cb 0.12 -2.23 0.57 0.00 1.34 0.00 0.00 72.50 72.30 3cv5 s THR 331 CO 0.81 0.00 1.60 -0.46 -0.54 0.00 0.00 174.62 176.03 3cv5 n ASN 332 N -1.84 4.09 -4.26 3.99 6.94 -1.26 -4.85 115.26 118.07 3cv5 n ASN 332 Ca 0.02 -3.00 -0.33 0.00 -0.02 0.00 0.00 54.58 51.25 3cv5 n ASN 332 Cb 0.63 -0.71 -0.15 0.00 -2.36 0.00 0.00 39.78 37.19 3cv5 n ASN 332 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3cv5 s VAL 333 N -2.46 2.72 -0.10 3.53 1.01 -1.26 -0.19 120.40 123.65 3cv5 s VAL 333 Ca 0.43 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.71 3cv5 s VAL 333 Cb 0.35 -2.16 0.00 0.00 0.00 0.00 0.00 36.38 34.57 3cv5 s VAL 333 CO 0.10 0.51 -0.24 -0.22 0.00 0.00 0.00 175.10 175.25 3cv5 s LEU 334 N 0.92 2.07 -0.21 3.92 2.96 0.64 -4.97 118.68 124.01 3cv5 s LEU 334 Ca -0.03 -0.55 -0.16 0.00 -0.22 0.00 0.00 54.13 53.17 3cv5 s LEU 334 Cb -0.15 -1.39 -0.04 0.00 0.50 0.00 0.00 46.19 45.12 3cv5 s LEU 334 CO -0.02 0.16 0.41 -0.22 -1.32 0.00 0.00 176.35 175.36 3cv5 s LEU 335 N 0.33 4.14 -0.46 -0.68 2.96 -1.26 -1.09 118.68 122.62 3cv5 s LEU 335 Ca -0.18 0.51 0.03 0.00 -0.22 0.00 0.00 54.13 54.27 3cv5 s LEU 335 Cb -0.18 -2.53 0.12 0.00 0.50 0.00 0.00 46.19 44.11 3cv5 s LEU 335 CO 0.09 -0.10 0.21 -0.63 -1.32 0.00 0.00 176.35 174.59 3cv5 s ILE 336 N 1.45 2.14 0.47 6.68 -1.09 -0.10 -4.97 121.20 125.78 3cv5 s ILE 336 Ca 0.19 -2.86 -0.24 0.00 -2.23 0.00 0.00 60.65 55.50 3cv5 s ILE 336 Cb -0.15 -2.51 -0.08 0.00 -1.58 0.00 0.00 42.46 38.15 3cv5 s ILE 336 CO 0.08 -0.79 1.43 -2.65 -1.23 0.00 0.00 174.94 171.79 3cv5 n PRO 337 N 3.50 2.15 -3.68 2.79 -0.02 -1.26 -0.77 135.00 137.71 3cv5 n PRO 337 Ca 0.05 0.77 -0.29 0.00 -2.02 0.00 0.00 63.50 62.01 3cv5 n PRO 337 Cb 0.35 -2.64 -0.13 0.00 -0.02 0.00 0.00 33.50 31.06 3cv5 n PRO 337 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3cv5 s LEU 338 N -2.91 2.46 0.00 2.45 2.96 0.28 -4.73 118.68 119.20 3cv5 s LEU 338 Ca 0.64 -2.54 -0.22 0.00 -0.22 0.00 0.00 54.13 51.79 3cv5 s LEU 338 Cb -0.44 -0.95 0.07 0.00 0.50 0.00 0.00 46.19 45.37 3cv5 s LEU 338 CO 0.56 -0.28 0.98 0.61 -1.32 0.00 0.00 176.35 176.90 3cv5 n GLY 339 N 3.65 0.20 1.14 7.98 0.00 -1.26 -1.55 105.19 115.34 3cv5 n GLY 339 Ca 0.09 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.15 3cv5 n GLY 339 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3cv5 n ASP 340 N -0.74 -0.41 -4.69 1.61 -0.08 -1.25 -3.24 116.55 107.74 3cv5 n ASP 340 Ca 0.05 -1.15 -0.42 0.00 -1.51 0.00 0.00 54.79 51.76 3cv5 n ASP 340 Cb 0.42 0.65 -0.03 0.00 2.34 0.00 0.00 41.12 44.50 3cv5 n ASP 340 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 3cv5 s ASP 341 N -1.78 6.67 -1.41 1.67 1.11 -1.26 -1.51 116.67 120.17 3cv5 s ASP 341 Ca 0.08 2.40 -0.11 0.00 0.18 0.00 0.00 52.55 55.10 3cv5 s ASP 341 Cb -0.00 -2.57 0.08 0.00 1.07 0.00 0.00 42.92 41.50 3cv5 s ASP 341 CO 0.01 -0.82 0.64 0.49 1.18 0.00 0.00 175.17 176.66 3cv5 n PHE 342 N 5.23 -1.90 -1.66 4.23 3.72 0.89 -4.82 117.46 123.16 3cv5 n PHE 342 Ca 0.15 0.61 -0.29 0.00 -0.05 0.00 0.00 57.45 57.86 3cv5 n PHE 342 Cb 0.41 -3.26 0.12 0.00 -0.94 0.00 0.00 39.48 35.81 3cv5 n PHE 342 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 3cv5 s ARG 343 N -6.24 1.35 -1.16 -1.08 1.81 -1.15 -4.41 118.95 108.08 3cv5 s ARG 343 Ca 0.50 0.21 -0.06 0.00 -1.72 0.00 0.00 55.73 54.66 3cv5 s ARG 343 Cb -0.26 -1.87 0.01 0.00 -0.45 0.00 0.00 34.95 32.38 3cv5 s ARG 343 CO 0.61 -2.03 1.00 1.19 -0.68 0.00 0.00 175.30 175.38 3cv5 n PHE 344 N -3.64 -2.37 0.00 -0.53 3.72 -1.26 -4.75 117.46 108.64 3cv5 n PHE 344 Ca 0.07 0.88 -0.22 0.00 -0.05 0.00 0.00 57.45 58.14 3cv5 n PHE 344 Cb 0.60 -4.62 -0.14 0.00 -0.94 0.00 0.00 39.48 34.38 3cv5 n PHE 344 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3cv5 h LYS 345 N -2.18 0.24 -6.06 -1.08 3.64 -1.89 -3.39 116.57 105.86 3cv5 h LYS 345 Ca -0.51 -0.42 -0.65 0.00 -1.27 0.00 0.00 60.65 57.80 3cv5 h LYS 345 Cb 1.32 0.16 -0.10 0.00 -0.41 0.00 0.00 32.23 33.19 3cv5 h LYS 345 CO 0.48 1.20 -0.59 -0.65 -2.27 0.00 0.00 179.45 177.62 3cv5 s GLN 346 N -2.52 2.99 0.26 1.90 -0.21 -1.26 -4.13 119.66 116.68 3cv5 s GLN 346 Ca -0.22 -0.54 -0.03 0.00 0.02 0.00 0.00 55.36 54.59 3cv5 s GLN 346 Cb 0.06 -2.80 0.43 0.00 1.00 0.00 0.00 33.01 31.69 3cv5 s GLN 346 CO 0.76 0.63 1.84 -0.91 -2.12 0.00 0.00 175.29 175.48 3cv5 h ASN 347 N 3.98 0.83 -0.09 5.90 2.35 -1.95 -0.78 115.58 125.83 3cv5 h ASN 347 Ca -0.49 0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.30 3cv5 h ASN 347 Cb 1.18 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 39.41 3cv5 h ASN 347 CO 0.62 0.49 0.05 0.71 -1.65 0.00 0.00 177.43 177.65 3cv5 h THR 348 N 0.94 1.03 -0.15 2.81 1.35 -1.99 -1.26 112.91 115.64 3cv5 h THR 348 Ca 0.43 -0.08 -0.14 0.00 -0.55 0.00 0.00 66.41 66.06 3cv5 h THR 348 Cb 0.33 0.90 0.00 0.00 -1.73 0.00 0.00 68.15 67.65 3cv5 h THR 348 CO -0.23 0.04 -0.46 -0.08 -0.25 0.00 0.00 175.52 174.54 3cv5 h GLU 349 N 0.13 0.57 -0.54 4.72 4.81 -1.56 -0.64 114.58 122.07 3cv5 h GLU 349 Ca 0.04 -0.42 0.07 0.00 -0.13 0.00 0.00 59.36 58.92 3cv5 h GLU 349 Cb 0.01 0.07 -0.06 0.00 0.63 0.00 0.00 28.75 29.40 3cv5 h GLU 349 CO -0.01 1.04 0.22 -1.49 -0.73 0.00 0.00 179.01 178.04 3cv5 h TRP 350 N 0.21 0.39 -0.33 0.92 4.06 -0.94 -1.74 115.95 118.52 3cv5 h TRP 350 Ca -0.01 0.03 -0.03 0.00 2.06 0.00 0.00 58.89 60.93 3cv5 h TRP 350 Cb 1.08 -0.09 -0.01 0.00 -1.00 0.00 0.00 29.16 29.13 3cv5 h TRP 350 CO 0.10 0.14 0.08 -0.44 -3.56 0.00 0.00 178.44 174.76 3cv5 h ASP 351 N 0.42 0.50 -0.37 -3.49 3.32 -1.16 -1.42 116.42 114.22 3cv5 h ASP 351 Ca 0.26 -0.23 -0.10 0.00 0.02 0.00 0.00 57.03 56.98 3cv5 h ASP 351 Cb 0.26 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 3cv5 h ASP 351 CO -0.24 0.60 -0.12 1.62 -1.72 0.00 0.00 179.24 179.38 3cv5 h VAL 352 N 0.38 1.26 0.14 -1.35 3.04 -0.78 -0.44 116.25 118.50 3cv5 h VAL 352 Ca 0.10 -1.20 -0.01 0.00 -1.01 0.00 0.00 66.70 64.58 3cv5 h VAL 352 Cb 0.29 1.04 0.00 0.00 -2.01 0.00 0.00 31.29 30.62 3cv5 h VAL 352 CO 0.00 0.41 -0.07 1.56 -1.01 0.00 0.00 177.57 178.47 3cv5 h GLN 353 N 0.74 -0.18 -0.10 4.17 1.08 -1.29 -3.18 115.11 116.35 3cv5 h GLN 353 Ca 0.12 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 3cv5 h GLN 353 Cb 0.62 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.08 3cv5 h GLN 353 CO 0.04 0.25 0.06 -0.09 -0.95 0.00 0.00 178.83 178.15 3cv5 h ARG 354 N -0.72 0.12 -0.43 1.46 2.43 -1.20 -1.53 114.38 114.51 3cv5 h ARG 354 Ca -0.02 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.08 3cv5 h ARG 354 Cb 0.52 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.03 3cv5 h ARG 354 CO 0.03 0.08 0.03 0.28 -1.51 0.00 0.00 179.97 178.89 3cv5 h VAL 355 N 0.12 1.25 -0.39 0.20 2.07 -1.21 0.39 116.25 118.69 3cv5 h VAL 355 Ca 0.04 -0.96 -0.08 0.00 0.82 0.00 0.00 66.70 66.51 3cv5 h VAL 355 Cb -0.01 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 3cv5 h VAL 355 CO -0.02 0.33 -0.09 0.78 0.02 0.00 0.00 177.57 178.60 3cv5 h ASN 356 N 0.58 0.75 -0.65 0.57 2.35 -1.54 -1.60 115.58 116.04 3cv5 h ASN 356 Ca 0.13 -0.36 -0.05 0.00 -0.55 0.00 0.00 56.30 55.46 3cv5 h ASN 356 Cb 0.44 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.57 3cv5 h ASN 356 CO 0.02 0.94 0.20 1.88 -1.65 0.00 0.00 177.43 178.81 3cv5 h TYR 357 N 0.56 1.06 -0.87 1.19 -1.99 -1.12 -2.01 116.97 113.79 3cv5 h TYR 357 Ca 0.10 -0.11 0.04 0.00 2.00 0.00 0.00 58.73 60.76 3cv5 h TYR 357 Cb 0.60 -0.31 -0.05 0.00 2.00 0.00 0.00 36.73 38.98 3cv5 h TYR 357 CO 0.05 0.86 0.57 0.93 -0.00 0.00 0.00 178.16 180.57 3cv5 h GLU 358 N 0.95 1.03 -0.53 4.88 5.08 -0.66 0.52 114.58 125.85 3cv5 h GLU 358 Ca 0.21 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.42 3cv5 h GLU 358 Cb 0.31 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3cv5 h GLU 358 CO -0.00 0.68 -0.04 0.00 -1.00 0.00 0.00 179.01 178.65 3cv5 h ARG 359 N 1.06 0.93 -0.24 2.33 3.08 -0.98 -1.01 114.38 119.55 3cv5 h ARG 359 Ca 0.35 -0.29 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 3cv5 h ARG 359 Cb 0.05 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 3cv5 h ARG 359 CO -0.11 0.94 0.05 -0.07 -1.07 0.00 0.00 179.97 179.71 3cv5 h LEU 360 N 0.85 0.37 -0.43 3.04 3.38 -0.62 -2.59 115.31 119.31 3cv5 h LEU 360 Ca 0.15 -0.25 0.02 0.00 0.09 0.00 0.00 57.88 57.89 3cv5 h LEU 360 Cb 0.55 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 3cv5 h LEU 360 CO 0.03 0.52 0.25 -0.26 0.09 0.00 0.00 178.44 179.08 3cv5 h PHE 361 N 0.20 0.47 -0.52 1.13 0.04 -0.71 0.22 116.94 117.78 3cv5 h PHE 361 Ca 0.07 0.01 0.02 0.00 2.80 0.00 0.00 57.97 60.88 3cv5 h PHE 361 Cb 0.30 -0.15 -0.03 0.00 2.20 0.00 0.00 35.95 38.27 3cv5 h PHE 361 CO 0.02 0.27 0.31 1.49 -0.60 0.00 0.00 178.31 179.80 3cv5 h GLU 362 N 0.51 0.60 0.36 1.51 4.81 -1.16 -0.20 114.58 121.02 3cv5 h GLU 362 Ca 0.17 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 3cv5 h GLU 362 Cb 0.01 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.26 3cv5 h GLU 362 CO -0.08 0.40 -0.17 1.25 -0.73 0.00 0.00 179.01 179.68 3cv5 h HIS 363 N 0.62 -0.44 -0.66 0.92 2.76 -1.22 -3.06 115.15 114.06 3cv5 h HIS 363 Ca 0.21 -0.01 -0.01 0.00 -2.20 0.00 0.00 60.37 58.36 3cv5 h HIS 363 Cb 0.02 0.15 -0.03 0.00 1.55 0.00 0.00 27.41 29.09 3cv5 h HIS 363 CO -0.06 -0.15 0.39 0.82 -1.30 0.00 0.00 177.93 177.63 3cv5 h ILE 364 N -0.72 1.20 0.00 6.26 2.04 -0.77 -2.24 117.51 123.27 3cv5 h ILE 364 Ca -0.05 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.33 3cv5 h ILE 364 Cb 0.50 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 3cv5 h ILE 364 CO 0.08 0.21 -0.12 0.78 0.00 0.00 0.00 178.15 179.10 3cv5 h ASN 365 N 0.90 0.00 0.19 1.72 2.35 -1.12 -2.72 115.58 116.90 3cv5 h ASN 365 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 3cv5 h ASN 365 Cb -0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3cv5 h ASN 365 CO -0.04 0.12 -0.73 -1.54 -1.65 0.00 0.00 177.43 173.58 3cv5 n SER 366 N -3.25 0.90 -4.38 5.81 3.41 -0.89 -4.75 113.62 110.47 3cv5 n SER 366 Ca 0.01 -0.77 -0.45 0.00 -0.26 0.00 0.00 58.87 57.40 3cv5 n SER 366 Cb 0.38 0.63 -0.03 0.00 -0.26 0.00 0.00 64.21 64.93 3cv5 n SER 366 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3cv5 s GLN 367 N -2.93 3.30 0.40 4.33 -1.52 -0.92 -4.94 119.66 117.38 3cv5 s GLN 367 Ca 0.11 -1.67 0.19 0.00 -1.95 0.00 0.00 55.36 52.03 3cv5 s GLN 367 Cb 0.17 -4.46 1.12 0.00 -0.22 0.00 0.00 33.01 29.62 3cv5 s GLN 367 CO 0.76 -1.55 1.76 0.00 -0.25 0.00 0.00 175.29 176.01 3cv5 h ALA 368 N 8.80 2.24 -0.04 6.09 0.00 -1.85 -1.45 119.26 133.05 3cv5 h ALA 368 Ca -0.10 0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3cv5 h ALA 368 Cb 1.06 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 3cv5 h ALA 368 CO 1.03 -0.67 0.06 1.12 0.00 0.00 0.00 179.25 180.78 3cv5 h HIS 369 N 0.38 0.00 -0.00 0.00 2.07 -1.93 -1.18 115.15 114.49 3cv5 h HIS 369 Ca 0.62 0.00 -0.17 0.00 -2.85 0.00 0.00 60.37 57.96 3cv5 h HIS 369 Cb 1.57 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.54 3cv5 h HIS 369 CO -0.00 0.00 -0.81 0.74 -3.07 0.00 0.00 177.93 174.79 3cv5 h PHE 370 N 0.00 0.12 -6.22 6.12 0.04 -1.56 -3.48 116.94 111.95 3cv5 h PHE 370 Ca 0.02 -0.06 -0.45 0.00 2.80 0.00 0.00 57.97 60.28 3cv5 h PHE 370 Cb 0.14 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 38.27 3cv5 h PHE 370 CO 0.00 0.85 -0.80 0.09 -0.60 0.00 0.00 178.31 177.85 3cv5 n ASN 371 N -3.64 -2.92 -4.22 2.17 3.02 -0.45 -4.87 115.26 104.35 3cv5 n ASN 371 Ca -0.02 -0.81 -0.27 0.00 -0.03 0.00 0.00 54.58 53.45 3cv5 n ASN 371 Cb 0.77 -3.90 -0.15 0.00 -0.61 0.00 0.00 39.78 35.88 3cv5 n ASN 371 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3cv5 s VAL 372 N -3.51 1.63 -0.28 2.41 1.01 -1.26 -0.92 120.40 119.48 3cv5 s VAL 372 Ca 0.33 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.40 3cv5 s VAL 372 Cb -0.17 -1.37 0.07 0.00 0.00 0.00 0.00 36.38 34.92 3cv5 s VAL 372 CO 0.83 0.41 -0.04 -1.58 0.00 0.00 0.00 175.10 174.72 3cv5 s GLN 373 N -0.62 1.80 0.02 2.72 2.00 -0.33 -4.36 119.66 120.89 3cv5 s GLN 373 Ca 0.08 -1.43 0.03 0.00 -2.00 0.00 0.00 55.36 52.04 3cv5 s GLN 373 Cb -0.08 -2.88 -0.04 0.00 0.80 0.00 0.00 33.01 30.81 3cv5 s GLN 373 CO -0.00 -0.71 -0.03 0.00 -0.50 0.00 0.00 175.29 174.04 3cv5 s ALA 374 N 1.12 3.15 0.07 1.58 0.00 -1.26 -1.02 121.76 125.41 3cv5 s ALA 374 Ca -0.01 -1.02 -0.26 0.00 0.00 0.00 0.00 51.96 50.67 3cv5 s ALA 374 Cb -0.19 -1.21 0.09 0.00 0.00 0.00 0.00 23.12 21.81 3cv5 s ALA 374 CO -0.07 0.64 0.75 1.14 0.00 0.00 0.00 175.76 178.22 3cv5 s GLN 375 N -1.63 1.04 0.41 0.00 0.00 -0.46 -4.90 119.66 114.12 3cv5 s GLN 375 Ca 0.19 -0.36 -0.26 0.00 -0.00 0.00 0.00 55.36 54.93 3cv5 s GLN 375 Cb -0.11 0.48 -0.09 0.00 0.00 0.00 0.00 33.01 33.29 3cv5 s GLN 375 CO 0.10 -0.45 1.34 -0.06 0.00 0.00 0.00 175.29 176.22 3cv5 s PHE 376 N -3.36 2.73 0.33 9.60 0.08 -1.26 -0.66 117.98 125.45 3cv5 s PHE 376 Ca 0.03 1.36 -0.03 0.00 0.12 0.00 0.00 56.93 58.41 3cv5 s PHE 376 Cb -0.01 -3.75 0.00 0.00 -0.57 0.00 0.00 43.02 38.69 3cv5 s PHE 376 CO -0.10 -2.33 0.46 0.20 -0.10 0.00 0.00 175.22 173.35 3cv5 s GLY 377 N -0.64 1.47 0.46 4.36 0.00 0.03 -4.76 107.32 108.24 3cv5 s GLY 377 Ca 0.57 -1.51 0.07 0.00 0.00 0.00 0.00 44.72 43.86 3cv5 s GLY 377 CO 0.52 -1.00 0.38 -0.51 0.00 0.00 0.00 173.10 172.49 3cv5 s THR 378 N -3.14 2.30 0.09 0.90 -4.23 -1.26 -4.19 115.64 106.11 3cv5 s THR 378 Ca 0.31 -1.41 -0.18 0.00 -1.18 0.00 0.00 61.69 59.23 3cv5 s THR 378 Cb -0.00 -2.71 -0.07 0.00 1.34 0.00 0.00 72.50 71.06 3cv5 s THR 378 CO 0.20 0.00 1.55 0.25 -0.54 0.00 0.00 174.62 176.08 3cv5 h LEU 379 N 0.95 0.45 -1.06 4.79 5.85 -1.96 -2.47 115.31 121.86 3cv5 h LEU 379 Ca -0.40 -0.28 0.02 0.00 0.84 0.00 0.00 57.88 58.07 3cv5 h LEU 379 Cb 1.28 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 42.13 3cv5 h LEU 379 CO 0.58 0.62 0.63 -0.61 -0.34 0.00 0.00 178.44 179.32 3cv5 h GLN 380 N 0.27 1.22 -0.76 1.25 5.75 -1.96 -1.88 115.11 119.01 3cv5 h GLN 380 Ca 0.08 -0.07 0.02 0.00 -0.15 0.00 0.00 58.65 58.53 3cv5 h GLN 380 Cb 0.37 -0.28 -0.04 0.00 1.07 0.00 0.00 27.48 28.60 3cv5 h GLN 380 CO 0.01 0.81 0.49 0.93 -2.65 0.00 0.00 178.83 178.42 3cv5 h GLU 381 N 1.26 0.95 0.25 1.69 5.08 -1.93 0.89 114.58 122.77 3cv5 h GLU 381 Ca 0.36 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 3cv5 h GLU 381 Cb -0.08 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 28.94 3cv5 h GLU 381 CO -0.09 0.63 -0.24 -0.92 -1.00 0.00 0.00 179.01 177.38 3cv5 h TYR 382 N 0.97 -0.64 -0.32 4.33 3.20 -0.94 -2.23 116.97 121.34 3cv5 h TYR 382 Ca 0.29 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 62.08 3cv5 h TYR 382 Cb -0.04 0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.46 3cv5 h TYR 382 CO -0.03 -0.35 -0.15 0.74 -1.64 0.00 0.00 178.16 176.72 3cv5 h PHE 383 N -0.52 0.61 -0.73 -3.82 0.04 -0.96 -0.94 116.94 110.62 3cv5 h PHE 383 Ca -0.01 -0.11 -0.00 0.00 2.80 0.00 0.00 57.97 60.65 3cv5 h PHE 383 Cb 0.48 -0.16 -0.04 0.00 2.20 0.00 0.00 35.95 38.43 3cv5 h PHE 383 CO -0.16 0.69 0.44 -0.44 -0.60 0.00 0.00 178.31 178.25 3cv5 h ASP 384 N 0.51 0.88 -0.48 2.17 3.32 -0.75 -1.21 116.42 120.87 3cv5 h ASP 384 Ca 0.09 -0.06 -0.12 0.00 0.02 0.00 0.00 57.03 56.96 3cv5 h ASP 384 Cb 0.56 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 3cv5 h ASP 384 CO 0.04 0.69 -0.17 0.00 -1.72 0.00 0.00 179.24 178.07 3cv5 h ALA 385 N 1.23 0.66 -0.44 3.45 0.00 -0.96 -1.01 119.26 122.20 3cv5 h ALA 385 Ca 0.26 -0.37 0.04 0.00 0.00 0.00 0.00 54.91 54.84 3cv5 h ALA 385 Cb -0.04 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 3cv5 h ALA 385 CO -0.05 0.61 0.21 0.28 0.00 0.00 0.00 179.25 180.30 3cv5 h VAL 386 N 0.81 0.94 0.00 0.00 2.07 -0.75 -1.74 116.25 117.58 3cv5 h VAL 386 Ca 0.11 -0.14 -0.10 0.00 0.82 0.00 0.00 66.70 67.39 3cv5 h VAL 386 Cb 0.74 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 3cv5 h VAL 386 CO 0.06 0.08 -0.48 0.45 0.02 0.00 0.00 177.57 177.69 3cv5 h HIS 387 N 0.42 0.00 -0.72 1.57 -0.00 -1.04 -0.79 115.15 114.59 3cv5 h HIS 387 Ca 0.19 0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.56 3cv5 h HIS 387 Cb 0.12 0.00 -0.03 0.00 -0.00 0.00 0.00 27.41 27.50 3cv5 h HIS 387 CO -0.11 0.48 0.45 1.96 -0.00 0.00 0.00 177.93 180.71 3cv5 h GLN 388 N 0.00 0.97 -0.41 2.45 4.20 -0.80 -0.27 115.11 121.24 3cv5 h GLN 388 Ca -0.00 -0.08 -0.05 0.00 0.06 0.00 0.00 58.65 58.58 3cv5 h GLN 388 Cb 0.85 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.41 3cv5 h GLN 388 CO 0.06 0.67 0.06 0.00 -0.67 0.00 0.00 178.83 178.95 3cv5 h ALA 389 N 1.24 0.55 -0.28 3.87 0.00 -0.75 -1.18 119.26 122.71 3cv5 h ALA 389 Ca 0.26 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3cv5 h ALA 389 Cb -0.06 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 3cv5 h ALA 389 CO -0.05 0.27 0.05 1.49 0.00 0.00 0.00 179.25 181.01 3cv5 h GLU 390 N 0.54 0.14 0.00 0.00 4.81 -0.93 -1.55 114.58 117.59 3cv5 h GLU 390 Ca 0.12 -0.01 -0.07 0.00 -0.13 0.00 0.00 59.36 59.27 3cv5 h GLU 390 Cb 0.38 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.72 3cv5 h GLU 390 CO 0.01 0.09 -0.35 0.00 -0.73 0.00 0.00 179.01 178.04 3cv5 h ARG 391 N 0.15 0.00 0.00 1.92 3.08 -0.85 -0.46 114.38 118.21 3cv5 h ARG 391 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3cv5 h ARG 391 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3cv5 h ARG 391 CO -0.18 0.35 0.00 0.00 -1.07 0.00 0.00 179.97 179.07 3cv5 n ALA 392 N -2.43 2.06 -1.09 0.04 0.00 -0.46 -4.85 120.51 113.78 3cv5 n ALA 392 Ca -0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 53.44 53.29 3cv5 n ALA 392 Cb 0.40 -1.28 -0.01 0.00 0.00 0.00 0.00 19.45 18.56 3cv5 n ALA 392 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3cv5 n GLY 393 N 0.11 0.62 0.05 0.00 0.00 -0.18 -4.93 105.19 100.85 3cv5 n GLY 393 Ca 0.11 -0.94 0.13 0.00 0.00 0.00 0.00 46.02 45.32 3cv5 n GLY 393 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cv5 n GLN 394 N -2.91 0.20 -3.57 1.61 10.64 -0.63 -4.90 117.38 117.81 3cv5 n GLN 394 Ca -0.03 -0.10 -0.17 0.00 -1.83 0.00 0.00 57.00 54.87 3cv5 n GLN 394 Cb 0.10 -1.50 -0.06 0.00 -0.86 0.00 0.00 30.24 27.92 3cv5 n GLN 394 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 3cv5 s ALA 395 N -2.88 -1.53 0.07 2.61 0.00 -1.26 -4.87 121.76 113.91 3cv5 s ALA 395 Ca 0.15 1.04 0.08 0.00 0.00 0.00 0.00 51.96 53.23 3cv5 s ALA 395 Cb 0.18 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.33 3cv5 s ALA 395 CO 0.63 -0.36 -0.22 -1.83 0.00 0.00 0.00 175.76 173.99 3cv5 s GLU 396 N -1.36 1.33 0.01 0.00 -1.05 -1.26 -4.64 118.70 111.74 3cv5 s GLU 396 Ca -0.11 -1.05 0.04 0.00 -0.15 0.00 0.00 54.97 53.70 3cv5 s GLU 396 Cb -0.01 -1.52 -0.03 0.00 -0.44 0.00 0.00 34.13 32.12 3cv5 s GLU 396 CO 0.08 0.38 -0.08 -0.06 0.95 0.00 0.00 175.26 176.52 3cv5 s PHE 397 N -0.93 2.86 0.65 4.83 0.08 -1.26 -5.06 117.98 119.14 3cv5 s PHE 397 Ca 0.08 -0.06 -0.14 0.00 0.12 0.00 0.00 56.93 56.93 3cv5 s PHE 397 Cb -0.09 -1.59 -0.01 0.00 -0.57 0.00 0.00 43.02 40.76 3cv5 s PHE 397 CO 0.03 0.36 1.07 -1.25 -0.10 0.00 0.00 175.22 175.33 3cv5 s PRO 398 N -1.44 3.02 0.12 0.24 0.04 -1.26 -4.77 135.00 130.94 3cv5 s PRO 398 Ca 0.17 1.17 -0.03 0.00 0.04 0.00 0.00 61.00 62.34 3cv5 s PRO 398 Cb -0.11 -1.99 -0.05 0.00 0.04 0.00 0.00 34.50 32.39 3cv5 s PRO 398 CO 0.08 -1.05 0.33 0.95 0.04 0.00 0.00 177.00 177.34 3cv5 s THR 399 N -2.64 5.23 -0.04 1.26 -4.23 -1.26 -0.77 115.64 113.19 3cv5 s THR 399 Ca 0.62 -0.09 -0.07 0.00 -1.18 0.00 0.00 61.69 60.97 3cv5 s THR 399 Cb -0.16 -3.62 0.01 0.00 1.34 0.00 0.00 72.50 70.07 3cv5 s THR 399 CO 0.44 0.07 0.18 -0.22 -0.54 0.00 0.00 174.62 174.55 3cv5 s LEU 400 N -2.60 1.35 0.12 4.79 0.20 -0.34 -1.62 118.68 120.58 3cv5 s LEU 400 Ca 0.39 0.18 0.02 0.00 0.69 0.00 0.00 54.13 55.41 3cv5 s LEU 400 Cb -0.12 0.68 -0.04 0.00 -0.43 0.00 0.00 46.19 46.28 3cv5 s LEU 400 CO 0.25 -0.18 -0.05 -0.94 -0.29 0.00 0.00 176.35 175.14 3cv5 s SER 401 N -0.44 1.20 0.00 3.68 1.04 -0.56 -1.25 113.70 117.37 3cv5 s SER 401 Ca -0.05 -1.05 0.00 0.00 0.48 0.00 0.00 55.95 55.33 3cv5 s SER 401 Cb -0.03 0.10 0.00 0.00 0.10 0.00 0.00 66.02 66.18 3cv5 s SER 401 CO 0.01 -0.48 0.00 0.61 0.98 0.00 0.00 173.24 174.35 3cv5 n GLY 402 N -0.10 0.53 3.28 7.32 0.00 -1.26 -1.19 105.19 113.76 3cv5 n GLY 402 Ca -0.10 -2.22 -0.28 0.00 0.00 0.00 0.00 46.02 43.42 3cv5 n GLY 402 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3cv5 n ASP 403 N 0.75 2.69 -2.61 1.61 5.75 -1.26 -4.37 116.55 119.11 3cv5 n ASP 403 Ca 0.00 -3.04 -0.20 0.00 -0.01 0.00 0.00 54.79 51.54 3cv5 n ASP 403 Cb 0.00 0.51 0.01 0.00 -1.03 0.00 0.00 41.12 40.61 3cv5 n ASP 403 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 3cv5 n PHE 404 N -1.08 2.48 -4.37 2.11 3.72 -0.14 -4.91 117.46 115.28 3cv5 n PHE 404 Ca -0.15 -3.09 -0.25 0.00 -0.05 0.00 0.00 57.45 53.90 3cv5 n PHE 404 Cb 0.59 -0.23 -0.12 0.00 -0.94 0.00 0.00 39.48 38.77 3cv5 n PHE 404 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 3cv5 s PHE 405 N -3.33 2.08 -0.07 1.38 0.08 -1.26 -2.47 117.98 114.38 3cv5 s PHE 405 Ca 0.40 -0.40 -0.17 0.00 0.12 0.00 0.00 56.93 56.87 3cv5 s PHE 405 Cb 0.41 -1.05 -0.05 0.00 -0.57 0.00 0.00 43.02 41.76 3cv5 s PHE 405 CO -0.10 0.39 0.47 0.99 -0.10 0.00 0.00 175.22 176.87 3cv5 s THR 406 N -1.67 5.11 0.26 0.64 2.01 -1.26 -5.09 115.64 115.64 3cv5 s THR 406 Ca 0.17 0.94 -0.30 0.00 0.31 0.00 0.00 61.69 62.81 3cv5 s THR 406 Cb -0.08 -3.80 -0.10 0.00 0.01 0.00 0.00 72.50 68.54 3cv5 s THR 406 CO 0.08 0.41 1.40 -0.47 -0.69 0.00 0.00 174.62 175.34 3cv5 s TYR 407 N 0.08 3.05 -0.04 4.92 5.04 -1.26 -4.78 117.35 124.36 3cv5 s TYR 407 Ca 0.25 1.13 0.04 0.00 -2.44 0.00 0.00 57.07 56.05 3cv5 s TYR 407 Cb -0.16 -3.77 -0.00 0.00 0.35 0.00 0.00 41.96 38.38 3cv5 s TYR 407 CO 0.12 -2.41 -0.16 0.00 -1.34 0.00 0.00 175.55 171.76 3cv5 s ALA 408 N -0.21 1.42 -0.45 3.97 0.00 -1.26 -0.91 121.76 124.32 3cv5 s ALA 408 Ca 0.57 -0.63 0.23 0.00 0.00 0.00 0.00 51.96 52.12 3cv5 s ALA 408 Cb -0.41 -0.48 0.03 0.00 0.00 0.00 0.00 23.12 22.26 3cv5 s ALA 408 CO 0.45 0.25 1.01 -0.40 0.00 0.00 0.00 175.76 177.07 3cv5 n ASP 409 N 3.17 0.62 -3.59 0.00 5.75 -1.21 -2.73 116.55 118.56 3cv5 n ASP 409 Ca -0.18 0.00 -0.09 0.00 -0.01 0.00 0.00 54.79 54.51 3cv5 n ASP 409 Cb 0.53 0.76 -0.05 0.00 -1.03 0.00 0.00 41.12 41.33 3cv5 n ASP 409 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3cv5 s ARG 410 N -3.28 0.53 3.88 0.11 1.70 -1.26 -4.79 118.95 115.84 3cv5 s ARG 410 Ca 0.02 0.15 0.00 0.00 -0.47 0.00 0.00 55.73 55.43 3cv5 s ARG 410 Cb 0.13 0.25 0.00 0.00 -0.57 0.00 0.00 34.95 34.76 3cv5 s ARG 410 CO 0.80 -0.16 0.00 0.45 -1.08 0.00 0.00 175.30 175.31 3cv5 n SER 411 N 0.79 0.00 -1.83 -2.89 2.88 -1.26 -0.87 113.62 110.44 3cv5 n SER 411 Ca -0.09 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.37 3cv5 n SER 411 Cb 0.58 0.00 0.27 0.00 -0.75 0.00 0.00 64.21 64.31 3cv5 n SER 411 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3cv5 n ASP 412 N 2.60 4.28 -4.45 -3.46 5.75 -1.26 -4.88 116.55 115.12 3cv5 n ASP 412 Ca 0.00 -3.34 -0.44 0.00 -0.01 0.00 0.00 54.79 51.00 3cv5 n ASP 412 Cb 0.00 -0.73 -0.01 0.00 -1.03 0.00 0.00 41.12 39.35 3cv5 n ASP 412 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 3cv5 s ASN 413 N -1.36 6.86 -0.09 -1.12 0.02 -0.05 -4.98 114.94 114.22 3cv5 s ASN 413 Ca 0.53 -2.55 -0.15 0.00 -1.02 0.00 0.00 52.86 49.67 3cv5 s ASN 413 Cb 0.43 -2.39 -0.05 0.00 0.02 0.00 0.00 41.25 39.26 3cv5 s ASN 413 CO 0.11 -0.89 0.39 -0.31 0.02 0.00 0.00 177.10 176.42 3cv5 s TYR 414 N 2.04 3.57 -1.18 2.20 1.51 -1.26 -3.29 117.35 120.94 3cv5 s TYR 414 Ca 0.37 0.83 -0.05 0.00 -1.01 0.00 0.00 57.07 57.22 3cv5 s TYR 414 Cb -0.04 -2.39 0.15 0.00 -0.11 0.00 0.00 41.96 39.57 3cv5 s TYR 414 CO -0.05 0.36 2.34 0.91 -1.11 0.00 0.00 175.55 178.00 3cv5 n TRP 415 N 2.99 2.53 1.06 2.71 7.02 -0.08 -2.79 117.44 130.87 3cv5 n TRP 415 Ca -0.11 -2.68 0.11 0.00 -1.02 0.00 0.00 57.50 53.80 3cv5 n TRP 415 Cb 0.52 -1.68 0.08 0.00 -2.42 0.00 0.00 31.31 27.81 3cv5 n TRP 415 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 3cv5 n SER 416 N 1.33 1.78 -0.25 -0.99 3.41 -1.23 -4.39 113.62 113.27 3cv5 n SER 416 Ca 0.59 -1.36 -0.06 0.00 -0.26 0.00 0.00 58.87 57.77 3cv5 n SER 416 Cb 0.28 0.42 0.07 0.00 -0.26 0.00 0.00 64.21 64.72 3cv5 n SER 416 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 3cv5 h GLY 417 N 4.87 1.20 1.73 5.00 0.00 -1.27 -2.91 103.07 111.70 3cv5 h GLY 417 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 47.33 46.61 3cv5 h GLY 417 CO 0.00 0.68 0.00 1.58 0.00 0.00 0.00 176.54 178.80 3cv5 n TYR 418 N -4.24 0.00 0.29 5.60 4.11 -1.03 -1.34 117.16 120.54 3cv5 n TYR 418 Ca 0.06 0.00 0.15 0.00 -0.00 0.00 0.00 57.90 58.11 3cv5 n TYR 418 Cb 0.24 -0.37 0.72 0.00 -0.00 0.00 0.00 39.34 39.93 3cv5 n TYR 418 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.86 178.74 3cv5 h TYR 419 N 0.00 0.00 0.00 -3.48 0.05 -1.79 -3.34 116.97 108.41 3cv5 h TYR 419 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3cv5 h TYR 419 Cb 0.20 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.94 3cv5 h TYR 419 CO 0.00 0.00 -0.81 2.41 -1.05 0.00 0.00 178.16 178.71 3cv5 n THR 420 N -2.59 0.00 -1.58 -2.88 -1.04 -0.45 -2.50 114.28 103.24 3cv5 n THR 420 Ca -0.00 0.00 -0.48 0.00 -2.04 0.00 0.00 64.05 61.52 3cv5 n THR 420 Cb 0.15 -0.63 -0.04 0.00 -1.82 0.00 0.00 70.33 67.99 3cv5 n THR 420 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 3cv5 n SER 421 N -1.64 1.41 -3.39 8.00 7.64 -0.92 -2.83 113.62 121.89 3cv5 n SER 421 Ca 0.00 1.14 -0.19 0.00 1.01 0.00 0.00 58.87 60.84 3cv5 n SER 421 Cb 0.35 -1.23 0.07 0.00 -1.01 0.00 0.00 64.21 62.38 3cv5 n SER 421 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3cv5 n ARG 422 N 1.68 -2.93 0.28 1.43 3.00 -1.26 -4.11 116.66 114.74 3cv5 n ARG 422 Ca 0.14 0.78 0.18 0.00 -0.01 0.00 0.00 57.85 58.94 3cv5 n ARG 422 Cb 0.26 -5.50 0.72 0.00 0.00 0.00 0.00 32.46 27.93 3cv5 n ARG 422 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.63 176.63 3cv5 h PRO 423 N -1.40 0.00 -0.63 5.56 0.13 -1.85 -2.37 132.00 131.44 3cv5 h PRO 423 Ca -0.62 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.54 3cv5 h PRO 423 Cb 1.33 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.42 3cv5 h PRO 423 CO 0.47 0.00 0.39 -0.92 -0.23 0.00 0.00 178.00 177.71 3cv5 h TYR 424 N 0.00 0.74 0.00 1.56 5.03 -1.90 -1.04 116.97 121.36 3cv5 h TYR 424 Ca 0.00 0.02 -0.12 0.00 2.58 0.00 0.00 58.73 61.21 3cv5 h TYR 424 Cb 0.47 -0.24 -0.02 0.00 1.55 0.00 0.00 36.73 38.49 3cv5 h TYR 424 CO 0.00 0.43 -0.57 0.45 -1.32 0.00 0.00 178.16 177.15 3cv5 h HIS 425 N 0.78 0.00 -0.50 -3.82 -0.00 -1.80 -0.97 115.15 108.84 3cv5 h HIS 425 Ca 0.25 0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.59 3cv5 h HIS 425 Cb -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 27.38 3cv5 h HIS 425 CO -0.05 0.57 0.21 0.87 -0.00 0.00 0.00 177.93 179.54 3cv5 h LYS 426 N 0.00 0.74 -0.37 2.45 1.57 -1.27 -0.96 116.57 118.74 3cv5 h LYS 426 Ca -0.01 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.59 3cv5 h LYS 426 Cb 1.40 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 3cv5 h LYS 426 CO 0.07 0.65 0.02 -0.09 -0.57 0.00 0.00 179.45 179.54 3cv5 h ARG 427 N 0.67 0.65 -0.84 3.15 9.65 -0.98 -2.98 114.38 123.70 3cv5 h ARG 427 Ca 0.17 -0.20 0.12 0.00 -1.10 0.00 0.00 59.98 58.97 3cv5 h ARG 427 Cb 0.18 -0.06 -0.06 0.00 -1.39 0.00 0.00 29.97 28.64 3cv5 h ARG 427 CO -0.02 0.74 0.54 1.98 2.80 0.00 0.00 179.97 186.02 3cv5 h MET 428 N 0.47 0.69 -0.70 0.20 4.05 -1.00 -1.61 114.93 117.04 3cv5 h MET 428 Ca 0.11 -0.04 0.05 0.00 -0.28 0.00 0.00 59.70 59.54 3cv5 h MET 428 Cb 0.43 -0.16 -0.05 0.00 -0.80 0.00 0.00 31.60 31.03 3cv5 h MET 428 CO 0.02 0.46 0.41 0.22 0.23 0.00 0.00 176.91 178.24 3cv5 h ASP 429 N 0.71 0.63 0.46 1.39 3.58 -1.02 -0.20 116.42 121.97 3cv5 h ASP 429 Ca 0.40 0.02 -0.18 0.00 0.42 0.00 0.00 57.03 57.69 3cv5 h ASP 429 Cb 0.58 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.51 3cv5 h ASP 429 CO -0.17 0.41 -0.78 0.03 -2.88 0.00 0.00 179.24 175.85 3cv5 h ARG 430 N 0.76 0.25 0.08 0.28 2.47 -1.31 0.44 114.38 117.35 3cv5 h ARG 430 Ca 0.30 -0.23 -0.00 0.00 -1.26 0.00 0.00 59.98 58.79 3cv5 h ARG 430 Cb 0.15 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.52 3cv5 h ARG 430 CO -0.16 0.91 -0.04 0.28 0.56 0.00 0.00 179.97 181.52 3cv5 h VAL 431 N 0.16 0.99 -0.43 2.04 2.07 -0.85 -2.71 116.25 117.52 3cv5 h VAL 431 Ca -0.03 -0.25 -0.06 0.00 0.82 0.00 0.00 66.70 67.18 3cv5 h VAL 431 Cb 1.37 1.15 -0.02 0.00 -1.52 0.00 0.00 31.29 32.27 3cv5 h VAL 431 CO 0.12 0.06 0.02 0.25 0.02 0.00 0.00 177.57 178.05 3cv5 h LEU 432 N -0.22 0.64 -0.50 2.57 5.85 -1.01 -1.17 115.31 121.47 3cv5 h LEU 432 Ca -0.01 -0.13 0.10 0.00 0.84 0.00 0.00 57.88 58.68 3cv5 h LEU 432 Cb 0.19 -0.17 -0.09 0.00 0.37 0.00 0.00 40.66 40.96 3cv5 h LEU 432 CO 0.02 0.70 -0.04 -0.03 -0.34 0.00 0.00 178.44 178.75 3cv5 h MET 433 N 0.64 0.08 -0.28 1.25 4.05 -0.82 0.72 114.93 120.56 3cv5 h MET 433 Ca 0.13 -0.00 -0.19 0.00 -0.28 0.00 0.00 59.70 59.36 3cv5 h MET 433 Cb 0.37 -0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.15 3cv5 h MET 433 CO 0.01 0.05 -0.55 1.25 0.23 0.00 0.00 176.91 177.90 3cv5 h HIS 434 N 0.08 1.09 -0.07 1.39 -0.00 -1.11 -2.39 115.15 114.15 3cv5 h HIS 434 Ca 0.25 -0.39 -0.11 0.00 -0.00 0.00 0.00 60.37 60.12 3cv5 h HIS 434 Cb 0.39 -0.20 -0.01 0.00 -0.00 0.00 0.00 27.41 27.58 3cv5 h HIS 434 CO -0.35 1.22 -0.45 1.88 -0.00 0.00 0.00 177.93 180.24 3cv5 h TYR 435 N 0.66 0.19 -0.13 5.26 0.05 -0.67 -0.38 116.97 121.94 3cv5 h TYR 435 Ca 0.01 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.73 3cv5 h TYR 435 Cb 1.16 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.86 3cv5 h TYR 435 CO 0.07 0.58 0.05 0.28 -1.05 0.00 0.00 178.16 178.09 3cv5 h VAL 436 N 0.13 1.16 -0.35 -2.88 2.07 -0.83 0.14 116.25 115.70 3cv5 h VAL 436 Ca 0.01 -0.50 0.04 0.00 0.82 0.00 0.00 66.70 67.07 3cv5 h VAL 436 Cb 0.85 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.83 3cv5 h VAL 436 CO 0.07 0.15 0.12 -0.09 0.02 0.00 0.00 177.57 177.83 3cv5 h ARG 437 N 0.05 0.25 -0.71 1.57 2.43 -1.12 -0.79 114.38 116.05 3cv5 h ARG 437 Ca 0.04 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.13 3cv5 h ARG 437 Cb 0.19 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.66 3cv5 h ARG 437 CO -0.00 0.17 0.17 0.00 -1.51 0.00 0.00 179.97 178.79 3cv5 h ALA 438 N 1.23 0.95 -0.24 2.80 0.00 -0.95 -1.05 119.26 122.00 3cv5 h ALA 438 Ca 0.16 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 3cv5 h ALA 438 Cb 0.14 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3cv5 h ALA 438 CO -0.17 0.67 -0.01 0.00 0.00 0.00 0.00 179.25 179.74 3cv5 h ALA 439 N 1.09 0.33 -0.84 0.00 0.00 -0.78 0.70 119.26 119.77 3cv5 h ALA 439 Ca 0.22 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3cv5 h ALA 439 Cb 0.38 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 3cv5 h ALA 439 CO 0.00 0.08 0.44 0.93 0.00 0.00 0.00 179.25 180.70 3cv5 h GLU 440 N 0.21 1.18 0.01 0.00 5.08 -1.09 -2.23 114.58 117.73 3cv5 h GLU 440 Ca 0.07 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3cv5 h GLU 440 Cb 0.44 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.46 3cv5 h GLU 440 CO 0.02 0.88 -0.00 1.98 -1.00 0.00 0.00 179.01 180.88 3cv5 h MET 441 N 1.17 -0.01 -0.70 2.33 4.05 -1.05 -1.82 114.93 118.91 3cv5 h MET 441 Ca 0.29 0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.73 3cv5 h MET 441 Cb 0.06 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 30.82 3cv5 h MET 441 CO -0.04 0.49 0.46 -0.07 0.23 0.00 0.00 176.91 177.98 3cv5 h LEU 442 N -0.51 0.78 0.00 3.39 3.38 -0.87 -2.40 115.31 119.08 3cv5 h LEU 442 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3cv5 h LEU 442 Cb 0.50 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3cv5 h LEU 442 CO 0.00 0.56 -0.38 -1.54 0.09 0.00 0.00 178.44 177.17 3cv5 n SER 443 N -4.44 0.76 0.23 -0.43 3.41 -0.84 -3.80 113.62 108.52 3cv5 n SER 443 Ca 0.08 0.30 0.10 0.00 -0.26 0.00 0.00 58.87 59.09 3cv5 n SER 443 Cb 0.06 -0.22 0.55 0.00 -0.26 0.00 0.00 64.21 64.34 3cv5 n SER 443 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cv5 h ALA 444 N 2.50 1.16 0.00 7.33 0.00 -0.78 -3.20 119.26 126.28 3cv5 h ALA 444 Ca 0.00 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 3cv5 h ALA 444 Cb 0.75 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3cv5 h ALA 444 CO 0.00 0.26 -0.12 -1.49 0.00 0.00 0.00 179.25 177.90 3cv5 h TRP 445 N 0.00 0.00 -2.85 0.00 4.06 -1.66 -3.44 115.95 112.07 3cv5 h TRP 445 Ca -0.00 0.00 -0.64 0.00 2.06 0.00 0.00 58.89 60.31 3cv5 h TRP 445 Cb 0.58 0.00 -0.17 0.00 -1.00 0.00 0.00 29.16 28.57 3cv5 h TRP 445 CO 0.00 0.12 -0.80 -1.01 -3.56 0.00 0.00 178.44 173.19 3cv5 s HIS 446 N -4.42 2.29 0.17 0.49 3.76 -1.21 -5.09 115.29 111.29 3cv5 s HIS 446 Ca -0.04 -0.35 -0.26 0.00 -0.15 0.00 0.00 55.06 54.26 3cv5 s HIS 446 Cb 0.14 -1.08 -0.08 0.00 1.11 0.00 0.00 32.58 32.67 3cv5 s HIS 446 CO 0.62 0.57 0.81 -1.12 -0.85 0.00 0.00 174.74 174.77 3cv5 s SER 447 N -2.97 7.43 -0.07 1.40 0.01 -1.26 -4.99 113.70 113.24 3cv5 s SER 447 Ca 0.24 1.70 0.04 0.00 1.31 0.00 0.00 55.95 59.23 3cv5 s SER 447 Cb -0.07 -2.52 -0.02 0.00 0.21 0.00 0.00 66.02 63.63 3cv5 s SER 447 CO 0.12 0.19 -0.19 0.26 0.41 0.00 0.00 173.24 174.03 3cv5 s TRP 448 N -1.09 2.61 0.38 2.43 0.52 -1.26 -5.05 118.94 117.48 3cv5 s TRP 448 Ca 0.37 -0.55 -0.26 0.00 0.02 0.00 0.00 56.10 55.68 3cv5 s TRP 448 Cb -0.24 -1.67 -0.11 0.00 -1.15 0.00 0.00 33.47 30.30 3cv5 s TRP 448 CO 0.27 -0.10 1.17 -3.47 0.02 0.00 0.00 176.95 174.84 3cv5 n ASP 449 N 2.92 2.08 -0.02 2.95 2.03 -1.26 -4.33 116.55 120.93 3cv5 n ASP 449 Ca -0.18 1.13 0.22 0.00 0.52 0.00 0.00 54.79 56.49 3cv5 n ASP 449 Cb 0.52 -1.42 0.72 0.00 -0.72 0.00 0.00 41.12 40.21 3cv5 n ASP 449 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 3cv5 h GLY 450 N 2.06 0.00 2.00 0.27 0.00 -2.01 -1.01 103.07 104.38 3cv5 h GLY 450 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3cv5 h GLY 450 CO 0.60 0.00 0.00 -0.33 0.00 0.00 0.00 176.54 176.81 3cv5 h MET 451 N 0.00 0.00 0.00 4.80 2.86 -2.05 -2.24 114.93 118.30 3cv5 h MET 451 Ca 0.28 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.92 3cv5 h MET 451 Cb 1.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.84 3cv5 h MET 451 CO -0.00 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.97 3cv5 h ALA 452 N 2.13 1.00 -2.50 6.32 0.00 -1.54 -3.47 119.26 121.20 3cv5 h ALA 452 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 54.91 54.54 3cv5 h ALA 452 Cb 0.29 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 3cv5 h ALA 452 CO 0.00 0.00 -0.46 0.54 0.00 0.00 0.00 179.25 179.33 3cv5 n ARG 453 N -2.73 -1.46 -0.02 0.00 1.74 -0.84 -4.90 116.66 108.44 3cv5 n ARG 453 Ca 0.04 0.91 -0.13 0.00 -0.77 0.00 0.00 57.85 57.90 3cv5 n ARG 453 Cb 0.42 -5.42 -0.10 0.00 -1.02 0.00 0.00 32.46 26.34 3cv5 n ARG 453 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3cv5 h ILE 454 N 0.00 1.45 -0.97 0.55 1.08 -1.84 -2.30 117.51 115.48 3cv5 h ILE 454 Ca -0.43 -1.34 0.04 0.00 -0.39 0.00 0.00 64.86 62.74 3cv5 h ILE 454 Cb 1.32 2.33 -0.06 0.00 -3.07 0.00 0.00 36.82 37.34 3cv5 h ILE 454 CO 0.52 0.35 0.63 -0.33 -0.69 0.00 0.00 178.15 178.63 3cv5 h GLU 455 N -0.53 1.18 0.10 2.37 3.07 -1.94 -1.21 114.58 117.62 3cv5 h GLU 455 Ca 0.00 -0.07 -0.00 0.00 -0.50 0.00 0.00 59.36 58.78 3cv5 h GLU 455 Cb 0.58 -0.27 0.00 0.00 -0.84 0.00 0.00 28.75 28.22 3cv5 h GLU 455 CO 0.00 0.78 -0.05 1.49 -1.40 0.00 0.00 179.01 179.84 3cv5 h GLU 456 N 1.22 -0.12 -0.62 2.33 4.81 -1.95 -0.19 114.58 120.06 3cv5 h GLU 456 Ca 0.38 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.54 3cv5 h GLU 456 Cb 0.01 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 3cv5 h GLU 456 CO -0.12 -0.06 0.06 0.00 -0.73 0.00 0.00 179.01 178.15 3cv5 h ARG 457 N -0.15 1.05 -0.45 1.92 -0.00 -1.06 -1.83 114.38 113.85 3cv5 h ARG 457 Ca -0.01 -0.30 -0.14 0.00 -0.50 0.00 0.00 59.98 59.03 3cv5 h ARG 457 Cb 0.12 -0.11 -0.01 0.00 0.00 0.00 0.00 29.97 29.96 3cv5 h ARG 457 CO 0.02 0.99 -0.26 -0.07 0.00 0.00 0.00 179.97 180.66 3cv5 h LEU 458 N 0.97 0.99 -0.58 3.04 3.38 -1.12 -0.89 115.31 121.11 3cv5 h LEU 458 Ca 0.19 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 3cv5 h LEU 458 Cb 0.48 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3cv5 h LEU 458 CO 0.02 1.18 0.27 -0.08 0.09 0.00 0.00 178.44 179.92 3cv5 h GLU 459 N 0.81 0.84 -0.11 1.13 4.81 -0.82 0.06 114.58 121.30 3cv5 h GLU 459 Ca 0.10 -0.13 0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3cv5 h GLU 459 Cb 0.83 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 30.05 3cv5 h GLU 459 CO 0.07 0.69 -0.01 0.37 -0.73 0.00 0.00 179.01 179.41 3cv5 h GLN 460 N 0.78 0.03 -0.27 1.92 4.15 -1.19 -0.27 115.11 120.26 3cv5 h GLN 460 Ca 0.20 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.62 3cv5 h GLN 460 Cb 0.14 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.81 3cv5 h GLN 460 CO -0.02 0.02 0.18 0.00 -1.93 0.00 0.00 178.83 177.08 3cv5 h ALA 461 N 1.10 0.35 -0.86 3.38 0.00 -0.82 -1.43 119.26 120.97 3cv5 h ALA 461 Ca 0.05 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 3cv5 h ALA 461 Cb 0.07 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3cv5 h ALA 461 CO -0.09 -0.19 0.46 0.00 0.00 0.00 0.00 179.25 179.42 3cv5 h ARG 462 N 0.37 1.21 -0.22 0.00 3.08 -0.87 -2.03 114.38 115.92 3cv5 h ARG 462 Ca 0.10 -0.15 -0.15 0.00 0.07 0.00 0.00 59.98 59.85 3cv5 h ARG 462 Cb -0.04 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.77 3cv5 h ARG 462 CO -0.03 0.90 -0.49 0.00 -1.07 0.00 0.00 179.97 179.29 3cv5 h ARG 463 N 1.21 0.59 -0.10 0.04 3.08 -0.57 -0.72 114.38 117.92 3cv5 h ARG 463 Ca 0.30 -0.34 -0.22 0.00 0.07 0.00 0.00 59.98 59.79 3cv5 h ARG 463 Cb 0.05 0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.14 3cv5 h ARG 463 CO -0.05 0.94 -0.81 0.93 -1.07 0.00 0.00 179.97 179.92 3cv5 h GLU 464 N 0.47 0.62 -0.60 0.04 4.39 -1.12 -0.25 114.58 118.13 3cv5 h GLU 464 Ca 0.02 -0.54 -0.08 0.00 0.34 0.00 0.00 59.36 59.10 3cv5 h GLU 464 Cb 1.02 0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 29.77 3cv5 h GLU 464 CO 0.09 1.16 0.05 1.25 -1.16 0.00 0.00 179.01 180.41 3cv5 h LEU 465 N 0.41 1.00 -0.45 1.33 5.85 -1.35 -2.68 115.31 119.41 3cv5 h LEU 465 Ca -0.06 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 3cv5 h LEU 465 Cb 1.42 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 42.17 3cv5 h LEU 465 CO 0.15 1.03 0.22 0.28 -0.34 0.00 0.00 178.44 179.79 3cv5 h SER 466 N 0.93 0.58 -0.79 1.25 0.02 -1.02 -2.57 113.55 111.96 3cv5 h SER 466 Ca 0.18 -0.12 0.10 0.00 -0.84 0.00 0.00 61.79 61.11 3cv5 h SER 466 Cb 0.49 -0.15 -0.07 0.00 0.14 0.00 0.00 62.40 62.80 3cv5 h SER 466 CO 0.02 0.54 0.43 0.25 -1.14 0.00 0.00 176.83 176.93 3cv5 h LEU 467 N 0.59 0.59 -1.17 5.07 5.85 -0.93 -1.96 115.31 123.35 3cv5 h LEU 467 Ca 0.16 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.93 3cv5 h LEU 467 Cb 0.10 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.08 3cv5 h LEU 467 CO -0.02 0.33 0.00 0.15 -0.34 0.00 0.00 178.44 178.56 3cv5 h PHE 468 N 0.71 0.00 0.00 1.25 3.57 -1.12 -1.62 116.94 119.74 3cv5 h PHE 468 Ca 0.39 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.89 3cv5 h PHE 468 Cb 0.39 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.13 3cv5 h PHE 468 CO -0.08 0.00 0.00 1.04 -2.23 0.00 0.00 178.31 177.04 3cv5 n GLN 469 N -2.51 0.08 -1.43 1.11 1.13 -0.74 -0.65 117.38 114.36 3cv5 n GLN 469 Ca 0.01 0.34 -0.39 0.00 -1.94 0.00 0.00 57.00 55.02 3cv5 n GLN 469 Cb 0.21 -1.65 0.03 0.00 0.11 0.00 0.00 30.24 28.93 3cv5 n GLN 469 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 3cv5 n HIS 470 N -1.79 -0.99 1.16 1.08 -0.00 -0.61 -0.87 115.22 113.20 3cv5 n HIS 470 Ca 0.03 0.48 0.06 0.00 -0.00 0.00 0.00 57.72 58.29 3cv5 n HIS 470 Cb 0.18 -1.92 0.37 0.00 -0.00 0.00 0.00 29.99 28.62 3cv5 n HIS 470 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 3cv5 n HIS 471 N -1.48 0.00 -0.12 1.57 1.44 -1.19 -1.23 115.22 114.20 3cv5 n HIS 471 Ca 0.11 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.83 3cv5 n HIS 471 Cb 0.46 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.58 3cv5 n HIS 471 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 3cv5 n ASP 472 N -0.84 1.97 0.00 4.39 8.00 -1.26 -4.64 116.55 124.17 3cv5 n ASP 472 Ca 0.09 -2.07 0.00 0.00 0.71 0.00 0.00 54.79 53.53 3cv5 n ASP 472 Cb 0.04 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.11 3cv5 n ASP 472 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3cv5 n GLY 473 N -0.57 0.59 0.38 0.44 0.00 -0.37 -3.47 105.19 102.20 3cv5 n GLY 473 Ca 0.01 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.24 3cv5 n GLY 473 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3cv5 h ILE 474 N 0.00 0.45 0.00 -0.61 2.10 -0.93 -0.86 117.51 117.65 3cv5 h ILE 474 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3cv5 h ILE 474 Cb 0.00 0.68 0.00 0.00 -1.09 0.00 0.00 36.82 36.41 3cv5 h ILE 474 CO 0.00 0.00 0.00 0.71 -1.08 0.00 0.00 178.15 177.78 3cv5 h THR 475 N 0.00 0.00 -0.94 2.19 1.35 -1.82 -3.43 112.91 110.26 3cv5 h THR 475 Ca 0.20 -0.37 -0.11 0.00 -0.55 0.00 0.00 66.41 65.57 3cv5 h THR 475 Cb 1.01 1.30 -0.00 0.00 -1.73 0.00 0.00 68.15 68.73 3cv5 h THR 475 CO -0.00 0.00 -0.15 0.61 -0.25 0.00 0.00 175.52 175.73 3cv5 n GLY 476 N -0.17 0.17 0.74 5.82 0.00 -0.33 -4.40 105.19 107.02 3cv5 n GLY 476 Ca 0.00 -0.63 0.07 0.00 0.00 0.00 0.00 46.02 45.47 3cv5 n GLY 476 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3cv5 n THR 477 N -3.93 2.24 -3.80 2.61 -2.24 -1.25 -4.60 114.28 103.31 3cv5 n THR 477 Ca -0.06 -2.09 -0.21 0.00 -2.27 0.00 0.00 64.05 59.42 3cv5 n THR 477 Cb 0.55 -0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 68.49 3cv5 n THR 477 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3cv5 s ALA 478 N -2.90 3.94 0.74 6.98 0.00 -1.23 -4.86 121.76 124.43 3cv5 s ALA 478 Ca 0.40 -1.45 -0.14 0.00 0.00 0.00 0.00 51.96 50.77 3cv5 s ALA 478 Cb 0.34 -1.48 0.04 0.00 0.00 0.00 0.00 23.12 22.02 3cv5 s ALA 478 CO 0.06 0.10 1.16 0.15 0.00 0.00 0.00 175.76 177.23 3cv5 s LYS 479 N -4.02 2.19 0.22 0.00 1.02 -0.23 -4.68 119.74 114.23 3cv5 s LYS 479 Ca 0.39 1.58 -0.14 0.00 0.02 0.00 0.00 55.97 57.82 3cv5 s LYS 479 Cb -0.08 -1.86 0.25 0.00 -0.52 0.00 0.00 37.83 35.62 3cv5 s LYS 479 CO 0.28 -1.76 1.61 1.15 -0.92 0.00 0.00 175.35 175.71 3cv5 h THR 480 N -0.49 0.29 0.00 2.17 2.02 -1.94 0.17 112.91 115.13 3cv5 h THR 480 Ca -0.46 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.72 3cv5 h THR 480 Cb 1.27 0.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 3cv5 h THR 480 CO 0.50 0.00 0.00 1.12 0.37 0.00 0.00 175.52 177.51 3cv5 h HIS 481 N -0.02 0.00 0.13 3.16 2.07 -1.96 -1.61 115.15 116.91 3cv5 h HIS 481 Ca 0.32 0.00 -0.21 0.00 -2.85 0.00 0.00 60.37 57.63 3cv5 h HIS 481 Cb 0.51 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.52 3cv5 h HIS 481 CO -0.57 0.00 -0.90 0.28 -3.07 0.00 0.00 177.93 173.67 3cv5 h VAL 482 N 0.00 1.45 -0.97 6.12 2.07 -1.34 -2.10 116.25 121.48 3cv5 h VAL 482 Ca 0.00 -2.47 0.09 0.00 0.82 0.00 0.00 66.70 65.14 3cv5 h VAL 482 Cb 0.44 3.03 -0.07 0.00 -1.52 0.00 0.00 31.29 33.16 3cv5 h VAL 482 CO 0.00 0.71 0.62 0.58 0.02 0.00 0.00 177.57 179.51 3cv5 h VAL 483 N -0.19 1.00 -0.55 2.57 2.07 -0.77 -0.87 116.25 119.51 3cv5 h VAL 483 Ca -0.15 -0.36 -0.04 0.00 0.82 0.00 0.00 66.70 66.97 3cv5 h VAL 483 Cb 1.68 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 3cv5 h VAL 483 CO 0.17 0.19 0.19 0.58 0.02 0.00 0.00 177.57 178.73 3cv5 h VAL 484 N 1.04 1.23 -0.36 2.57 2.07 -1.27 -0.32 116.25 121.21 3cv5 h VAL 484 Ca 0.45 -0.75 0.05 0.00 0.82 0.00 0.00 66.70 67.27 3cv5 h VAL 484 Cb 0.33 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 30.74 3cv5 h VAL 484 CO -0.20 0.28 0.10 -0.78 0.02 0.00 0.00 177.57 176.99 3cv5 h ASP 485 N 0.76 0.08 -0.61 0.57 3.58 -0.65 0.19 116.42 120.35 3cv5 h ASP 485 Ca 0.18 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.67 3cv5 h ASP 485 Cb 0.24 0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.31 3cv5 h ASP 485 CO -0.01 0.08 0.34 1.88 -2.88 0.00 0.00 179.24 178.65 3cv5 h TYR 486 N 0.24 0.83 -0.29 0.28 0.05 -0.83 -0.78 116.97 116.48 3cv5 h TYR 486 Ca 0.17 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.93 3cv5 h TYR 486 Cb 0.17 -0.27 -0.02 0.00 1.01 0.00 0.00 36.73 37.62 3cv5 h TYR 486 CO -0.16 0.60 0.19 1.49 -1.05 0.00 0.00 178.16 179.22 3cv5 h GLU 487 N 0.83 0.37 -0.58 4.88 4.81 -0.74 -0.39 114.58 123.76 3cv5 h GLU 487 Ca 0.21 -0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.45 3cv5 h GLU 487 Cb 0.04 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.30 3cv5 h GLU 487 CO -0.03 0.24 0.36 1.96 -0.73 0.00 0.00 179.01 180.81 3cv5 h GLN 488 N 0.38 0.69 -0.64 1.92 4.20 -0.75 0.44 115.11 121.35 3cv5 h GLN 488 Ca 0.11 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 3cv5 h GLN 488 Cb -0.04 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 27.56 3cv5 h GLN 488 CO -0.03 0.46 0.38 0.00 -0.67 0.00 0.00 178.83 178.96 3cv5 h ARG 489 N 0.71 0.88 -0.23 1.46 3.08 -0.94 -1.77 114.38 117.56 3cv5 h ARG 489 Ca 0.23 -0.09 -0.10 0.00 0.07 0.00 0.00 59.98 60.10 3cv5 h ARG 489 Cb 0.01 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 29.87 3cv5 h ARG 489 CO -0.09 0.64 -0.28 0.52 -1.07 0.00 0.00 179.97 179.69 3cv5 h MET 490 N 0.87 0.46 -0.38 0.04 2.86 -0.49 -1.21 114.93 117.08 3cv5 h MET 490 Ca 0.23 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 3cv5 h MET 490 Cb -0.00 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.61 3cv5 h MET 490 CO -0.04 0.69 0.25 1.96 1.06 0.00 0.00 176.91 180.83 3cv5 h GLN 491 N 0.40 0.50 -0.87 1.72 4.20 -0.59 0.83 115.11 121.30 3cv5 h GLN 491 Ca 0.06 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 3cv5 h GLN 491 Cb 0.69 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.32 3cv5 h GLN 491 CO 0.05 0.34 0.45 0.93 -0.67 0.00 0.00 178.83 179.94 3cv5 h GLU 492 N 0.51 1.23 -0.71 1.46 4.39 -1.06 -1.56 114.58 118.85 3cv5 h GLU 492 Ca 0.14 -0.16 -0.06 0.00 0.34 0.00 0.00 59.36 59.62 3cv5 h GLU 492 Cb -0.05 -0.23 -0.03 0.00 -0.10 0.00 0.00 28.75 28.34 3cv5 h GLU 492 CO -0.03 0.92 0.22 0.00 -1.16 0.00 0.00 179.01 178.96 3cv5 h ALA 493 N 1.26 0.93 -0.81 3.43 0.00 -0.64 -0.60 119.26 122.83 3cv5 h ALA 493 Ca 0.30 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 3cv5 h ALA 493 Cb 0.07 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 3cv5 h ALA 493 CO -0.04 0.62 0.34 -0.07 0.00 0.00 0.00 179.25 180.09 3cv5 h LEU 494 N 1.05 1.10 -0.73 0.00 3.38 -0.34 -1.00 115.31 118.77 3cv5 h LEU 494 Ca 0.23 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 3cv5 h LEU 494 Cb 0.31 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3cv5 h LEU 494 CO -0.01 0.96 -0.02 0.11 0.09 0.00 0.00 178.44 179.58 3cv5 h LYS 495 N 1.17 0.96 -0.38 1.13 1.57 -0.93 -0.46 116.57 119.63 3cv5 h LYS 495 Ca 0.27 -0.30 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3cv5 h LYS 495 Cb 0.19 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 3cv5 h LYS 495 CO -0.03 0.96 0.24 0.00 -0.57 0.00 0.00 179.45 180.05 3cv5 h ALA 496 N 1.09 0.49 -0.23 3.86 0.00 -0.76 -1.04 119.26 122.68 3cv5 h ALA 496 Ca 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3cv5 h ALA 496 Cb 0.54 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3cv5 h ALA 496 CO 0.03 -0.04 0.14 0.00 0.00 0.00 0.00 179.25 179.39 3cv5 h GLN 498 N 0.29 0.42 -0.38 0.00 4.15 -0.84 0.16 115.11 118.91 3cv5 h GLN 498 Ca 0.08 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.50 3cv5 h GLN 498 Cb -0.00 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 27.56 3cv5 h GLN 498 CO -0.02 0.28 0.20 1.98 -1.93 0.00 0.00 178.83 179.34 3cv5 h MET 499 N 0.43 0.39 -0.30 1.69 4.05 -0.97 -0.59 114.93 119.63 3cv5 h MET 499 Ca 0.19 -0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.56 3cv5 h MET 499 Cb 0.11 -0.09 -0.01 0.00 -0.80 0.00 0.00 31.60 30.81 3cv5 h MET 499 CO -0.14 0.26 0.07 0.28 0.23 0.00 0.00 176.91 177.61 3cv5 h VAL 500 N 0.40 1.21 -0.27 -5.77 2.07 -0.95 -1.63 116.25 111.31 3cv5 h VAL 500 Ca 0.16 -0.71 0.03 0.00 0.82 0.00 0.00 66.70 66.99 3cv5 h VAL 500 Cb 0.06 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.92 3cv5 h VAL 500 CO -0.11 0.23 0.11 0.24 0.02 0.00 0.00 177.57 178.07 3cv5 h MET 501 N 0.31 0.23 -0.13 1.57 2.07 -0.47 -1.27 114.93 117.24 3cv5 h MET 501 Ca 0.09 -0.01 -0.19 0.00 -2.07 0.00 0.00 59.70 57.52 3cv5 h MET 501 Cb 0.28 -0.05 -0.00 0.00 -1.87 0.00 0.00 31.60 29.96 3cv5 h MET 501 CO 0.00 0.15 -0.69 -0.56 1.07 0.00 0.00 176.91 176.89 3cv5 h GLN 502 N 0.24 0.55 -0.94 1.72 -0.00 -0.96 -1.05 115.11 114.67 3cv5 h GLN 502 Ca 0.12 -0.42 0.00 0.00 -0.00 0.00 0.00 58.65 58.36 3cv5 h GLN 502 Cb 0.07 0.08 -0.05 0.00 -0.00 0.00 0.00 27.48 27.58 3cv5 h GLN 502 CO -0.11 1.04 0.60 1.96 -0.00 0.00 0.00 178.83 182.32 3cv5 h GLN 503 N 0.39 1.26 -0.48 0.06 1.08 -1.23 -1.90 115.11 114.29 3cv5 h GLN 503 Ca -0.02 -0.10 -0.08 0.00 -1.45 0.00 0.00 58.65 57.00 3cv5 h GLN 503 Cb 1.27 -0.27 -0.02 0.00 -0.05 0.00 0.00 27.48 28.41 3cv5 h GLN 503 CO 0.13 0.86 -0.03 0.77 -0.95 0.00 0.00 178.83 179.61 3cv5 h SER 504 N 1.29 0.85 -0.59 1.46 0.02 -0.64 -2.26 113.55 113.68 3cv5 h SER 504 Ca 0.34 -0.32 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 3cv5 h SER 504 Cb -0.10 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.18 3cv5 h SER 504 CO -0.07 0.97 0.29 0.58 -1.14 0.00 0.00 176.83 177.46 3cv5 h VAL 505 N 0.71 1.21 -0.79 2.27 2.07 -1.07 0.11 116.25 120.76 3cv5 h VAL 505 Ca 0.13 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.07 3cv5 h VAL 505 Cb 0.55 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 3cv5 h VAL 505 CO 0.03 0.24 0.50 0.22 0.02 0.00 0.00 177.57 178.57 3cv5 h TYR 506 N 0.81 1.03 -0.33 1.57 3.20 -1.18 -1.46 116.97 120.60 3cv5 h TYR 506 Ca 0.20 0.01 -0.15 0.00 3.14 0.00 0.00 58.73 61.93 3cv5 h TYR 506 Cb 0.11 -0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.03 3cv5 h TYR 506 CO -0.00 0.67 -0.41 -0.09 -1.64 0.00 0.00 178.16 176.69 3cv5 h ARG 507 N 1.08 0.82 0.00 1.82 2.43 -1.04 -2.68 114.38 116.81 3cv5 h ARG 507 Ca 0.29 -0.44 -0.06 0.00 -0.81 0.00 0.00 59.98 58.97 3cv5 h ARG 507 Cb -0.07 0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3cv5 h ARG 507 CO -0.06 1.07 -0.27 -0.07 -1.51 0.00 0.00 179.97 179.14 3cv5 h LEU 508 N 0.66 0.00 -3.03 3.80 3.38 -0.57 -3.29 115.31 116.26 3cv5 h LEU 508 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3cv5 h LEU 508 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3cv5 h LEU 508 CO 0.09 0.27 0.00 0.18 0.09 0.00 0.00 178.44 179.07 3cv5 n LEU 509 N -3.33 2.54 -4.31 1.67 4.77 -0.59 -4.86 117.00 112.89 3cv5 n LEU 509 Ca 0.01 -2.72 -0.32 0.00 -0.03 0.00 0.00 56.01 52.95 3cv5 n LEU 509 Cb 0.50 -0.32 -0.16 0.00 -2.33 0.00 0.00 43.42 41.11 3cv5 n LEU 509 CO 0.35 0.65 -0.53 -0.89 -1.33 0.00 0.00 177.39 175.65 3cv5 s THR 510 N -2.26 2.39 -0.12 -5.08 2.01 -1.01 -0.33 115.64 111.24 3cv5 s THR 510 Ca 0.25 -0.93 -0.39 0.00 0.31 0.00 0.00 61.69 60.93 3cv5 s THR 510 Cb 0.21 -1.92 -0.16 0.00 0.01 0.00 0.00 72.50 70.64 3cv5 s THR 510 CO 0.04 0.56 1.58 1.17 -0.69 0.00 0.00 174.62 177.28 3cv5 n LYS 511 N 3.08 1.17 -0.35 4.92 4.81 -0.33 -4.73 118.16 126.74 3cv5 n LYS 511 Ca -0.18 0.43 0.10 0.00 -0.87 0.00 0.00 58.31 57.79 3cv5 n LYS 511 Cb 0.52 -2.10 0.29 0.00 0.02 0.00 0.00 35.03 33.76 3cv5 n LYS 511 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 3cv5 h PRO 512 N 6.15 0.85 0.00 1.64 0.11 -1.92 -0.59 132.00 138.23 3cv5 h PRO 512 Ca -0.47 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3cv5 h PRO 512 Cb 1.32 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3cv5 h PRO 512 CO 0.88 0.56 0.00 -1.13 -0.21 0.00 0.00 178.00 178.10 3cv5 n SER 513 N -4.68 0.00 -0.06 -2.05 3.41 -1.26 -3.03 113.62 105.95 3cv5 n SER 513 Ca 0.21 0.04 -0.05 0.00 -0.26 0.00 0.00 58.87 58.81 3cv5 n SER 513 Cb 0.46 -0.30 -0.10 0.00 -0.26 0.00 0.00 64.21 64.02 3cv5 n SER 513 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3cv5 n ILE 514 N -1.30 0.76 -1.69 -1.33 5.41 -0.34 -5.00 119.36 115.87 3cv5 n ILE 514 Ca 0.09 -0.50 -0.54 0.00 1.00 0.00 0.00 62.75 62.80 3cv5 n ILE 514 Cb 0.15 -0.60 -0.06 0.00 -0.71 0.00 0.00 39.64 38.42 3cv5 n ILE 514 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3cv5 n TYR 515 N -2.41 2.08 -3.32 1.39 9.36 -0.56 -4.93 117.16 118.78 3cv5 n TYR 515 Ca -0.18 0.39 -0.26 0.00 3.32 0.00 0.00 57.90 61.17 3cv5 n TYR 515 Cb 0.85 -2.50 -0.09 0.00 -0.63 0.00 0.00 39.34 36.96 3cv5 n TYR 515 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 3cv5 n SER 516 N 5.37 -0.19 -4.75 2.98 2.88 -1.26 -5.03 113.62 113.61 3cv5 n SER 516 Ca 0.24 -2.50 -0.40 0.00 -1.33 0.00 0.00 58.87 54.88 3cv5 n SER 516 Cb 0.18 -0.59 -0.05 0.00 -0.75 0.00 0.00 64.21 63.01 3cv5 n SER 516 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 3cv5 s PRO 517 N -0.43 4.73 -0.31 -1.46 0.04 -1.26 -5.02 135.00 131.30 3cv5 s PRO 517 Ca 0.34 1.65 -0.07 0.00 0.04 0.00 0.00 61.00 62.96 3cv5 s PRO 517 Cb 0.09 -3.24 0.02 0.00 0.04 0.00 0.00 34.50 31.41 3cv5 s PRO 517 CO -0.17 0.33 0.08 0.34 0.04 0.00 0.00 177.00 177.63 3cv5 s ASP 518 N -0.92 5.17 0.00 6.66 -1.08 -1.26 -5.02 116.67 120.22 3cv5 s ASP 518 Ca 0.43 -0.87 0.16 0.00 -0.52 0.00 0.00 52.55 51.75 3cv5 s ASP 518 Cb -0.29 -1.87 0.77 0.00 -1.46 0.00 0.00 42.92 40.07 3cv5 s ASP 518 CO 0.36 -0.24 1.46 0.49 0.52 0.00 0.00 175.17 177.76 3cv5 n PHE 519 N 4.84 0.00 1.02 -5.34 3.72 -1.26 -1.42 117.46 119.02 3cv5 n PHE 519 Ca -0.14 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.37 3cv5 n PHE 519 Cb 0.47 -0.32 0.00 0.00 -0.94 0.00 0.00 39.48 38.69 3cv5 n PHE 519 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3cv5 n SER 520 N -1.32 1.59 -4.86 4.37 3.41 -1.26 -4.99 113.62 110.56 3cv5 n SER 520 Ca 0.07 -1.27 -0.33 0.00 -0.26 0.00 0.00 58.87 57.08 3cv5 n SER 520 Cb 0.13 0.59 -0.06 0.00 -0.26 0.00 0.00 64.21 64.62 3cv5 n SER 520 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 3cv5 s PHE 521 N -2.65 3.50 -0.63 7.33 5.36 -0.51 -5.04 117.98 125.34 3cv5 s PHE 521 Ca 0.16 0.94 -0.17 0.00 -0.96 0.00 0.00 56.93 56.90 3cv5 s PHE 521 Cb 0.18 -2.30 0.13 0.00 -0.34 0.00 0.00 43.02 40.69 3cv5 s PHE 521 CO 0.66 0.34 0.66 -1.12 -1.46 0.00 0.00 175.22 174.29 3cv5 s SER 522 N -2.10 6.30 0.23 6.13 0.01 -1.26 -4.89 113.70 118.12 3cv5 s SER 522 Ca 0.43 -1.82 0.05 0.00 1.31 0.00 0.00 55.95 55.93 3cv5 s SER 522 Cb -0.13 -2.26 0.22 0.00 0.21 0.00 0.00 66.02 64.07 3cv5 s SER 522 CO 0.20 -0.92 1.54 1.88 0.41 0.00 0.00 173.24 176.35 3cv5 h TYR 523 N 8.82 0.25 -3.98 2.43 0.05 -1.94 -3.42 116.97 119.17 3cv5 h TYR 523 Ca -0.21 -0.10 -0.21 0.00 0.05 0.00 0.00 58.73 58.26 3cv5 h TYR 523 Cb 1.08 -0.04 -0.20 0.00 1.01 0.00 0.00 36.73 38.58 3cv5 h TYR 523 CO 0.84 0.79 -0.71 -0.06 -1.05 0.00 0.00 178.16 177.97 3cv5 s PHE 524 N -3.64 0.48 -0.02 4.88 0.40 -1.26 -0.61 117.98 118.21 3cv5 s PHE 524 Ca -0.03 -0.57 0.03 0.00 -0.60 0.00 0.00 56.93 55.75 3cv5 s PHE 524 Cb 0.12 -0.31 -0.03 0.00 0.51 0.00 0.00 43.02 43.31 3cv5 s PHE 524 CO 0.80 -0.16 -0.08 0.95 0.70 0.00 0.00 175.22 177.43 3cv5 s THR 525 N -1.70 3.59 0.42 0.64 -4.23 -0.58 -4.86 115.64 108.92 3cv5 s THR 525 Ca -0.11 -0.68 -0.24 0.00 -1.18 0.00 0.00 61.69 59.48 3cv5 s THR 525 Cb -0.08 -2.52 -0.08 0.00 1.34 0.00 0.00 72.50 71.16 3cv5 s THR 525 CO -0.01 0.48 1.15 -0.76 -0.54 0.00 0.00 174.62 174.94 3cv5 s LEU 526 N -1.16 4.12 -0.20 4.79 1.43 -1.26 -0.87 118.68 125.53 3cv5 s LEU 526 Ca 0.15 2.30 0.01 0.00 -1.03 0.00 0.00 54.13 55.56 3cv5 s LEU 526 Cb -0.11 -4.12 0.04 0.00 0.03 0.00 0.00 46.19 42.03 3cv5 s LEU 526 CO 0.05 -0.74 -0.14 -0.62 0.23 0.00 0.00 176.35 175.13 3cv5 s ASP 527 N -1.26 3.42 -0.18 2.29 2.15 -0.24 -4.89 116.67 117.95 3cv5 s ASP 527 Ca 0.59 -0.86 0.01 0.00 0.43 0.00 0.00 52.55 52.72 3cv5 s ASP 527 Cb -0.29 -1.36 0.02 0.00 -0.30 0.00 0.00 42.92 40.99 3cv5 s ASP 527 CO 0.36 -0.10 -0.19 -0.62 -0.17 0.00 0.00 175.17 174.45 3cv5 s ASP 528 N 1.32 3.21 0.35 -0.34 -1.08 -1.26 -4.21 116.67 114.66 3cv5 s ASP 528 Ca 0.00 -0.65 0.26 0.00 -0.52 0.00 0.00 52.55 51.64 3cv5 s ASP 528 Cb -0.15 -1.49 0.80 0.00 -1.46 0.00 0.00 42.92 40.61 3cv5 s ASP 528 CO -0.09 -0.00 1.75 0.28 0.52 0.00 0.00 175.17 177.62 3cv5 h SER 529 N 7.95 0.00 0.00 -0.34 0.02 -1.99 -3.35 113.55 115.84 3cv5 h SER 529 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 3cv5 h SER 529 Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.68 3cv5 h SER 529 CO 0.63 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.86 3cv5 n ARG 530 N -2.66 1.42 -3.71 3.45 1.74 -1.26 -4.38 116.66 111.25 3cv5 n ARG 530 Ca 0.04 -1.02 -0.12 0.00 -0.77 0.00 0.00 57.85 55.98 3cv5 n ARG 530 Cb 0.40 -0.89 -0.12 0.00 -1.02 0.00 0.00 32.46 30.83 3cv5 n ARG 530 CO 0.00 0.00 0.00 -0.46 -1.52 0.00 0.00 177.63 175.65 3cv5 s TRP 531 N -0.55 -0.41 -0.34 -1.55 -0.11 -1.26 -4.02 118.94 110.70 3cv5 s TRP 531 Ca 0.00 0.94 0.24 0.00 1.22 0.00 0.00 56.10 58.49 3cv5 s TRP 531 Cb 0.00 0.10 1.09 0.00 -1.50 0.00 0.00 33.47 33.16 3cv5 s TRP 531 CO 0.00 -0.27 1.72 -1.35 -4.62 0.00 0.00 176.95 172.42 3cv5 h PRO 532 N 7.28 0.00 0.00 5.86 0.11 -1.88 -3.43 132.00 139.94 3cv5 h PRO 532 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3cv5 h PRO 532 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3cv5 h PRO 532 CO 0.33 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.53 3cv5 n GLY 533 N -0.45 2.50 3.72 -0.55 0.00 -1.26 -4.27 105.19 104.89 3cv5 n GLY 533 Ca 0.01 -1.81 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 3cv5 n GLY 533 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3cv5 s SER 534 N 0.00 6.49 0.00 1.61 0.15 -1.26 -1.01 113.70 119.68 3cv5 s SER 534 Ca 0.00 2.74 0.00 0.00 0.70 0.00 0.00 55.95 59.39 3cv5 s SER 534 Cb 0.00 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 3cv5 s SER 534 CO 0.00 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 174.15 3cv5 n GLY 535 N 3.84 1.54 0.26 9.45 0.00 -1.26 -4.87 105.19 114.16 3cv5 n GLY 535 Ca 0.15 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 3cv5 n GLY 535 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3cv5 n VAL 536 N -2.00 1.39 -3.80 1.61 0.31 -0.18 -4.99 118.33 110.67 3cv5 n VAL 536 Ca 0.00 -0.01 -0.13 0.00 -0.01 0.00 0.00 64.34 64.19 3cv5 n VAL 536 Cb 0.00 -2.07 -0.14 0.00 -0.91 0.00 0.00 33.84 30.72 3cv5 n VAL 536 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 3cv5 s GLU 537 N -2.63 0.07 -0.87 5.55 0.41 -1.02 -4.99 118.70 115.21 3cv5 s GLU 537 Ca -0.27 0.20 -0.25 0.00 -0.41 0.00 0.00 54.97 54.23 3cv5 s GLU 537 Cb 0.07 -0.07 0.04 0.00 -1.78 0.00 0.00 34.13 32.39 3cv5 s GLU 537 CO 0.38 -0.08 1.39 0.34 -0.49 0.00 0.00 175.26 176.80 3cv5 s ASP 538 N 0.54 6.26 0.00 -0.19 -1.08 -1.26 -4.61 116.67 116.32 3cv5 s ASP 538 Ca -0.04 -0.89 0.00 0.00 -0.52 0.00 0.00 52.55 51.10 3cv5 s ASP 538 Cb -0.06 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.84 3cv5 s ASP 538 CO -0.02 -1.73 0.00 -1.54 0.52 0.00 0.00 175.17 172.40 3cv5 n SER 539 N 9.38 1.49 -4.77 -0.34 3.41 -1.26 -5.05 113.62 116.48 3cv5 n SER 539 Ca 0.18 -0.14 -0.40 0.00 -0.26 0.00 0.00 58.87 58.25 3cv5 n SER 539 Cb 0.50 0.58 -0.06 0.00 -0.26 0.00 0.00 64.21 64.97 3cv5 n SER 539 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3cv5 s ARG 540 N -0.88 4.57 0.13 4.33 0.52 -1.26 -5.04 118.95 121.31 3cv5 s ARG 540 Ca 0.00 1.16 -0.21 0.00 -0.52 0.00 0.00 55.73 56.16 3cv5 s ARG 540 Cb 0.00 -3.29 -0.07 0.00 0.52 0.00 0.00 34.95 32.10 3cv5 s ARG 540 CO 0.00 0.48 0.66 0.95 0.02 0.00 0.00 175.30 177.41 3cv5 s THR 541 N -0.83 4.60 -0.00 0.02 -4.23 -1.26 -5.05 115.64 108.89 3cv5 s THR 541 Ca 0.37 1.36 -0.24 0.00 -1.18 0.00 0.00 61.69 62.00 3cv5 s THR 541 Cb -0.23 -3.96 -0.05 0.00 1.34 0.00 0.00 72.50 69.61 3cv5 s THR 541 CO 0.26 0.47 0.73 -0.89 -0.54 0.00 0.00 174.62 174.65 3cv5 s THR 542 N -1.21 4.87 -0.30 3.99 2.01 -1.26 -4.49 115.64 119.25 3cv5 s THR 542 Ca 0.34 1.53 -0.29 0.00 0.31 0.00 0.00 61.69 63.57 3cv5 s THR 542 Cb -0.20 -4.07 0.00 0.00 0.01 0.00 0.00 72.50 68.24 3cv5 s THR 542 CO 0.22 0.32 1.30 -0.63 -0.69 0.00 0.00 174.62 175.14 3cv5 s ILE 543 N 0.27 4.15 -0.38 1.82 1.01 0.59 -4.94 121.20 123.71 3cv5 s ILE 543 Ca 0.38 1.30 -0.17 0.00 0.00 0.00 0.00 60.65 62.15 3cv5 s ILE 543 Cb -0.19 -4.15 0.00 0.00 0.01 0.00 0.00 42.46 38.13 3cv5 s ILE 543 CO 0.21 -0.47 0.43 -0.63 0.00 0.00 0.00 174.94 174.48 3cv5 s ILE 544 N 4.35 5.09 0.18 2.92 1.01 -1.26 -1.64 121.20 131.86 3cv5 s ILE 544 Ca 0.56 -0.06 0.11 0.00 0.00 0.00 0.00 60.65 61.26 3cv5 s ILE 544 Cb -0.17 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.31 3cv5 s ILE 544 CO 0.23 -0.27 -0.24 -0.76 0.00 0.00 0.00 174.94 173.90 3cv5 s LEU 545 N 2.17 2.42 0.00 2.97 1.43 -1.26 -4.73 118.68 121.68 3cv5 s LEU 545 Ca 0.14 -0.86 0.00 0.00 -1.03 0.00 0.00 54.13 52.38 3cv5 s LEU 545 Cb -0.16 -1.13 0.00 0.00 0.03 0.00 0.00 46.19 44.92 3cv5 s LEU 545 CO 0.13 0.11 0.00 0.61 0.23 0.00 0.00 176.35 177.43 3cv5 n GLY 546 N 0.33 1.34 0.34 -3.19 0.00 -0.27 -4.78 105.19 98.95 3cv5 n GLY 546 Ca -0.13 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 45.84 3cv5 n GLY 546 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3cv5 h GLU 547 N 0.00 0.26 -0.56 1.61 4.81 -1.97 -0.02 114.58 118.70 3cv5 h GLU 547 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3cv5 h GLU 547 Cb 0.00 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.32 3cv5 h GLU 547 CO 0.00 0.17 0.00 -0.25 -0.73 0.00 0.00 179.01 178.20 3cv5 n ASP 548 N -4.46 5.05 0.00 1.04 8.00 -1.26 -4.69 116.55 120.23 3cv5 n ASP 548 Ca 0.07 -2.71 0.00 0.00 0.71 0.00 0.00 54.79 52.85 3cv5 n ASP 548 Cb 0.34 -0.61 0.00 0.00 -0.02 0.00 0.00 41.12 40.82 3cv5 n ASP 548 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3cv5 n ILE 549 N 0.70 0.00 -3.32 0.53 0.13 -0.45 -5.13 119.36 111.81 3cv5 n ILE 549 Ca 0.26 0.00 0.03 0.00 -1.10 0.00 0.00 62.75 61.93 3cv5 n ILE 549 Cb 1.01 -0.43 -0.03 0.00 -0.84 0.00 0.00 39.64 39.36 3cv5 n ILE 549 CO 0.00 0.00 0.00 -0.22 2.80 0.00 0.00 176.55 179.13 3cv5 s LEU 550 N -4.71 -0.71 0.31 9.51 2.96 -0.15 -4.94 118.68 120.95 3cv5 s LEU 550 Ca 0.00 0.74 0.16 0.00 -0.22 0.00 0.00 54.13 54.81 3cv5 s LEU 550 Cb 0.00 1.71 0.38 0.00 0.50 0.00 0.00 46.19 48.79 3cv5 s LEU 550 CO 0.00 -0.13 1.59 1.55 -1.32 0.00 0.00 176.35 178.04 3cv5 h PRO 551 N 7.73 0.00 -3.31 0.98 0.13 -1.91 -0.71 132.00 134.92 3cv5 h PRO 551 Ca -0.16 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.95 3cv5 h PRO 551 Cb 1.13 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.17 3cv5 h PRO 551 CO 0.06 0.50 0.03 -1.54 -0.23 0.00 0.00 178.00 176.83 3cv5 s SER 552 N -6.51 -0.25 -0.11 1.44 1.04 -1.26 -1.32 113.70 106.73 3cv5 s SER 552 Ca 0.01 -0.51 -0.05 0.00 0.48 0.00 0.00 55.95 55.87 3cv5 s SER 552 Cb 0.10 0.59 0.05 0.00 0.10 0.00 0.00 66.02 66.86 3cv5 s SER 552 CO 0.72 -1.08 0.25 -0.75 0.98 0.00 0.00 173.24 173.37 3cv5 s LYS 553 N -3.88 0.21 0.19 4.02 2.47 -0.08 -4.98 119.74 117.69 3cv5 s LYS 553 Ca 0.10 0.54 -0.30 0.00 -1.56 0.00 0.00 55.97 54.75 3cv5 s LYS 553 Cb -0.01 -0.12 -0.08 0.00 -1.46 0.00 0.00 37.83 36.16 3cv5 s LYS 553 CO -0.02 -0.16 0.99 -1.01 0.16 0.00 0.00 175.35 175.31 3cv5 s HIS 554 N 1.27 3.83 0.09 4.03 3.76 -1.26 -0.75 115.29 126.26 3cv5 s HIS 554 Ca -0.09 1.81 0.05 0.00 -0.15 0.00 0.00 55.06 56.68 3cv5 s HIS 554 Cb -0.10 -3.08 -0.03 0.00 1.11 0.00 0.00 32.58 30.48 3cv5 s HIS 554 CO -0.09 0.12 -0.14 0.14 -0.85 0.00 0.00 174.74 173.92 3cv5 s VAL 555 N -0.66 1.19 -0.02 -0.90 -7.23 -0.20 -1.89 120.40 110.69 3cv5 s VAL 555 Ca 0.44 -1.44 0.02 0.00 -1.81 0.00 0.00 61.98 59.19 3cv5 s VAL 555 Cb -0.26 -1.23 0.00 0.00 0.56 0.00 0.00 36.38 35.45 3cv5 s VAL 555 CO 0.33 -0.28 -0.07 -0.69 -0.31 0.00 0.00 175.10 174.07 3cv5 s VAL 556 N -1.55 0.65 -0.08 1.32 1.01 -0.32 -0.69 120.40 120.73 3cv5 s VAL 556 Ca 0.02 -0.29 -0.02 0.00 0.00 0.00 0.00 61.98 61.69 3cv5 s VAL 556 Cb -0.08 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.68 3cv5 s VAL 556 CO 0.02 0.21 0.01 -0.04 0.00 0.00 0.00 175.10 175.30 3cv5 s MET 557 N 0.22 2.99 -0.06 2.72 -1.94 -0.09 -0.51 119.30 122.63 3cv5 s MET 557 Ca -0.03 -0.41 0.02 0.00 -1.71 0.00 0.00 55.69 53.57 3cv5 s MET 557 Cb -0.08 -2.80 -0.03 0.00 2.01 0.00 0.00 34.83 33.93 3cv5 s MET 557 CO 0.00 0.70 -0.11 -1.58 -0.01 0.00 0.00 175.02 174.02 3cv5 s HIS 558 N -0.90 2.80 -0.30 -0.03 5.04 -0.07 -1.28 115.29 120.54 3cv5 s HIS 558 Ca 0.14 -0.09 0.03 0.00 -1.54 0.00 0.00 55.06 53.60 3cv5 s HIS 558 Cb -0.11 -1.66 0.08 0.00 0.04 0.00 0.00 32.58 30.92 3cv5 s HIS 558 CO 0.03 0.24 -0.02 1.21 -2.34 0.00 0.00 174.74 173.85 3cv5 s ASN 559 N -0.74 4.60 0.14 9.88 2.47 -0.39 -1.08 114.94 129.82 3cv5 s ASN 559 Ca 0.11 -1.79 0.24 0.00 0.42 0.00 0.00 52.86 51.85 3cv5 s ASN 559 Cb -0.11 -1.58 0.92 0.00 -1.45 0.00 0.00 41.25 39.03 3cv5 s ASN 559 CO 0.01 -0.29 1.74 1.07 -3.72 0.00 0.00 177.10 175.91 3cv5 n THR 560 N 4.35 0.60 -2.87 -5.21 5.66 -1.26 -2.04 114.28 113.51 3cv5 n THR 560 Ca -0.05 0.01 -0.37 0.00 -3.05 0.00 0.00 64.05 60.60 3cv5 n THR 560 Cb 0.42 -0.80 -0.06 0.00 -1.55 0.00 0.00 70.33 68.34 3cv5 n THR 560 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3cv5 s LEU 561 N -3.91 4.34 -0.06 1.09 1.43 -1.26 -4.52 118.68 115.79 3cv5 s LEU 561 Ca 0.09 1.72 -0.00 0.00 -1.03 0.00 0.00 54.13 54.91 3cv5 s LEU 561 Cb 0.12 -3.90 0.04 0.00 0.03 0.00 0.00 46.19 42.48 3cv5 s LEU 561 CO 0.47 -0.04 1.99 -0.81 0.23 0.00 0.00 176.35 178.18 3cv5 n PRO 562 N 0.59 1.14 -3.86 1.29 -0.04 -1.26 -1.42 135.00 131.44 3cv5 n PRO 562 Ca 0.01 -0.28 -0.10 0.00 -0.04 0.00 0.00 63.50 63.09 3cv5 n PRO 562 Cb 0.50 -1.11 -0.09 0.00 -0.04 0.00 0.00 33.50 32.77 3cv5 n PRO 562 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 3cv5 s HIS 563 N -0.32 0.07 0.30 0.54 -3.43 -1.26 -0.67 115.29 110.51 3cv5 s HIS 563 Ca 0.05 -0.30 -0.29 0.00 -0.80 0.00 0.00 55.06 53.72 3cv5 s HIS 563 Cb 0.04 -0.05 -0.13 0.00 -1.43 0.00 0.00 32.58 31.02 3cv5 s HIS 563 CO -0.00 -0.42 1.34 0.91 -2.00 0.00 0.00 174.74 174.58 3cv5 n TRP 564 N 0.71 2.23 -3.82 0.38 7.02 -1.26 -3.87 117.44 118.83 3cv5 n TRP 564 Ca -0.19 0.49 -0.14 0.00 -1.02 0.00 0.00 57.50 56.64 3cv5 n TRP 564 Cb 0.59 -2.44 -0.15 0.00 -2.42 0.00 0.00 31.31 26.89 3cv5 n TRP 564 CO 0.00 0.00 0.00 0.50 -2.02 0.00 0.00 177.69 176.17 3cv5 s ARG 565 N -1.19 0.00 -0.03 -0.99 3.52 -0.68 -4.95 118.95 114.63 3cv5 s ARG 565 Ca 0.61 0.11 -0.01 0.00 -0.13 0.00 0.00 55.73 56.31 3cv5 s ARG 565 Cb -0.60 -0.17 -0.04 0.00 -1.56 0.00 0.00 34.95 32.58 3cv5 s ARG 565 CO 0.56 -0.10 0.06 -1.21 -0.81 0.00 0.00 175.30 173.80 3cv5 s GLU 566 N 0.66 3.05 -0.22 5.12 2.02 -1.26 -0.94 118.70 127.12 3cv5 s GLU 566 Ca -0.06 -0.45 -0.23 0.00 0.02 0.00 0.00 54.97 54.26 3cv5 s GLU 566 Cb -0.08 -2.85 0.06 0.00 0.10 0.00 0.00 34.13 31.36 3cv5 s GLU 566 CO -0.02 0.67 0.63 -1.14 0.02 0.00 0.00 175.26 175.42 3cv5 s GLN 567 N -1.48 0.76 0.31 1.61 0.74 -0.71 -4.99 119.66 115.90 3cv5 s GLN 567 Ca 0.20 0.82 -0.29 0.00 0.05 0.00 0.00 55.36 56.14 3cv5 s GLN 567 Cb -0.12 0.37 -0.10 0.00 1.10 0.00 0.00 33.01 34.26 3cv5 s GLN 567 CO 0.10 -0.11 1.31 -0.51 -0.55 0.00 0.00 175.29 175.54 3cv5 s LEU 568 N 0.21 4.43 0.08 3.68 1.43 -1.26 -1.21 118.68 126.03 3cv5 s LEU 568 Ca -0.01 2.65 0.07 0.00 -1.03 0.00 0.00 54.13 55.81 3cv5 s LEU 568 Cb -0.04 -3.64 -0.03 0.00 0.03 0.00 0.00 46.19 42.51 3cv5 s LEU 568 CO 0.02 -0.53 -0.18 0.68 0.23 0.00 0.00 176.35 176.56 3cv5 s VAL 569 N -0.93 1.43 0.13 -1.59 -7.23 0.00 -4.90 120.40 107.32 3cv5 s VAL 569 Ca 0.50 -1.38 0.08 0.00 -1.81 0.00 0.00 61.98 59.38 3cv5 s VAL 569 Cb -0.39 -1.32 -0.04 0.00 0.56 0.00 0.00 36.38 35.19 3cv5 s VAL 569 CO 0.50 -0.09 -0.18 1.51 -0.31 0.00 0.00 175.10 176.53 3cv5 s ASP 570 N -1.71 2.46 0.04 4.85 1.47 -1.26 -1.70 116.67 120.83 3cv5 s ASP 570 Ca 0.03 -0.78 0.02 0.00 1.18 0.00 0.00 52.55 52.99 3cv5 s ASP 570 Cb -0.10 -0.13 -0.03 0.00 -0.34 0.00 0.00 42.92 42.33 3cv5 s ASP 570 CO 0.03 -0.03 -0.07 -0.36 0.68 0.00 0.00 175.17 175.42 3cv5 s PHE 571 N -1.74 0.65 0.10 2.11 0.08 -0.40 -4.93 117.98 113.84 3cv5 s PHE 571 Ca 0.11 -0.54 -0.25 0.00 0.12 0.00 0.00 56.93 56.36 3cv5 s PHE 571 Cb -0.07 -0.39 -0.07 0.00 -0.57 0.00 0.00 43.02 41.92 3cv5 s PHE 571 CO 0.05 -0.10 0.77 0.71 -0.10 0.00 0.00 175.22 176.55 3cv5 s TYR 572 N -1.59 3.82 0.07 0.36 2.02 -1.26 -1.10 117.35 119.67 3cv5 s TYR 572 Ca -0.09 1.55 0.03 0.00 -0.37 0.00 0.00 57.07 58.19 3cv5 s TYR 572 Cb -0.09 -2.80 -0.03 0.00 -0.40 0.00 0.00 41.96 38.64 3cv5 s TYR 572 CO -0.00 0.39 -0.08 0.14 -1.57 0.00 0.00 175.55 174.42 3cv5 s VAL 573 N -0.57 0.73 -2.22 0.71 -7.23 -0.08 -0.30 120.40 111.44 3cv5 s VAL 573 Ca 0.37 -1.47 0.20 0.00 -1.81 0.00 0.00 61.98 59.27 3cv5 s VAL 573 Cb -0.22 -1.12 0.46 0.00 0.56 0.00 0.00 36.38 36.06 3cv5 s VAL 573 CO 0.25 -0.55 1.56 -1.54 -0.31 0.00 0.00 175.10 174.51 3cv5 n SER 574 N 0.81 1.40 -3.87 4.85 3.41 -0.65 -0.68 113.62 118.89 3cv5 n SER 574 Ca -0.18 -1.67 -0.11 0.00 -0.26 0.00 0.00 58.87 56.64 3cv5 n SER 574 Cb 0.57 -0.09 -0.11 0.00 -0.26 0.00 0.00 64.21 64.32 3cv5 n SER 574 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 3cv5 s SER 575 N -1.55 -0.00 0.25 4.04 0.15 -1.26 -4.74 113.70 110.58 3cv5 s SER 575 Ca 0.31 -0.08 0.25 0.00 0.70 0.00 0.00 55.95 57.13 3cv5 s SER 575 Cb 0.16 0.21 0.87 0.00 -1.71 0.00 0.00 66.02 65.56 3cv5 s SER 575 CO 0.25 -0.25 1.75 1.55 1.20 0.00 0.00 173.24 177.75 3cv5 h PRO 576 N 4.90 0.00 -3.73 5.44 0.13 -1.91 -3.41 132.00 133.43 3cv5 h PRO 576 Ca -0.29 0.00 -0.79 0.00 -0.87 0.00 0.00 66.00 64.05 3cv5 h PRO 576 Cb 1.20 0.00 -0.26 0.00 0.13 0.00 0.00 31.00 32.07 3cv5 h PRO 576 CO 0.41 0.00 0.70 1.19 -0.23 0.00 0.00 178.00 180.07 3cv5 n PHE 577 N -2.31 4.90 -4.19 1.56 3.72 -1.26 -4.94 117.46 114.94 3cv5 n PHE 577 Ca 0.04 -3.66 -0.18 0.00 -0.05 0.00 0.00 57.45 53.59 3cv5 n PHE 577 Cb 0.36 -1.77 -0.16 0.00 -0.94 0.00 0.00 39.48 36.98 3cv5 n PHE 577 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 3cv5 s VAL 578 N -0.85 0.51 0.14 -4.37 1.01 -1.26 -0.96 120.40 114.63 3cv5 s VAL 578 Ca 0.33 -0.18 0.11 0.00 0.00 0.00 0.00 61.98 62.24 3cv5 s VAL 578 Cb -0.07 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.78 3cv5 s VAL 578 CO -0.04 0.19 -0.26 -0.94 0.00 0.00 0.00 175.10 174.04 3cv5 s SER 579 N 0.45 3.32 -0.04 3.32 1.04 -0.09 -4.80 113.70 116.90 3cv5 s SER 579 Ca -0.06 -0.78 0.03 0.00 0.48 0.00 0.00 55.95 55.62 3cv5 s SER 579 Cb -0.09 -0.23 -0.03 0.00 0.10 0.00 0.00 66.02 65.77 3cv5 s SER 579 CO -0.00 0.16 -0.10 -0.69 0.98 0.00 0.00 173.24 173.59 3cv5 s VAL 580 N -1.22 3.42 0.08 5.02 1.01 -1.26 -1.22 120.40 126.23 3cv5 s VAL 580 Ca 0.15 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.50 3cv5 s VAL 580 Cb -0.09 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.85 3cv5 s VAL 580 CO 0.07 0.54 -0.09 0.42 0.00 0.00 0.00 175.10 176.04 3cv5 s THR 581 N -0.83 0.78 0.84 3.92 -4.23 -0.51 -1.14 115.64 114.47 3cv5 s THR 581 Ca 0.13 -1.59 -0.11 0.00 -1.18 0.00 0.00 61.69 58.94 3cv5 s THR 581 Cb -0.11 -1.27 0.19 0.00 1.34 0.00 0.00 72.50 72.65 3cv5 s THR 581 CO 0.03 -0.60 1.15 -0.90 -0.54 0.00 0.00 174.62 173.75 3cv5 n ASP 582 N 0.61 0.39 0.00 3.99 5.68 -0.56 -0.70 116.55 125.96 3cv5 n ASP 582 Ca -0.17 -1.60 0.15 0.00 -0.50 0.00 0.00 54.79 52.67 3cv5 n ASP 582 Cb 0.58 -0.85 0.81 0.00 -1.14 0.00 0.00 41.12 40.52 3cv5 n ASP 582 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 3cv5 n LEU 583 N 0.00 0.00 -0.73 -2.12 7.94 -1.24 -1.20 117.00 119.65 3cv5 n LEU 583 Ca 0.15 0.16 0.08 0.00 -1.11 0.00 0.00 56.01 55.29 3cv5 n LEU 583 Cb 0.53 -0.16 0.23 0.00 0.53 0.00 0.00 43.42 44.55 3cv5 n LEU 583 CO 0.38 -0.01 0.68 0.00 -1.11 0.00 0.00 177.39 177.34 3cv5 n ALA 584 N -1.16 2.45 -1.39 1.96 0.00 -1.26 -4.92 120.51 116.19 3cv5 n ALA 584 Ca 0.18 -0.69 -0.14 0.00 0.00 0.00 0.00 53.44 52.79 3cv5 n ALA 584 Cb 0.18 -0.99 -0.06 0.00 0.00 0.00 0.00 19.45 18.58 3cv5 n ALA 584 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3cv5 n ASN 585 N 0.65 -4.77 -4.71 0.00 3.02 -0.34 -4.98 115.26 104.13 3cv5 n ASN 585 Ca 0.15 0.34 -0.42 0.00 -0.03 0.00 0.00 54.58 54.61 3cv5 n ASN 585 Cb 0.35 -3.46 -0.03 0.00 -0.61 0.00 0.00 39.78 36.03 3cv5 n ASN 585 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3cv5 s ASN 586 N -2.79 7.06 0.50 6.41 0.01 -1.26 -4.80 114.94 120.07 3cv5 s ASN 586 Ca 0.00 2.00 -0.23 0.00 -0.71 0.00 0.00 52.86 53.92 3cv5 s ASN 586 Cb 0.00 -2.58 -0.06 0.00 0.41 0.00 0.00 41.25 39.02 3cv5 s ASN 586 CO 0.00 -0.50 1.38 -2.16 -1.51 0.00 0.00 177.10 174.31 3cv5 s PRO 587 N 1.25 3.41 -0.11 -0.60 0.04 -1.26 -1.50 135.00 136.23 3cv5 s PRO 587 Ca 0.59 2.29 0.03 0.00 0.04 0.00 0.00 61.00 63.95 3cv5 s PRO 587 Cb -0.29 -2.44 0.00 0.00 0.04 0.00 0.00 34.50 31.82 3cv5 s PRO 587 CO 0.28 -0.99 -0.23 0.08 0.04 0.00 0.00 177.00 176.18 3cv5 s VAL 588 N -1.27 1.99 0.32 -0.36 1.01 -0.29 -4.86 120.40 116.94 3cv5 s VAL 588 Ca 0.67 -0.97 -0.29 0.00 0.00 0.00 0.00 61.98 61.39 3cv5 s VAL 588 Cb -0.41 -1.74 -0.11 0.00 0.00 0.00 0.00 36.38 34.12 3cv5 s VAL 588 CO 0.51 0.54 1.52 -0.70 0.00 0.00 0.00 175.10 176.97 3cv5 s GLU 589 N 0.50 4.15 0.09 2.72 2.12 -1.26 -4.27 118.70 122.74 3cv5 s GLU 589 Ca -0.15 2.52 -0.01 0.00 0.36 0.00 0.00 54.97 57.69 3cv5 s GLU 589 Cb -0.17 -3.02 -0.04 0.00 0.26 0.00 0.00 34.13 31.16 3cv5 s GLU 589 CO 0.06 -0.54 0.02 0.00 -0.54 0.00 0.00 175.26 174.25 3cv5 s ALA 590 N -0.49 0.65 -0.03 6.30 0.00 -0.30 -4.27 121.76 123.63 3cv5 s ALA 590 Ca 0.58 -1.32 0.03 0.00 0.00 0.00 0.00 51.96 51.26 3cv5 s ALA 590 Cb -0.46 0.55 -0.00 0.00 0.00 0.00 0.00 23.12 23.21 3cv5 s ALA 590 CO 0.53 -0.43 -0.12 -1.14 0.00 0.00 0.00 175.76 174.61 3cv5 s GLN 591 N -3.98 1.18 -0.11 0.00 0.74 0.08 -1.15 119.66 116.43 3cv5 s GLN 591 Ca 0.15 -0.41 -0.01 0.00 0.05 0.00 0.00 55.36 55.14 3cv5 s GLN 591 Cb 0.08 -1.08 -0.03 0.00 1.10 0.00 0.00 33.01 33.08 3cv5 s GLN 591 CO -0.05 0.18 -0.07 0.08 -0.55 0.00 0.00 175.29 174.88 3cv5 s VAL 592 N 0.06 3.63 0.16 1.34 1.01 0.10 -0.37 120.40 126.33 3cv5 s VAL 592 Ca -0.02 -0.48 0.05 0.00 0.00 0.00 0.00 61.98 61.54 3cv5 s VAL 592 Cb -0.09 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 3cv5 s VAL 592 CO 0.01 0.55 -0.11 -0.44 0.00 0.00 0.00 175.10 175.11 3cv5 s SER 593 N -0.19 1.93 0.92 3.32 0.01 -0.32 -1.81 113.70 117.55 3cv5 s SER 593 Ca 0.02 -1.01 -0.12 0.00 1.31 0.00 0.00 55.95 56.16 3cv5 s SER 593 Cb -0.13 -0.03 0.15 0.00 0.21 0.00 0.00 66.02 66.21 3cv5 s SER 593 CO 0.03 -0.30 1.09 -2.84 0.41 0.00 0.00 173.24 171.63 3cv5 s PRO 594 N -3.68 1.03 -0.37 12.44 0.02 -1.26 -0.48 135.00 142.69 3cv5 s PRO 594 Ca 0.17 0.76 -0.16 0.00 0.02 0.00 0.00 61.00 61.80 3cv5 s PRO 594 Cb 0.02 -1.79 0.00 0.00 0.02 0.00 0.00 34.50 32.75 3cv5 s PRO 594 CO 0.02 -2.39 0.38 0.08 -0.33 0.00 0.00 177.00 174.76 3cv5 s VAL 595 N -2.93 5.15 -0.18 3.83 1.01 -1.26 -4.38 120.40 121.65 3cv5 s VAL 595 Ca 0.64 -0.13 -0.06 0.00 0.00 0.00 0.00 61.98 62.43 3cv5 s VAL 595 Cb -0.18 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.27 3cv5 s VAL 595 CO 0.57 -0.21 0.03 0.26 0.00 0.00 0.00 175.10 175.76 3cv5 s TRP 596 N 2.02 3.16 0.06 5.22 0.52 -1.26 -1.53 118.94 127.13 3cv5 s TRP 596 Ca 0.11 -0.11 0.09 0.00 0.02 0.00 0.00 56.10 56.21 3cv5 s TRP 596 Cb -0.17 -2.06 -0.03 0.00 -1.15 0.00 0.00 33.47 30.06 3cv5 s TRP 596 CO 0.12 0.03 -0.24 -1.54 0.02 0.00 0.00 176.95 175.35 3cv5 s SER 597 N 0.52 2.86 -0.06 2.95 1.04 -0.33 -4.95 113.70 115.72 3cv5 s SER 597 Ca 0.01 -0.60 -0.04 0.00 0.48 0.00 0.00 55.95 55.80 3cv5 s SER 597 Cb -0.13 -0.23 -0.04 0.00 0.10 0.00 0.00 66.02 65.72 3cv5 s SER 597 CO 0.02 0.19 0.12 0.26 0.98 0.00 0.00 173.24 174.81 3cv5 s TRP 598 N -0.88 3.47 -0.04 5.02 0.52 -1.26 -0.24 118.94 125.54 3cv5 s TRP 598 Ca 0.10 0.38 0.02 0.00 0.02 0.00 0.00 56.10 56.62 3cv5 s TRP 598 Cb -0.10 -1.85 0.01 0.00 -1.15 0.00 0.00 33.47 30.38 3cv5 s TRP 598 CO 0.03 0.64 -0.07 -1.01 0.02 0.00 0.00 176.95 176.56 3cv5 s HIS 599 N -1.12 0.87 -0.62 -1.98 3.76 -0.37 -4.95 115.29 110.88 3cv5 s HIS 599 Ca 0.20 -0.24 -0.26 0.00 -0.15 0.00 0.00 55.06 54.60 3cv5 s HIS 599 Cb -0.12 -0.68 0.04 0.00 1.11 0.00 0.00 32.58 32.93 3cv5 s HIS 599 CO 0.10 -0.15 1.12 -1.58 -0.85 0.00 0.00 174.74 173.38 3cv5 s HIS 600 N 0.51 2.59 -0.64 1.40 2.46 -1.26 -1.90 115.29 118.45 3cv5 s HIS 600 Ca -0.08 0.08 -0.28 0.00 0.47 0.00 0.00 55.06 55.26 3cv5 s HIS 600 Cb -0.11 -4.39 0.03 0.00 -0.13 0.00 0.00 32.58 27.98 3cv5 s HIS 600 CO 0.01 -1.64 1.21 0.34 -2.47 0.00 0.00 174.74 172.19 3cv5 s ASP 601 N 3.18 6.33 0.00 9.88 -1.08 -0.11 -4.88 116.67 130.00 3cv5 s ASP 601 Ca 0.35 -0.13 0.26 0.00 -0.52 0.00 0.00 52.55 52.51 3cv5 s ASP 601 Cb -0.10 -2.55 1.29 0.00 -1.46 0.00 0.00 42.92 40.10 3cv5 s ASP 601 CO 0.20 -1.61 1.88 0.35 0.52 0.00 0.00 175.17 176.51 3cv5 n THR 602 N 6.54 0.16 -0.05 1.71 -2.24 -1.26 -0.33 114.28 118.81 3cv5 n THR 602 Ca 0.06 0.04 -0.02 0.00 -2.27 0.00 0.00 64.05 61.86 3cv5 n THR 602 Cb 0.49 -0.60 -0.01 0.00 -2.10 0.00 0.00 70.33 68.10 3cv5 n THR 602 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3cv5 h LEU 603 N 0.00 0.00 0.00 3.22 -0.00 -1.95 -3.39 115.31 113.19 3cv5 h LEU 603 Ca 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 3cv5 h LEU 603 Cb 0.28 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.94 3cv5 h LEU 603 CO 0.00 0.58 -0.13 0.35 -0.00 0.00 0.00 178.44 179.24 3cv5 n THR 604 N -4.74 0.20 -3.53 0.22 -2.24 -1.23 -4.95 114.28 98.01 3cv5 n THR 604 Ca -0.02 -0.11 -0.22 0.00 -2.27 0.00 0.00 64.05 61.43 3cv5 n THR 604 Cb 0.08 -0.38 0.08 0.00 -2.10 0.00 0.00 70.33 68.00 3cv5 n THR 604 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3cv5 n LYS 605 N -1.77 -7.52 -4.34 -0.78 4.76 0.56 -5.02 118.16 104.04 3cv5 n LYS 605 Ca 0.06 0.79 -0.18 0.00 -2.87 0.00 0.00 58.31 56.11 3cv5 n LYS 605 Cb 0.37 -5.71 -0.10 0.00 -1.84 0.00 0.00 35.03 27.76 3cv5 n LYS 605 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 3cv5 s THR 606 N -3.30 1.51 -0.24 -0.18 -4.23 -1.18 -4.99 115.64 103.02 3cv5 s THR 606 Ca 0.53 -2.14 -0.05 0.00 -1.18 0.00 0.00 61.69 58.85 3cv5 s THR 606 Cb -0.24 -2.13 -0.01 0.00 1.34 0.00 0.00 72.50 71.47 3cv5 s THR 606 CO 0.69 -0.53 0.00 -0.63 -0.54 0.00 0.00 174.62 173.62 3cv5 s ILE 607 N -3.11 3.64 0.08 2.99 1.01 -1.26 -0.93 121.20 123.62 3cv5 s ILE 607 Ca 0.24 -0.52 -0.13 0.00 0.00 0.00 0.00 60.65 60.24 3cv5 s ILE 607 Cb 0.02 -2.73 0.02 0.00 0.01 0.00 0.00 42.46 39.78 3cv5 s ILE 607 CO 0.07 0.32 0.30 -1.38 0.00 0.00 0.00 174.94 174.24 3cv5 s HIS 608 N 1.50 -0.06 0.14 3.97 -3.43 -0.80 -4.38 115.29 112.24 3cv5 s HIS 608 Ca 0.05 -0.21 -0.09 0.00 -0.80 0.00 0.00 55.06 54.01 3cv5 s HIS 608 Cb -0.15 0.09 -0.06 0.00 -1.43 0.00 0.00 32.58 31.03 3cv5 s HIS 608 CO -0.01 -0.57 0.44 -1.25 -2.00 0.00 0.00 174.74 171.36 3cv5 s PRO 609 N -3.25 3.75 0.00 -0.38 0.04 -1.26 -1.24 135.00 132.66 3cv5 s PRO 609 Ca -0.00 0.15 0.08 0.00 0.04 0.00 0.00 61.00 61.26 3cv5 s PRO 609 Cb 0.02 -2.87 -0.02 0.00 0.04 0.00 0.00 34.50 31.67 3cv5 s PRO 609 CO -0.08 0.47 -0.24 -0.65 0.04 0.00 0.00 177.00 176.54 3cv5 s GLN 610 N -2.35 2.06 -0.01 4.56 -1.52 0.67 -4.95 119.66 118.12 3cv5 s GLN 610 Ca 0.39 -0.96 -0.02 0.00 -1.95 0.00 0.00 55.36 52.82 3cv5 s GLN 610 Cb -0.13 -2.07 -0.04 0.00 -0.22 0.00 0.00 33.01 30.55 3cv5 s GLN 610 CO 0.21 0.55 0.17 0.20 -0.25 0.00 0.00 175.29 176.17 3cv5 s GLY 611 N -0.88 2.16 0.41 3.09 0.00 -1.26 -1.19 107.32 109.65 3cv5 s GLY 611 Ca 0.11 -0.78 -0.24 0.00 0.00 0.00 0.00 44.72 43.81 3cv5 s GLY 611 CO 0.01 -0.67 1.09 -0.45 0.00 0.00 0.00 173.10 173.07 3cv5 s SER 612 N -1.94 6.59 0.00 1.64 0.15 -0.58 -4.91 113.70 114.65 3cv5 s SER 612 Ca 0.27 2.14 0.18 0.00 0.70 0.00 0.00 55.95 59.24 3cv5 s SER 612 Cb -0.13 -2.59 0.33 0.00 -1.71 0.00 0.00 66.02 61.92 3cv5 s SER 612 CO 0.18 -0.61 1.25 0.35 1.20 0.00 0.00 173.24 175.61 3cv5 n THR 613 N -0.15 0.51 -0.08 6.45 -2.24 -1.26 -4.58 114.28 112.92 3cv5 n THR 613 Ca 0.05 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 3cv5 n THR 613 Cb 0.49 0.93 0.00 0.00 -2.10 0.00 0.00 70.33 69.65 3cv5 n THR 613 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3cv5 n THR 614 N 1.10 0.00 -4.72 4.28 -2.24 -1.26 -4.19 114.28 107.25 3cv5 n THR 614 Ca 0.15 -0.12 -0.26 0.00 -2.27 0.00 0.00 64.05 61.55 3cv5 n THR 614 Cb 0.50 1.08 -0.14 0.00 -2.10 0.00 0.00 70.33 69.67 3cv5 n THR 614 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3cv5 s LYS 615 N -0.21 1.45 0.07 -0.78 1.02 -1.26 -4.43 119.74 115.60 3cv5 s LYS 615 Ca 0.00 -0.90 0.00 0.00 0.02 0.00 0.00 55.97 55.09 3cv5 s LYS 615 Cb 0.00 -1.54 -0.04 0.00 -0.52 0.00 0.00 37.83 35.74 3cv5 s LYS 615 CO 0.00 0.40 -0.05 0.71 -0.92 0.00 0.00 175.35 175.49 3cv5 s TYR 616 N -0.74 0.67 -0.22 3.18 2.02 0.14 -4.03 117.35 118.38 3cv5 s TYR 616 Ca 0.08 -0.95 -0.11 0.00 -0.37 0.00 0.00 57.07 55.72 3cv5 s TYR 616 Cb -0.09 -0.43 -0.05 0.00 -0.40 0.00 0.00 41.96 40.99 3cv5 s TYR 616 CO 0.01 -0.26 0.16 1.03 -1.57 0.00 0.00 175.55 174.93 3cv5 s ARG 617 N -3.64 4.13 -0.11 -0.62 0.52 0.37 -0.90 118.95 118.71 3cv5 s ARG 617 Ca 0.07 -0.22 -0.03 0.00 -0.52 0.00 0.00 55.73 55.03 3cv5 s ARG 617 Cb 0.05 -3.48 -0.03 0.00 0.52 0.00 0.00 34.95 32.00 3cv5 s ARG 617 CO -0.07 0.16 0.01 -1.50 0.02 0.00 0.00 175.30 173.93 3cv5 s ILE 618 N 0.75 4.37 -0.04 1.52 2.07 -0.26 -1.18 121.20 128.43 3cv5 s ILE 618 Ca 0.08 -0.21 0.02 0.00 -1.41 0.00 0.00 60.65 59.13 3cv5 s ILE 618 Cb -0.12 -2.87 0.01 0.00 0.13 0.00 0.00 42.46 39.60 3cv5 s ILE 618 CO 0.02 0.56 -0.10 -0.63 -1.91 0.00 0.00 174.94 172.89 3cv5 s ILE 619 N -0.47 0.88 0.18 2.00 1.01 0.51 -1.28 121.20 124.03 3cv5 s ILE 619 Ca 0.09 -0.37 -0.17 0.00 0.00 0.00 0.00 60.65 60.20 3cv5 s ILE 619 Cb -0.12 -0.82 0.03 0.00 0.01 0.00 0.00 42.46 41.57 3cv5 s ILE 619 CO 0.02 0.29 0.50 0.72 0.00 0.00 0.00 174.94 176.47 3cv5 s PHE 620 N 0.52 -0.16 -0.32 3.97 -0.71 -0.69 -0.74 117.98 119.86 3cv5 s PHE 620 Ca -0.09 -0.17 -0.24 0.00 -1.04 0.00 0.00 56.93 55.39 3cv5 s PHE 620 Cb -0.13 0.37 0.00 0.00 -1.21 0.00 0.00 43.02 42.05 3cv5 s PHE 620 CO 0.02 -0.86 0.80 0.21 -1.34 0.00 0.00 175.22 174.05 3cv5 s LYS 621 N -3.85 3.94 0.03 1.99 2.20 -1.26 -0.82 119.74 121.97 3cv5 s LYS 621 Ca 0.07 0.57 -0.17 0.00 -0.36 0.00 0.00 55.97 56.09 3cv5 s LYS 621 Cb -0.00 -3.74 -0.06 0.00 -1.51 0.00 0.00 37.83 32.52 3cv5 s LYS 621 CO -0.05 -0.72 0.48 0.00 -0.36 0.00 0.00 175.35 174.70 3cv5 s ALA 622 N 3.02 3.65 -0.18 3.13 0.00 -0.35 -4.93 121.76 126.10 3cv5 s ALA 622 Ca 0.33 -0.11 0.01 0.00 0.00 0.00 0.00 51.96 52.18 3cv5 s ALA 622 Cb -0.14 -2.49 0.02 0.00 0.00 0.00 0.00 23.12 20.52 3cv5 s ALA 622 CO 0.13 0.45 -0.18 0.50 0.00 0.00 0.00 175.76 176.66 3cv5 s ARG 623 N -1.12 2.78 -0.02 0.00 3.52 -1.26 -1.73 118.95 121.11 3cv5 s ARG 623 Ca 0.26 -0.81 0.04 0.00 -0.13 0.00 0.00 55.73 55.09 3cv5 s ARG 623 Cb -0.18 -2.50 -0.01 0.00 -1.56 0.00 0.00 34.95 30.71 3cv5 s ARG 623 CO 0.16 -0.25 -0.14 0.08 -0.81 0.00 0.00 175.30 174.34 3cv5 s VAL 624 N 1.32 1.18 1.01 7.11 1.01 -0.12 -4.79 120.40 127.12 3cv5 s VAL 624 Ca 0.04 -0.61 -0.12 0.00 0.00 0.00 0.00 61.98 61.29 3cv5 s VAL 624 Cb -0.14 -1.01 0.20 0.00 0.00 0.00 0.00 36.38 35.44 3cv5 s VAL 624 CO -0.12 0.34 1.08 -2.84 0.00 0.00 0.00 175.10 173.56 3cv5 s PRO 625 N -0.11 0.26 0.25 2.72 0.02 -1.26 -1.69 135.00 135.19 3cv5 s PRO 625 Ca 0.01 1.05 -0.31 0.00 0.02 0.00 0.00 61.00 61.77 3cv5 s PRO 625 Cb -0.08 -1.68 -0.11 0.00 0.02 0.00 0.00 34.50 32.65 3cv5 s PRO 625 CO 0.01 -2.99 1.62 -2.14 -0.33 0.00 0.00 177.00 173.17 3cv5 s PRO 626 N -4.65 4.14 -1.67 5.54 0.02 -1.25 -2.11 135.00 135.01 3cv5 s PRO 626 Ca 0.66 2.55 -0.15 0.00 0.02 0.00 0.00 61.00 64.09 3cv5 s PRO 626 Cb -0.22 -3.06 0.13 0.00 0.02 0.00 0.00 34.50 31.37 3cv5 s PRO 626 CO 0.60 -0.66 0.61 -1.33 -0.33 0.00 0.00 177.00 175.90 3cv5 n MET 627 N 2.93 -2.52 -2.45 5.54 2.81 -0.51 -4.75 117.12 118.17 3cv5 n MET 627 Ca 0.11 0.31 -0.04 0.00 -1.81 0.00 0.00 57.70 56.26 3cv5 n MET 627 Cb 0.37 -4.78 -0.01 0.00 -0.71 0.00 0.00 33.22 28.08 3cv5 n MET 627 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3cv5 n GLY 628 N -1.56 3.89 3.00 3.03 0.00 -0.90 -4.81 105.19 107.84 3cv5 n GLY 628 Ca -0.02 -1.86 -0.13 0.00 0.00 0.00 0.00 46.02 44.01 3cv5 n GLY 628 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cv5 s LEU 629 N 0.00 2.14 -0.02 0.99 1.43 -0.33 -1.26 118.68 121.63 3cv5 s LEU 629 Ca 0.05 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 52.84 3cv5 s LEU 629 Cb 0.00 -0.15 0.02 0.00 0.03 0.00 0.00 46.19 46.09 3cv5 s LEU 629 CO 0.04 -0.10 -0.02 0.00 0.23 0.00 0.00 176.35 176.50 3cv5 s ALA 630 N -0.80 0.37 -0.15 4.21 0.00 -0.40 -1.42 121.76 123.58 3cv5 s ALA 630 Ca -0.05 0.03 -0.07 0.00 0.00 0.00 0.00 51.96 51.87 3cv5 s ALA 630 Cb -0.06 -0.26 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 3cv5 s ALA 630 CO -0.00 -0.01 0.10 0.99 0.00 0.00 0.00 175.76 176.84 3cv5 s THR 631 N 0.65 5.20 0.23 0.00 2.01 -0.32 -0.91 115.64 122.49 3cv5 s THR 631 Ca -0.07 0.10 0.06 0.00 0.31 0.00 0.00 61.69 62.09 3cv5 s THR 631 Cb -0.10 -3.29 -0.05 0.00 0.01 0.00 0.00 72.50 69.06 3cv5 s THR 631 CO -0.01 0.55 -0.07 -0.31 -0.69 0.00 0.00 174.62 174.09 3cv5 s TYR 632 N -0.43 1.69 -0.07 4.92 1.51 0.13 -3.59 117.35 121.51 3cv5 s TYR 632 Ca 0.11 -0.74 0.03 0.00 -1.01 0.00 0.00 57.07 55.46 3cv5 s TYR 632 Cb -0.12 -0.92 0.01 0.00 -0.11 0.00 0.00 41.96 40.82 3cv5 s TYR 632 CO 0.02 0.18 -0.16 0.08 -1.11 0.00 0.00 175.55 174.55 3cv5 s VAL 633 N -3.16 1.42 -0.19 0.71 1.01 0.12 -1.03 120.40 119.28 3cv5 s VAL 633 Ca 0.26 -0.66 -0.06 0.00 0.00 0.00 0.00 61.98 61.52 3cv5 s VAL 633 Cb 0.03 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 3cv5 s VAL 633 CO 0.08 0.42 0.02 -0.76 0.00 0.00 0.00 175.10 174.86 3cv5 s LEU 634 N 0.45 3.51 -0.04 3.92 1.43 0.07 -1.43 118.68 126.58 3cv5 s LEU 634 Ca -0.13 -0.07 0.03 0.00 -1.03 0.00 0.00 54.13 52.93 3cv5 s LEU 634 Cb -0.15 -1.88 0.00 0.00 0.03 0.00 0.00 46.19 44.19 3cv5 s LEU 634 CO 0.05 0.12 -0.13 -0.89 0.23 0.00 0.00 176.35 175.74 3cv5 s THR 635 N 0.65 1.09 0.40 5.49 2.01 -0.36 -0.90 115.64 124.01 3cv5 s THR 635 Ca 0.01 -0.51 -0.17 0.00 0.31 0.00 0.00 61.69 61.33 3cv5 s THR 635 Cb -0.14 -0.96 -0.09 0.00 0.01 0.00 0.00 72.50 71.32 3cv5 s THR 635 CO 0.02 0.33 0.85 -0.51 -0.69 0.00 0.00 174.62 174.62 3cv5 s ILE 636 N 0.28 4.56 0.26 1.82 2.07 -0.44 -0.91 121.20 128.85 3cv5 s ILE 636 Ca -0.06 1.15 0.02 0.00 -1.41 0.00 0.00 60.65 60.35 3cv5 s ILE 636 Cb -0.12 -3.63 -0.04 0.00 0.13 0.00 0.00 42.46 38.80 3cv5 s ILE 636 CO 0.02 -0.34 0.15 -0.94 -1.91 0.00 0.00 174.94 171.92 3cv5 s SER 637 N -2.43 1.05 0.34 4.50 1.04 -0.13 -4.93 113.70 113.13 3cv5 s SER 637 Ca 0.57 -1.49 0.13 0.00 0.48 0.00 0.00 55.95 55.65 3cv5 s SER 637 Cb -0.10 0.35 0.62 0.00 0.10 0.00 0.00 66.02 66.99 3cv5 s SER 637 CO 0.19 -0.85 1.75 0.44 0.98 0.00 0.00 173.24 175.75 3cv5 h ASP 638 N 2.37 0.00 -5.67 7.02 5.19 -1.99 -3.44 116.42 119.89 3cv5 h ASP 638 Ca -0.35 0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 55.72 3cv5 h ASP 638 Cb 1.25 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 40.65 3cv5 h ASP 638 CO 0.53 0.45 -0.35 -0.94 -3.12 0.00 0.00 179.24 175.81 3cv5 s SER 639 N -6.80 1.13 -0.20 6.45 1.04 -1.26 -5.01 113.70 109.04 3cv5 s SER 639 Ca -0.02 -1.57 -0.37 0.00 0.48 0.00 0.00 55.95 54.47 3cv5 s SER 639 Cb 0.13 0.59 -0.13 0.00 0.10 0.00 0.00 66.02 66.71 3cv5 s SER 639 CO 0.73 -1.16 1.84 0.29 0.98 0.00 0.00 173.24 175.92 3cv5 n LYS 640 N -0.56 1.63 -1.83 4.02 5.02 -1.26 -4.84 118.16 120.34 3cv5 n LYS 640 Ca 0.04 0.59 -0.33 0.00 -2.02 0.00 0.00 58.31 56.59 3cv5 n LYS 640 Cb 0.62 -2.38 0.04 0.00 -0.02 0.00 0.00 35.03 33.29 3cv5 n LYS 640 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 3cv5 s PRO 641 N 4.00 2.94 0.38 1.97 0.02 -1.26 -4.96 135.00 138.10 3cv5 s PRO 641 Ca 0.97 1.33 0.05 0.00 0.02 0.00 0.00 61.00 63.37 3cv5 s PRO 641 Cb -0.88 -1.97 0.76 0.00 0.02 0.00 0.00 34.50 32.43 3cv5 s PRO 641 CO 0.58 -1.13 2.02 1.49 -0.33 0.00 0.00 177.00 179.63 3cv5 h GLU 642 N 0.12 0.68 -0.40 5.54 4.81 -1.98 -3.09 114.58 120.26 3cv5 h GLU 642 Ca -0.47 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.72 3cv5 h GLU 642 Cb 1.24 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.46 3cv5 h GLU 642 CO 0.55 0.45 0.00 0.72 -0.73 0.00 0.00 179.01 180.00 3cv5 n HIS 643 N -4.46 1.07 -5.17 0.92 8.25 -1.26 -4.91 115.22 109.65 3cv5 n HIS 643 Ca 0.06 -0.71 -0.31 0.00 -0.26 0.00 0.00 57.72 56.50 3cv5 n HIS 643 Cb 0.10 -0.25 -0.17 0.00 1.12 0.00 0.00 29.99 30.80 3cv5 n HIS 643 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3cv5 s THR 644 N -2.14 1.98 0.36 1.59 2.01 -1.17 -1.15 115.64 117.12 3cv5 s THR 644 Ca 0.41 -0.98 0.08 0.00 0.31 0.00 0.00 61.69 61.51 3cv5 s THR 644 Cb 0.29 -1.71 -0.04 0.00 0.01 0.00 0.00 72.50 71.05 3cv5 s THR 644 CO 0.15 0.54 0.23 -0.94 -0.69 0.00 0.00 174.62 173.91 3cv5 s SER 645 N 0.30 4.88 -0.06 3.53 1.04 -0.30 -4.64 113.70 118.45 3cv5 s SER 645 Ca -0.17 -0.72 0.05 0.00 0.48 0.00 0.00 55.95 55.58 3cv5 s SER 645 Cb -0.17 -0.74 -0.00 0.00 0.10 0.00 0.00 66.02 65.20 3cv5 s SER 645 CO 0.08 -0.40 -0.21 -0.31 0.98 0.00 0.00 173.24 173.39 3cv5 s TYR 646 N -2.42 2.13 0.46 5.02 2.02 -1.26 -0.72 117.35 122.58 3cv5 s TYR 646 Ca 0.41 -0.71 -0.22 0.00 -0.37 0.00 0.00 57.07 56.18 3cv5 s TYR 646 Cb -0.03 -1.42 -0.08 0.00 -0.40 0.00 0.00 41.96 40.03 3cv5 s TYR 646 CO 0.25 -0.26 1.13 0.00 -1.57 0.00 0.00 175.55 175.10 3cv5 s ALA 647 N 0.11 2.95 0.46 3.71 0.00 -0.75 -4.92 121.76 123.32 3cv5 s ALA 647 Ca -0.09 0.85 -0.11 0.00 0.00 0.00 0.00 51.96 52.61 3cv5 s ALA 647 Cb -0.14 -3.35 -0.06 0.00 0.00 0.00 0.00 23.12 19.57 3cv5 s ALA 647 CO 0.04 -0.57 0.85 -1.12 0.00 0.00 0.00 175.76 174.97 3cv5 s SER 648 N -1.50 6.49 -0.03 0.00 0.01 0.24 -4.86 113.70 114.05 3cv5 s SER 648 Ca 0.64 1.24 0.01 0.00 1.31 0.00 0.00 55.95 59.15 3cv5 s SER 648 Cb -0.26 -2.37 0.01 0.00 0.21 0.00 0.00 66.02 63.61 3cv5 s SER 648 CO 0.31 -0.51 -0.04 0.20 0.41 0.00 0.00 173.24 173.61 3cv5 s ASN 649 N -3.34 0.72 -0.11 2.44 0.01 -1.26 -0.98 114.94 112.43 3cv5 s ASN 649 Ca 0.53 -0.10 -0.01 0.00 -0.71 0.00 0.00 52.86 52.58 3cv5 s ASN 649 Cb -0.10 -0.26 0.03 0.00 0.41 0.00 0.00 41.25 41.32 3cv5 s ASN 649 CO 0.35 -0.02 -0.06 -0.22 -1.51 0.00 0.00 177.10 175.64 3cv5 s LEU 650 N 0.53 1.09 -0.31 0.60 2.96 0.53 -0.98 118.68 123.10 3cv5 s LEU 650 Ca -0.06 -0.27 -0.11 0.00 -0.22 0.00 0.00 54.13 53.47 3cv5 s LEU 650 Cb -0.10 -0.78 -0.02 0.00 0.50 0.00 0.00 46.19 45.79 3cv5 s LEU 650 CO -0.00 -0.13 0.19 -0.22 -1.32 0.00 0.00 176.35 174.87 3cv5 s LEU 651 N 1.75 4.21 -0.37 -0.68 1.98 0.22 -0.41 118.68 125.38 3cv5 s LEU 651 Ca 0.05 -0.35 -0.11 0.00 -2.89 0.00 0.00 54.13 50.82 3cv5 s LEU 651 Cb -0.12 -2.08 0.02 0.00 0.66 0.00 0.00 46.19 44.67 3cv5 s LEU 651 CO -0.08 -0.17 0.21 -0.76 -1.89 0.00 0.00 176.35 173.66 3cv5 s LEU 652 N 1.69 4.67 -0.13 -0.68 1.43 0.59 -1.95 118.68 124.30 3cv5 s LEU 652 Ca 0.06 -0.89 -0.31 0.00 -1.03 0.00 0.00 54.13 51.96 3cv5 s LEU 652 Cb -0.17 -2.04 0.13 0.00 0.03 0.00 0.00 46.19 44.14 3cv5 s LEU 652 CO 0.09 -0.36 1.05 0.00 0.23 0.00 0.00 176.35 177.36 3cv5 s ARG 653 N 1.58 0.54 0.35 1.70 1.70 -0.46 -1.78 118.95 122.59 3cv5 s ARG 653 Ca 0.03 -0.08 -0.25 0.00 -0.47 0.00 0.00 55.73 54.95 3cv5 s ARG 653 Cb -0.19 0.25 -0.10 0.00 -0.57 0.00 0.00 34.95 34.35 3cv5 s ARG 653 CO 0.07 -0.21 0.99 0.15 -1.08 0.00 0.00 175.30 175.22 3cv5 s LYS 654 N -2.12 4.43 -0.72 3.89 -0.14 -1.26 -4.28 119.74 119.54 3cv5 s LYS 654 Ca 0.04 1.41 -0.01 0.00 -1.36 0.00 0.00 55.97 56.06 3cv5 s LYS 654 Cb -0.01 -2.71 -0.01 0.00 -1.68 0.00 0.00 37.83 33.42 3cv5 s LYS 654 CO -0.04 0.12 0.61 -1.71 -0.76 0.00 0.00 175.35 173.56 3cv5 n ASN 655 N 0.33 -2.75 -4.82 2.83 5.15 -1.26 -4.99 115.26 109.76 3cv5 n ASN 655 Ca 0.03 -0.40 -0.33 0.00 -0.60 0.00 0.00 54.58 53.28 3cv5 n ASN 655 Cb 0.50 -3.38 -0.03 0.00 -0.53 0.00 0.00 39.78 36.35 3cv5 n ASN 655 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3cv5 s PRO 656 N -4.59 3.76 0.28 1.20 0.04 -1.26 -5.08 135.00 129.34 3cv5 s PRO 656 Ca 0.07 1.15 0.09 0.00 0.04 0.00 0.00 61.00 62.35 3cv5 s PRO 656 Cb -0.01 -2.10 -0.05 0.00 0.04 0.00 0.00 34.50 32.38 3cv5 s PRO 656 CO 0.45 -0.44 -0.12 0.95 0.04 0.00 0.00 177.00 177.88 3cv5 s THR 657 N -2.37 1.99 0.81 1.26 -4.23 -1.26 -5.14 115.64 106.71 3cv5 s THR 657 Ca 0.63 -2.23 -0.13 0.00 -1.18 0.00 0.00 61.69 58.77 3cv5 s THR 657 Cb -0.13 -2.37 0.07 0.00 1.34 0.00 0.00 72.50 71.42 3cv5 s THR 657 CO 0.28 -0.37 1.09 -1.54 -0.54 0.00 0.00 174.62 173.54 3cv5 n SER 658 N -0.59 0.59 -3.44 3.99 3.41 -1.26 -5.01 113.62 111.30 3cv5 n SER 658 Ca -0.06 0.56 -0.27 0.00 -0.26 0.00 0.00 58.87 58.84 3cv5 n SER 658 Cb 0.62 -1.46 -0.11 0.00 -0.26 0.00 0.00 64.21 63.00 3cv5 n SER 658 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3cv5 s LEU 659 N -4.89 1.60 0.53 1.04 1.43 -1.26 -5.10 118.68 112.04 3cv5 s LEU 659 Ca 0.71 -2.98 -0.19 0.00 -1.03 0.00 0.00 54.13 50.64 3cv5 s LEU 659 Cb -0.29 -0.52 -0.06 0.00 0.03 0.00 0.00 46.19 45.34 3cv5 s LEU 659 CO 0.53 -0.19 1.10 -2.16 0.23 0.00 0.00 176.35 175.86 3cv5 s PRO 660 N 0.11 3.45 -0.08 1.29 0.04 -1.26 -4.62 135.00 133.93 3cv5 s PRO 660 Ca 0.30 1.53 0.18 0.00 0.04 0.00 0.00 61.00 63.05 3cv5 s PRO 660 Cb -0.01 -2.03 0.39 0.00 0.04 0.00 0.00 34.50 32.88 3cv5 s PRO 660 CO -0.16 -0.75 1.17 1.28 0.04 0.00 0.00 177.00 178.58 3cv5 n LEU 661 N -1.28 1.61 0.00 -3.56 4.77 -1.26 -4.71 117.00 112.58 3cv5 n LEU 661 Ca 0.11 -2.67 0.00 0.00 -0.03 0.00 0.00 56.01 53.42 3cv5 n LEU 661 Cb 0.51 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 3cv5 n LEU 661 CO 0.42 0.82 0.00 0.61 -1.33 0.00 0.00 177.39 177.91 3cv5 n GLY 662 N -0.23 3.69 0.00 -0.72 0.00 -1.26 -2.10 105.19 104.58 3cv5 n GLY 662 Ca 0.11 0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.29 3cv5 n GLY 662 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3cv5 n GLN 663 N 14.00 0.20 -1.68 1.61 6.02 -1.26 -4.86 117.38 131.41 3cv5 n GLN 663 Ca 0.00 0.01 -0.52 0.00 -0.01 0.00 0.00 57.00 56.48 3cv5 n GLN 663 Cb 0.00 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.70 3cv5 n GLN 663 CO 0.00 0.00 0.00 0.98 -1.01 0.00 0.00 177.06 177.03 3cv5 n TYR 664 N -1.40 2.11 0.88 1.08 9.36 -0.89 -4.85 117.16 123.45 3cv5 n TYR 664 Ca 0.10 0.31 0.11 0.00 3.32 0.00 0.00 57.90 61.74 3cv5 n TYR 664 Cb 0.29 -2.53 0.50 0.00 -0.63 0.00 0.00 39.34 36.97 3cv5 n TYR 664 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3cv5 n PRO 665 N 5.20 0.14 -4.47 2.98 -0.04 -1.26 -4.67 135.00 132.88 3cv5 n PRO 665 Ca 0.23 0.11 -0.34 0.00 -0.04 0.00 0.00 63.50 63.46 3cv5 n PRO 665 Cb 0.22 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.05 3cv5 n PRO 665 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3cv5 s GLU 666 N -2.81 3.53 0.28 0.54 0.41 -1.26 -5.11 118.70 114.28 3cv5 s GLU 666 Ca 0.15 -0.59 -0.29 0.00 -0.41 0.00 0.00 54.97 53.82 3cv5 s GLU 666 Cb 0.14 -2.83 -0.09 0.00 -1.78 0.00 0.00 34.13 29.57 3cv5 s GLU 666 CO 0.37 0.17 1.08 -0.51 -0.49 0.00 0.00 175.26 175.88 3cv5 s ASP 667 N 0.52 7.31 0.37 -0.19 1.01 -1.26 -4.96 116.67 119.46 3cv5 s ASP 667 Ca -0.05 2.22 -0.28 0.00 0.71 0.00 0.00 52.55 55.15 3cv5 s ASP 667 Cb -0.15 -2.62 -0.10 0.00 1.01 0.00 0.00 42.92 41.06 3cv5 s ASP 667 CO 0.03 -0.11 1.36 -0.69 0.21 0.00 0.00 175.17 175.97 3cv5 s VAL 668 N -1.18 2.47 0.13 -1.27 1.01 -1.26 -4.71 120.40 115.60 3cv5 s VAL 668 Ca 0.44 0.46 0.04 0.00 0.00 0.00 0.00 61.98 62.93 3cv5 s VAL 668 Cb -0.31 -3.29 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 3cv5 s VAL 668 CO 0.39 0.10 0.11 -0.54 0.00 0.00 0.00 175.10 175.16 3cv5 s LYS 669 N -2.03 2.87 0.15 2.72 -0.14 -0.16 -4.99 119.74 118.16 3cv5 s LYS 669 Ca 0.53 -0.82 0.08 0.00 -1.36 0.00 0.00 55.97 54.40 3cv5 s LYS 669 Cb -0.41 -2.66 -0.04 0.00 -1.68 0.00 0.00 37.83 33.04 3cv5 s LYS 669 CO 0.55 0.51 -0.18 -0.06 -0.76 0.00 0.00 175.35 175.41 3cv5 s PHE 670 N -1.61 1.80 0.12 3.18 0.40 -1.26 -0.61 117.98 120.00 3cv5 s PHE 670 Ca 0.30 -0.46 -0.26 0.00 -0.60 0.00 0.00 56.93 55.91 3cv5 s PHE 670 Cb -0.11 -0.91 0.07 0.00 0.51 0.00 0.00 43.02 42.58 3cv5 s PHE 670 CO 0.23 0.30 0.90 0.20 0.70 0.00 0.00 175.22 177.55 3cv5 s GLY 671 N -2.55 -0.31 0.60 4.36 0.00 -0.82 -4.92 107.32 103.69 3cv5 s GLY 671 Ca 0.14 0.35 -0.16 0.00 0.00 0.00 0.00 44.72 45.05 3cv5 s GLY 671 CO 0.06 0.09 1.09 0.99 0.00 0.00 0.00 173.10 175.34 3cv5 s ASP 672 N -2.81 5.51 0.24 1.64 1.01 -1.26 -1.35 116.67 119.66 3cv5 s ASP 672 Ca 0.10 1.97 -0.29 0.00 0.71 0.00 0.00 52.55 55.04 3cv5 s ASP 672 Cb -0.02 -2.55 -0.15 0.00 1.01 0.00 0.00 42.92 41.21 3cv5 s ASP 672 CO -0.01 -1.35 0.98 -2.65 0.21 0.00 0.00 175.17 172.34 3cv5 n PRO 673 N -1.98 1.08 -3.44 8.23 -0.02 -1.26 -4.69 135.00 132.92 3cv5 n PRO 673 Ca 0.10 0.38 -0.11 0.00 -2.02 0.00 0.00 63.50 61.85 3cv5 n PRO 673 Cb 0.52 -1.73 -0.02 0.00 -0.02 0.00 0.00 33.50 32.25 3cv5 n PRO 673 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 3cv5 s ARG 674 N -1.15 1.16 0.44 -0.52 1.70 -1.26 -5.00 118.95 114.32 3cv5 s ARG 674 Ca 0.64 -0.42 -0.24 0.00 -0.47 0.00 0.00 55.73 55.24 3cv5 s ARG 674 Cb -0.78 0.53 -0.08 0.00 -0.57 0.00 0.00 34.95 34.06 3cv5 s ARG 674 CO 0.57 -0.51 1.22 -1.21 -1.08 0.00 0.00 175.30 174.30 3cv5 s GLU 675 N -3.55 3.83 0.06 3.89 2.02 -1.26 -4.15 118.70 119.53 3cv5 s GLU 675 Ca 0.02 1.94 -0.01 0.00 0.02 0.00 0.00 54.97 56.95 3cv5 s GLU 675 Cb -0.01 -2.56 -0.04 0.00 0.10 0.00 0.00 34.13 31.62 3cv5 s GLU 675 CO -0.12 -0.54 -0.03 0.96 0.02 0.00 0.00 175.26 175.55 3cv5 s ILE 676 N -1.41 0.30 0.02 -1.63 -4.36 -1.00 -4.98 121.20 108.14 3cv5 s ILE 676 Ca 0.61 -1.84 0.04 0.00 -0.26 0.00 0.00 60.65 59.20 3cv5 s ILE 676 Cb -0.33 -1.58 -0.02 0.00 1.25 0.00 0.00 42.46 41.79 3cv5 s ILE 676 CO 0.41 -0.95 -0.12 -0.55 0.24 0.00 0.00 174.94 173.97 3cv5 s SER 677 N -2.95 1.40 0.05 4.36 0.15 -1.26 -0.64 113.70 114.81 3cv5 s SER 677 Ca 0.09 -0.35 0.02 0.00 0.70 0.00 0.00 55.95 56.41 3cv5 s SER 677 Cb 0.07 -0.11 -0.03 0.00 -1.71 0.00 0.00 66.02 64.25 3cv5 s SER 677 CO -0.08 0.05 -0.07 -0.76 1.20 0.00 0.00 173.24 173.58 3cv5 s LEU 678 N -0.79 2.31 -0.09 3.45 1.43 -0.27 -4.99 118.68 119.72 3cv5 s LEU 678 Ca 0.02 -0.64 -0.04 0.00 -1.03 0.00 0.00 54.13 52.44 3cv5 s LEU 678 Cb -0.06 -0.10 0.05 0.00 0.03 0.00 0.00 46.19 46.10 3cv5 s LEU 678 CO 0.00 -0.27 0.20 -0.60 0.23 0.00 0.00 176.35 175.91 3cv5 s ARG 679 N -2.03 0.12 -0.15 1.70 3.52 -1.26 -1.11 118.95 119.73 3cv5 s ARG 679 Ca -0.06 0.53 -0.04 0.00 -0.13 0.00 0.00 55.73 56.02 3cv5 s ARG 679 Cb -0.07 -0.16 -0.03 0.00 -1.56 0.00 0.00 34.95 33.13 3cv5 s ARG 679 CO -0.01 -0.22 -0.01 0.08 -0.81 0.00 0.00 175.30 174.34 3cv5 s VAL 680 N 1.66 4.18 0.00 7.11 1.01 -1.26 -5.01 120.40 128.08 3cv5 s VAL 680 Ca -0.05 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 61.67 3cv5 s VAL 680 Cb -0.11 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.43 3cv5 s VAL 680 CO -0.07 0.50 0.00 0.61 0.00 0.00 0.00 175.10 176.14 3cv5 n GLY 681 N 3.35 3.03 1.70 4.51 0.00 -1.26 -1.67 105.19 114.85 3cv5 n GLY 681 Ca -0.17 -0.33 0.04 0.00 0.00 0.00 0.00 46.02 45.56 3cv5 n GLY 681 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3cv5 n ASN 682 N 1.29 4.93 -2.04 1.61 3.02 -1.26 -4.98 115.26 117.84 3cv5 n ASN 682 Ca 0.00 -2.82 0.00 0.00 -0.03 0.00 0.00 54.58 51.73 3cv5 n ASN 682 Cb 0.00 -0.67 0.00 0.00 -0.61 0.00 0.00 39.78 38.50 3cv5 n ASN 682 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3cv5 n GLY 683 N 0.45 -0.12 3.75 7.41 0.00 -0.67 -4.98 105.19 111.04 3cv5 n GLY 683 Ca 0.25 -1.79 -0.33 0.00 0.00 0.00 0.00 46.02 44.15 3cv5 n GLY 683 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3cv5 s PRO 684 N -1.42 2.47 -0.23 1.61 0.04 -1.26 -4.81 135.00 131.40 3cv5 s PRO 684 Ca 0.00 1.44 -0.09 0.00 0.04 0.00 0.00 61.00 62.39 3cv5 s PRO 684 Cb 0.00 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 3cv5 s PRO 684 CO 0.00 -1.52 0.12 0.99 0.04 0.00 0.00 177.00 176.63 3cv5 s THR 685 N -2.38 5.01 -0.10 1.26 2.01 -0.02 -4.34 115.64 117.08 3cv5 s THR 685 Ca 0.67 0.06 -0.01 0.00 0.31 0.00 0.00 61.69 62.72 3cv5 s THR 685 Cb -0.22 -3.32 -0.03 0.00 0.01 0.00 0.00 72.50 68.94 3cv5 s THR 685 CO 0.46 0.37 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.97 3cv5 s LEU 686 N 0.98 3.35 -0.01 4.42 1.43 -0.27 -0.84 118.68 127.74 3cv5 s LEU 686 Ca 0.06 0.02 0.05 0.00 -1.03 0.00 0.00 54.13 53.23 3cv5 s LEU 686 Cb -0.14 -1.76 -0.03 0.00 0.03 0.00 0.00 46.19 44.29 3cv5 s LEU 686 CO 0.03 0.32 -0.14 0.00 0.23 0.00 0.00 176.35 176.79 3cv5 s ALA 687 N -0.55 2.69 0.07 4.21 0.00 -0.50 -1.11 121.76 126.56 3cv5 s ALA 687 Ca 0.09 -1.06 0.08 0.00 0.00 0.00 0.00 51.96 51.07 3cv5 s ALA 687 Cb -0.12 -0.91 -0.03 0.00 0.00 0.00 0.00 23.12 22.06 3cv5 s ALA 687 CO 0.02 0.57 -0.21 -0.06 0.00 0.00 0.00 175.76 176.08 3cv5 s PHE 688 N -0.84 1.81 0.97 0.00 0.40 0.19 -0.06 117.98 120.45 3cv5 s PHE 688 Ca 0.14 -0.39 -0.13 0.00 -0.60 0.00 0.00 56.93 55.94 3cv5 s PHE 688 Cb -0.11 -1.04 0.17 0.00 0.51 0.00 0.00 43.02 42.56 3cv5 s PHE 688 CO 0.03 0.15 1.12 -1.54 0.70 0.00 0.00 175.22 175.68 3cv5 s SER 689 N -1.51 2.95 0.16 1.36 1.04 0.28 -2.39 113.70 115.60 3cv5 s SER 689 Ca 0.07 0.99 0.16 0.00 0.48 0.00 0.00 55.95 57.65 3cv5 s SER 689 Cb -0.09 -1.56 0.75 0.00 0.10 0.00 0.00 66.02 65.22 3cv5 s SER 689 CO 0.03 -2.90 1.49 -1.84 0.98 0.00 0.00 173.24 171.00 3cv5 n GLU 690 N -4.00 0.10 -0.28 4.02 0.28 -1.26 -1.17 120.64 118.33 3cv5 n GLU 690 Ca 0.07 0.46 0.09 0.00 -0.16 0.00 0.00 57.16 57.62 3cv5 n GLU 690 Cb 0.59 -1.74 0.25 0.00 1.43 0.00 0.00 31.44 31.97 3cv5 n GLU 690 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 3cv5 n GLN 691 N -1.93 2.29 -0.84 3.44 6.02 -1.26 -4.43 117.38 120.67 3cv5 n GLN 691 Ca 0.01 -2.01 0.00 0.00 -0.01 0.00 0.00 57.00 54.99 3cv5 n GLN 691 Cb 0.12 -1.44 0.00 0.00 1.02 0.00 0.00 30.24 29.94 3cv5 n GLN 691 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3cv5 n GLY 692 N 1.39 0.49 3.54 1.08 0.00 -0.31 -4.89 105.19 106.49 3cv5 n GLY 692 Ca 0.19 -0.78 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 3cv5 n GLY 692 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3cv5 s LEU 693 N 0.00 2.98 0.21 0.99 1.43 -1.26 -4.74 118.68 118.31 3cv5 s LEU 693 Ca 0.00 -0.10 -0.32 0.00 -1.03 0.00 0.00 54.13 52.69 3cv5 s LEU 693 Cb 0.00 -1.63 -0.14 0.00 0.03 0.00 0.00 46.19 44.44 3cv5 s LEU 693 CO 0.00 0.35 1.26 -0.11 0.23 0.00 0.00 176.35 178.08 3cv5 n LEU 694 N 2.29 2.27 -0.00 1.79 7.94 -1.26 -0.56 117.00 129.47 3cv5 n LEU 694 Ca -0.18 1.15 -0.00 0.00 -1.11 0.00 0.00 56.01 55.87 3cv5 n LEU 694 Cb 0.53 -1.32 -0.00 0.00 0.53 0.00 0.00 43.42 43.16 3cv5 n LEU 694 CO 0.26 -0.94 -0.50 2.29 -1.11 0.00 0.00 177.39 177.39 3cv5 n LYS 695 N 1.76 2.35 -3.50 1.96 2.85 0.91 -2.29 118.16 122.20 3cv5 n LYS 695 Ca 0.13 -0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.25 3cv5 n LYS 695 Cb 0.28 -1.00 -0.04 0.00 -0.65 0.00 0.00 35.03 33.62 3cv5 n LYS 695 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 3cv5 s SER 696 N -2.60 -0.54 -0.08 -5.58 1.04 -1.11 -1.69 113.70 103.13 3cv5 s SER 696 Ca -0.00 0.23 0.01 0.00 0.48 0.00 0.00 55.95 56.67 3cv5 s SER 696 Cb 0.00 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.68 3cv5 s SER 696 CO 0.00 -0.80 -0.10 -0.63 0.98 0.00 0.00 173.24 172.70 3cv5 s ILE 697 N -2.69 1.06 -0.28 -1.02 1.01 -0.51 -1.41 121.20 117.35 3cv5 s ILE 697 Ca -0.04 -0.39 -0.04 0.00 0.00 0.00 0.00 60.65 60.18 3cv5 s ILE 697 Cb -0.01 -1.01 0.03 0.00 0.01 0.00 0.00 42.46 41.49 3cv5 s ILE 697 CO -0.04 0.35 0.01 -1.58 0.00 0.00 0.00 174.94 173.68 3cv5 s GLN 698 N 1.02 2.78 0.11 2.79 0.74 -0.02 -0.71 119.66 126.37 3cv5 s GLN 698 Ca -0.08 -1.04 -0.15 0.00 0.05 0.00 0.00 55.36 54.14 3cv5 s GLN 698 Cb -0.15 -3.19 -0.04 0.00 1.10 0.00 0.00 33.01 30.73 3cv5 s GLN 698 CO -0.00 -0.50 1.52 -0.07 -0.55 0.00 0.00 175.29 175.69 3cv5 h LEU 699 N 8.09 0.69 -8.92 3.68 3.38 -1.86 -0.02 115.31 120.35 3cv5 h LEU 699 Ca -0.28 -0.36 -0.37 0.00 0.09 0.00 0.00 57.88 56.95 3cv5 h LEU 699 Cb 1.10 -0.19 -0.14 0.00 0.09 0.00 0.00 40.66 41.52 3cv5 h LEU 699 CO 0.57 0.89 -0.59 0.42 0.09 0.00 0.00 178.44 179.82 3cv5 s THR 700 N -4.79 0.48 0.23 0.22 -4.23 -1.26 -4.05 115.64 102.23 3cv5 s THR 700 Ca -0.13 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.30 3cv5 s THR 700 Cb 0.09 -2.59 0.22 0.00 1.34 0.00 0.00 72.50 71.56 3cv5 s THR 700 CO 0.80 0.00 1.67 1.56 -0.54 0.00 0.00 174.62 178.11 3cv5 h GLN 701 N 2.32 0.18 0.00 3.99 1.08 -1.93 -2.67 115.11 118.08 3cv5 h GLN 701 Ca -0.37 -0.01 -0.05 0.00 -1.45 0.00 0.00 58.65 56.77 3cv5 h GLN 701 Cb 1.25 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 28.63 3cv5 h GLN 701 CO 0.58 0.12 -0.33 0.38 -0.95 0.00 0.00 178.83 178.63 3cv5 h ASP 702 N 0.19 0.00 -4.36 1.46 2.03 -1.99 -3.49 116.42 110.26 3cv5 h ASP 702 Ca 0.37 0.00 -0.49 0.00 -0.73 0.00 0.00 57.03 56.18 3cv5 h ASP 702 Cb 0.62 0.00 0.09 0.00 -0.83 0.00 0.00 39.33 39.21 3cv5 h ASP 702 CO -0.53 0.25 0.37 -0.94 -1.03 0.00 0.00 179.24 177.37 3cv5 s SER 703 N -6.27 5.08 0.59 4.15 1.04 -1.01 -5.00 113.70 112.29 3cv5 s SER 703 Ca 0.05 1.31 -0.20 0.00 0.48 0.00 0.00 55.95 57.59 3cv5 s SER 703 Cb 0.06 -2.11 -0.03 0.00 0.10 0.00 0.00 66.02 64.04 3cv5 s SER 703 CO 0.72 -1.59 1.29 -2.84 0.98 0.00 0.00 173.24 171.80 3cv5 s PRO 704 N -5.21 2.89 -0.61 4.02 0.02 -1.26 -4.86 135.00 129.99 3cv5 s PRO 704 Ca 0.59 2.07 -0.28 0.00 0.02 0.00 0.00 61.00 63.40 3cv5 s PRO 704 Cb -0.13 -2.03 0.02 0.00 0.02 0.00 0.00 34.50 32.38 3cv5 s PRO 704 CO 0.54 -1.34 1.34 -1.01 -0.33 0.00 0.00 177.00 176.20 3cv5 s HIS 705 N -1.40 2.34 -0.18 6.54 3.76 -1.26 -4.38 115.29 120.71 3cv5 s HIS 705 Ca 0.77 0.34 -0.26 0.00 -0.15 0.00 0.00 55.06 55.76 3cv5 s HIS 705 Cb -0.37 -4.47 -0.01 0.00 1.11 0.00 0.00 32.58 28.84 3cv5 s HIS 705 CO 0.41 -1.91 0.89 0.08 -0.85 0.00 0.00 174.74 173.36 3cv5 s VAL 706 N 5.81 4.83 0.08 -0.90 1.01 0.11 -4.81 120.40 126.53 3cv5 s VAL 706 Ca 0.46 1.75 -0.31 0.00 0.00 0.00 0.00 61.98 63.89 3cv5 s VAL 706 Cb -0.09 -4.19 -0.10 0.00 0.00 0.00 0.00 36.38 32.00 3cv5 s VAL 706 CO 0.22 -0.03 1.92 -2.65 0.00 0.00 0.00 175.10 174.57 3cv5 n PRO 707 N 5.48 2.86 -3.40 2.72 -0.02 -1.26 -1.43 135.00 139.95 3cv5 n PRO 707 Ca 0.07 1.04 -0.14 0.00 -2.02 0.00 0.00 63.50 62.45 3cv5 n PRO 707 Cb 0.48 -2.98 -0.10 0.00 -0.02 0.00 0.00 33.50 30.89 3cv5 n PRO 707 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3cv5 s VAL 708 N 3.72 -0.47 -0.12 -1.45 1.01 -0.68 -4.18 120.40 118.23 3cv5 s VAL 708 Ca 0.86 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.61 3cv5 s VAL 708 Cb -0.45 -0.85 -0.01 0.00 0.00 0.00 0.00 36.38 35.07 3cv5 s VAL 708 CO 0.40 -0.27 -0.17 -2.28 0.00 0.00 0.00 175.10 172.77 3cv5 s HIS 709 N 2.43 2.72 0.15 5.22 5.04 -0.35 -2.98 115.29 127.50 3cv5 s HIS 709 Ca 0.10 -0.86 -0.22 0.00 -1.54 0.00 0.00 55.06 52.53 3cv5 s HIS 709 Cb -0.15 -1.80 -0.08 0.00 0.04 0.00 0.00 32.58 30.59 3cv5 s HIS 709 CO -0.22 -0.33 0.70 -0.06 -2.34 0.00 0.00 174.74 172.49 3cv5 s PHE 710 N 0.43 3.83 -0.05 3.88 0.08 -0.97 -0.76 117.98 124.43 3cv5 s PHE 710 Ca -0.13 1.48 -0.07 0.00 0.12 0.00 0.00 56.93 58.34 3cv5 s PHE 710 Cb -0.17 -2.66 0.01 0.00 -0.57 0.00 0.00 43.02 39.64 3cv5 s PHE 710 CO 0.06 0.51 0.17 0.21 -0.10 0.00 0.00 175.22 176.06 3cv5 s LYS 711 N -1.28 0.30 -0.14 0.44 2.20 -0.06 -4.74 119.74 116.45 3cv5 s LYS 711 Ca 0.35 0.05 -0.04 0.00 -0.36 0.00 0.00 55.97 55.97 3cv5 s LYS 711 Cb -0.21 0.13 -0.03 0.00 -1.51 0.00 0.00 37.83 36.21 3cv5 s LYS 711 CO 0.23 -0.05 -0.01 -0.06 -0.36 0.00 0.00 175.35 175.10 3cv5 s PHE 712 N -0.36 3.11 0.28 4.03 0.40 -1.26 -0.29 117.98 123.89 3cv5 s PHE 712 Ca -0.05 -0.07 0.02 0.00 -0.60 0.00 0.00 56.93 56.24 3cv5 s PHE 712 Cb -0.03 -1.92 -0.05 0.00 0.51 0.00 0.00 43.02 41.53 3cv5 s PHE 712 CO 0.01 0.17 0.12 -0.51 0.70 0.00 0.00 175.22 175.70 3cv5 s LEU 713 N -0.05 1.69 -0.01 -0.37 1.02 -0.47 -1.69 118.68 118.79 3cv5 s LEU 713 Ca 0.03 -1.45 0.03 0.00 0.02 0.00 0.00 54.13 52.76 3cv5 s LEU 713 Cb -0.13 0.05 -0.01 0.00 0.02 0.00 0.00 46.19 46.13 3cv5 s LEU 713 CO 0.02 -0.79 -0.12 -1.59 0.02 0.00 0.00 176.35 173.90 3cv5 s LYS 714 N -3.94 1.00 0.10 1.70 -2.85 0.10 -0.89 119.74 114.96 3cv5 s LYS 714 Ca 0.36 -0.41 0.01 0.00 -1.00 0.00 0.00 55.97 54.94 3cv5 s LYS 714 Cb 0.07 -0.95 -0.04 0.00 -2.06 0.00 0.00 37.83 34.85 3cv5 s LYS 714 CO 0.15 0.23 0.22 0.71 0.10 0.00 0.00 175.35 176.76 3cv5 s TYR 715 N -0.18 3.46 0.00 1.78 2.02 0.26 -1.02 117.35 123.67 3cv5 s TYR 715 Ca 0.03 0.17 0.00 0.00 -0.37 0.00 0.00 57.07 56.90 3cv5 s TYR 715 Cb -0.06 -1.70 0.00 0.00 -0.40 0.00 0.00 41.96 39.81 3cv5 s TYR 715 CO -0.00 0.55 0.00 0.41 -1.57 0.00 0.00 175.55 174.94 3cv5 n GLY 716 N -0.05 4.30 3.43 0.71 0.00 -1.26 -1.37 105.19 110.93 3cv5 n GLY 716 Ca -0.06 -2.14 -0.27 0.00 0.00 0.00 0.00 46.02 43.54 3cv5 n GLY 716 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cv5 s VAL 717 N 0.10 2.38 0.31 1.61 1.01 -1.25 -3.17 120.40 121.39 3cv5 s VAL 717 Ca 0.00 -1.97 -0.29 0.00 0.00 0.00 0.00 61.98 59.73 3cv5 s VAL 717 Cb 0.00 -2.13 -0.10 0.00 0.00 0.00 0.00 36.38 34.15 3cv5 s VAL 717 CO 0.00 -0.08 1.14 -0.13 0.00 0.00 0.00 175.10 176.03 3cv5 s ARG 718 N -2.57 4.51 0.00 2.72 0.52 -1.26 -4.61 118.95 118.26 3cv5 s ARG 718 Ca 0.20 1.88 0.25 0.00 -0.52 0.00 0.00 55.73 57.54 3cv5 s ARG 718 Cb -0.08 -3.09 0.55 0.00 0.52 0.00 0.00 34.95 32.84 3cv5 s ARG 718 CO 0.09 0.07 1.44 -1.13 0.02 0.00 0.00 175.30 175.79 3cv5 n SER 719 N 0.96 0.73 -4.04 0.23 3.41 -1.26 -4.84 113.62 108.80 3cv5 n SER 719 Ca -0.00 -0.52 -0.08 0.00 -0.26 0.00 0.00 58.87 58.00 3cv5 n SER 719 Cb 0.45 0.25 -0.09 0.00 -0.26 0.00 0.00 64.21 64.55 3cv5 n SER 719 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 3cv5 s HIS 720 N -2.82 0.49 0.00 7.33 0.00 -1.26 -5.10 115.29 113.92 3cv5 s HIS 720 Ca 0.16 -0.96 0.00 0.00 -3.00 0.00 0.00 55.06 51.25 3cv5 s HIS 720 Cb 0.18 -0.30 0.00 0.00 -4.00 0.00 0.00 32.58 28.46 3cv5 s HIS 720 CO 0.64 -0.47 0.00 0.41 -1.00 0.00 0.00 174.74 174.32 3cv5 n GLY 721 N 0.01 -0.75 3.75 -1.38 0.00 -1.26 -4.90 105.19 100.65 3cv5 n GLY 721 Ca -0.12 -1.16 -0.40 0.00 0.00 0.00 0.00 46.02 44.34 3cv5 n GLY 721 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3cv5 s ASP 722 N -4.00 7.41 -0.09 1.61 1.01 -1.26 -5.00 116.67 116.35 3cv5 s ASP 722 Ca 0.00 2.12 -0.08 0.00 0.71 0.00 0.00 52.55 55.30 3cv5 s ASP 722 Cb 0.00 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.27 3cv5 s ASP 722 CO 0.00 -0.05 0.20 -0.13 0.21 0.00 0.00 175.17 175.40 3cv5 s ARG 723 N -1.16 3.53 0.58 8.23 3.00 -1.26 -4.63 118.95 127.24 3cv5 s ARG 723 Ca 0.44 -0.04 -0.20 0.00 0.00 0.00 0.00 55.73 55.93 3cv5 s ARG 723 Cb -0.29 -3.18 -0.04 0.00 0.00 0.00 0.00 34.95 31.43 3cv5 s ARG 723 CO 0.37 0.75 1.20 0.43 0.00 0.00 0.00 175.30 178.04 3cv5 n SER 724 N 1.85 1.84 -0.06 0.23 7.64 -1.26 -4.58 113.62 119.28 3cv5 n SER 724 Ca -0.18 0.89 0.00 0.00 1.01 0.00 0.00 58.87 60.59 3cv5 n SER 724 Cb 0.54 -1.50 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 3cv5 n SER 724 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3cv5 n GLY 725 N 0.99 3.76 0.34 0.23 0.00 -0.90 -4.52 105.19 105.10 3cv5 n GLY 725 Ca 0.13 -1.02 0.10 0.00 0.00 0.00 0.00 46.02 45.22 3cv5 n GLY 725 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cv5 h ALA 726 N 1.63 1.93 0.00 4.61 0.00 -1.85 -3.22 119.26 122.35 3cv5 h ALA 726 Ca 0.00 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.65 3cv5 h ALA 726 Cb 0.00 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 3cv5 h ALA 726 CO 0.00 -0.03 -1.37 0.66 0.00 0.00 0.00 179.25 178.51 3cv5 n TYR 727 N -4.47 0.87 -3.63 0.00 4.02 -1.26 -2.71 117.16 109.97 3cv5 n TYR 727 Ca 0.07 0.38 -0.36 0.00 -0.01 0.00 0.00 57.90 57.98 3cv5 n TYR 727 Cb 0.27 -1.06 -0.06 0.00 -0.02 0.00 0.00 39.34 38.47 3cv5 n TYR 727 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 3cv5 s LEU 728 N -7.85 4.39 -0.31 7.72 1.43 -1.22 -0.97 118.68 121.87 3cv5 s LEU 728 Ca -0.29 0.75 -0.04 0.00 -1.03 0.00 0.00 54.13 53.52 3cv5 s LEU 728 Cb 0.07 -2.70 0.04 0.00 0.03 0.00 0.00 46.19 43.63 3cv5 s LEU 728 CO 0.55 0.26 0.05 0.12 0.23 0.00 0.00 176.35 177.56 3cv5 s PHE 729 N -1.24 3.23 -0.52 0.29 5.36 -1.12 -2.11 117.98 121.87 3cv5 s PHE 729 Ca 0.27 -1.58 0.06 0.00 -0.96 0.00 0.00 56.93 54.73 3cv5 s PHE 729 Cb -0.14 -2.19 0.23 0.00 -0.34 0.00 0.00 43.02 40.58 3cv5 s PHE 729 CO 0.15 -0.75 0.58 1.28 -1.46 0.00 0.00 175.22 175.02 3cv5 n LEU 730 N 4.73 1.72 -4.76 6.12 4.77 -1.26 -4.68 117.00 123.64 3cv5 n LEU 730 Ca -0.13 -4.99 -0.33 0.00 -0.03 0.00 0.00 56.01 50.53 3cv5 n LEU 730 Cb 0.45 -0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.60 3cv5 n LEU 730 CO 0.29 2.01 0.75 -2.16 -1.33 0.00 0.00 177.39 176.95 3cv5 s PRO 731 N -1.55 2.57 -1.16 3.23 0.04 -1.26 -4.01 135.00 132.87 3cv5 s PRO 731 Ca 0.36 1.49 -0.05 0.00 0.04 0.00 0.00 61.00 62.83 3cv5 s PRO 731 Cb 0.12 -1.91 0.14 0.00 0.04 0.00 0.00 34.50 32.89 3cv5 s PRO 731 CO -0.09 -1.44 2.37 0.27 0.04 0.00 0.00 177.00 178.15 3cv5 n ASN 732 N -2.56 7.74 0.00 6.66 6.94 -1.19 -4.77 115.26 128.08 3cv5 n ASN 732 Ca 0.11 -3.23 0.00 0.00 -0.02 0.00 0.00 54.58 51.45 3cv5 n ASN 732 Cb 0.52 -1.32 0.00 0.00 -2.36 0.00 0.00 39.78 36.62 3cv5 n ASN 732 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3cv5 n GLY 733 N 1.36 0.07 3.60 4.83 0.00 -1.26 -4.83 105.19 108.96 3cv5 n GLY 733 Ca 0.59 -1.98 -0.34 0.00 0.00 0.00 0.00 46.02 44.29 3cv5 n GLY 733 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3cv5 n PRO 734 N -0.14 0.23 -2.00 1.61 -0.02 -1.26 -4.79 135.00 128.63 3cv5 n PRO 734 Ca 0.00 0.14 -0.34 0.00 -2.02 0.00 0.00 63.50 61.28 3cv5 n PRO 734 Cb 0.00 -2.22 0.02 0.00 -0.02 0.00 0.00 33.50 31.29 3cv5 n PRO 734 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3cv5 s ALA 735 N -2.04 2.60 0.00 3.55 0.00 -1.26 -4.94 121.76 119.66 3cv5 s ALA 735 Ca 0.70 0.63 0.03 0.00 0.00 0.00 0.00 51.96 53.32 3cv5 s ALA 735 Cb -0.30 -3.32 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 3cv5 s ALA 735 CO 0.54 -1.00 -0.08 -1.12 0.00 0.00 0.00 175.76 174.09 3cv5 s SER 736 N -2.30 4.55 0.44 0.00 0.01 -0.19 -4.85 113.70 111.36 3cv5 s SER 736 Ca 0.69 -0.16 -0.25 0.00 1.31 0.00 0.00 55.95 57.54 3cv5 s SER 736 Cb -0.21 -1.04 -0.08 0.00 0.21 0.00 0.00 66.02 64.90 3cv5 s SER 736 CO 0.35 0.29 1.35 -2.84 0.41 0.00 0.00 173.24 172.80 3cv5 s PRO 737 N -1.36 3.73 0.14 12.44 0.02 -1.26 -0.72 135.00 147.99 3cv5 s PRO 737 Ca 0.16 2.25 -0.31 0.00 0.02 0.00 0.00 61.00 63.13 3cv5 s PRO 737 Cb -0.11 -2.63 -0.08 0.00 0.02 0.00 0.00 34.50 31.70 3cv5 s PRO 737 CO 0.07 -0.72 1.32 0.08 -0.33 0.00 0.00 177.00 177.42 3cv5 s VAL 738 N -1.26 3.42 -0.20 3.83 1.01 -0.68 -4.76 120.40 121.76 3cv5 s VAL 738 Ca 0.61 1.07 -0.29 0.00 0.00 0.00 0.00 61.98 63.37 3cv5 s VAL 738 Cb -0.40 -3.69 -0.00 0.00 0.00 0.00 0.00 36.38 32.29 3cv5 s VAL 738 CO 0.51 0.11 1.19 -1.61 0.00 0.00 0.00 175.10 175.31 3cv5 s GLU 739 N 0.64 4.21 0.14 2.72 2.02 -1.26 -4.92 118.70 122.25 3cv5 s GLU 739 Ca 0.60 1.52 0.21 0.00 0.02 0.00 0.00 54.97 57.33 3cv5 s GLU 739 Cb -0.35 -3.74 -0.07 0.00 0.10 0.00 0.00 34.13 30.07 3cv5 s GLU 739 CO 0.33 -0.73 0.92 1.28 0.02 0.00 0.00 175.26 177.08 3cv5 n LEU 740 N 6.62 0.73 0.00 1.80 4.77 -1.26 -4.79 117.00 124.88 3cv5 n LEU 740 Ca 0.13 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 3cv5 n LEU 740 Cb 0.45 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 3cv5 n LEU 740 CO 0.55 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 3cv5 n GLY 741 N 1.23 2.21 2.93 -0.72 0.00 -1.26 -3.85 105.19 105.72 3cv5 n GLY 741 Ca -0.03 -0.53 -0.29 0.00 0.00 0.00 0.00 46.02 45.17 3cv5 n GLY 741 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3cv5 s GLN 742 N 0.00 2.56 0.67 1.61 0.74 -1.26 -5.09 119.66 118.89 3cv5 s GLN 742 Ca 0.00 -3.33 -0.14 0.00 0.05 0.00 0.00 55.36 51.94 3cv5 s GLN 742 Cb 0.00 -3.49 0.01 0.00 1.10 0.00 0.00 33.01 30.63 3cv5 s GLN 742 CO 0.00 -1.28 1.10 -1.25 -0.55 0.00 0.00 175.29 173.32 3cv5 s PRO 743 N -1.42 2.74 -0.01 1.67 0.04 -1.25 -4.93 135.00 131.84 3cv5 s PRO 743 Ca 0.25 1.34 -0.30 0.00 0.04 0.00 0.00 61.00 62.33 3cv5 s PRO 743 Cb -0.05 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.51 3cv5 s PRO 743 CO -0.16 -1.29 0.99 0.08 0.04 0.00 0.00 177.00 176.66 3cv5 s VAL 744 N -2.44 4.85 -0.12 -0.36 1.01 -1.26 -4.85 120.40 117.23 3cv5 s VAL 744 Ca 0.66 2.05 0.02 0.00 0.00 0.00 0.00 61.98 64.71 3cv5 s VAL 744 Cb -0.20 -4.32 -0.00 0.00 0.00 0.00 0.00 36.38 31.86 3cv5 s VAL 744 CO 0.44 0.14 -0.19 -0.69 0.00 0.00 0.00 175.10 174.79 3cv5 s VAL 745 N 1.16 2.44 -0.20 2.92 1.01 -0.74 -2.33 120.40 124.66 3cv5 s VAL 745 Ca 0.52 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 61.59 3cv5 s VAL 745 Cb -0.21 -1.98 -0.01 0.00 0.00 0.00 0.00 36.38 34.19 3cv5 s VAL 745 CO 0.27 0.54 -0.07 -0.22 0.00 0.00 0.00 175.10 175.62 3cv5 s LEU 746 N 0.48 2.81 -0.20 3.92 2.96 0.48 -0.30 118.68 128.83 3cv5 s LEU 746 Ca -0.13 -0.40 -0.04 0.00 -0.22 0.00 0.00 54.13 53.34 3cv5 s LEU 746 Cb -0.17 -1.70 -0.01 0.00 0.50 0.00 0.00 46.19 44.81 3cv5 s LEU 746 CO 0.05 0.01 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.36 3cv5 s VAL 747 N 1.27 3.50 -0.14 1.68 1.01 0.45 -0.82 120.40 127.34 3cv5 s VAL 747 Ca 0.03 -0.46 -0.00 0.00 0.00 0.00 0.00 61.98 61.55 3cv5 s VAL 747 Cb -0.14 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.65 3cv5 s VAL 747 CO -0.03 0.44 -0.13 -0.89 0.00 0.00 0.00 175.10 174.49 3cv5 s THR 748 N 1.20 2.97 -0.19 3.92 2.01 -0.00 -0.35 115.64 125.20 3cv5 s THR 748 Ca 0.03 -0.68 0.01 0.00 0.31 0.00 0.00 61.69 61.36 3cv5 s THR 748 Cb -0.14 -2.26 0.03 0.00 0.01 0.00 0.00 72.50 70.13 3cv5 s THR 748 CO -0.01 0.51 -0.17 -0.75 -0.69 0.00 0.00 174.62 173.52 3cv5 s LYS 749 N 0.58 2.65 0.25 4.92 2.20 -0.15 -0.57 119.74 129.63 3cv5 s LYS 749 Ca -0.08 -0.86 0.01 0.00 -0.36 0.00 0.00 55.97 54.68 3cv5 s LYS 749 Cb -0.16 -2.52 -0.05 0.00 -1.51 0.00 0.00 37.83 33.60 3cv5 s LYS 749 CO 0.03 -0.29 0.11 0.20 -0.36 0.00 0.00 175.35 175.04 3cv5 s GLY 750 N 1.31 1.70 0.18 5.54 0.00 -0.98 -0.60 107.32 114.46 3cv5 s GLY 750 Ca 0.02 -1.83 -0.05 0.00 0.00 0.00 0.00 44.72 42.87 3cv5 s GLY 750 CO -0.11 -1.56 1.48 1.70 0.00 0.00 0.00 173.10 174.62 3cv5 h LYS 751 N 2.42 0.62 0.01 2.90 3.64 -1.96 -3.32 116.57 120.87 3cv5 h LYS 751 Ca -0.38 -0.39 -0.35 0.00 -1.27 0.00 0.00 60.65 58.26 3cv5 h LYS 751 Cb 1.25 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 33.05 3cv5 h LYS 751 CO 0.59 1.01 -2.22 1.28 -2.27 0.00 0.00 179.45 177.84 3cv5 n LEU 752 N -3.97 0.63 -3.70 5.20 4.77 -1.26 -4.52 117.00 114.16 3cv5 n LEU 752 Ca -0.03 0.09 -0.11 0.00 -0.03 0.00 0.00 56.01 55.93 3cv5 n LEU 752 Cb 0.61 0.21 -0.11 0.00 -2.33 0.00 0.00 43.42 41.80 3cv5 n LEU 752 CO 0.48 0.53 0.03 -0.70 -1.33 0.00 0.00 177.39 176.40 3cv5 s GLU 753 N -2.52 0.37 0.24 3.23 2.12 -1.25 -4.49 118.70 116.40 3cv5 s GLU 753 Ca -0.12 0.76 0.07 0.00 0.36 0.00 0.00 54.97 56.04 3cv5 s GLU 753 Cb 0.07 -0.04 -0.05 0.00 0.26 0.00 0.00 34.13 34.37 3cv5 s GLU 753 CO 0.80 -0.16 -0.10 -1.12 -0.54 0.00 0.00 175.26 174.15 3cv5 s SER 754 N 1.39 2.64 0.14 -1.70 0.01 -0.59 -2.33 113.70 113.26 3cv5 s SER 754 Ca -0.10 -1.12 -0.24 0.00 1.31 0.00 0.00 55.95 55.81 3cv5 s SER 754 Cb -0.09 -0.15 0.07 0.00 0.21 0.00 0.00 66.02 66.07 3cv5 s SER 754 CO -0.12 -0.27 0.62 -0.94 0.41 0.00 0.00 173.24 172.94 3cv5 s SER 755 N -3.38 -0.57 -0.12 2.44 1.04 0.27 -0.39 113.70 112.99 3cv5 s SER 755 Ca 0.26 0.05 0.01 0.00 0.48 0.00 0.00 55.95 56.76 3cv5 s SER 755 Cb 0.02 0.58 0.02 0.00 0.10 0.00 0.00 66.02 66.74 3cv5 s SER 755 CO 0.10 -0.93 -0.14 -0.69 0.98 0.00 0.00 173.24 172.56 3cv5 s VAL 756 N -3.53 1.48 -0.03 5.02 1.01 -0.39 -0.82 120.40 123.14 3cv5 s VAL 756 Ca 0.00 -0.61 0.06 0.00 0.00 0.00 0.00 61.98 61.43 3cv5 s VAL 756 Cb -0.01 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.99 3cv5 s VAL 756 CO -0.11 0.44 -0.22 -0.44 0.00 0.00 0.00 175.10 174.77 3cv5 s SER 757 N 1.16 2.64 -0.02 3.32 0.01 -0.00 -0.58 113.70 120.23 3cv5 s SER 757 Ca -0.03 -0.42 0.02 0.00 1.31 0.00 0.00 55.95 56.83 3cv5 s SER 757 Cb -0.14 -0.42 0.00 0.00 0.21 0.00 0.00 66.02 65.67 3cv5 s SER 757 CO -0.04 0.25 -0.05 0.54 0.41 0.00 0.00 173.24 174.35 3cv5 s VAL 758 N -0.39 0.48 -0.75 3.43 0.11 -0.11 -0.39 120.40 122.77 3cv5 s VAL 758 Ca 0.05 -0.20 -0.20 0.00 -2.93 0.00 0.00 61.98 58.70 3cv5 s VAL 758 Cb -0.10 -0.44 0.11 0.00 -1.53 0.00 0.00 36.38 34.42 3cv5 s VAL 758 CO 0.00 0.16 0.96 -0.83 -3.33 0.00 0.00 175.10 172.06 3cv5 s GLY 759 N 0.19 1.73 0.35 6.54 0.00 -0.98 -1.30 107.32 113.86 3cv5 s GLY 759 Ca -0.02 -2.35 0.03 0.00 0.00 0.00 0.00 44.72 42.38 3cv5 s GLY 759 CO -0.00 1.89 0.52 1.08 0.00 0.00 0.00 173.10 176.59 3cv5 s LEU 760 N 3.04 3.96 0.08 0.66 1.43 0.06 -4.35 118.68 123.57 3cv5 s LEU 760 Ca 0.23 0.14 -0.31 0.00 -1.03 0.00 0.00 54.13 53.16 3cv5 s LEU 760 Cb -0.14 -3.01 -0.10 0.00 0.03 0.00 0.00 46.19 42.98 3cv5 s LEU 760 CO 0.01 -0.40 1.89 -2.84 0.23 0.00 0.00 176.35 175.23 3cv5 s PRO 761 N -4.27 4.14 0.00 1.29 0.02 -1.26 -2.14 135.00 132.78 3cv5 s PRO 761 Ca 0.42 2.59 0.00 0.00 0.02 0.00 0.00 61.00 64.04 3cv5 s PRO 761 Cb -0.10 -3.85 0.00 0.00 0.02 0.00 0.00 34.50 30.57 3cv5 s PRO 761 CO 0.34 -0.89 0.00 0.43 -0.33 0.00 0.00 177.00 176.54 3cv5 n SER 762 N 6.53 0.00 -3.68 2.53 7.64 -1.26 -4.96 113.62 120.42 3cv5 n SER 762 Ca 0.19 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.93 3cv5 n SER 762 Cb 0.40 -0.33 -0.13 0.00 -1.01 0.00 0.00 64.21 63.13 3cv5 n SER 762 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3cv5 s VAL 763 N -2.83 -0.33 -0.37 0.44 1.01 -0.91 -0.53 120.40 116.87 3cv5 s VAL 763 Ca 0.00 0.25 -0.21 0.00 0.00 0.00 0.00 61.98 62.03 3cv5 s VAL 763 Cb 0.00 -0.43 0.01 0.00 0.00 0.00 0.00 36.38 35.96 3cv5 s VAL 763 CO 0.00 0.11 0.65 -0.69 0.00 0.00 0.00 175.10 175.17 3cv5 s VAL 764 N 2.17 4.86 -0.18 2.92 1.01 -0.52 -0.76 120.40 129.90 3cv5 s VAL 764 Ca -0.01 0.54 -0.06 0.00 0.00 0.00 0.00 61.98 62.45 3cv5 s VAL 764 Cb -0.12 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.12 3cv5 s VAL 764 CO -0.08 -0.38 0.02 -2.28 0.00 0.00 0.00 175.10 172.38 3cv5 s HIS 765 N 2.77 3.11 -0.04 5.22 5.04 -0.42 -0.58 115.29 130.39 3cv5 s HIS 765 Ca 0.25 -0.20 0.02 0.00 -1.54 0.00 0.00 55.06 53.59 3cv5 s HIS 765 Cb -0.14 -2.05 0.01 0.00 0.04 0.00 0.00 32.58 30.44 3cv5 s HIS 765 CO 0.16 -0.03 -0.08 -1.14 -2.34 0.00 0.00 174.74 171.30 3cv5 s GLN 766 N 0.59 1.15 -0.22 2.88 0.74 0.59 -0.94 119.66 124.45 3cv5 s GLN 766 Ca 0.00 -0.27 -0.04 0.00 0.05 0.00 0.00 55.36 55.11 3cv5 s GLN 766 Cb -0.14 -1.04 -0.01 0.00 1.10 0.00 0.00 33.01 32.93 3cv5 s GLN 766 CO 0.02 0.02 -0.05 0.99 -0.55 0.00 0.00 175.29 175.72 3cv5 s THR 767 N 0.60 3.32 -0.11 -0.34 2.01 0.25 -1.08 115.64 120.29 3cv5 s THR 767 Ca -0.10 -0.53 0.01 0.00 0.31 0.00 0.00 61.69 61.38 3cv5 s THR 767 Cb -0.13 -2.52 -0.02 0.00 0.01 0.00 0.00 72.50 69.85 3cv5 s THR 767 CO 0.01 0.42 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.59 3cv5 s ILE 768 N 1.47 3.02 -0.13 1.82 1.01 0.12 -1.26 121.20 127.24 3cv5 s ILE 768 Ca 0.06 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 60.04 3cv5 s ILE 768 Cb -0.14 -2.24 0.00 0.00 0.01 0.00 0.00 42.46 40.09 3cv5 s ILE 768 CO -0.04 0.54 -0.20 -0.04 0.00 0.00 0.00 174.94 175.20 3cv5 s MET 769 N 0.11 3.11 -0.02 2.79 -1.94 0.47 -0.74 119.30 123.07 3cv5 s MET 769 Ca -0.06 -0.82 0.04 0.00 -1.71 0.00 0.00 55.69 53.13 3cv5 s MET 769 Cb -0.15 -2.46 0.05 0.00 2.01 0.00 0.00 34.83 34.29 3cv5 s MET 769 CO 0.05 0.07 0.91 0.54 -0.01 0.00 0.00 175.02 176.57 3cv5 n ARG 770 N 3.87 1.71 0.00 2.03 1.74 -1.26 -1.55 116.66 123.20 3cv5 n ARG 770 Ca -0.19 -1.42 0.00 0.00 -0.77 0.00 0.00 57.85 55.46 3cv5 n ARG 770 Cb 0.52 -0.93 0.00 0.00 -1.02 0.00 0.00 32.46 31.03 3cv5 n ARG 770 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3cv5 n GLY 771 N -0.51 1.01 0.00 -0.13 0.00 -1.26 -4.91 105.19 99.39 3cv5 n GLY 771 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3cv5 n GLY 771 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3cv5 n GLY 772 N -0.59 5.21 3.69 -0.02 0.00 -1.26 -3.66 105.19 108.56 3cv5 n GLY 772 Ca 0.00 -1.53 -0.44 0.00 0.00 0.00 0.00 46.02 44.05 3cv5 n GLY 772 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cv5 n ALA 773 N -3.00 1.40 -1.15 4.61 0.00 -1.26 -4.59 120.51 116.52 3cv5 n ALA 773 Ca 0.00 0.40 -0.32 0.00 0.00 0.00 0.00 53.44 53.52 3cv5 n ALA 773 Cb 0.00 -2.31 0.11 0.00 0.00 0.00 0.00 19.45 17.24 3cv5 n ALA 773 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3cv5 s PRO 774 N -0.39 1.93 -0.12 0.00 0.04 -1.24 -4.78 135.00 130.43 3cv5 s PRO 774 Ca 0.68 1.46 -0.07 0.00 0.04 0.00 0.00 61.00 63.11 3cv5 s PRO 774 Cb -0.62 -1.84 -0.04 0.00 0.04 0.00 0.00 34.50 32.04 3cv5 s PRO 774 CO 0.49 -1.93 0.12 -2.00 0.04 0.00 0.00 177.00 173.71 3cv5 s GLU 775 N -4.47 3.46 -0.11 4.56 2.12 0.08 -1.90 118.70 122.46 3cv5 s GLU 775 Ca 0.67 -0.19 0.01 0.00 0.36 0.00 0.00 54.97 55.82 3cv5 s GLU 775 Cb -0.22 -3.15 -0.02 0.00 0.26 0.00 0.00 34.13 30.99 3cv5 s GLU 775 CO 0.52 0.71 -0.12 0.42 -0.54 0.00 0.00 175.26 176.24 3cv5 s ILE 776 N -0.83 3.16 -0.06 -3.70 -1.09 -0.27 0.11 121.20 118.52 3cv5 s ILE 776 Ca 0.14 -0.64 0.03 0.00 -2.23 0.00 0.00 60.65 57.95 3cv5 s ILE 776 Cb -0.12 -2.31 0.00 0.00 -1.58 0.00 0.00 42.46 38.46 3cv5 s ILE 776 CO 0.03 0.54 -0.15 -0.13 -1.23 0.00 0.00 174.94 174.00 3cv5 s ARG 777 N -0.00 1.88 -0.19 2.79 0.52 -0.25 -0.78 118.95 122.93 3cv5 s ARG 777 Ca -0.03 -0.54 -0.00 0.00 -0.52 0.00 0.00 55.73 54.63 3cv5 s ARG 777 Cb -0.14 -1.56 0.01 0.00 0.52 0.00 0.00 34.95 33.78 3cv5 s ARG 777 CO 0.04 0.13 -0.17 -0.80 0.02 0.00 0.00 175.30 174.52 3cv5 s ASN 778 N 0.37 3.39 -0.55 0.23 0.01 -0.17 -0.30 114.94 117.93 3cv5 s ASN 778 Ca -0.11 -0.59 -0.20 0.00 -0.71 0.00 0.00 52.86 51.25 3cv5 s ASN 778 Cb -0.14 -1.54 0.07 0.00 0.41 0.00 0.00 41.25 40.05 3cv5 s ASN 778 CO 0.04 -0.00 0.73 -0.22 -1.51 0.00 0.00 177.10 176.14 3cv5 s LEU 779 N 1.31 4.90 -0.26 0.60 2.96 0.25 -0.88 118.68 127.55 3cv5 s LEU 779 Ca 0.05 -0.99 -0.09 0.00 -0.22 0.00 0.00 54.13 52.87 3cv5 s LEU 779 Cb -0.13 -2.45 -0.04 0.00 0.50 0.00 0.00 46.19 44.06 3cv5 s LEU 779 CO -0.10 -1.06 0.14 -0.69 -1.32 0.00 0.00 176.35 173.31 3cv5 s VAL 780 N 2.99 4.89 -0.37 1.68 1.01 0.69 -1.44 120.40 129.85 3cv5 s VAL 780 Ca 0.17 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.18 3cv5 s VAL 780 Cb -0.19 -3.31 0.13 0.00 0.00 0.00 0.00 36.38 33.01 3cv5 s VAL 780 CO 0.11 0.29 0.20 -0.62 0.00 0.00 0.00 175.10 175.09 3cv5 s ASP 781 N 1.65 3.31 0.00 3.32 2.15 0.31 -1.81 116.67 125.60 3cv5 s ASP 781 Ca 0.07 -2.22 0.13 0.00 0.43 0.00 0.00 52.55 50.96 3cv5 s ASP 781 Cb -0.15 -0.63 0.57 0.00 -0.30 0.00 0.00 42.92 42.41 3cv5 s ASP 781 CO 0.08 -0.31 1.42 0.00 -0.17 0.00 0.00 175.17 176.18 3cv5 n ILE 782 N 4.03 1.06 -0.51 4.11 3.06 -1.26 -4.37 119.36 125.48 3cv5 n ILE 782 Ca 0.09 0.26 0.00 0.00 -2.50 0.00 0.00 62.75 60.60 3cv5 n ILE 782 Cb 0.37 -1.04 0.00 0.00 0.54 0.00 0.00 39.64 39.51 3cv5 n ILE 782 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3cv5 n GLY 783 N -0.13 3.54 1.49 4.50 0.00 -1.26 -1.85 105.19 111.49 3cv5 n GLY 783 Ca 0.03 -0.13 0.01 0.00 0.00 0.00 0.00 46.02 45.94 3cv5 n GLY 783 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3cv5 n SER 784 N 4.52 4.30 -4.56 1.61 3.41 -1.26 -4.91 113.62 116.73 3cv5 n SER 784 Ca 0.00 -3.20 -0.34 0.00 -0.26 0.00 0.00 58.87 55.07 3cv5 n SER 784 Cb 0.00 -0.66 -0.04 0.00 -0.26 0.00 0.00 64.21 63.25 3cv5 n SER 784 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3cv5 s LEU 785 N -2.95 3.34 0.60 1.04 1.43 -0.77 -4.96 118.68 116.40 3cv5 s LEU 785 Ca 0.49 -1.20 -0.18 0.00 -1.03 0.00 0.00 54.13 52.22 3cv5 s LEU 785 Cb 0.40 -2.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.02 3cv5 s LEU 785 CO 0.10 -2.15 1.16 -1.81 0.23 0.00 0.00 176.35 173.88 3cv5 s ASP 786 N 6.39 5.29 -1.39 2.29 1.11 -1.26 -3.58 116.67 125.51 3cv5 s ASP 786 Ca 0.59 2.24 -0.04 0.00 0.18 0.00 0.00 52.55 55.52 3cv5 s ASP 786 Cb -0.03 -2.58 0.03 0.00 1.07 0.00 0.00 42.92 41.41 3cv5 s ASP 786 CO -0.03 -1.52 0.72 0.59 1.18 0.00 0.00 175.17 176.12 3cv5 n ASN 787 N -1.71 -1.98 -3.98 0.27 3.02 0.77 -4.98 115.26 106.66 3cv5 n ASN 787 Ca 0.12 -0.85 -0.17 0.00 -0.03 0.00 0.00 54.58 53.65 3cv5 n ASN 787 Cb 0.51 -3.80 -0.15 0.00 -0.61 0.00 0.00 39.78 35.73 3cv5 n ASN 787 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3cv5 s THR 788 N -3.62 0.53 -0.13 3.41 2.01 -0.63 -3.92 115.64 113.30 3cv5 s THR 788 Ca 0.19 -0.28 0.03 0.00 0.31 0.00 0.00 61.69 61.94 3cv5 s THR 788 Cb -0.10 -0.46 0.01 0.00 0.01 0.00 0.00 72.50 71.97 3cv5 s THR 788 CO 0.83 0.16 -0.22 -1.61 -0.69 0.00 0.00 174.62 173.09 3cv5 s GLU 789 N -0.10 2.93 -0.23 4.92 2.02 -0.47 -1.13 118.70 126.63 3cv5 s GLU 789 Ca 0.02 -0.83 -0.14 0.00 0.02 0.00 0.00 54.97 54.04 3cv5 s GLU 789 Cb -0.03 -2.33 -0.04 0.00 0.10 0.00 0.00 34.13 31.82 3cv5 s GLU 789 CO -0.00 0.03 0.33 0.42 0.02 0.00 0.00 175.26 176.05 3cv5 s ILE 790 N 0.71 5.23 -0.03 -1.63 -1.09 -0.50 -0.57 121.20 123.33 3cv5 s ILE 790 Ca -0.10 0.52 0.04 0.00 -2.23 0.00 0.00 60.65 58.88 3cv5 s ILE 790 Cb -0.16 -3.66 -0.03 0.00 -1.58 0.00 0.00 42.46 37.03 3cv5 s ILE 790 CO 0.01 0.25 -0.13 0.54 -1.23 0.00 0.00 174.94 174.38 3cv5 s VAL 791 N 1.48 3.19 -0.27 2.92 0.11 -0.07 0.25 120.40 128.01 3cv5 s VAL 791 Ca 0.15 -0.77 -0.09 0.00 -2.93 0.00 0.00 61.98 58.34 3cv5 s VAL 791 Cb -0.15 -2.29 -0.03 0.00 -1.53 0.00 0.00 36.38 32.38 3cv5 s VAL 791 CO 0.08 0.52 0.12 -0.32 -3.33 0.00 0.00 175.10 172.17 3cv5 s MET 792 N -0.96 3.71 -0.00 1.54 1.75 -0.49 -1.37 119.30 123.47 3cv5 s MET 792 Ca 0.13 -0.46 0.04 0.00 -1.25 0.00 0.00 55.69 54.15 3cv5 s MET 792 Cb -0.11 -3.46 -0.03 0.00 2.84 0.00 0.00 34.83 34.07 3cv5 s MET 792 CO 0.02 -0.21 -0.10 0.50 -0.65 0.00 0.00 175.02 174.58 3cv5 s ARG 793 N 1.66 2.47 -0.19 4.11 3.52 0.60 -0.92 118.95 130.21 3cv5 s ARG 793 Ca 0.06 -0.75 -0.05 0.00 -0.13 0.00 0.00 55.73 54.86 3cv5 s ARG 793 Cb -0.16 -2.43 -0.03 0.00 -1.56 0.00 0.00 34.95 30.78 3cv5 s ARG 793 CO 0.06 0.60 0.00 -0.51 -0.81 0.00 0.00 175.30 174.65 3cv5 s LEU 794 N -1.26 3.35 -0.20 -0.88 1.43 0.10 -0.88 118.68 120.34 3cv5 s LEU 794 Ca 0.15 -0.14 -0.05 0.00 -1.03 0.00 0.00 54.13 53.06 3cv5 s LEU 794 Cb -0.11 -1.84 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 3cv5 s LEU 794 CO 0.05 0.10 0.00 -1.61 0.23 0.00 0.00 176.35 175.13 3cv5 s GLU 795 N 0.77 3.62 0.36 1.70 2.02 0.06 -1.94 118.70 125.29 3cv5 s GLU 795 Ca 0.01 -0.52 0.04 0.00 0.02 0.00 0.00 54.97 54.52 3cv5 s GLU 795 Cb -0.14 -3.08 -0.03 0.00 0.10 0.00 0.00 34.13 30.98 3cv5 s GLU 795 CO 0.02 0.01 0.18 0.95 0.02 0.00 0.00 175.26 176.44 3cv5 s THR 796 N 1.01 0.36 -0.89 3.63 -4.23 -0.27 -1.22 115.64 114.03 3cv5 s THR 796 Ca 0.02 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 58.68 3cv5 s THR 796 Cb -0.14 -2.44 0.53 0.00 1.34 0.00 0.00 72.50 71.79 3cv5 s THR 796 CO 0.02 0.00 1.45 1.41 -0.54 0.00 0.00 174.62 176.96 3cv5 n HIS 797 N -0.73 0.98 -1.73 3.99 8.25 -1.26 -4.57 115.22 120.14 3cv5 n HIS 797 Ca -0.00 -0.63 -0.42 0.00 -0.26 0.00 0.00 57.72 56.41 3cv5 n HIS 797 Cb 0.64 -0.17 -0.02 0.00 1.12 0.00 0.00 29.99 31.56 3cv5 n HIS 797 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 3cv5 n ILE 798 N 0.57 0.54 -2.31 1.59 5.41 -1.26 -4.88 119.36 119.02 3cv5 n ILE 798 Ca 0.20 -0.13 -0.43 0.00 1.00 0.00 0.00 62.75 63.39 3cv5 n ILE 798 Cb 0.71 -1.98 0.00 0.00 -0.71 0.00 0.00 39.64 37.67 3cv5 n ILE 798 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 3cv5 n ASP 799 N 3.02 4.90 0.11 4.38 2.03 -1.26 -2.57 116.55 127.16 3cv5 n ASP 799 Ca 0.12 -3.05 0.12 0.00 0.52 0.00 0.00 54.79 52.50 3cv5 n ASP 799 Cb 0.36 -1.52 0.09 0.00 -0.72 0.00 0.00 41.12 39.32 3cv5 n ASP 799 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3cv5 h SER 800 N 5.99 0.00 0.00 1.67 4.64 -1.90 -3.41 113.55 120.54 3cv5 h SER 800 Ca 0.42 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 3cv5 h SER 800 Cb 0.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3cv5 h SER 800 CO 1.62 0.03 0.00 0.61 -0.87 0.00 0.00 176.83 178.23 3cv5 n GLY 801 N 1.22 3.35 0.77 -0.77 0.00 -1.26 -2.14 105.19 106.35 3cv5 n GLY 801 Ca 0.02 -0.14 0.07 0.00 0.00 0.00 0.00 46.02 45.96 3cv5 n GLY 801 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3cv5 n ASP 802 N 8.83 3.14 -4.81 1.61 5.68 -1.26 -3.14 116.55 126.60 3cv5 n ASP 802 Ca 0.00 -2.04 -0.36 0.00 -0.50 0.00 0.00 54.79 51.89 3cv5 n ASP 802 Cb 0.00 -0.29 -0.07 0.00 -1.14 0.00 0.00 41.12 39.62 3cv5 n ASP 802 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 3cv5 s ILE 803 N -1.08 5.07 0.25 2.12 -1.09 -0.91 -0.21 121.20 125.36 3cv5 s ILE 803 Ca 0.28 0.04 -0.15 0.00 -2.23 0.00 0.00 60.65 58.59 3cv5 s ILE 803 Cb 0.15 -3.18 0.00 0.00 -1.58 0.00 0.00 42.46 37.85 3cv5 s ILE 803 CO 0.18 0.61 0.55 0.72 -1.23 0.00 0.00 174.94 175.77 3cv5 s PHE 804 N -0.96 0.19 -0.01 3.97 -0.71 -0.73 -4.74 117.98 115.00 3cv5 s PHE 804 Ca 0.14 -0.58 0.04 0.00 -1.04 0.00 0.00 56.93 55.49 3cv5 s PHE 804 Cb -0.12 0.34 -0.01 0.00 -1.21 0.00 0.00 43.02 42.03 3cv5 s PHE 804 CO 0.03 -1.06 -0.12 0.71 -1.34 0.00 0.00 175.22 173.45 3cv5 s TYR 805 N -3.99 1.05 0.10 3.49 1.51 0.05 0.19 117.35 119.76 3cv5 s TYR 805 Ca 0.19 -0.21 0.02 0.00 -1.01 0.00 0.00 57.07 56.07 3cv5 s TYR 805 Cb -0.02 -0.68 -0.04 0.00 -0.11 0.00 0.00 41.96 41.11 3cv5 s TYR 805 CO 0.08 -0.03 -0.08 0.95 -1.11 0.00 0.00 175.55 175.37 3cv5 s THR 806 N -0.23 0.75 0.43 -0.71 -4.23 -0.97 -0.96 115.64 109.73 3cv5 s THR 806 Ca 0.04 -1.81 -0.01 0.00 -1.18 0.00 0.00 61.69 58.73 3cv5 s THR 806 Cb -0.05 -1.53 -0.02 0.00 1.34 0.00 0.00 72.50 72.24 3cv5 s THR 806 CO -0.00 -0.76 0.67 1.51 -0.54 0.00 0.00 174.62 175.50 3cv5 s ASP 807 N -2.81 6.04 -0.26 3.99 -4.77 -0.93 -0.54 116.67 117.39 3cv5 s ASP 807 Ca 0.09 0.49 -0.02 0.00 -3.30 0.00 0.00 52.55 49.81 3cv5 s ASP 807 Cb 0.02 -1.83 0.03 0.00 -1.09 0.00 0.00 42.92 40.05 3cv5 s ASP 807 CO -0.03 -0.58 -0.05 -0.76 0.70 0.00 0.00 175.17 174.45 3cv5 s LEU 808 N -4.55 3.36 -1.13 2.11 1.43 0.14 -4.42 118.68 115.63 3cv5 s LEU 808 Ca 0.46 -0.97 -0.00 0.00 -1.03 0.00 0.00 54.13 52.58 3cv5 s LEU 808 Cb -0.10 -1.67 0.00 0.00 0.03 0.00 0.00 46.19 44.45 3cv5 s LEU 808 CO 0.39 -0.16 0.01 0.59 0.23 0.00 0.00 176.35 177.42 3cv5 n ASN 809 N 4.65 -4.10 0.00 2.29 4.13 -1.26 -0.93 115.26 120.04 3cv5 n ASN 809 Ca -0.16 0.16 0.00 0.00 1.68 0.00 0.00 54.58 56.26 3cv5 n ASN 809 Cb 0.46 -3.48 0.00 0.00 -1.54 0.00 0.00 39.78 35.22 3cv5 n ASN 809 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3cv5 n GLY 810 N -0.84 0.33 0.09 7.41 0.00 -1.26 -0.71 105.19 110.21 3cv5 n GLY 810 Ca -0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 3cv5 n GLY 810 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3cv5 n LEU 811 N 0.00 2.67 -3.67 0.99 7.94 -0.11 -4.92 117.00 119.91 3cv5 n LEU 811 Ca 0.00 -0.09 -0.13 0.00 -1.11 0.00 0.00 56.01 54.68 3cv5 n LEU 811 Cb 0.18 -0.54 -0.07 0.00 0.53 0.00 0.00 43.42 43.53 3cv5 n LEU 811 CO 0.00 0.76 0.15 0.00 -1.11 0.00 0.00 177.39 177.19 3cv5 s GLN 812 N -2.36 0.90 -0.18 1.96 -2.07 -1.19 -4.99 119.66 111.72 3cv5 s GLN 812 Ca -0.23 -0.32 -0.06 0.00 -1.82 0.00 0.00 55.36 52.93 3cv5 s GLN 812 Cb 0.06 0.40 -0.04 0.00 -1.09 0.00 0.00 33.01 32.35 3cv5 s GLN 812 CO 0.44 -0.30 0.04 -0.06 -1.32 0.00 0.00 175.29 174.09 3cv5 s PHE 813 N -2.30 3.17 -0.08 9.60 0.40 -1.26 0.25 117.98 127.77 3cv5 s PHE 813 Ca -0.06 -0.08 0.02 0.00 -0.60 0.00 0.00 56.93 56.20 3cv5 s PHE 813 Cb -0.01 -2.07 -0.02 0.00 0.51 0.00 0.00 43.02 41.43 3cv5 s PHE 813 CO -0.01 0.04 -0.13 -1.50 0.70 0.00 0.00 175.22 174.33 3cv5 s ILE 814 N 0.52 3.18 0.10 0.64 2.07 0.30 -2.01 121.20 125.99 3cv5 s ILE 814 Ca 0.01 -0.66 -0.31 0.00 -1.41 0.00 0.00 60.65 58.29 3cv5 s ILE 814 Cb -0.13 -2.28 -0.08 0.00 0.13 0.00 0.00 42.46 40.10 3cv5 s ILE 814 CO 0.01 0.57 1.40 -0.75 -1.91 0.00 0.00 174.94 174.26 3cv5 s LYS 815 N -0.39 4.31 0.04 3.50 2.20 -0.41 -2.29 119.74 126.69 3cv5 s LYS 815 Ca 0.04 2.07 0.04 0.00 -0.36 0.00 0.00 55.97 57.76 3cv5 s LYS 815 Cb -0.12 -3.31 -0.04 0.00 -1.51 0.00 0.00 37.83 32.85 3cv5 s LYS 815 CO 0.02 -0.47 -0.05 1.03 -0.36 0.00 0.00 175.35 175.53 3cv5 s ARG 816 N 1.36 2.51 -0.14 4.03 1.81 0.13 -4.96 118.95 123.68 3cv5 s ARG 816 Ca 0.65 -0.78 0.01 0.00 -1.72 0.00 0.00 55.73 53.88 3cv5 s ARG 816 Cb -0.36 -2.50 0.02 0.00 -0.45 0.00 0.00 34.95 31.66 3cv5 s ARG 816 CO 0.30 0.57 -0.16 0.50 -0.68 0.00 0.00 175.30 175.83 3cv5 s ARG 817 N -1.78 2.47 0.20 3.54 3.52 -1.26 -1.78 118.95 123.87 3cv5 s ARG 817 Ca 0.20 -0.63 -0.31 0.00 -0.13 0.00 0.00 55.73 54.85 3cv5 s ARG 817 Cb -0.11 -2.16 -0.11 0.00 -1.56 0.00 0.00 34.95 31.01 3cv5 s ARG 817 CO 0.11 -0.17 1.61 0.50 -0.81 0.00 0.00 175.30 176.55 3cv5 s ARG 818 N 1.26 4.18 -0.28 5.12 3.52 0.71 -4.99 118.95 128.47 3cv5 s ARG 818 Ca 0.01 2.46 0.02 0.00 -0.13 0.00 0.00 55.73 58.09 3cv5 s ARG 818 Cb -0.14 -3.11 0.06 0.00 -1.56 0.00 0.00 34.95 30.21 3cv5 s ARG 818 CO -0.08 -0.64 -0.07 -0.51 -0.81 0.00 0.00 175.30 173.19 3cv5 s LEU 819 N 0.79 3.66 0.16 -0.88 1.43 -1.26 -4.93 118.68 117.65 3cv5 s LEU 819 Ca 0.70 -1.44 0.21 0.00 -1.03 0.00 0.00 54.13 52.56 3cv5 s LEU 819 Cb -0.46 -1.59 0.86 0.00 0.03 0.00 0.00 46.19 45.03 3cv5 s LEU 819 CO 0.35 -0.22 1.64 0.47 0.23 0.00 0.00 176.35 178.81 3cv5 n ASP 820 N 4.45 0.42 0.06 2.29 8.00 -1.26 -1.72 116.55 128.79 3cv5 n ASP 820 Ca -0.12 0.60 0.11 0.00 0.71 0.00 0.00 54.79 56.08 3cv5 n ASP 820 Cb 0.42 -0.69 0.44 0.00 -0.02 0.00 0.00 41.12 41.28 3cv5 n ASP 820 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 3cv5 n LYS 821 N -1.96 0.11 -4.14 -1.24 2.85 -1.26 -4.74 118.16 107.79 3cv5 n LYS 821 Ca 0.03 0.25 -0.28 0.00 -1.05 0.00 0.00 58.31 57.26 3cv5 n LYS 821 Cb 0.22 -1.68 -0.07 0.00 -0.65 0.00 0.00 35.03 32.85 3cv5 n LYS 821 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3cv5 s LEU 822 N -3.78 3.52 0.87 -5.58 1.43 -0.70 -5.06 118.68 109.38 3cv5 s LEU 822 Ca 0.08 -0.23 -0.11 0.00 -1.03 0.00 0.00 54.13 52.84 3cv5 s LEU 822 Cb 0.12 -2.19 0.12 0.00 0.03 0.00 0.00 46.19 44.26 3cv5 s LEU 822 CO 0.42 0.12 1.09 -2.16 0.23 0.00 0.00 176.35 176.05 3cv5 s PRO 823 N -2.71 1.44 0.21 1.29 0.04 -1.26 -4.89 135.00 129.12 3cv5 s PRO 823 Ca 0.28 1.02 -0.14 0.00 0.04 0.00 0.00 61.00 62.19 3cv5 s PRO 823 Cb -0.11 -1.81 0.23 0.00 0.04 0.00 0.00 34.50 32.85 3cv5 s PRO 823 CO 0.20 -2.17 1.62 1.25 0.04 0.00 0.00 177.00 177.94 3cv5 h LEU 824 N -1.51 -0.68 -2.62 -3.56 6.46 -1.96 -0.33 115.31 111.11 3cv5 h LEU 824 Ca -0.47 0.20 -0.00 0.00 -0.12 0.00 0.00 57.88 57.48 3cv5 h LEU 824 Cb 1.27 0.43 -0.00 0.00 -0.73 0.00 0.00 40.66 41.62 3cv5 h LEU 824 CO 0.52 -0.23 -0.01 0.06 -0.62 0.00 0.00 178.44 178.16 3cv5 h GLN 825 N -0.03 0.00 0.00 1.25 -0.00 -1.92 -1.13 115.11 113.28 3cv5 h GLN 825 Ca 0.30 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.91 3cv5 h GLN 825 Cb 0.49 0.00 -0.01 0.00 -0.00 0.00 0.00 27.48 27.96 3cv5 h GLN 825 CO -0.67 0.01 -0.18 0.00 -0.00 0.00 0.00 178.83 177.99 3cv5 h ALA 826 N 1.99 0.91 -0.07 0.06 0.00 -1.40 -3.11 119.26 117.65 3cv5 h ALA 826 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 3cv5 h ALA 826 Cb 0.11 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3cv5 h ALA 826 CO 0.00 0.22 0.00 0.09 0.00 0.00 0.00 179.25 179.56 3cv5 n ASN 827 N -3.18 1.34 -4.75 0.00 3.02 -0.43 -4.61 115.26 106.66 3cv5 n ASN 827 Ca 0.02 -1.53 -0.40 0.00 -0.03 0.00 0.00 54.58 52.64 3cv5 n ASN 827 Cb 0.55 -0.04 -0.05 0.00 -0.61 0.00 0.00 39.78 39.63 3cv5 n ASN 827 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3cv5 s TYR 828 N -1.92 3.87 0.13 3.10 1.51 -1.17 -4.62 117.35 118.25 3cv5 s TYR 828 Ca 0.36 1.74 0.04 0.00 -1.01 0.00 0.00 57.07 58.20 3cv5 s TYR 828 Cb 0.19 -2.92 -0.04 0.00 -0.11 0.00 0.00 41.96 39.08 3cv5 s TYR 828 CO 0.30 0.37 -0.09 0.71 -1.11 0.00 0.00 175.55 175.73 3cv5 s TYR 829 N -0.63 1.17 0.33 2.71 2.02 -0.21 -4.68 117.35 118.07 3cv5 s TYR 829 Ca 0.41 -0.79 -0.29 0.00 -0.37 0.00 0.00 57.07 56.03 3cv5 s TYR 829 Cb -0.24 -0.61 -0.11 0.00 -0.40 0.00 0.00 41.96 40.61 3cv5 s TYR 829 CO 0.28 0.03 1.45 -2.14 -1.57 0.00 0.00 175.55 173.61 3cv5 s PRO 830 N -3.73 4.20 -0.72 -1.71 0.02 -1.26 -1.57 135.00 130.22 3cv5 s PRO 830 Ca 0.15 2.45 0.04 0.00 0.02 0.00 0.00 61.00 63.66 3cv5 s PRO 830 Cb 0.03 -3.02 0.24 0.00 0.02 0.00 0.00 34.50 31.76 3cv5 s PRO 830 CO -0.01 -0.45 0.77 -0.89 -0.33 0.00 0.00 177.00 176.10 3cv5 n ILE 831 N 1.13 2.58 0.26 2.83 2.08 0.72 -4.53 119.36 124.43 3cv5 n ILE 831 Ca 0.03 -5.21 0.14 0.00 0.56 0.00 0.00 62.75 58.26 3cv5 n ILE 831 Cb 0.40 -2.14 0.68 0.00 -0.75 0.00 0.00 39.64 37.82 3cv5 n ILE 831 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 3cv5 h PRO 832 N 4.73 0.00 0.00 0.38 0.13 -1.78 -2.91 132.00 132.55 3cv5 h PRO 832 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 3cv5 h PRO 832 Cb 0.69 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.82 3cv5 h PRO 832 CO 0.86 0.11 0.00 -1.13 -0.23 0.00 0.00 178.00 177.62 3cv5 n SER 833 N -3.36 0.00 -3.62 1.44 3.41 -1.26 -3.83 113.62 106.39 3cv5 n SER 833 Ca -0.01 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.60 3cv5 n SER 833 Cb 0.30 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.24 3cv5 n SER 833 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3cv5 s GLY 834 N 0.00 -0.29 0.04 5.00 0.00 -1.26 -1.06 107.32 109.75 3cv5 s GLY 834 Ca 0.00 1.60 -0.16 0.00 0.00 0.00 0.00 44.72 46.16 3cv5 s GLY 834 CO 0.00 0.49 0.37 -3.16 0.00 0.00 0.00 173.10 170.80 3cv5 s MET 835 N -2.09 0.86 0.04 2.90 0.23 -0.58 -2.20 119.30 118.46 3cv5 s MET 835 Ca 0.12 -0.40 -0.14 0.00 -1.03 0.00 0.00 55.69 54.24 3cv5 s MET 835 Cb 0.01 0.38 0.02 0.00 -1.53 0.00 0.00 34.83 33.71 3cv5 s MET 835 CO -0.04 -0.28 0.31 -0.59 -2.03 0.00 0.00 175.02 172.39 3cv5 s PHE 836 N -2.41 -0.12 0.18 3.16 -0.12 -0.13 -1.02 117.98 117.52 3cv5 s PHE 836 Ca -0.06 -0.01 0.10 0.00 -0.05 0.00 0.00 56.93 56.92 3cv5 s PHE 836 Cb -0.01 0.10 -0.04 0.00 -0.63 0.00 0.00 43.02 42.44 3cv5 s PHE 836 CO -0.02 -0.50 -0.22 0.96 -0.05 0.00 0.00 175.22 175.38 3cv5 s ILE 837 N -2.50 2.16 0.08 -4.49 -4.36 -0.70 -0.77 121.20 110.63 3cv5 s ILE 837 Ca -0.05 -1.97 -0.20 0.00 -0.26 0.00 0.00 60.65 58.16 3cv5 s ILE 837 Cb -0.01 -2.01 0.05 0.00 1.25 0.00 0.00 42.46 41.73 3cv5 s ILE 837 CO -0.03 -0.17 0.48 -1.83 0.24 0.00 0.00 174.94 173.62 3cv5 s GLU 838 N -2.67 1.06 0.00 0.37 -1.05 -1.26 -1.14 118.70 114.00 3cv5 s GLU 838 Ca 0.19 -0.43 0.00 0.00 -0.15 0.00 0.00 54.97 54.58 3cv5 s GLU 838 Cb -0.07 0.48 0.00 0.00 -0.44 0.00 0.00 34.13 34.09 3cv5 s GLU 838 CO 0.09 -0.40 0.00 -0.40 0.95 0.00 0.00 175.26 175.50 3cv5 n ASP 839 N 0.13 1.94 -0.09 0.83 5.68 -0.28 -4.19 116.55 120.57 3cv5 n ASP 839 Ca -0.17 -0.16 0.12 0.00 -0.50 0.00 0.00 54.79 54.08 3cv5 n ASP 839 Cb 0.62 0.00 0.50 0.00 -1.14 0.00 0.00 41.12 41.10 3cv5 n ASP 839 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3cv5 h ALA 840 N 1.00 2.03 0.00 2.12 0.00 -1.98 -3.34 119.26 119.10 3cv5 h ALA 840 Ca 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3cv5 h ALA 840 Cb 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3cv5 h ALA 840 CO 0.00 -0.18 -1.56 0.09 0.00 0.00 0.00 179.25 177.61 3cv5 n ASN 841 N -4.47 2.88 -4.01 0.00 3.02 -1.26 -3.69 115.26 107.73 3cv5 n ASN 841 Ca 0.10 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.47 3cv5 n ASN 841 Cb 0.40 0.86 -0.15 0.00 -0.61 0.00 0.00 39.78 40.28 3cv5 n ASN 841 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3cv5 s THR 842 N -2.30 0.69 0.02 3.41 2.01 -1.25 -0.40 115.64 117.81 3cv5 s THR 842 Ca -0.04 -0.36 0.04 0.00 0.31 0.00 0.00 61.69 61.64 3cv5 s THR 842 Cb 0.03 -0.58 -0.02 0.00 0.01 0.00 0.00 72.50 71.94 3cv5 s THR 842 CO 0.36 0.20 -0.12 -0.60 -0.69 0.00 0.00 174.62 173.76 3cv5 s ARG 843 N -0.13 0.90 -0.15 4.92 3.52 -0.27 -1.13 118.95 126.61 3cv5 s ARG 843 Ca 0.02 -0.60 0.01 0.00 -0.13 0.00 0.00 55.73 55.03 3cv5 s ARG 843 Cb -0.04 -0.88 0.02 0.00 -1.56 0.00 0.00 34.95 32.49 3cv5 s ARG 843 CO -0.00 0.23 -0.19 -1.17 -0.81 0.00 0.00 175.30 173.36 3cv5 s LEU 844 N -0.79 1.96 -0.12 -0.88 2.96 -0.29 -1.38 118.68 120.15 3cv5 s LEU 844 Ca 0.02 -0.56 0.01 0.00 -0.22 0.00 0.00 54.13 53.38 3cv5 s LEU 844 Cb -0.06 -1.34 -0.01 0.00 0.50 0.00 0.00 46.19 45.27 3cv5 s LEU 844 CO 0.00 0.02 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.01 3cv5 s THR 845 N 1.12 2.85 -0.27 3.68 2.01 0.00 -1.73 115.64 123.31 3cv5 s THR 845 Ca -0.01 -0.74 -0.04 0.00 0.31 0.00 0.00 61.69 61.21 3cv5 s THR 845 Cb -0.14 -2.17 0.02 0.00 0.01 0.00 0.00 72.50 70.21 3cv5 s THR 845 CO -0.07 0.54 -0.00 -0.22 -0.69 0.00 0.00 174.62 174.17 3cv5 s LEU 846 N 0.26 3.44 0.04 4.42 2.96 -0.19 -0.88 118.68 128.73 3cv5 s LEU 846 Ca -0.11 -0.78 -0.07 0.00 -0.22 0.00 0.00 54.13 52.96 3cv5 s LEU 846 Cb -0.16 -1.76 -0.05 0.00 0.50 0.00 0.00 46.19 44.73 3cv5 s LEU 846 CO 0.06 -0.15 0.30 -0.76 -1.32 0.00 0.00 176.35 174.48 3cv5 s LEU 847 N 1.40 4.36 0.09 -0.68 2.01 -0.28 -1.53 118.68 124.06 3cv5 s LEU 847 Ca 0.01 0.59 0.10 0.00 0.01 0.00 0.00 54.13 54.85 3cv5 s LEU 847 Cb -0.17 -2.81 -0.04 0.00 0.01 0.00 0.00 46.19 43.19 3cv5 s LEU 847 CO -0.02 0.21 -0.27 0.42 1.01 0.00 0.00 176.35 177.71 3cv5 s THR 848 N -1.36 2.22 -1.29 5.49 -4.23 -0.22 -1.52 115.64 114.73 3cv5 s THR 848 Ca 0.30 -1.60 0.15 0.00 -1.18 0.00 0.00 61.69 59.36 3cv5 s THR 848 Cb -0.13 -1.93 0.57 0.00 1.34 0.00 0.00 72.50 72.34 3cv5 s THR 848 CO 0.18 0.21 1.45 0.61 -0.54 0.00 0.00 174.62 176.53 3cv5 n GLY 849 N 1.28 2.14 3.56 3.99 0.00 -0.23 -4.74 105.19 111.18 3cv5 n GLY 849 Ca -0.17 -0.67 -0.15 0.00 0.00 0.00 0.00 46.02 45.02 3cv5 n GLY 849 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3cv5 s GLN 850 N -1.74 0.91 0.04 1.61 0.00 -1.26 -4.75 119.66 114.47 3cv5 s GLN 850 Ca 0.40 0.39 -0.30 0.00 -0.00 0.00 0.00 55.36 55.85 3cv5 s GLN 850 Cb 0.26 0.43 -0.05 0.00 0.00 0.00 0.00 33.01 33.65 3cv5 s GLN 850 CO 0.20 -0.25 1.11 -1.25 0.00 0.00 0.00 175.29 175.10 3cv5 s PRO 851 N -0.81 4.49 0.19 9.60 0.04 -1.25 -4.72 135.00 142.54 3cv5 s PRO 851 Ca -0.07 1.63 -0.04 0.00 0.04 0.00 0.00 61.00 62.56 3cv5 s PRO 851 Cb -0.01 -3.39 -0.03 0.00 0.04 0.00 0.00 34.50 31.11 3cv5 s PRO 851 CO 0.06 -0.16 0.20 -0.51 0.04 0.00 0.00 177.00 176.63 3cv5 s LEU 852 N 0.99 1.07 0.21 -3.56 1.43 -1.10 -4.77 118.68 112.96 3cv5 s LEU 852 Ca 0.56 -1.20 -0.06 0.00 -1.03 0.00 0.00 54.13 52.39 3cv5 s LEU 852 Cb -0.26 0.74 -0.06 0.00 0.03 0.00 0.00 46.19 46.63 3cv5 s LEU 852 CO 0.29 -0.89 0.48 -0.83 0.23 0.00 0.00 176.35 175.63 3cv5 s GLY 853 N -3.09 2.14 0.18 -3.19 0.00 -1.04 -0.20 107.32 102.12 3cv5 s GLY 853 Ca 0.30 -0.47 -0.20 0.00 0.00 0.00 0.00 44.72 44.35 3cv5 s GLY 853 CO 0.08 -0.37 0.95 0.61 0.00 0.00 0.00 173.10 174.37 3cv5 n GLY 854 N -0.28 0.67 3.85 0.20 0.00 -0.61 -0.13 105.19 108.90 3cv5 n GLY 854 Ca -0.01 -1.14 -0.06 0.00 0.00 0.00 0.00 46.02 44.81 3cv5 n GLY 854 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3cv5 s SER 855 N -3.24 0.02 -0.32 1.61 0.15 -0.48 -1.05 113.70 110.39 3cv5 s SER 855 Ca 0.21 -0.93 0.01 0.00 0.70 0.00 0.00 55.95 55.94 3cv5 s SER 855 Cb -0.03 0.67 0.10 0.00 -1.71 0.00 0.00 66.02 65.05 3cv5 s SER 855 CO 0.05 -1.33 0.08 -0.55 1.20 0.00 0.00 173.24 172.69 3cv5 s SER 856 N -3.28 4.26 0.00 5.45 0.15 -1.26 -0.81 113.70 118.21 3cv5 s SER 856 Ca 0.20 -1.79 0.26 0.00 0.70 0.00 0.00 55.95 55.31 3cv5 s SER 856 Cb -0.04 -1.12 0.64 0.00 -1.71 0.00 0.00 66.02 63.79 3cv5 s SER 856 CO 0.08 -0.40 1.50 0.18 1.20 0.00 0.00 173.24 175.80 3cv5 n LEU 857 N 4.65 0.78 -3.65 3.45 4.77 -1.26 -4.83 117.00 120.92 3cv5 n LEU 857 Ca -0.00 -0.14 -0.12 0.00 -0.03 0.00 0.00 56.01 55.71 3cv5 n LEU 857 Cb 0.42 -0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 41.27 3cv5 n LEU 857 CO 0.15 0.16 0.17 0.00 -1.33 0.00 0.00 177.39 176.54 3cv5 s ALA 858 N -2.73 -1.02 0.26 -1.18 0.00 -1.26 -5.09 121.76 110.73 3cv5 s ALA 858 Ca 0.18 0.27 -0.30 0.00 0.00 0.00 0.00 51.96 52.12 3cv5 s ALA 858 Cb 0.18 0.41 -0.14 0.00 0.00 0.00 0.00 23.12 23.57 3cv5 s ALA 858 CO 0.60 -0.49 1.18 0.45 0.00 0.00 0.00 175.76 177.50 3cv5 n SER 859 N 0.37 1.86 0.00 0.00 2.88 -1.19 -1.61 113.62 115.93 3cv5 n SER 859 Ca -0.18 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.53 3cv5 n SER 859 Cb 0.60 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.73 3cv5 n SER 859 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3cv5 n GLY 860 N 1.56 1.47 3.75 0.46 0.00 -1.06 -4.90 105.19 106.47 3cv5 n GLY 860 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 3cv5 n GLY 860 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cv5 s GLU 861 N -0.16 2.80 0.04 1.61 2.02 -0.63 -1.11 118.70 123.27 3cv5 s GLU 861 Ca 0.00 -0.72 0.05 0.00 0.02 0.00 0.00 54.97 54.31 3cv5 s GLU 861 Cb 0.00 -2.68 -0.02 0.00 0.10 0.00 0.00 34.13 31.53 3cv5 s GLU 861 CO 0.00 0.56 -0.13 -0.51 0.02 0.00 0.00 175.26 175.20 3cv5 s LEU 862 N -2.36 2.19 0.02 1.80 1.43 -0.82 -4.47 118.68 116.48 3cv5 s LEU 862 Ca 0.28 -0.48 -0.13 0.00 -1.03 0.00 0.00 54.13 52.77 3cv5 s LEU 862 Cb -0.12 -0.54 0.02 0.00 0.03 0.00 0.00 46.19 45.58 3cv5 s LEU 862 CO 0.21 -0.01 0.29 -1.83 0.23 0.00 0.00 176.35 175.24 3cv5 s GLU 863 N -1.26 0.74 -0.12 1.70 -1.05 0.01 0.01 118.70 118.74 3cv5 s GLU 863 Ca -0.00 -0.41 -0.05 0.00 -0.15 0.00 0.00 54.97 54.35 3cv5 s GLU 863 Cb -0.08 0.32 0.05 0.00 -0.44 0.00 0.00 34.13 33.98 3cv5 s GLU 863 CO 0.01 -0.22 0.26 -1.50 0.95 0.00 0.00 175.26 174.76 3cv5 s ILE 864 N -2.11 -0.17 0.27 1.83 2.07 -0.09 -1.38 121.20 121.61 3cv5 s ILE 864 Ca -0.08 0.20 -0.29 0.00 -1.41 0.00 0.00 60.65 59.06 3cv5 s ILE 864 Cb -0.03 -0.41 -0.09 0.00 0.13 0.00 0.00 42.46 42.06 3cv5 s ILE 864 CO -0.01 0.08 1.18 -0.32 -1.91 0.00 0.00 174.94 173.97 3cv5 s MET 865 N 1.68 4.53 -0.24 3.50 -2.45 0.82 -1.40 119.30 125.74 3cv5 s MET 865 Ca -0.06 1.94 -0.05 0.00 -1.25 0.00 0.00 55.69 56.28 3cv5 s MET 865 Cb -0.11 -3.17 -0.17 0.00 1.25 0.00 0.00 34.83 32.63 3cv5 s MET 865 CO -0.09 0.03 -0.15 1.04 1.05 0.00 0.00 175.02 176.91 3cv5 n GLN 866 N 1.37 0.65 -3.75 4.11 1.13 0.14 -4.46 117.38 116.57 3cv5 n GLN 866 Ca 0.00 0.22 -0.04 0.00 -1.94 0.00 0.00 57.00 55.24 3cv5 n GLN 866 Cb 0.44 -1.55 -0.02 0.00 0.11 0.00 0.00 30.24 29.22 3cv5 n GLN 866 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 3cv5 s ASP 867 N -6.86 -0.21 -0.17 1.08 -1.08 -1.22 -4.84 116.67 103.38 3cv5 s ASP 867 Ca -0.34 -0.41 -0.13 0.00 -0.52 0.00 0.00 52.55 51.16 3cv5 s ASP 867 Cb 0.10 0.52 0.05 0.00 -1.46 0.00 0.00 42.92 42.13 3cv5 s ASP 867 CO 0.60 -0.96 0.43 0.00 0.52 0.00 0.00 175.17 175.75 3cv5 s ARG 868 N -3.39 0.47 -0.15 4.34 1.70 -1.26 -1.41 118.95 119.25 3cv5 s ARG 868 Ca 0.11 0.67 -0.01 0.00 -0.47 0.00 0.00 55.73 56.04 3cv5 s ARG 868 Cb -0.02 0.15 0.04 0.00 -0.57 0.00 0.00 34.95 34.55 3cv5 s ARG 868 CO 0.02 -0.09 -0.04 0.50 -1.08 0.00 0.00 175.30 174.61 3cv5 s ARG 869 N 0.65 1.24 -0.08 3.89 3.52 -0.28 -4.84 118.95 123.05 3cv5 s ARG 869 Ca -0.03 -0.39 0.01 0.00 -0.13 0.00 0.00 55.73 55.19 3cv5 s ARG 869 Cb -0.05 -1.82 0.02 0.00 -1.56 0.00 0.00 34.95 31.54 3cv5 s ARG 869 CO -0.04 -0.42 -0.09 -0.51 -0.81 0.00 0.00 175.30 173.43 3cv5 s LEU 870 N 1.72 1.44 0.26 -0.88 1.43 -0.08 -0.17 118.68 122.41 3cv5 s LEU 870 Ca 0.02 -0.27 0.16 0.00 -1.03 0.00 0.00 54.13 53.01 3cv5 s LEU 870 Cb -0.15 -0.76 0.06 0.00 0.03 0.00 0.00 46.19 45.38 3cv5 s LEU 870 CO -0.07 -0.03 1.37 0.00 0.23 0.00 0.00 176.35 177.85 3cv5 h ALA 871 N 7.37 0.69 -2.74 4.21 0.00 -1.87 0.36 119.26 127.28 3cv5 h ALA 871 Ca -0.31 -0.45 -0.58 0.00 0.00 0.00 0.00 54.91 53.57 3cv5 h ALA 871 Cb 1.16 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 3cv5 h ALA 871 CO 0.45 0.59 -0.48 -1.12 0.00 0.00 0.00 179.25 178.68 3cv5 s SER 872 N -6.32 6.35 0.42 0.00 0.01 -1.26 -4.18 113.70 108.72 3cv5 s SER 872 Ca 0.03 0.22 -0.22 0.00 1.31 0.00 0.00 55.95 57.30 3cv5 s SER 872 Cb 0.07 -1.94 -0.10 0.00 0.21 0.00 0.00 66.02 64.27 3cv5 s SER 872 CO 0.75 0.11 0.97 -0.62 0.41 0.00 0.00 173.24 174.86 3cv5 s ASP 873 N -2.86 6.89 -0.27 2.44 2.15 -1.26 -3.95 116.67 119.81 3cv5 s ASP 873 Ca 0.35 1.77 0.10 0.00 0.43 0.00 0.00 52.55 55.21 3cv5 s ASP 873 Cb -0.12 -2.55 0.51 0.00 -0.30 0.00 0.00 42.92 40.45 3cv5 s ASP 873 CO 0.28 -0.40 1.45 -0.90 -0.17 0.00 0.00 175.17 175.44 3cv5 n ASP 874 N -0.48 2.73 -0.99 -0.34 5.75 -1.26 -4.81 116.55 117.15 3cv5 n ASP 874 Ca 0.07 -3.62 -0.10 0.00 -0.01 0.00 0.00 54.79 51.12 3cv5 n ASP 874 Cb 0.53 -0.62 -0.02 0.00 -1.03 0.00 0.00 41.12 39.98 3cv5 n ASP 874 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3cv5 n GLU 875 N -1.02 -0.77 -0.11 0.11 1.02 -1.26 -4.86 120.64 113.75 3cv5 n GLU 875 Ca 0.31 0.68 0.05 0.00 -0.02 0.00 0.00 57.16 58.18 3cv5 n GLU 875 Cb 1.01 -4.69 0.11 0.00 -0.02 0.00 0.00 31.44 27.84 3cv5 n GLU 875 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3cv5 n ARG 876 N -2.35 2.30 0.00 3.49 5.12 -1.26 -4.99 116.66 118.97 3cv5 n ARG 876 Ca -0.11 -1.74 0.00 0.00 -1.93 0.00 0.00 57.85 54.06 3cv5 n ARG 876 Cb 0.47 -1.21 0.00 0.00 -1.16 0.00 0.00 32.46 30.56 3cv5 n ARG 876 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3cv5 n GLY 877 N 0.37 0.57 0.24 -0.13 0.00 -1.26 -4.99 105.19 99.99 3cv5 n GLY 877 Ca 0.09 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 3cv5 n GLY 877 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3cv5 h LEU 878 N 0.00 0.81 1.09 0.99 5.85 -1.94 -3.48 115.31 118.64 3cv5 h LEU 878 Ca 0.00 -0.40 -0.17 0.00 0.84 0.00 0.00 57.88 58.15 3cv5 h LEU 878 Cb 0.00 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 3cv5 h LEU 878 CO 0.00 1.15 -0.21 0.61 -0.34 0.00 0.00 178.44 179.65 3cv5 n GLY 879 N 0.19 0.19 3.54 3.75 0.00 -1.26 -4.85 105.19 106.75 3cv5 n GLY 879 Ca -0.03 -0.54 -0.09 0.00 0.00 0.00 0.00 46.02 45.35 3cv5 n GLY 879 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3cv5 s GLN 880 N -4.13 1.21 0.00 1.61 -2.07 -1.26 -4.98 119.66 110.03 3cv5 s GLN 880 Ca 0.00 -0.51 0.00 0.00 -1.82 0.00 0.00 55.36 53.03 3cv5 s GLN 880 Cb 0.00 0.51 0.00 0.00 -1.09 0.00 0.00 33.01 32.43 3cv5 s GLN 880 CO 0.00 -0.54 0.00 0.41 -1.32 0.00 0.00 175.29 173.84 3cv5 n GLY 881 N -0.36 0.30 2.92 2.60 0.00 -1.25 -4.16 105.19 105.23 3cv5 n GLY 881 Ca -0.12 -1.75 -0.30 0.00 0.00 0.00 0.00 46.02 43.85 3cv5 n GLY 881 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3cv5 s VAL 882 N 0.72 2.10 -0.05 1.61 1.01 0.13 -4.89 120.40 121.03 3cv5 s VAL 882 Ca 0.00 -2.62 0.07 0.00 0.00 0.00 0.00 61.98 59.43 3cv5 s VAL 882 Cb 0.00 -2.51 0.11 0.00 0.00 0.00 0.00 36.38 33.98 3cv5 s VAL 882 CO 0.00 -0.72 0.99 0.18 0.00 0.00 0.00 175.10 175.55 3cv5 n LEU 883 N 3.80 1.41 -1.83 3.92 4.77 -1.26 -0.90 117.00 126.91 3cv5 n LEU 883 Ca 0.04 -1.93 -0.10 0.00 -0.03 0.00 0.00 56.01 54.00 3cv5 n LEU 883 Cb 0.37 -0.17 0.24 0.00 -2.33 0.00 0.00 43.42 41.54 3cv5 n LEU 883 CO 0.25 0.46 1.03 -0.90 -1.33 0.00 0.00 177.39 176.90 3cv5 n ASP 884 N -0.69 3.99 -4.64 -1.43 5.68 -1.26 -5.03 116.55 113.17 3cv5 n ASP 884 Ca 0.06 -3.43 -0.38 0.00 -0.50 0.00 0.00 54.79 50.54 3cv5 n ASP 884 Cb 0.54 -0.74 0.05 0.00 -1.14 0.00 0.00 41.12 39.83 3cv5 n ASP 884 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 3cv5 n ASN 885 N -0.68 1.10 -3.87 -1.12 4.13 -1.26 -5.04 115.26 108.52 3cv5 n ASN 885 Ca 0.44 0.82 -0.10 0.00 1.68 0.00 0.00 54.58 57.42 3cv5 n ASN 885 Cb 1.38 -1.43 -0.09 0.00 -1.54 0.00 0.00 39.78 38.10 3cv5 n ASN 885 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 3cv5 s LYS 886 N -2.84 0.61 0.26 3.52 -2.85 -1.26 -4.97 119.74 112.21 3cv5 s LYS 886 Ca 0.76 -0.60 -0.30 0.00 -1.00 0.00 0.00 55.97 54.83 3cv5 s LYS 886 Cb -0.41 0.25 -0.14 0.00 -2.06 0.00 0.00 37.83 35.47 3cv5 s LYS 886 CO 0.46 -0.16 1.30 -2.30 0.10 0.00 0.00 175.35 174.75 3cv5 n PRO 887 N 0.92 1.85 -4.16 1.78 -0.02 -1.26 -4.83 135.00 129.29 3cv5 n PRO 887 Ca -0.20 0.66 -0.15 0.00 -2.02 0.00 0.00 63.50 61.78 3cv5 n PRO 887 Cb 0.58 -2.24 -0.14 0.00 -0.02 0.00 0.00 33.50 31.68 3cv5 n PRO 887 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3cv5 s VAL 888 N -0.43 0.49 -0.51 -1.45 0.11 -0.75 -4.93 120.40 112.92 3cv5 s VAL 888 Ca 0.65 -0.47 -0.14 0.00 -2.93 0.00 0.00 61.98 59.09 3cv5 s VAL 888 Cb -0.66 -0.45 0.12 0.00 -1.53 0.00 0.00 36.38 33.85 3cv5 s VAL 888 CO 0.54 -0.00 0.44 -0.22 -3.33 0.00 0.00 175.10 172.53 3cv5 s LEU 889 N -0.51 5.94 0.14 2.54 2.96 -1.26 -0.22 118.68 128.26 3cv5 s LEU 889 Ca -0.01 -1.73 -0.23 0.00 -0.22 0.00 0.00 54.13 51.94 3cv5 s LEU 889 Cb -0.04 -2.15 -0.08 0.00 0.50 0.00 0.00 46.19 44.42 3cv5 s LEU 889 CO -0.00 -0.77 0.71 -1.00 -1.32 0.00 0.00 176.35 173.97 3cv5 s HIS 890 N 1.55 3.87 0.09 5.38 3.76 -0.06 -4.91 115.29 124.97 3cv5 s HIS 890 Ca 0.04 1.52 0.08 0.00 -0.15 0.00 0.00 55.06 56.55 3cv5 s HIS 890 Cb -0.28 -2.68 -0.03 0.00 1.11 0.00 0.00 32.58 30.70 3cv5 s HIS 890 CO 0.03 0.53 -0.21 0.96 -0.85 0.00 0.00 174.74 175.20 3cv5 s ILE 891 N -1.15 1.72 0.15 0.60 -4.36 -1.26 -1.00 121.20 115.91 3cv5 s ILE 891 Ca 0.34 -1.48 -0.12 0.00 -0.26 0.00 0.00 60.65 59.13 3cv5 s ILE 891 Cb -0.22 -1.55 0.01 0.00 1.25 0.00 0.00 42.46 41.95 3cv5 s ILE 891 CO 0.24 0.00 0.35 -0.31 0.24 0.00 0.00 174.94 175.46 3cv5 s TYR 892 N -1.08 0.12 0.01 1.37 1.51 0.04 -1.07 117.35 118.26 3cv5 s TYR 892 Ca 0.07 -0.49 0.06 0.00 -1.01 0.00 0.00 57.07 55.70 3cv5 s TYR 892 Cb -0.10 0.11 -0.02 0.00 -0.11 0.00 0.00 41.96 41.84 3cv5 s TYR 892 CO 0.04 -0.74 -0.19 1.03 -1.11 0.00 0.00 175.55 174.58 3cv5 s ARG 893 N -3.90 1.40 -0.24 -0.62 1.81 -0.58 -1.11 118.95 115.72 3cv5 s ARG 893 Ca 0.11 -0.79 0.02 0.00 -1.72 0.00 0.00 55.73 53.35 3cv5 s ARG 893 Cb 0.02 -1.42 0.04 0.00 -0.45 0.00 0.00 34.95 33.14 3cv5 s ARG 893 CO -0.05 0.38 -0.13 -1.17 -0.68 0.00 0.00 175.30 173.65 3cv5 s LEU 894 N -0.81 3.05 -0.30 2.53 2.96 -0.80 -1.12 118.68 124.19 3cv5 s LEU 894 Ca 0.07 -1.12 0.00 0.00 -0.22 0.00 0.00 54.13 52.86 3cv5 s LEU 894 Cb -0.08 -1.55 0.06 0.00 0.50 0.00 0.00 46.19 45.13 3cv5 s LEU 894 CO 0.01 -0.13 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.20 3cv5 s VAL 895 N 1.18 2.69 -0.18 1.68 1.01 -0.06 -3.71 120.40 123.02 3cv5 s VAL 895 Ca -0.04 -1.61 -0.13 0.00 0.00 0.00 0.00 61.98 60.20 3cv5 s VAL 895 Cb -0.18 -2.62 -0.05 0.00 0.00 0.00 0.00 36.38 33.54 3cv5 s VAL 895 CO -0.07 -0.18 0.26 -0.22 0.00 0.00 0.00 175.10 174.89 3cv5 s LEU 896 N 1.16 4.22 0.02 3.92 2.96 -1.26 -0.82 118.68 128.88 3cv5 s LEU 896 Ca -0.04 0.41 -0.03 0.00 -0.22 0.00 0.00 54.13 54.26 3cv5 s LEU 896 Cb -0.20 -2.31 -0.01 0.00 0.50 0.00 0.00 46.19 44.17 3cv5 s LEU 896 CO -0.03 0.09 0.04 -1.61 -1.32 0.00 0.00 176.35 173.52 3cv5 s GLU 897 N 0.59 0.44 -0.09 1.98 2.02 -0.48 -5.01 118.70 118.14 3cv5 s GLU 897 Ca 0.14 -0.64 -0.25 0.00 0.02 0.00 0.00 54.97 54.24 3cv5 s GLU 897 Cb -0.13 0.17 -0.03 0.00 0.10 0.00 0.00 34.13 34.24 3cv5 s GLU 897 CO 0.03 -0.09 0.79 0.15 0.02 0.00 0.00 175.26 176.16 3cv5 s LYS 898 N -1.88 4.41 0.00 1.61 -0.14 -1.26 -1.11 119.74 121.37 3cv5 s LYS 898 Ca -0.12 1.01 0.00 0.00 -1.36 0.00 0.00 55.97 55.51 3cv5 s LYS 898 Cb -0.06 -3.49 0.00 0.00 -1.68 0.00 0.00 37.83 32.60 3cv5 s LYS 898 CO -0.02 -0.08 0.90 1.33 -0.76 0.00 0.00 175.35 176.73 3cv5 n VAL 899 N 4.10 0.80 0.29 3.17 0.24 0.46 -4.74 118.33 122.66 3cv5 n VAL 899 Ca 0.02 -0.90 0.15 0.00 -2.04 0.00 0.00 64.34 61.56 3cv5 n VAL 899 Cb 0.50 0.60 0.87 0.00 -1.47 0.00 0.00 33.84 34.34 3cv5 n VAL 899 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 3cv5 h ASN 900 N 0.02 0.00 0.13 -1.34 -1.07 -1.63 -1.73 115.58 109.96 3cv5 h ASN 900 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3cv5 h ASN 900 Cb 0.40 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.65 3cv5 h ASN 900 CO 0.00 0.04 -0.32 0.59 0.07 0.00 0.00 177.43 177.80 3cv5 n ASN 901 N -3.76 1.44 -4.76 6.14 3.02 -1.26 -4.96 115.26 111.12 3cv5 n ASN 901 Ca -0.03 -1.16 -0.39 0.00 -0.03 0.00 0.00 54.58 52.98 3cv5 n ASN 901 Cb 0.13 0.25 -0.05 0.00 -0.61 0.00 0.00 39.78 39.50 3cv5 n ASN 901 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3cv5 s VAL 903 N -1.33 3.89 0.22 0.00 1.01 0.47 -4.99 120.40 119.67 3cv5 s VAL 903 Ca 0.47 0.19 0.05 0.00 0.00 0.00 0.00 61.98 62.69 3cv5 s VAL 903 Cb -0.27 -4.85 -0.03 0.00 0.00 0.00 0.00 36.38 31.23 3cv5 s VAL 903 CO 0.34 -1.74 0.31 -0.13 0.00 0.00 0.00 175.10 173.87 3cv5 s ARG 904 N 5.26 3.33 0.84 2.72 0.52 -1.26 -4.50 118.95 125.86 3cv5 s ARG 904 Ca 0.31 -0.78 -0.12 0.00 -0.52 0.00 0.00 55.73 54.62 3cv5 s ARG 904 Cb -0.11 -2.84 0.10 0.00 0.52 0.00 0.00 34.95 32.62 3cv5 s ARG 904 CO 0.14 0.45 1.15 -2.30 0.02 0.00 0.00 175.30 174.75 3cv5 n PRO 905 N -1.12 -0.01 -0.98 3.54 -0.02 -1.26 -4.93 135.00 130.21 3cv5 n PRO 905 Ca -0.08 0.07 -0.29 0.00 -2.02 0.00 0.00 63.50 61.18 3cv5 n PRO 905 Cb 0.56 -2.39 0.18 0.00 -0.02 0.00 0.00 33.50 31.83 3cv5 n PRO 905 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3cv5 s SER 906 N -2.25 2.48 0.57 2.55 1.04 -1.26 -4.89 113.70 111.95 3cv5 s SER 906 Ca 0.71 1.45 0.27 0.00 0.48 0.00 0.00 55.95 58.86 3cv5 s SER 906 Cb -0.27 -2.13 1.59 0.00 0.10 0.00 0.00 66.02 65.30 3cv5 s SER 906 CO 0.53 -3.26 2.09 0.11 0.98 0.00 0.00 173.24 173.70 3cv5 h LYS 907 N -1.97 0.00 -0.02 4.02 1.57 -2.00 -1.48 116.57 116.69 3cv5 h LYS 907 Ca -0.54 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 3cv5 h LYS 907 Cb 1.31 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.62 3cv5 h LYS 907 CO 0.53 0.00 -0.06 1.28 -0.57 0.00 0.00 179.45 180.63 3cv5 n LEU 908 N -3.96 2.23 -4.72 2.94 4.77 -1.26 -4.90 117.00 112.10 3cv5 n LEU 908 Ca 0.02 -0.75 -0.41 0.00 -0.03 0.00 0.00 56.01 54.84 3cv5 n LEU 908 Cb 0.34 -0.01 -0.04 0.00 -2.33 0.00 0.00 43.42 41.38 3cv5 n LEU 908 CO 0.29 0.38 0.70 -2.28 -1.33 0.00 0.00 177.39 175.15 3cv5 s HIS 909 N -2.08 3.71 -1.76 -1.77 2.46 -0.56 -4.94 115.29 110.35 3cv5 s HIS 909 Ca 0.31 1.70 0.31 0.00 0.47 0.00 0.00 55.06 57.85 3cv5 s HIS 909 Cb 0.20 -3.13 1.74 0.00 -0.13 0.00 0.00 32.58 31.26 3cv5 s HIS 909 CO 0.35 -0.08 2.15 -0.35 -2.47 0.00 0.00 174.74 174.34 3cv5 n PRO 910 N 3.20 0.75 -4.06 2.88 -0.04 -1.26 -4.88 135.00 131.59 3cv5 n PRO 910 Ca 0.04 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.28 3cv5 n PRO 910 Cb 0.49 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.40 3cv5 n PRO 910 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3cv5 s ALA 911 N -2.24 3.58 0.26 0.55 0.00 -1.26 -1.29 121.76 121.35 3cv5 s ALA 911 Ca 0.40 -1.56 0.03 0.00 0.00 0.00 0.00 51.96 50.83 3cv5 s ALA 911 Cb 0.21 -1.13 -0.05 0.00 0.00 0.00 0.00 23.12 22.15 3cv5 s ALA 911 CO 0.41 0.17 0.04 0.20 0.00 0.00 0.00 175.76 176.57 3cv5 s GLY 912 N -3.86 1.73 0.01 0.00 0.00 -0.85 -4.74 107.32 99.60 3cv5 s GLY 912 Ca 0.35 -1.86 0.01 0.00 0.00 0.00 0.00 44.72 43.22 3cv5 s GLY 912 CO 0.24 -1.69 -0.03 -0.19 0.00 0.00 0.00 173.10 171.44 3cv5 s TYR 913 N -3.47 0.27 0.71 1.90 2.02 -1.26 -4.00 117.35 113.51 3cv5 s TYR 913 Ca 0.33 -0.18 -0.13 0.00 -0.37 0.00 0.00 57.07 56.72 3cv5 s TYR 913 Cb 0.07 -0.18 0.02 0.00 -0.40 0.00 0.00 41.96 41.48 3cv5 s TYR 913 CO 0.12 -0.05 1.09 -0.51 -1.57 0.00 0.00 175.55 174.63 3cv5 s LEU 914 N -0.50 3.22 0.75 -1.29 1.43 -1.26 -4.71 118.68 116.31 3cv5 s LEU 914 Ca -0.04 1.87 -0.11 0.00 -1.03 0.00 0.00 54.13 54.82 3cv5 s LEU 914 Cb -0.04 -4.53 0.04 0.00 0.03 0.00 0.00 46.19 41.70 3cv5 s LEU 914 CO -0.00 -1.75 1.12 0.42 0.23 0.00 0.00 176.35 176.37 3cv5 s THR 915 N -2.67 2.81 0.20 5.49 -4.23 -1.26 -1.23 115.64 114.75 3cv5 s THR 915 Ca 0.63 0.23 -0.10 0.00 -1.18 0.00 0.00 61.69 61.27 3cv5 s THR 915 Cb -0.18 -3.25 0.13 0.00 1.34 0.00 0.00 72.50 70.54 3cv5 s THR 915 CO 0.49 -0.33 1.77 -1.28 -0.54 0.00 0.00 174.62 174.72 3cv5 h SER 916 N -0.81 0.34 -0.40 3.99 0.87 -1.94 -1.05 113.55 114.55 3cv5 h SER 916 Ca -0.45 0.06 -0.08 0.00 -1.23 0.00 0.00 61.79 60.09 3cv5 h SER 916 Cb 1.29 0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 63.23 3cv5 h SER 916 CO 0.64 0.21 -0.01 0.00 -0.53 0.00 0.00 176.83 177.15 3cv5 h ALA 917 N 1.38 1.08 -0.10 6.23 0.00 -1.99 -0.12 119.26 125.74 3cv5 h ALA 917 Ca 0.29 -0.27 -0.21 0.00 0.00 0.00 0.00 54.91 54.72 3cv5 h ALA 917 Cb 0.30 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.90 3cv5 h ALA 917 CO -0.25 0.58 -0.80 0.00 0.00 0.00 0.00 179.25 178.78 3cv5 h ALA 918 N 1.24 0.40 -0.23 0.00 0.00 -1.82 -0.66 119.26 118.19 3cv5 h ALA 918 Ca 0.14 -0.62 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 3cv5 h ALA 918 Cb 0.47 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3cv5 h ALA 918 CO 0.02 0.72 0.06 1.25 0.00 0.00 0.00 179.25 181.31 3cv5 h HIS 919 N 0.41 0.39 -0.95 0.00 2.76 -0.96 -0.49 115.15 116.30 3cv5 h HIS 919 Ca -0.05 -0.04 0.03 0.00 -2.20 0.00 0.00 60.37 58.10 3cv5 h HIS 919 Cb 1.41 -0.11 -0.05 0.00 1.55 0.00 0.00 27.41 30.21 3cv5 h HIS 919 CO 0.07 0.46 0.63 0.87 -1.30 0.00 0.00 177.93 178.65 3cv5 h LYS 920 N 0.20 1.20 -0.73 5.26 1.57 -0.95 -1.22 116.57 121.90 3cv5 h LYS 920 Ca 0.07 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 3cv5 h LYS 920 Cb 0.26 -0.27 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 3cv5 h LYS 920 CO -0.00 0.79 0.22 0.00 -0.57 0.00 0.00 179.45 179.89 3cv5 h ALA 921 N 1.43 0.96 -0.52 3.86 0.00 -0.78 -0.87 119.26 123.34 3cv5 h ALA 921 Ca 0.37 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3cv5 h ALA 921 Cb -0.05 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 3cv5 h ALA 921 CO -0.10 0.65 0.29 1.03 0.00 0.00 0.00 179.25 181.12 3cv5 h SER 922 N 1.09 0.65 -0.22 0.00 0.87 -0.42 -2.40 113.55 113.11 3cv5 h SER 922 Ca 0.23 -0.09 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 3cv5 h SER 922 Cb 0.32 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.11 3cv5 h SER 922 CO -0.01 0.55 0.12 1.56 -0.53 0.00 0.00 176.83 178.52 3cv5 h GLN 923 N 0.70 0.35 0.00 2.24 4.20 -0.85 -0.95 115.11 120.80 3cv5 h GLN 923 Ca 0.18 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 58.83 3cv5 h GLN 923 Cb 0.04 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 3cv5 h GLN 923 CO -0.03 0.27 -0.17 1.03 -0.67 0.00 0.00 178.83 179.26 3cv5 h SER 924 N 0.35 0.00 0.07 1.46 0.87 -0.66 0.42 113.55 116.07 3cv5 h SER 924 Ca 0.09 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.36 3cv5 h SER 924 Cb 0.04 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 3cv5 h SER 924 CO -0.01 0.17 -1.56 -0.07 -0.53 0.00 0.00 176.83 174.84 3cv5 h LEU 925 N 0.00 0.23 0.08 2.23 3.38 -1.14 -3.35 115.31 116.74 3cv5 h LEU 925 Ca -0.00 -0.75 -0.28 0.00 0.09 0.00 0.00 57.88 56.94 3cv5 h LEU 925 Cb 0.55 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 3cv5 h LEU 925 CO 0.02 1.65 -1.40 -0.07 0.09 0.00 0.00 178.44 178.73 3cv5 h LEU 926 N -0.46 0.25 -5.89 1.67 3.38 -1.16 -3.40 115.31 109.70 3cv5 h LEU 926 Ca -0.37 -0.34 -0.53 0.00 0.09 0.00 0.00 57.88 56.74 3cv5 h LEU 926 Cb 1.67 -0.08 -0.40 0.00 0.09 0.00 0.00 40.66 41.93 3cv5 h LEU 926 CO -0.04 1.28 -1.02 0.47 0.09 0.00 0.00 178.44 179.22 3cv5 n ASP 927 N -3.38 1.62 -4.59 -0.43 8.00 0.13 -4.62 116.55 113.28 3cv5 n ASP 927 Ca -0.12 -3.10 -0.28 0.00 0.71 0.00 0.00 54.79 52.00 3cv5 n ASP 927 Cb 1.02 -0.62 0.21 0.00 -0.02 0.00 0.00 41.12 41.71 3cv5 n ASP 927 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 3cv5 s PRO 928 N -2.31 -0.22 0.38 -0.24 0.04 -1.24 -4.72 135.00 126.69 3cv5 s PRO 928 Ca 0.40 0.65 -0.27 0.00 0.04 0.00 0.00 61.00 61.82 3cv5 s PRO 928 Cb 0.27 -1.65 -0.11 0.00 0.04 0.00 0.00 34.50 33.05 3cv5 s PRO 928 CO -0.09 -3.20 1.35 1.28 0.04 0.00 0.00 177.00 176.38 3cv5 n LEU 929 N -4.53 4.15 -4.83 -3.56 4.77 -1.26 -4.75 117.00 107.00 3cv5 n LEU 929 Ca 0.04 1.18 -0.36 0.00 -0.03 0.00 0.00 56.01 56.84 3cv5 n LEU 929 Cb 0.56 -1.54 -0.06 0.00 -2.33 0.00 0.00 43.42 40.05 3cv5 n LEU 929 CO 0.57 -0.31 0.32 -1.81 -1.33 0.00 0.00 177.39 174.83 3cv5 s ASP 930 N -0.33 6.94 -0.07 -1.43 1.01 -0.24 -4.90 116.67 117.65 3cv5 s ASP 930 Ca 0.57 1.24 0.05 0.00 0.71 0.00 0.00 52.55 55.12 3cv5 s ASP 930 Cb -0.52 -2.35 -0.00 0.00 1.01 0.00 0.00 42.92 41.06 3cv5 s ASP 930 CO 0.61 0.08 -0.22 -0.54 0.21 0.00 0.00 175.17 175.32 3cv5 s LYS 931 N -1.91 2.42 -0.03 8.23 1.02 -1.26 -0.90 119.74 127.30 3cv5 s LYS 931 Ca 0.40 -0.78 0.05 0.00 0.02 0.00 0.00 55.97 55.66 3cv5 s LYS 931 Cb -0.16 -1.98 -0.01 0.00 -0.52 0.00 0.00 37.83 35.17 3cv5 s LYS 931 CO 0.20 0.26 -0.17 -0.06 -0.92 0.00 0.00 175.35 174.65 3cv5 s PHE 932 N 0.11 1.68 -0.19 3.18 0.40 0.33 -1.08 117.98 122.42 3cv5 s PHE 932 Ca -0.09 -0.43 -0.03 0.00 -0.60 0.00 0.00 56.93 55.78 3cv5 s PHE 932 Cb -0.15 -1.12 -0.01 0.00 0.51 0.00 0.00 43.02 42.25 3cv5 s PHE 932 CO 0.05 -0.12 -0.07 0.42 0.70 0.00 0.00 175.22 176.19 3cv5 s ILE 933 N -0.12 3.27 0.21 0.64 1.01 -0.05 -1.17 121.20 124.99 3cv5 s ILE 933 Ca -0.00 -0.55 -0.31 0.00 0.00 0.00 0.00 60.65 59.79 3cv5 s ILE 933 Cb -0.10 -2.45 -0.10 0.00 0.01 0.00 0.00 42.46 39.82 3cv5 s ILE 933 CO 0.01 0.46 1.56 0.12 0.00 0.00 0.00 174.94 177.09 3cv5 s PHE 934 N 1.04 2.98 0.01 3.97 5.36 -0.79 -1.53 117.98 129.01 3cv5 s PHE 934 Ca 0.00 0.73 -0.04 0.00 -0.96 0.00 0.00 56.93 56.66 3cv5 s PHE 934 Cb -0.15 -3.95 -0.28 0.00 -0.34 0.00 0.00 43.02 38.30 3cv5 s PHE 934 CO -0.01 -3.35 0.88 0.00 -1.46 0.00 0.00 175.22 171.28 3cv5 h ALA 935 N 5.99 0.23 -4.19 11.12 0.00 -1.12 -3.47 119.26 127.83 3cv5 h ALA 935 Ca -0.44 -1.08 -0.39 0.00 0.00 0.00 0.00 54.91 53.00 3cv5 h ALA 935 Cb 1.21 0.26 0.13 0.00 0.00 0.00 0.00 17.79 19.39 3cv5 h ALA 935 CO 0.86 1.10 0.29 0.39 0.00 0.00 0.00 179.25 181.90 3cv5 n GLU 936 N -3.48 -0.83 0.13 0.00 1.02 -1.26 -5.03 120.64 111.18 3cv5 n GLU 936 Ca -0.16 -1.96 -0.22 0.00 -0.02 0.00 0.00 57.16 54.79 3cv5 n GLU 936 Cb 1.05 -1.03 -0.14 0.00 -0.02 0.00 0.00 31.44 31.29 3cv5 n GLU 936 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 3cv5 h ASN 937 N -1.26 0.77 -3.53 1.62 2.35 -1.97 -3.46 115.58 110.09 3cv5 h ASN 937 Ca -0.35 -0.79 -0.46 0.00 -0.55 0.00 0.00 56.30 54.16 3cv5 h ASN 937 Cb 1.05 -0.25 -0.33 0.00 0.05 0.00 0.00 38.32 38.84 3cv5 h ASN 937 CO 0.28 1.61 -0.79 -0.70 -1.65 0.00 0.00 177.43 176.17 3cv5 s GLU 938 N -2.72 1.21 -0.55 0.81 2.12 -1.26 -4.96 118.70 113.35 3cv5 s GLU 938 Ca -0.08 -0.28 -0.12 0.00 0.36 0.00 0.00 54.97 54.85 3cv5 s GLU 938 Cb 0.05 -1.08 0.14 0.00 0.26 0.00 0.00 34.13 33.50 3cv5 s GLU 938 CO 0.93 0.01 0.46 -0.46 -0.54 0.00 0.00 175.26 175.66 3cv5 s TRP 939 N 0.63 3.39 0.04 5.30 -0.00 -1.26 -5.06 118.94 121.98 3cv5 s TRP 939 Ca -0.11 -1.68 -0.30 0.00 -0.00 0.00 0.00 56.10 54.01 3cv5 s TRP 939 Cb -0.14 -3.65 -0.04 0.00 -0.00 0.00 0.00 33.47 29.64 3cv5 s TRP 939 CO 0.02 -1.00 1.04 0.42 -0.00 0.00 0.00 176.95 177.42 3cv5 s ILE 940 N 1.27 4.57 -0.03 5.86 1.01 -1.26 -3.33 121.20 129.29 3cv5 s ILE 940 Ca 0.06 1.89 0.00 0.00 0.00 0.00 0.00 60.65 62.61 3cv5 s ILE 940 Cb -0.26 -4.21 0.00 0.00 0.01 0.00 0.00 42.46 38.00 3cv5 s ILE 940 CO -0.00 0.17 0.00 0.61 0.00 0.00 0.00 174.94 175.72 3cv5 n GLY 941 N 2.85 0.45 3.74 6.18 0.00 -1.26 -4.81 105.19 112.33 3cv5 n GLY 941 Ca 0.06 -0.60 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 3cv5 n GLY 941 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cv5 n ALA 942 N 1.00 1.85 -2.47 4.61 0.00 -1.21 -1.18 120.51 123.11 3cv5 n ALA 942 Ca -0.00 0.35 -0.26 0.00 0.00 0.00 0.00 53.44 53.53 3cv5 n ALA 942 Cb 0.01 -2.34 -0.11 0.00 0.00 0.00 0.00 19.45 17.02 3cv5 n ALA 942 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3cv5 s GLN 943 N -1.92 1.67 0.27 0.00 -0.21 0.55 -4.90 119.66 115.13 3cv5 s GLN 943 Ca 0.55 -1.56 0.21 0.00 0.02 0.00 0.00 55.36 54.58 3cv5 s GLN 943 Cb -0.52 -1.88 0.10 0.00 1.00 0.00 0.00 33.01 31.71 3cv5 s GLN 943 CO 0.62 0.38 1.25 0.78 -2.12 0.00 0.00 175.29 176.20 3cv5 h GLY 944 N 2.82 0.00 -4.22 3.09 0.00 -1.92 -3.43 103.07 99.41 3cv5 h GLY 944 Ca -0.44 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 3cv5 h GLY 944 CO 0.53 0.00 0.23 1.62 0.00 0.00 0.00 176.54 178.92 3cv5 s GLN 945 N -3.21 0.96 -0.01 4.80 0.74 -1.26 -1.18 119.66 120.50 3cv5 s GLN 945 Ca 0.02 0.35 0.03 0.00 0.05 0.00 0.00 55.36 55.81 3cv5 s GLN 945 Cb 0.08 0.46 -0.01 0.00 1.10 0.00 0.00 33.01 34.64 3cv5 s GLN 945 CO 0.75 -0.28 -0.10 0.12 -0.55 0.00 0.00 175.29 175.23 3cv5 s PHE 946 N -0.94 0.93 0.00 1.67 5.36 -0.51 -4.88 117.98 119.61 3cv5 s PHE 946 Ca -0.08 -0.19 0.00 0.00 -0.96 0.00 0.00 56.93 55.70 3cv5 s PHE 946 Cb -0.01 -0.61 0.00 0.00 -0.34 0.00 0.00 43.02 42.06 3cv5 s PHE 946 CO 0.07 -0.03 0.00 0.41 -1.46 0.00 0.00 175.22 174.21 3cv5 n GLY 947 N 2.93 0.71 0.33 13.12 0.00 -1.26 -1.19 105.19 119.83 3cv5 n GLY 947 Ca -0.15 -0.10 0.21 0.00 0.00 0.00 0.00 46.02 45.98 3cv5 n GLY 947 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3cv5 h GLY 948 N 0.00 0.00 -2.06 -0.02 0.00 -1.89 -0.87 103.07 98.23 3cv5 h GLY 948 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3cv5 h GLY 948 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 176.54 178.63 3cv5 n ASP 949 N -3.19 3.13 -4.76 0.19 5.75 -1.26 -4.95 116.55 111.47 3cv5 n ASP 949 Ca -0.03 -1.95 -0.41 0.00 -0.01 0.00 0.00 54.79 52.40 3cv5 n ASP 949 Cb 0.10 -0.27 -0.03 0.00 -1.03 0.00 0.00 41.12 39.89 3cv5 n ASP 949 CO 0.00 0.00 0.00 -1.00 -0.11 0.00 0.00 177.20 176.09 3cv5 s HIS 950 N -1.46 3.25 0.39 2.11 3.76 -0.33 -4.98 115.29 118.02 3cv5 s HIS 950 Ca 0.39 1.41 -0.28 0.00 -0.15 0.00 0.00 55.06 56.43 3cv5 s HIS 950 Cb 0.22 -3.56 -0.11 0.00 1.11 0.00 0.00 32.58 30.24 3cv5 s HIS 950 CO 0.30 -1.56 1.47 -2.14 -0.85 0.00 0.00 174.74 171.96 3cv5 s PRO 951 N -1.12 4.06 -0.59 8.40 0.02 -1.26 -4.72 135.00 139.79 3cv5 s PRO 951 Ca 0.51 2.54 -0.16 0.00 0.02 0.00 0.00 61.00 63.91 3cv5 s PRO 951 Cb -0.37 -2.93 0.14 0.00 0.02 0.00 0.00 34.50 31.37 3cv5 s PRO 951 CO 0.45 -0.56 0.55 0.45 -0.33 0.00 0.00 177.00 177.56 3cv5 s SER 952 N -0.21 6.28 0.63 2.53 0.15 -1.26 -4.65 113.70 117.17 3cv5 s SER 952 Ca 0.54 -1.92 -0.14 0.00 0.70 0.00 0.00 55.95 55.13 3cv5 s SER 952 Cb -0.46 -2.21 -0.02 0.00 -1.71 0.00 0.00 66.02 61.62 3cv5 s SER 952 CO 0.62 -0.82 1.06 0.00 1.20 0.00 0.00 173.24 175.30 3cv5 s ALA 953 N 1.42 2.68 0.38 5.45 0.00 0.15 -1.86 121.76 129.98 3cv5 s ALA 953 Ca 0.06 0.32 -0.25 0.00 0.00 0.00 0.00 51.96 52.09 3cv5 s ALA 953 Cb -0.27 -3.23 -0.12 0.00 0.00 0.00 0.00 23.12 19.51 3cv5 s ALA 953 CO 0.01 -1.00 0.87 -2.13 0.00 0.00 0.00 175.76 173.51 3cv5 n ARG 954 N -2.42 1.09 0.28 0.00 0.63 -1.26 -4.71 116.66 110.27 3cv5 n ARG 954 Ca 0.09 0.39 0.18 0.00 -0.92 0.00 0.00 57.85 57.58 3cv5 n ARG 954 Cb 0.53 -1.82 0.95 0.00 0.45 0.00 0.00 32.46 32.57 3cv5 n ARG 954 CO 0.00 0.00 0.00 1.05 -2.51 0.00 0.00 177.63 176.17 3cv5 h GLU 955 N 1.42 0.00 -0.01 -0.14 4.11 -1.96 -1.03 114.58 116.98 3cv5 h GLU 955 Ca -0.42 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.01 3cv5 h GLU 955 Cb 1.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.61 3cv5 h GLU 955 CO 0.56 0.00 -0.13 -0.40 0.07 0.00 0.00 179.01 179.11 3cv5 n ASP 956 N -3.58 0.66 -4.78 3.06 5.75 -1.26 -4.85 116.55 111.55 3cv5 n ASP 956 Ca -0.01 -0.72 -0.37 0.00 -0.01 0.00 0.00 54.79 53.68 3cv5 n ASP 956 Cb 0.19 -0.02 -0.07 0.00 -1.03 0.00 0.00 41.12 40.19 3cv5 n ASP 956 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 3cv5 s LEU 957 N -2.44 4.31 0.06 -2.12 2.96 -0.39 -1.16 118.68 119.90 3cv5 s LEU 957 Ca 0.29 0.52 0.06 0.00 -0.22 0.00 0.00 54.13 54.78 3cv5 s LEU 957 Cb 0.20 -2.29 -0.03 0.00 0.50 0.00 0.00 46.19 44.57 3cv5 s LEU 957 CO 0.47 0.22 -0.17 -0.62 -1.32 0.00 0.00 176.35 174.93 3cv5 s ASP 958 N -0.13 2.08 -0.87 3.68 2.15 0.25 -4.76 116.67 119.07 3cv5 s ASP 958 Ca 0.16 -0.57 -0.16 0.00 0.43 0.00 0.00 52.55 52.41 3cv5 s ASP 958 Cb -0.13 -0.12 0.18 0.00 -0.30 0.00 0.00 42.92 42.54 3cv5 s ASP 958 CO 0.04 0.04 0.93 -0.69 -0.17 0.00 0.00 175.17 175.33 3cv5 s VAL 959 N -1.02 5.20 0.28 1.11 1.01 -1.26 -1.44 120.40 124.29 3cv5 s VAL 959 Ca 0.03 -2.05 0.00 0.00 0.00 0.00 0.00 61.98 59.97 3cv5 s VAL 959 Cb -0.09 -4.61 0.12 0.00 0.00 0.00 0.00 36.38 31.79 3cv5 s VAL 959 CO 0.02 -1.25 1.78 0.28 0.00 0.00 0.00 175.10 175.94 3cv5 h SER 960 N 8.28 0.65 -3.61 3.32 0.02 -1.04 -3.43 113.55 117.75 3cv5 h SER 960 Ca 0.13 -0.16 -0.31 0.00 -0.84 0.00 0.00 61.79 60.61 3cv5 h SER 960 Cb 1.03 -0.17 -0.32 0.00 0.14 0.00 0.00 62.40 63.08 3cv5 h SER 960 CO 0.92 0.75 -0.74 -0.69 -1.14 0.00 0.00 176.83 175.92 3cv5 s VAL 961 N -4.91 0.15 -0.13 2.27 1.01 -1.15 -4.96 120.40 112.68 3cv5 s VAL 961 Ca -0.09 0.04 -0.00 0.00 0.00 0.00 0.00 61.98 61.93 3cv5 s VAL 961 Cb 0.15 -0.21 0.03 0.00 0.00 0.00 0.00 36.38 36.35 3cv5 s VAL 961 CO 0.80 0.11 -0.07 -0.32 0.00 0.00 0.00 175.10 175.61 3cv5 s MET 962 N 0.65 1.54 -0.05 2.72 0.00 -1.26 -1.15 119.30 121.76 3cv5 s MET 962 Ca -0.06 -0.33 -0.02 0.00 0.00 0.00 0.00 55.69 55.28 3cv5 s MET 962 Cb -0.09 -1.71 0.03 0.00 0.00 0.00 0.00 34.83 33.06 3cv5 s MET 962 CO -0.01 -0.30 0.08 0.50 0.00 0.00 0.00 175.02 175.28 3cv5 s ARG 963 N 1.68 -0.05 0.15 4.11 3.52 0.14 -3.38 118.95 125.12 3cv5 s ARG 963 Ca 0.04 0.40 -0.31 0.00 -0.13 0.00 0.00 55.73 55.74 3cv5 s ARG 963 Cb -0.13 -0.43 -0.08 0.00 -1.56 0.00 0.00 34.95 32.74 3cv5 s ARG 963 CO -0.08 -0.31 1.34 0.50 -0.81 0.00 0.00 175.30 175.94 3cv5 s ARG 964 N 2.09 4.36 0.00 5.12 3.52 -1.26 -0.30 118.95 132.48 3cv5 s ARG 964 Ca 0.03 2.05 0.17 0.00 -0.13 0.00 0.00 55.73 57.85 3cv5 s ARG 964 Cb -0.12 -3.23 -0.15 0.00 -1.56 0.00 0.00 34.95 29.89 3cv5 s ARG 964 CO -0.04 -0.35 0.76 1.28 -0.81 0.00 0.00 175.30 176.15 3cv5 n LEU 965 N 3.39 0.99 -4.40 -0.88 4.77 0.57 -4.91 117.00 116.54 3cv5 n LEU 965 Ca 0.09 -0.55 -0.30 0.00 -0.03 0.00 0.00 56.01 55.22 3cv5 n LEU 965 Cb 0.43 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.38 3cv5 n LEU 965 CO 0.58 0.23 -0.54 0.42 -1.33 0.00 0.00 177.39 176.75 3cv5 s THR 966 N -2.50 2.41 0.87 -5.08 -4.23 -1.22 -4.95 115.64 100.94 3cv5 s THR 966 Ca 0.08 -1.40 -0.12 0.00 -1.18 0.00 0.00 61.69 59.07 3cv5 s THR 966 Cb 0.13 -2.00 0.12 0.00 1.34 0.00 0.00 72.50 72.09 3cv5 s THR 966 CO 0.65 0.29 1.15 -0.54 -0.54 0.00 0.00 174.62 175.63 3cv5 s LYS 967 N -1.50 1.45 0.53 3.99 1.02 -1.26 -4.88 119.74 119.10 3cv5 s LYS 967 Ca 0.13 0.27 0.34 0.00 0.02 0.00 0.00 55.97 56.73 3cv5 s LYS 967 Cb -0.10 -1.88 1.47 0.00 -0.52 0.00 0.00 37.83 36.80 3cv5 s LYS 967 CO 0.04 -1.98 2.00 0.66 -0.92 0.00 0.00 175.35 175.15 3cv5 h SER 968 N -1.34 0.00 1.07 2.83 4.64 -1.98 -2.59 113.55 116.18 3cv5 h SER 968 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3cv5 h SER 968 Cb 1.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.42 3cv5 h SER 968 CO 0.63 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 175.05 3cv5 n SER 969 N -2.98 0.35 -4.68 4.97 3.41 -1.26 -4.79 113.62 108.63 3cv5 n SER 969 Ca 0.00 0.54 -0.42 0.00 -0.26 0.00 0.00 58.87 58.73 3cv5 n SER 969 Cb 0.26 -0.63 -0.03 0.00 -0.26 0.00 0.00 64.21 63.55 3cv5 n SER 969 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3cv5 s ALA 970 N -3.07 3.57 0.19 7.33 0.00 -0.98 -4.94 121.76 123.87 3cv5 s ALA 970 Ca 0.11 0.76 -0.11 0.00 0.00 0.00 0.00 51.96 52.72 3cv5 s ALA 970 Cb 0.14 -3.59 0.18 0.00 0.00 0.00 0.00 23.12 19.86 3cv5 s ALA 970 CO 0.50 -0.95 1.79 -0.22 0.00 0.00 0.00 175.76 176.89 3cv5 h LYS 971 N 7.91 0.56 -4.59 0.00 3.64 -1.91 -3.36 116.57 118.82 3cv5 h LYS 971 Ca -0.35 -0.03 -0.71 0.00 -1.27 0.00 0.00 60.65 58.29 3cv5 h LYS 971 Cb 1.16 -0.13 -0.23 0.00 -0.41 0.00 0.00 32.23 32.63 3cv5 h LYS 971 CO 0.91 0.37 -0.50 0.99 -2.27 0.00 0.00 179.45 178.96 3cv5 s THR 972 N -6.12 4.78 0.33 1.00 2.01 -1.26 -4.73 115.64 111.66 3cv5 s THR 972 Ca -0.13 -0.74 -0.26 0.00 0.31 0.00 0.00 61.69 60.87 3cv5 s THR 972 Cb 0.15 -3.64 -0.09 0.00 0.01 0.00 0.00 72.50 68.93 3cv5 s THR 972 CO 0.75 -0.22 1.00 -1.10 -0.69 0.00 0.00 174.62 174.36 3cv5 s GLN 973 N 1.60 4.50 -0.02 4.92 -1.52 -0.52 -4.84 119.66 123.77 3cv5 s GLN 973 Ca 0.03 1.48 0.03 0.00 -1.95 0.00 0.00 55.36 54.95 3cv5 s GLN 973 Cb -0.19 -2.84 -0.00 0.00 -0.22 0.00 0.00 33.01 29.76 3cv5 s GLN 973 CO 0.08 0.17 -0.11 1.03 -0.25 0.00 0.00 175.29 176.21 3cv5 s ARG 974 N -1.98 1.08 -0.08 2.91 0.52 -1.26 -0.61 118.95 119.52 3cv5 s ARG 974 Ca 0.50 -0.38 0.02 0.00 -0.52 0.00 0.00 55.73 55.35 3cv5 s ARG 974 Cb -0.23 -1.00 0.01 0.00 0.52 0.00 0.00 34.95 34.26 3cv5 s ARG 974 CO 0.29 0.17 -0.12 0.08 0.02 0.00 0.00 175.30 175.74 3cv5 s VAL 975 N 0.04 1.19 -0.11 3.52 1.01 -0.25 -0.31 120.40 125.49 3cv5 s VAL 975 Ca -0.01 -0.48 -0.06 0.00 0.00 0.00 0.00 61.98 61.43 3cv5 s VAL 975 Cb -0.08 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.16 3cv5 s VAL 975 CO 0.00 0.37 0.12 -0.83 0.00 0.00 0.00 175.10 174.77 3cv5 s GLY 976 N 0.87 2.11 -0.03 4.51 0.00 0.60 -0.81 107.32 114.57 3cv5 s GLY 976 Ca -0.10 -0.68 0.03 0.00 0.00 0.00 0.00 44.72 43.97 3cv5 s GLY 976 CO 0.01 -0.43 -0.13 -0.19 0.00 0.00 0.00 173.10 172.36 3cv5 s TYR 977 N -1.03 1.28 -0.20 1.90 1.51 0.25 -0.68 117.35 120.37 3cv5 s TYR 977 Ca 0.16 -0.34 -0.05 0.00 -1.01 0.00 0.00 57.07 55.82 3cv5 s TYR 977 Cb -0.12 -0.88 -0.03 0.00 -0.11 0.00 0.00 41.96 40.83 3cv5 s TYR 977 CO 0.05 -0.12 0.01 0.08 -1.11 0.00 0.00 175.55 174.45 3cv5 s VAL 978 N 0.11 4.02 -0.19 0.71 1.01 -0.30 -0.77 120.40 124.99 3cv5 s VAL 978 Ca -0.03 -0.29 -0.03 0.00 0.00 0.00 0.00 61.98 61.63 3cv5 s VAL 978 Cb -0.10 -2.82 -0.01 0.00 0.00 0.00 0.00 36.38 33.45 3cv5 s VAL 978 CO 0.01 0.42 -0.05 -0.76 0.00 0.00 0.00 175.10 174.72 3cv5 s LEU 979 N 1.03 2.96 -0.10 3.92 1.43 0.38 -0.33 118.68 127.98 3cv5 s LEU 979 Ca 0.02 -0.32 0.04 0.00 -1.03 0.00 0.00 54.13 52.84 3cv5 s LEU 979 Cb -0.14 -1.73 0.00 0.00 0.03 0.00 0.00 46.19 44.34 3cv5 s LEU 979 CO 0.02 0.05 -0.23 -2.28 0.23 0.00 0.00 176.35 174.14 3cv5 s HIS 980 N 1.07 2.47 -0.18 0.29 5.65 -0.52 -1.23 115.29 122.83 3cv5 s HIS 980 Ca 0.01 -1.00 -0.03 0.00 0.25 0.00 0.00 55.06 54.29 3cv5 s HIS 980 Cb -0.15 -1.65 -0.02 0.00 -1.18 0.00 0.00 32.58 29.58 3cv5 s HIS 980 CO -0.00 -0.40 -0.06 0.50 -0.65 0.00 0.00 174.74 174.12 3cv5 s ARG 981 N 0.36 3.46 0.03 2.88 3.52 -0.71 -0.58 118.95 127.91 3cv5 s ARG 981 Ca -0.18 -0.61 -0.00 0.00 -0.13 0.00 0.00 55.73 54.80 3cv5 s ARG 981 Cb -0.18 -2.89 0.01 0.00 -1.56 0.00 0.00 34.95 30.33 3cv5 s ARG 981 CO 0.08 0.02 0.05 -2.37 -0.81 0.00 0.00 175.30 172.27 3cv5 n THR 982 N 4.15 0.00 -3.86 4.11 5.66 -0.31 -0.19 114.28 123.84 3cv5 n THR 982 Ca -0.18 -0.05 -0.26 0.00 -3.05 0.00 0.00 64.05 60.51 3cv5 n THR 982 Cb 0.52 -1.70 -0.17 0.00 -1.55 0.00 0.00 70.33 67.43 3cv5 n THR 982 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 175.07 172.23 3cv5 s ASN 983 N -1.18 2.09 0.03 1.09 2.47 -1.26 -3.70 114.94 114.48 3cv5 s ASN 983 Ca 0.03 -0.29 0.03 0.00 0.42 0.00 0.00 52.86 53.04 3cv5 s ASN 983 Cb -0.00 -0.72 -0.04 0.00 -1.45 0.00 0.00 41.25 39.04 3cv5 s ASN 983 CO 0.02 -0.15 -0.00 -0.76 -3.72 0.00 0.00 177.10 172.48 3cv5 s LEU 984 N 1.79 3.48 0.38 3.21 1.43 -1.26 -4.23 118.68 123.47 3cv5 s LEU 984 Ca 0.04 -0.07 -0.28 0.00 -1.03 0.00 0.00 54.13 52.80 3cv5 s LEU 984 Cb -0.13 -2.07 -0.11 0.00 0.03 0.00 0.00 46.19 43.92 3cv5 s LEU 984 CO -0.07 0.25 1.45 -0.04 0.23 0.00 0.00 176.35 178.17 3cv5 s MET 985 N -1.79 4.09 -0.34 1.70 -1.94 -0.37 -4.98 119.30 115.67 3cv5 s MET 985 Ca 0.21 2.50 -0.23 0.00 -1.71 0.00 0.00 55.69 56.46 3cv5 s MET 985 Cb -0.12 -2.94 0.01 0.00 2.01 0.00 0.00 34.83 33.79 3cv5 s MET 985 CO 0.13 -0.52 0.78 -0.65 -0.01 0.00 0.00 175.02 174.75 3cv5 s GLN 986 N -2.10 3.84 -0.07 2.03 -1.52 -1.26 -4.67 119.66 115.91 3cv5 s GLN 986 Ca 0.53 0.42 0.10 0.00 -1.95 0.00 0.00 55.36 54.46 3cv5 s GLN 986 Cb -0.45 -3.78 0.15 0.00 -0.22 0.00 0.00 33.01 28.71 3cv5 s GLN 986 CO 0.61 -0.78 1.03 0.00 -0.25 0.00 0.00 175.29 175.91 3cv5 n GLY 988 N -0.81 0.64 3.65 0.00 0.00 -1.26 -4.66 105.19 102.75 3cv5 n GLY 988 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 3cv5 n GLY 988 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cv5 s THR 989 N -2.17 4.88 0.47 2.61 2.01 -1.26 -4.94 115.64 117.23 3cv5 s THR 989 Ca 0.00 1.50 0.19 0.00 0.31 0.00 0.00 61.69 63.69 3cv5 s THR 989 Cb 0.00 -4.09 0.36 0.00 0.01 0.00 0.00 72.50 68.79 3cv5 s THR 989 CO 0.00 -0.03 1.96 -0.65 -0.69 0.00 0.00 174.62 175.22 3cv5 h PRO 990 N 7.62 0.25 0.00 4.92 0.11 -2.05 -3.47 132.00 139.38 3cv5 h PRO 990 Ca -0.25 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3cv5 h PRO 990 Cb 1.11 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3cv5 h PRO 990 CO 0.85 0.17 0.00 0.39 -0.21 0.00 0.00 178.00 179.19 3cv5 n GLU 991 N -4.44 0.00 0.00 1.05 1.02 -1.26 -4.96 120.64 112.05 3cv5 n GLU 991 Ca 0.11 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 3cv5 n GLU 991 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.93 3cv5 n GLU 991 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 3cv5 n GLU 992 N 1.23 3.65 0.00 3.49 -0.58 -1.26 -5.02 120.64 122.15 3cv5 n GLU 992 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3cv5 n GLU 992 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3cv5 n GLU 992 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 3cv5 n HIS 993 N 0.00 0.00 -4.53 -0.32 1.44 -1.26 -4.99 115.22 105.55 3cv5 n HIS 993 Ca 0.00 0.00 -0.25 0.00 -2.01 0.00 0.00 57.72 55.46 3cv5 n HIS 993 Cb 0.00 0.00 -0.09 0.00 0.12 0.00 0.00 29.99 30.02 3cv5 n HIS 993 CO 0.00 0.00 0.00 0.95 -2.81 0.00 0.00 176.34 174.48 3cv5 s THR 994 N 0.00 1.04 0.06 0.61 -4.23 -1.26 -5.07 115.64 106.79 3cv5 s THR 994 Ca 0.00 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.54 3cv5 s THR 994 Cb 0.00 -2.56 -0.04 0.00 1.34 0.00 0.00 72.50 71.24 3cv5 s THR 994 CO 0.00 0.00 0.06 -1.10 -0.54 0.00 0.00 174.62 173.04 3cv5 s GLN 995 N -3.81 2.83 0.23 3.99 -0.21 -0.78 -4.97 119.66 116.95 3cv5 s GLN 995 Ca 0.27 -0.69 -0.31 0.00 0.02 0.00 0.00 55.36 54.66 3cv5 s GLN 995 Cb 0.06 -2.70 -0.11 0.00 1.00 0.00 0.00 33.01 31.25 3cv5 s GLN 995 CO 0.14 0.58 1.62 0.21 -2.12 0.00 0.00 175.29 175.71 3cv5 s LYS 996 N -2.23 4.15 -0.32 2.91 2.20 -1.26 -4.14 119.74 121.06 3cv5 s LYS 996 Ca 0.27 2.52 -0.11 0.00 -0.36 0.00 0.00 55.97 58.29 3cv5 s LYS 996 Cb -0.12 -3.07 -0.02 0.00 -1.51 0.00 0.00 37.83 33.11 3cv5 s LYS 996 CO 0.19 -0.65 0.20 -1.17 -0.36 0.00 0.00 175.35 173.56 3cv5 s LEU 997 N 0.43 4.28 -0.44 5.43 2.96 -1.26 -4.87 118.68 125.21 3cv5 s LEU 997 Ca 0.68 -0.37 -0.05 0.00 -0.22 0.00 0.00 54.13 54.17 3cv5 s LEU 997 Cb -0.47 -2.09 0.12 0.00 0.50 0.00 0.00 46.19 44.24 3cv5 s LEU 997 CO 0.39 -0.18 0.26 -0.62 -1.32 0.00 0.00 176.35 174.87 3cv5 s ASP 998 N 1.69 5.39 0.59 3.68 2.15 -1.26 -4.55 116.67 124.36 3cv5 s ASP 998 Ca 0.06 -2.03 0.33 0.00 0.43 0.00 0.00 52.55 51.34 3cv5 s ASP 998 Cb -0.17 -1.88 1.84 0.00 -0.30 0.00 0.00 42.92 42.41 3cv5 s ASP 998 CO 0.09 -0.58 2.22 -0.37 -0.17 0.00 0.00 175.17 176.35 3cv5 h VAL 999 N 6.25 0.38 0.00 1.11 -1.51 -1.95 -2.49 116.25 118.04 3cv5 h VAL 999 Ca -0.15 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 65.13 3cv5 h VAL 999 Cb 1.05 1.14 0.00 0.00 -2.13 0.00 0.00 31.29 31.35 3cv5 h VAL 999 CO 0.75 0.04 0.00 0.00 -1.23 0.00 0.00 177.57 177.12 3cv5 n HIS 1001N -2.76 1.10 0.17 0.00 8.25 -0.94 -4.50 115.22 116.55 3cv5 n HIS 1001Ca 0.02 -0.54 0.02 0.00 -0.26 0.00 0.00 57.72 56.97 3cv5 n HIS 1001Cb 0.35 -0.08 0.31 0.00 1.12 0.00 0.00 29.99 31.70 3cv5 n HIS 1001CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3cv5 h LEU 1002N 4.05 0.00 -9.33 2.41 3.38 -1.48 -3.43 115.31 110.92 3cv5 h LEU 1002Ca 0.00 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.31 3cv5 h LEU 1002Cb 1.12 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.73 3cv5 h LEU 1002CO 0.07 0.44 -0.69 -0.76 0.09 0.00 0.00 178.44 177.59 3cv5 s LEU 1003N -7.89 3.26 0.81 1.67 1.43 -1.26 -5.13 118.68 111.58 3cv5 s LEU 1003Ca -0.02 -0.21 -0.11 0.00 -1.03 0.00 0.00 54.13 52.75 3cv5 s LEU 1003Cb 0.14 -1.97 0.08 0.00 0.03 0.00 0.00 46.19 44.46 3cv5 s LEU 1003CO 0.73 0.21 1.10 -2.16 0.23 0.00 0.00 176.35 176.46 3cv5 s PRO 1004N -1.97 1.97 -1.18 1.29 0.04 -1.26 -4.31 135.00 129.57 3cv5 s PRO 1004Ca 0.22 0.67 -0.07 0.00 0.04 0.00 0.00 61.00 61.86 3cv5 s PRO 1004Cb -0.11 -1.90 0.01 0.00 0.04 0.00 0.00 34.50 32.53 3cv5 s PRO 1004CO 0.13 -1.71 0.93 0.09 0.04 0.00 0.00 177.00 176.49 3cv5 n ASN 1005N -3.50 -5.70 -4.72 6.66 5.03 -1.26 -4.80 115.26 106.97 3cv5 n ASN 1005Ca 0.07 -0.43 -0.42 0.00 0.87 0.00 0.00 54.58 54.68 3cv5 n ASN 1005Cb 0.56 -4.35 -0.03 0.00 -1.02 0.00 0.00 39.78 34.95 3cv5 n ASN 1005CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3cv5 s VAL 1006N -3.24 2.85 -0.01 2.41 0.11 -1.26 -2.06 120.40 119.19 3cv5 s VAL 1006Ca 0.46 0.62 0.07 0.00 -2.93 0.00 0.00 61.98 60.21 3cv5 s VAL 1006Cb -0.20 -3.40 -0.11 0.00 -1.53 0.00 0.00 36.38 31.13 3cv5 s VAL 1006CO 0.57 0.06 0.15 0.00 -3.33 0.00 0.00 175.10 172.55 3cv5 n ALA 1007N 3.67 2.25 -3.57 1.54 0.00 0.66 -4.92 120.51 120.15 3cv5 n ALA 1007Ca 0.12 -0.20 -0.14 0.00 0.00 0.00 0.00 53.44 53.22 3cv5 n ALA 1007Cb 0.40 -0.23 -0.06 0.00 0.00 0.00 0.00 19.45 19.56 3cv5 n ALA 1007CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3cv5 s ARG 1008N -2.49 0.82 -0.07 0.00 3.52 -1.18 -4.98 118.95 114.57 3cv5 s ARG 1008Ca -0.03 0.36 0.00 0.00 -0.13 0.00 0.00 55.73 55.94 3cv5 s ARG 1008Cb 0.05 0.39 0.02 0.00 -1.56 0.00 0.00 34.95 33.85 3cv5 s ARG 1008CO 0.31 -0.22 -0.05 0.00 -0.81 0.00 0.00 175.30 174.52 3cv5 s GLU 1010N 1.23 1.35 0.05 0.00 2.02 -0.45 -1.04 118.70 121.87 3cv5 s GLU 1010Ca -0.06 -0.58 -0.28 0.00 0.02 0.00 0.00 54.97 54.07 3cv5 s GLU 1010Cb -0.14 -1.30 -0.05 0.00 0.10 0.00 0.00 34.13 32.74 3cv5 s GLU 1010CO -0.02 0.34 0.87 0.50 0.02 0.00 0.00 175.26 176.97 3cv5 s ARG 1011N -0.35 4.58 0.34 1.61 3.52 0.01 -0.48 118.95 128.18 3cv5 s ARG 1011Ca 0.06 1.25 0.05 0.00 -0.13 0.00 0.00 55.73 56.96 3cv5 s ARG 1011Cb -0.07 -3.39 -0.07 0.00 -1.56 0.00 0.00 34.95 29.87 3cv5 s ARG 1011CO -0.00 0.19 0.04 0.95 -0.81 0.00 0.00 175.30 175.66 3cv5 s THR 1012N 0.19 1.44 1.00 4.11 -4.23 -0.16 0.14 115.64 118.13 3cv5 s THR 1012Ca 0.44 -2.01 -0.11 0.00 -1.18 0.00 0.00 61.69 58.83 3cv5 s THR 1012Cb -0.21 -2.83 0.18 0.00 1.34 0.00 0.00 72.50 70.98 3cv5 s THR 1012CO 0.26 -0.02 1.01 0.35 -0.54 0.00 0.00 174.62 175.68 3cv5 n THR 1013N -0.76 0.00 0.29 3.99 -2.24 -0.70 -3.92 114.28 110.95 3cv5 n THR 1013Ca -0.03 -0.16 0.18 0.00 -2.27 0.00 0.00 64.05 61.77 3cv5 n THR 1013Cb 0.66 -0.95 0.87 0.00 -2.10 0.00 0.00 70.33 68.81 3cv5 n THR 1013CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3cv5 h LEU 1014N -2.12 0.00 -0.37 3.22 3.38 -1.74 -0.15 115.31 117.53 3cv5 h LEU 1014Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3cv5 h LEU 1014Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 3cv5 h LEU 1014CO 0.43 0.04 -0.08 0.35 0.09 0.00 0.00 178.44 179.27 3cv5 n THR 1015N -3.25 0.00 -0.91 0.22 -2.24 -1.26 -4.94 114.28 101.90 3cv5 n THR 1015Ca -0.01 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 3cv5 n THR 1015Cb 0.21 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.45 3cv5 n THR 1015CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3cv5 n PHE 1016N -0.69 0.00 0.62 4.78 3.72 -0.07 -4.91 117.46 120.91 3cv5 n PHE 1016Ca 0.17 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.69 3cv5 n PHE 1016Cb 0.27 -0.78 0.20 0.00 -0.94 0.00 0.00 39.48 38.23 3cv5 n PHE 1016CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3cv5 n LEU 1017N 0.00 0.67 -3.90 4.37 4.77 -1.26 -4.79 117.00 116.86 3cv5 n LEU 1017Ca 0.00 0.24 -0.20 0.00 -0.03 0.00 0.00 56.01 56.02 3cv5 n LEU 1017Cb 0.13 -0.20 -0.16 0.00 -2.33 0.00 0.00 43.42 40.85 3cv5 n LEU 1017CO 0.00 -0.05 -0.41 -1.58 -1.33 0.00 0.00 177.39 174.03 3cv5 s GLN 1018N -3.14 0.80 -0.04 3.23 0.74 -1.26 -5.02 119.66 114.96 3cv5 s GLN 1018Ca 0.07 -0.11 -0.30 0.00 0.05 0.00 0.00 55.36 55.07 3cv5 s GLN 1018Cb 0.14 -0.80 -0.03 0.00 1.10 0.00 0.00 33.01 33.42 3cv5 s GLN 1018CO 0.71 -0.06 1.05 -0.80 -0.55 0.00 0.00 175.29 175.63 3cv5 s ASN 1019N 0.83 7.24 -0.07 6.67 0.01 -1.26 -1.72 114.94 126.64 3cv5 s ASN 1019Ca -0.11 1.68 0.12 0.00 -0.71 0.00 0.00 52.86 53.83 3cv5 s ASN 1019Cb -0.14 -2.56 -0.17 0.00 0.41 0.00 0.00 41.25 38.79 3cv5 s ASN 1019CO 0.00 -0.40 0.16 0.18 -1.51 0.00 0.00 177.10 175.53 3cv5 n LEU 1020N 4.51 0.00 -3.64 0.60 4.77 0.12 -4.96 117.00 118.39 3cv5 n LEU 1020Ca 0.08 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.97 3cv5 n LEU 1020Cb 0.49 0.14 -0.07 0.00 -2.33 0.00 0.00 43.42 41.65 3cv5 n LEU 1020CO 0.53 0.14 0.33 -0.70 -1.33 0.00 0.00 177.39 176.37 3cv5 s GLU 1021N -2.59 0.70 -0.18 3.23 2.12 -0.97 -4.96 118.70 116.05 3cv5 s GLU 1021Ca -0.05 1.14 -0.18 0.00 0.36 0.00 0.00 54.97 56.24 3cv5 s GLU 1021Cb 0.06 0.18 -0.04 0.00 0.26 0.00 0.00 34.13 34.59 3cv5 s GLU 1021CO 0.50 -0.14 0.48 -1.58 -0.54 0.00 0.00 175.26 173.98 3cv5 s HIS 1022N 1.36 3.40 -0.20 5.30 5.65 -1.26 -0.81 115.29 128.73 3cv5 s HIS 1022Ca -0.08 0.76 -0.10 0.00 0.25 0.00 0.00 55.06 55.89 3cv5 s HIS 1022Cb -0.05 -2.61 -0.05 0.00 -1.18 0.00 0.00 32.58 28.69 3cv5 s HIS 1022CO -0.15 -0.02 0.13 -0.51 -0.65 0.00 0.00 174.74 173.53 3cv5 s LEU 1023N 1.33 4.17 0.27 8.88 1.43 -0.21 -4.98 118.68 129.57 3cv5 s LEU 1023Ca 0.23 0.21 -0.30 0.00 -1.03 0.00 0.00 54.13 53.24 3cv5 s LEU 1023Cb -0.15 -2.08 -0.11 0.00 0.03 0.00 0.00 46.19 43.88 3cv5 s LEU 1023CO 0.09 0.17 1.55 -1.81 0.23 0.00 0.00 176.35 176.58 3cv5 s ASP 1024N 0.40 6.48 0.00 2.29 1.01 -1.26 -1.99 116.67 123.59 3cv5 s ASP 1024Ca 0.08 2.84 0.00 0.00 0.71 0.00 0.00 52.55 56.17 3cv5 s ASP 1024Cb -0.11 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.19 3cv5 s ASP 1024CO -0.02 -0.84 0.00 0.61 0.21 0.00 0.00 175.17 175.13 3cv5 n GLY 1025N 2.34 0.42 3.03 0.21 0.00 -1.26 -2.61 105.19 107.32 3cv5 n GLY 1025Ca 0.08 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.89 3cv5 n GLY 1025CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3cv5 n MET 1026N -1.74 -4.06 -4.05 1.61 2.81 -0.84 -4.98 117.12 105.87 3cv5 n MET 1026Ca 0.00 0.78 -0.35 0.00 -1.81 0.00 0.00 57.70 56.32 3cv5 n MET 1026Cb 0.12 -5.57 -0.12 0.00 -0.71 0.00 0.00 33.22 26.95 3cv5 n MET 1026CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3cv5 s VAL 1027N -3.06 4.13 -0.37 2.03 1.01 -1.07 -4.59 120.40 118.49 3cv5 s VAL 1027Ca 0.29 -0.25 -0.21 0.00 0.00 0.00 0.00 61.98 61.80 3cv5 s VAL 1027Cb -0.14 -2.87 0.01 0.00 0.00 0.00 0.00 36.38 33.38 3cv5 s VAL 1027CO 0.35 0.42 0.69 0.00 0.00 0.00 0.00 175.10 176.56 3cv5 s ALA 1028N 0.94 3.44 0.64 5.51 0.00 -1.26 -4.68 121.76 126.34 3cv5 s ALA 1028Ca 0.02 -0.81 -0.16 0.00 0.00 0.00 0.00 51.96 51.00 3cv5 s ALA 1028Cb -0.14 -3.25 -0.01 0.00 0.00 0.00 0.00 23.12 19.72 3cv5 s ALA 1028CO 0.02 -1.43 1.14 -2.14 0.00 0.00 0.00 175.76 173.35 3cv5 s PRO 1029N 2.86 2.84 0.72 0.00 0.02 -1.26 -4.42 135.00 135.76 3cv5 s PRO 1029Ca 0.27 1.54 -0.11 0.00 0.02 0.00 0.00 61.00 62.72 3cv5 s PRO 1029Cb -0.14 -1.94 0.02 0.00 0.02 0.00 0.00 34.50 32.46 3cv5 s PRO 1029CO 0.16 -1.25 1.07 -1.21 -0.33 0.00 0.00 177.00 175.44 3cv5 s GLU 1030N -3.81 2.72 0.35 5.54 2.02 -1.26 -5.00 118.70 119.27 3cv5 s GLU 1030Ca 0.70 0.95 0.03 0.00 0.02 0.00 0.00 54.97 56.67 3cv5 s GLU 1030Cb -0.24 -1.97 -0.02 0.00 0.10 0.00 0.00 34.13 32.01 3cv5 s GLU 1030CO 0.38 -1.25 0.52 0.14 0.02 0.00 0.00 175.26 175.07 3cv5 s VAL 1031N -3.04 4.56 0.68 2.63 -7.23 -1.26 -5.11 120.40 111.63 3cv5 s VAL 1031Ca 0.59 -0.72 -0.11 0.00 -1.81 0.00 0.00 61.98 59.93 3cv5 s VAL 1031Cb -0.15 -3.64 -0.00 0.00 0.56 0.00 0.00 36.38 33.15 3cv5 s VAL 1031CO 0.55 -0.35 1.05 0.00 -0.31 0.00 0.00 175.10 176.05 3cv5 n PRO 1033N -3.00 1.93 -0.93 0.00 -0.02 -1.26 -1.67 135.00 130.04 3cv5 n PRO 1033Ca 0.07 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3cv5 n PRO 1033Cb 0.54 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 3cv5 n PRO 1033CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3cv5 n MET 1034N 2.11 -0.10 -3.92 -0.52 2.81 0.73 -4.93 117.12 113.31 3cv5 n MET 1034Ca 0.12 0.03 -0.25 0.00 -1.81 0.00 0.00 57.70 55.79 3cv5 n MET 1034Cb 0.30 -3.01 -0.03 0.00 -0.71 0.00 0.00 33.22 29.78 3cv5 n MET 1034CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 3cv5 s GLU 1035N -0.24 3.45 -0.03 0.03 0.41 -0.67 -4.93 118.70 116.72 3cv5 s GLU 1035Ca 0.00 -0.61 0.01 0.00 -0.41 0.00 0.00 54.97 53.96 3cv5 s GLU 1035Cb 0.00 -2.93 0.02 0.00 -1.78 0.00 0.00 34.13 29.44 3cv5 s GLU 1035CO 0.00 0.48 -0.01 0.99 -0.49 0.00 0.00 175.26 176.23 3cv5 s THR 1036N -1.83 0.22 0.12 3.63 2.01 -1.26 -1.73 115.64 116.79 3cv5 s THR 1036Ca 0.35 0.03 0.04 0.00 0.31 0.00 0.00 61.69 62.42 3cv5 s THR 1036Cb -0.10 -0.28 -0.04 0.00 0.01 0.00 0.00 72.50 72.08 3cv5 s THR 1036CO 0.29 0.14 -0.10 0.00 -0.69 0.00 0.00 174.62 174.26 3cv5 s ALA 1037N 0.81 1.25 0.02 7.40 0.00 -0.37 -4.99 121.76 125.89 3cv5 s ALA 1037Ca -0.08 -1.33 0.08 0.00 0.00 0.00 0.00 51.96 50.63 3cv5 s ALA 1037Cb -0.12 0.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 3cv5 s ALA 1037CO -0.01 -0.07 -0.23 0.00 0.00 0.00 0.00 175.76 175.44 3cv5 s ALA 1038N -2.89 1.98 0.04 0.00 0.00 -1.25 -0.47 121.76 119.17 3cv5 s ALA 1038Ca 0.11 -1.11 0.03 0.00 0.00 0.00 0.00 51.96 50.99 3cv5 s ALA 1038Cb -0.00 -0.44 -0.02 0.00 0.00 0.00 0.00 23.12 22.66 3cv5 s ALA 1038CO -0.00 0.47 -0.10 0.71 0.00 0.00 0.00 175.76 176.84 3cv5 s TYR 1039N -0.71 0.86 -0.12 0.00 2.02 0.05 -0.99 117.35 118.47 3cv5 s TYR 1039Ca 0.09 -0.42 0.02 0.00 -0.37 0.00 0.00 57.07 56.39 3cv5 s TYR 1039Cb -0.09 -0.51 0.02 0.00 -0.40 0.00 0.00 41.96 40.98 3cv5 s TYR 1039CO 0.01 -0.02 -0.15 0.08 -1.57 0.00 0.00 175.55 173.89 3cv5 s VAL 1040N -1.12 1.53 -0.11 0.71 1.01 0.36 -0.58 120.40 122.20 3cv5 s VAL 1040Ca -0.05 -0.65 -0.08 0.00 0.00 0.00 0.00 61.98 61.19 3cv5 s VAL 1040Cb -0.09 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 3cv5 s VAL 1040CO 0.01 0.45 0.18 -0.94 0.00 0.00 0.00 175.10 174.79 3cv5 s SER 1041N 1.06 6.43 -0.04 3.32 1.04 0.01 -1.34 113.70 124.17 3cv5 s SER 1041Ca -0.05 0.51 0.02 0.00 0.48 0.00 0.00 55.95 56.91 3cv5 s SER 1041Cb -0.15 -2.10 -0.03 0.00 0.10 0.00 0.00 66.02 63.85 3cv5 s SER 1041CO -0.03 0.37 -0.07 -0.44 0.98 0.00 0.00 173.24 174.05 3cv5 s SER 1042N -0.87 4.60 -0.02 7.02 0.01 0.05 -1.09 113.70 123.40 3cv5 s SER 1042Ca 0.15 -0.07 0.01 0.00 1.31 0.00 0.00 55.95 57.35 3cv5 s SER 1042Cb -0.12 -1.12 0.01 0.00 0.21 0.00 0.00 66.02 65.00 3cv5 s SER 1042CO 0.05 0.34 -0.02 -1.00 0.41 0.00 0.00 173.24 173.02 3cv5 s HIS 1043N -0.86 0.31 -2.63 2.43 3.76 0.22 -0.24 115.29 118.28 3cv5 s HIS 1043Ca 0.14 -0.03 0.27 0.00 -0.15 0.00 0.00 55.06 55.28 3cv5 s HIS 1043Cb -0.11 -0.31 0.83 0.00 1.11 0.00 0.00 32.58 34.10 3cv5 s HIS 1043CO 0.03 -0.07 1.62 -1.13 -0.85 0.00 0.00 174.74 174.34