#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e9h s SER 2 N 0.00 -0.94 -0.22 1.61 0.15 -1.26 -5.14 113.70 107.90 2e9h s SER 2 Ca 0.00 0.55 -0.23 0.00 0.70 0.00 0.00 55.95 56.98 2e9h s SER 2 Cb 0.00 1.77 -0.01 0.00 -1.71 0.00 0.00 66.02 66.07 2e9h s SER 2 CO 0.00 -0.18 0.73 -0.44 1.20 0.00 0.00 173.24 174.56 2e9h s SER 3 N 2.91 6.75 0.15 5.45 0.01 -1.26 -5.05 113.70 122.66 2e9h s SER 3 Ca 0.11 0.93 0.00 0.00 1.31 0.00 0.00 55.95 58.29 2e9h s SER 3 Cb -0.12 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.72 2e9h s SER 3 CO -0.17 -0.40 0.00 0.61 0.41 0.00 0.00 173.24 173.69 2e9h n GLY 4 N 3.82 -3.20 3.09 3.44 0.00 -1.26 -4.96 105.19 106.12 2e9h n GLY 4 Ca 0.02 -1.24 -0.36 0.00 0.00 0.00 0.00 46.02 44.44 2e9h n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2e9h s SER 5 N -1.89 5.19 -0.18 1.61 0.01 -1.26 -4.91 113.70 112.28 2e9h s SER 5 Ca 0.00 -2.71 -0.20 0.00 1.31 0.00 0.00 55.95 54.34 2e9h s SER 5 Cb 0.00 -1.84 -0.22 0.00 0.21 0.00 0.00 66.02 64.18 2e9h s SER 5 CO 0.00 -0.39 0.34 0.28 0.41 0.00 0.00 173.24 173.87 2e9h h SER 6 N 7.19 0.09 -1.58 2.44 0.02 -2.05 -3.43 113.55 116.22 2e9h h SER 6 Ca -0.04 -0.65 -0.43 0.00 -0.84 0.00 0.00 61.79 59.83 2e9h h SER 6 Cb 0.97 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.44 2e9h h SER 6 CO 0.71 1.49 1.18 -0.83 -1.14 0.00 0.00 176.83 178.23 2e9h s GLY 7 N -4.87 0.12 -0.03 -3.77 0.00 -1.26 -4.95 107.32 92.56 2e9h s GLY 7 Ca -0.26 -0.83 0.07 0.00 0.00 0.00 0.00 44.72 43.70 2e9h s GLY 7 CO 0.64 3.51 -0.24 -0.29 0.00 0.00 0.00 173.10 176.73 2e9h s MET 8 N 7.18 2.28 0.04 2.90 -2.45 -1.26 -5.13 119.30 122.86 2e9h s MET 8 Ca 0.71 -0.88 0.06 0.00 -1.25 0.00 0.00 55.69 54.32 2e9h s MET 8 Cb -0.11 -2.13 -0.02 0.00 1.25 0.00 0.00 34.83 33.81 2e9h s MET 8 CO 0.15 0.53 -0.16 -1.12 1.05 0.00 0.00 175.02 175.47 2e9h s SER 9 N -0.53 1.89 0.15 1.11 0.01 -1.26 -3.94 113.70 111.12 2e9h s SER 9 Ca 0.07 -0.49 0.01 0.00 1.31 0.00 0.00 55.95 56.85 2e9h s SER 9 Cb -0.11 -0.13 -0.04 0.00 0.21 0.00 0.00 66.02 65.95 2e9h s SER 9 CO 0.00 0.06 0.30 0.68 0.41 0.00 0.00 173.24 174.70 2e9h s VAL 10 N -0.87 5.30 0.37 3.43 -7.23 -0.23 -4.79 120.40 116.37 2e9h s VAL 10 Ca 0.03 -0.50 -0.26 0.00 -1.81 0.00 0.00 61.98 59.44 2e9h s VAL 10 Cb -0.08 -3.71 -0.12 0.00 0.56 0.00 0.00 36.38 33.03 2e9h s VAL 10 CO 0.02 -0.06 0.98 0.59 -0.31 0.00 0.00 175.10 176.31 2e9h n ASN 11 N -0.38 1.15 -0.29 4.85 3.02 -1.26 -1.23 115.26 121.11 2e9h n ASN 11 Ca -0.06 1.09 0.29 0.00 -0.03 0.00 0.00 54.58 55.87 2e9h n ASN 11 Cb 0.53 -1.31 0.52 0.00 -0.61 0.00 0.00 39.78 38.91 2e9h n ASN 11 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2e9h n VAL 12 N -0.22 -0.35 -4.36 2.41 0.31 -1.25 -4.02 118.33 110.86 2e9h n VAL 12 Ca 0.09 1.75 -0.34 0.00 -0.01 0.00 0.00 64.34 65.83 2e9h n VAL 12 Cb 0.36 -2.85 -0.11 0.00 -0.91 0.00 0.00 33.84 30.34 2e9h n VAL 12 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2e9h s ASN 13 N -4.55 5.00 -0.14 4.52 0.01 -1.26 -4.95 114.94 113.56 2e9h s ASN 13 Ca -0.08 -0.03 0.01 0.00 -0.71 0.00 0.00 52.86 52.05 2e9h s ASN 13 Cb 0.29 -1.69 0.20 0.00 0.41 0.00 0.00 41.25 40.46 2e9h s ASN 13 CO 0.68 0.23 1.30 0.54 -1.51 0.00 0.00 177.10 178.34 2e9h n ARG 14 N 3.12 1.39 -0.00 -0.60 5.12 -1.26 -3.45 116.66 120.99 2e9h n ARG 14 Ca -0.18 -0.93 0.01 0.00 -1.93 0.00 0.00 57.85 54.83 2e9h n ARG 14 Cb 0.53 -1.36 -0.02 0.00 -1.16 0.00 0.00 32.46 30.45 2e9h n ARG 14 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2e9h n SER 15 N 0.01 4.48 -4.52 0.55 2.88 -1.26 -4.99 113.62 110.77 2e9h n SER 15 Ca 0.18 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.37 2e9h n SER 15 Cb 0.85 1.06 -0.11 0.00 -0.75 0.00 0.00 64.21 65.26 2e9h n SER 15 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2e9h s VAL 16 N -2.15 4.40 -0.08 2.46 0.11 -1.22 -4.98 120.40 118.94 2e9h s VAL 16 Ca -0.01 -0.16 0.01 0.00 -2.93 0.00 0.00 61.98 58.89 2e9h s VAL 16 Cb 0.01 -3.01 -0.25 0.00 -1.53 0.00 0.00 36.38 31.60 2e9h s VAL 16 CO 0.09 0.41 0.52 0.28 -3.33 0.00 0.00 175.10 173.08 2e9h h SER 17 N 7.42 0.25 -0.92 3.54 0.02 -1.94 -3.45 113.55 118.48 2e9h h SER 17 Ca -0.36 -0.55 -0.71 0.00 -0.84 0.00 0.00 61.79 59.32 2e9h h SER 17 Cb 1.18 -0.08 0.05 0.00 0.14 0.00 0.00 62.40 63.68 2e9h h SER 17 CO 0.63 1.49 -0.00 0.47 -1.14 0.00 0.00 176.83 178.28 2e9h n ASP 18 N -3.31 -0.13 -1.99 3.07 9.92 -1.26 -4.79 116.55 118.07 2e9h n ASP 18 Ca -0.25 1.06 -0.19 0.00 -0.53 0.00 0.00 54.79 54.89 2e9h n ASP 18 Cb 1.05 -0.85 0.03 0.00 -0.64 0.00 0.00 41.12 40.71 2e9h n ASP 18 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2e9h n GLN 19 N 1.33 1.92 -0.06 -1.24 10.64 -1.26 -4.00 117.38 124.70 2e9h n GLN 19 Ca 0.18 -1.73 -0.07 0.00 -1.83 0.00 0.00 57.00 53.55 2e9h n GLN 19 Cb 0.09 -1.71 -0.09 0.00 -0.86 0.00 0.00 30.24 27.67 2e9h n GLN 19 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 2e9h n PHE 20 N 0.37 0.00 -1.62 2.61 3.01 -1.26 -5.00 117.46 115.58 2e9h n PHE 20 Ca 0.34 0.00 -0.65 0.00 1.01 0.00 0.00 57.45 58.15 2e9h n PHE 20 Cb 0.58 -0.60 -0.10 0.00 -0.01 0.00 0.00 39.48 39.35 2e9h n PHE 20 CO 0.00 0.00 0.00 0.98 1.01 0.00 0.00 176.76 178.75 2e9h n TYR 21 N -2.53 1.61 0.29 1.38 4.19 -1.26 -4.86 117.16 115.99 2e9h n TYR 21 Ca -0.21 1.05 -0.12 0.00 3.31 0.00 0.00 57.90 61.94 2e9h n TYR 21 Cb 0.88 -2.17 -0.06 0.00 0.49 0.00 0.00 39.34 38.48 2e9h n TYR 21 CO 0.00 0.00 0.00 -0.09 0.91 0.00 0.00 176.86 177.68 2e9h h ARG 22 N 5.50 -0.73 -7.05 2.98 1.12 -1.97 -3.44 114.38 110.79 2e9h h ARG 22 Ca -0.37 0.05 -0.50 0.00 -1.11 0.00 0.00 59.98 58.05 2e9h h ARG 22 Cb 1.34 0.17 0.06 0.00 -0.01 0.00 0.00 29.97 31.52 2e9h h ARG 22 CO 0.97 -0.48 0.44 0.71 -3.11 0.00 0.00 179.97 178.49 2e9h s TYR 23 N -4.46 2.81 0.22 2.20 2.02 -1.26 -5.05 117.35 113.83 2e9h s TYR 23 Ca -0.11 1.55 -0.13 0.00 -0.37 0.00 0.00 57.07 58.01 2e9h s TYR 23 Cb 0.01 -3.27 0.00 0.00 -0.40 0.00 0.00 41.96 38.31 2e9h s TYR 23 CO 0.33 -1.38 0.46 0.15 -1.57 0.00 0.00 175.55 173.54 2e9h s LYS 24 N -3.08 1.46 -0.02 -0.62 1.02 -1.26 -3.76 119.74 113.48 2e9h s LYS 24 Ca 0.69 -1.15 -0.00 0.00 0.02 0.00 0.00 55.97 55.52 2e9h s LYS 24 Cb -0.24 0.47 0.02 0.00 -0.52 0.00 0.00 37.83 37.56 2e9h s LYS 24 CO 0.28 -0.60 0.03 0.00 -0.92 0.00 0.00 175.35 174.13 2e9h s MET 25 N -3.98 -0.02 -0.13 1.68 0.23 -0.36 -4.78 119.30 111.94 2e9h s MET 25 Ca 0.18 0.14 -0.29 0.00 -1.03 0.00 0.00 55.69 54.69 2e9h s MET 25 Cb -0.00 -0.16 -0.04 0.00 -1.53 0.00 0.00 34.83 33.10 2e9h s MET 25 CO 0.05 -0.11 1.55 -1.25 -2.03 0.00 0.00 175.02 173.22 2e9h s PRO 26 N 0.73 4.08 -0.37 3.16 0.04 -1.26 -1.07 135.00 140.32 2e9h s PRO 26 Ca -0.06 1.91 -0.45 0.00 0.04 0.00 0.00 61.00 62.44 2e9h s PRO 26 Cb -0.09 -3.95 -0.19 0.00 0.04 0.00 0.00 34.50 30.31 2e9h s PRO 26 CO -0.02 -0.94 1.52 0.54 0.04 0.00 0.00 177.00 178.14 2e9h n ARG 27 N 7.15 0.20 -0.68 4.56 3.00 -1.25 -4.74 116.66 124.90 2e9h n ARG 27 Ca 0.17 0.07 -0.31 0.00 -0.01 0.00 0.00 57.85 57.77 2e9h n ARG 27 Cb 0.44 -1.60 0.17 0.00 0.00 0.00 0.00 32.46 31.47 2e9h n ARG 27 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 2e9h n LEU 28 N 3.71 1.91 -4.21 0.55 -0.00 -1.26 -5.03 117.00 112.67 2e9h n LEU 28 Ca 0.28 0.32 -0.22 0.00 -0.00 0.00 0.00 56.01 56.39 2e9h n LEU 28 Cb -0.00 -1.38 -0.13 0.00 -0.00 0.00 0.00 43.42 41.90 2e9h n LEU 28 CO 0.83 -2.62 -0.49 -0.63 -0.00 0.00 0.00 177.39 174.47 2e9h s ILE 29 N -2.55 1.39 -0.09 1.47 1.01 -1.26 -4.98 121.20 116.19 2e9h s ILE 29 Ca 0.65 -1.19 0.04 0.00 0.00 0.00 0.00 60.65 60.15 2e9h s ILE 29 Cb -0.23 -1.25 -0.00 0.00 0.01 0.00 0.00 42.46 40.99 2e9h s ILE 29 CO 0.61 0.03 -0.24 0.00 0.00 0.00 0.00 174.94 175.35 2e9h s ALA 30 N -0.93 2.12 -0.24 9.38 0.00 -1.26 -3.13 121.76 127.70 2e9h s ALA 30 Ca 0.04 -0.95 -0.03 0.00 0.00 0.00 0.00 51.96 51.02 2e9h s ALA 30 Cb -0.09 -0.78 0.01 0.00 0.00 0.00 0.00 23.12 22.27 2e9h s ALA 30 CO 0.02 0.30 -0.04 0.21 0.00 0.00 0.00 175.76 176.25 2e9h s LYS 31 N 0.28 3.03 0.01 0.00 2.36 0.22 -4.89 119.74 120.76 2e9h s LYS 31 Ca -0.16 -0.85 0.07 0.00 -2.55 0.00 0.00 55.97 52.47 2e9h s LYS 31 Cb -0.17 -3.03 -0.02 0.00 -1.05 0.00 0.00 37.83 33.56 2e9h s LYS 31 CO 0.08 -0.34 -0.20 0.08 1.55 0.00 0.00 175.35 176.52 2e9h s VAL 32 N 1.39 1.63 0.00 4.02 1.01 -1.26 -0.20 120.40 127.00 2e9h s VAL 32 Ca 0.02 -1.02 0.00 0.00 0.00 0.00 0.00 61.98 60.99 2e9h s VAL 32 Cb -0.16 -1.38 -0.00 0.00 0.00 0.00 0.00 36.38 34.83 2e9h s VAL 32 CO -0.04 0.34 -0.01 -1.61 0.00 0.00 0.00 175.10 173.78 2e9h s GLU 33 N -0.80 0.10 0.28 2.72 2.02 -1.26 -5.02 118.70 116.74 2e9h s GLU 33 Ca 0.08 -0.10 0.00 0.00 0.02 0.00 0.00 54.97 54.96 2e9h s GLU 33 Cb -0.08 -0.05 0.00 0.00 0.10 0.00 0.00 34.13 34.10 2e9h s GLU 33 CO 0.00 0.01 0.00 0.41 0.02 0.00 0.00 175.26 175.71 2e9h n GLY 34 N 2.88 -3.26 2.87 -1.39 0.00 -1.26 -3.70 105.19 101.33 2e9h n GLY 34 Ca -0.14 -1.15 -0.30 0.00 0.00 0.00 0.00 46.02 44.44 2e9h n GLY 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2e9h s LYS 35 N -4.33 1.29 0.00 1.61 2.36 -1.26 -4.12 119.74 115.29 2e9h s LYS 35 Ca 0.00 -1.76 0.00 0.00 -2.55 0.00 0.00 55.97 51.66 2e9h s LYS 35 Cb 0.00 -2.71 0.00 0.00 -1.05 0.00 0.00 37.83 34.07 2e9h s LYS 35 CO 0.00 -1.01 0.00 0.41 1.55 0.00 0.00 175.35 176.30 2e9h n GLY 36 N 4.15 3.24 2.26 5.54 0.00 -1.26 -4.86 105.19 114.26 2e9h n GLY 36 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 2e9h n GLY 36 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2e9h n ASN 37 N 0.03 6.25 0.00 1.61 3.02 -1.26 -4.68 115.26 120.23 2e9h n ASN 37 Ca 0.00 -3.73 0.00 0.00 -0.03 0.00 0.00 54.58 50.82 2e9h n ASN 37 Cb 0.00 -0.91 0.00 0.00 -0.61 0.00 0.00 39.78 38.26 2e9h n ASN 37 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2e9h n GLY 38 N -0.99 1.88 3.63 7.41 0.00 -1.26 -4.97 105.19 110.89 2e9h n GLY 38 Ca 0.61 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.20 2e9h n GLY 38 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2e9h s ILE 39 N -2.00 3.92 -0.01 -0.61 2.07 -1.24 -4.81 121.20 118.52 2e9h s ILE 39 Ca 0.00 1.03 0.01 0.00 -1.41 0.00 0.00 60.65 60.29 2e9h s ILE 39 Cb 0.00 -3.95 -0.00 0.00 0.13 0.00 0.00 42.46 38.64 2e9h s ILE 39 CO 0.00 -0.41 -0.05 -1.59 -1.91 0.00 0.00 174.94 170.98 2e9h s LYS 40 N 4.45 0.43 -0.62 3.50 -2.85 -1.26 -3.65 119.74 119.74 2e9h s LYS 40 Ca 0.63 -0.16 -0.26 0.00 -1.00 0.00 0.00 55.97 55.18 2e9h s LYS 40 Cb -0.20 -0.43 0.04 0.00 -2.06 0.00 0.00 37.83 35.18 2e9h s LYS 40 CO 0.26 0.08 1.13 0.99 0.10 0.00 0.00 175.35 177.92 2e9h s THR 41 N 0.01 4.06 -0.48 3.79 2.01 -0.23 -4.26 115.64 120.54 2e9h s THR 41 Ca 0.00 0.51 -0.16 0.00 0.31 0.00 0.00 61.69 62.35 2e9h s THR 41 Cb -0.03 -4.73 0.08 0.00 0.01 0.00 0.00 72.50 67.82 2e9h s THR 41 CO -0.00 -1.43 0.44 -0.69 -0.69 0.00 0.00 174.62 172.25 2e9h s VAL 42 N 4.82 5.18 -1.03 3.82 1.01 0.73 -0.10 120.40 134.84 2e9h s VAL 42 Ca 0.36 -1.03 -0.23 0.00 0.00 0.00 0.00 61.98 61.08 2e9h s VAL 42 Cb -0.10 -4.17 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 2e9h s VAL 42 CO 0.20 -0.64 1.89 -0.63 0.00 0.00 0.00 175.10 175.91 2e9h s ILE 43 N 1.78 3.56 0.16 2.22 1.01 -1.12 -0.61 121.20 128.19 2e9h s ILE 43 Ca 0.05 -0.67 -0.16 0.00 0.00 0.00 0.00 60.65 59.87 2e9h s ILE 43 Cb -0.24 -4.35 0.02 0.00 0.01 0.00 0.00 42.46 37.90 2e9h s ILE 43 CO 0.07 -1.11 1.78 0.58 0.00 0.00 0.00 174.94 176.25 2e9h h VAL 44 N 6.77 0.98 -0.80 2.92 2.07 -1.84 -2.55 116.25 123.80 2e9h h VAL 44 Ca 0.17 -0.13 -0.42 0.00 0.82 0.00 0.00 66.70 67.13 2e9h h VAL 44 Cb 0.98 0.55 -0.16 0.00 -1.52 0.00 0.00 31.29 31.14 2e9h h VAL 44 CO 1.25 0.07 0.32 -3.20 0.02 0.00 0.00 177.57 176.03 2e9h n ASN 45 N -4.93 6.35 -0.02 0.57 5.15 -1.24 -4.33 115.26 116.81 2e9h n ASN 45 Ca 0.01 -3.10 -0.22 0.00 -0.60 0.00 0.00 54.58 50.68 2e9h n ASN 45 Cb 0.09 -1.20 -0.13 0.00 -0.53 0.00 0.00 39.78 38.01 2e9h n ASN 45 CO 0.00 0.00 0.00 -0.03 1.40 0.00 0.00 177.26 178.63 2e9h h MET 46 N 2.59 0.21 -0.11 1.20 1.85 -1.75 -3.31 114.93 115.61 2e9h h MET 46 Ca 0.34 -0.37 -0.05 0.00 -0.61 0.00 0.00 59.70 59.02 2e9h h MET 46 Cb 0.85 0.14 -0.00 0.00 0.43 0.00 0.00 31.60 33.01 2e9h h MET 46 CO 0.78 1.17 -0.13 0.28 -0.40 0.00 0.00 176.91 178.62 2e9h h VAL 47 N -0.17 1.37 0.05 -5.77 2.07 -1.83 -2.91 116.25 109.06 2e9h h VAL 47 Ca -0.40 -1.32 0.00 0.00 0.82 0.00 0.00 66.70 65.80 2e9h h VAL 47 Cb 1.87 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 33.62 2e9h h VAL 47 CO 0.03 0.38 -0.12 0.44 0.02 0.00 0.00 177.57 178.31 2e9h h ASP 48 N -0.14 -0.35 -0.99 0.57 5.19 -1.86 -1.97 116.42 116.88 2e9h h ASP 48 Ca 0.01 0.04 0.31 0.00 -0.62 0.00 0.00 57.03 56.77 2e9h h ASP 48 Cb 0.66 0.13 -0.15 0.00 0.18 0.00 0.00 39.33 40.15 2e9h h ASP 48 CO 0.03 -0.13 0.52 -0.37 -3.12 0.00 0.00 179.24 176.17 2e9h h VAL 49 N -0.18 0.30 0.11 -1.35 -1.51 -1.69 0.17 116.25 112.10 2e9h h VAL 49 Ca -0.00 -0.11 0.02 0.00 -1.23 0.00 0.00 66.70 65.38 2e9h h VAL 49 Cb 0.18 -0.04 -0.04 0.00 -2.13 0.00 0.00 31.29 29.26 2e9h h VAL 49 CO -0.05 0.06 -0.33 0.00 -1.23 0.00 0.00 177.57 176.02 2e9h h ALA 50 N 1.84 -0.55 -0.70 5.19 0.00 -1.17 -2.35 119.26 121.53 2e9h h ALA 50 Ca 0.71 -0.05 0.15 0.00 0.00 0.00 0.00 54.91 55.72 2e9h h ALA 50 Cb 1.59 0.54 -0.13 0.00 0.00 0.00 0.00 17.79 19.79 2e9h h ALA 50 CO -0.61 -0.87 -0.09 0.87 0.00 0.00 0.00 179.25 178.54 2e9h h LYS 51 N -0.54 0.04 -0.89 0.00 6.56 -0.27 0.42 116.57 121.89 2e9h h LYS 51 Ca 0.03 -0.00 0.18 0.00 -1.06 0.00 0.00 60.65 59.80 2e9h h LYS 51 Cb 0.58 -0.01 -0.07 0.00 -0.57 0.00 0.00 32.23 32.16 2e9h h LYS 51 CO -0.20 0.03 0.58 0.00 -2.06 0.00 0.00 179.45 177.80 2e9h h ALA 52 N 1.68 2.02 -0.35 3.86 0.00 -1.27 0.52 119.26 125.71 2e9h h ALA 52 Ca 0.35 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.29 2e9h h ALA 52 Cb 0.58 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.30 2e9h h ALA 52 CO -0.67 -0.29 0.00 1.28 0.00 0.00 0.00 179.25 179.57 2e9h n LEU 53 N -4.55 3.53 -2.30 0.00 4.77 0.14 -4.88 117.00 113.72 2e9h n LEU 53 Ca 0.18 -1.79 -0.04 0.00 -0.03 0.00 0.00 56.01 54.34 2e9h n LEU 53 Cb 0.59 -0.56 -0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2e9h n LEU 53 CO 0.30 0.49 -0.05 0.59 -1.33 0.00 0.00 177.39 177.39 2e9h n ASN 54 N 0.43 -1.77 -4.05 -1.43 4.13 0.18 -4.88 115.26 107.87 2e9h n ASN 54 Ca 0.16 0.36 -0.12 0.00 1.68 0.00 0.00 54.58 56.66 2e9h n ASN 54 Cb 0.73 -1.66 -0.11 0.00 -1.54 0.00 0.00 39.78 37.20 2e9h n ASN 54 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 2e9h s ARG 55 N -4.64 0.49 0.68 3.52 0.52 -0.96 -5.01 118.95 113.55 2e9h s ARG 55 Ca 0.00 -0.75 -0.14 0.00 -0.52 0.00 0.00 55.73 54.32 2e9h s ARG 55 Cb 0.00 -0.19 0.01 0.00 0.52 0.00 0.00 34.95 35.29 2e9h s ARG 55 CO 0.00 0.02 1.11 -1.25 0.02 0.00 0.00 175.30 175.20 2e9h s PRO 56 N -1.66 2.68 0.00 3.54 0.04 -1.26 -3.75 135.00 134.59 2e9h s PRO 56 Ca -0.10 1.34 0.14 0.00 0.04 0.00 0.00 61.00 62.42 2e9h s PRO 56 Cb -0.09 -1.94 0.68 0.00 0.04 0.00 0.00 34.50 33.19 2e9h s PRO 56 CO -0.00 -1.34 1.43 -0.35 0.04 0.00 0.00 177.00 176.78 2e9h n PRO 57 N -2.67 0.12 -0.05 0.56 -0.04 -1.26 -2.87 135.00 128.79 2e9h n PRO 57 Ca 0.10 0.19 -0.07 0.00 -0.04 0.00 0.00 63.50 63.69 2e9h n PRO 57 Cb 0.52 -1.50 0.12 0.00 -0.04 0.00 0.00 33.50 32.60 2e9h n PRO 57 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2e9h h THR 58 N 0.00 1.27 0.27 0.52 1.35 -1.95 0.34 112.91 114.71 2e9h h THR 58 Ca 0.00 -1.34 -0.01 0.00 -0.55 0.00 0.00 66.41 64.50 2e9h h THR 58 Cb 0.18 1.28 0.00 0.00 -1.73 0.00 0.00 68.15 67.89 2e9h h THR 58 CO 0.00 0.44 -0.13 1.88 -0.25 0.00 0.00 175.52 177.46 2e9h h TYR 59 N 0.59 -0.33 0.06 4.73 0.05 -1.92 -2.59 116.97 117.56 2e9h h TYR 59 Ca 0.08 -0.01 -0.00 0.00 0.05 0.00 0.00 58.73 58.85 2e9h h TYR 59 Cb 0.73 0.11 0.00 0.00 1.01 0.00 0.00 36.73 38.58 2e9h h TYR 59 CO 0.03 0.00 -0.03 -1.00 -1.05 0.00 0.00 178.16 176.12 2e9h h PRO 60 N -0.71 -0.08 -0.56 4.88 0.13 -1.71 -2.05 132.00 131.90 2e9h h PRO 60 Ca -0.04 0.01 0.11 0.00 -0.87 0.00 0.00 66.00 65.21 2e9h h PRO 60 Cb 0.48 0.02 -0.10 0.00 0.13 0.00 0.00 31.00 31.53 2e9h h PRO 60 CO 0.06 0.38 -0.13 1.15 -0.23 0.00 0.00 178.00 179.23 2e9h h THR 61 N -0.57 0.45 -0.16 1.56 2.02 -0.44 -1.35 112.91 114.42 2e9h h THR 61 Ca -0.01 -0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 2e9h h THR 61 Cb 0.49 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 2e9h h THR 61 CO 0.01 0.00 0.03 0.50 0.37 0.00 0.00 175.52 176.43 2e9h h LYS 62 N 0.01 0.27 -1.03 6.66 3.11 -1.52 -2.90 116.57 121.16 2e9h h LYS 62 Ca 0.27 -0.07 0.27 0.00 -2.81 0.00 0.00 60.65 58.31 2e9h h LYS 62 Cb 0.41 -0.03 -0.12 0.00 -1.00 0.00 0.00 32.23 31.49 2e9h h LYS 62 CO -0.57 0.44 0.62 -0.92 -2.81 0.00 0.00 179.45 176.22 2e9h h TYR 63 N 0.06 0.89 0.69 1.91 5.03 -0.53 -1.28 116.97 123.74 2e9h h TYR 63 Ca 0.05 0.03 -0.03 0.00 2.58 0.00 0.00 58.73 61.36 2e9h h TYR 63 Cb 0.30 -0.25 -0.01 0.00 1.55 0.00 0.00 36.73 38.32 2e9h h TYR 63 CO 0.02 0.02 -0.46 0.74 -1.32 0.00 0.00 178.16 177.15 2e9h h PHE 64 N 0.48 -1.24 -1.03 -3.82 0.04 -1.07 -2.47 116.94 107.82 2e9h h PHE 64 Ca 0.65 -0.01 0.26 0.00 2.80 0.00 0.00 57.97 61.67 2e9h h PHE 64 Cb 1.42 0.45 -0.10 0.00 2.20 0.00 0.00 35.95 39.92 2e9h h PHE 64 CO -0.01 -0.68 0.65 0.78 -0.60 0.00 0.00 178.31 178.46 2e9h h GLY 65 N -1.10 1.35 0.86 -1.45 0.00 -1.26 0.54 103.07 102.01 2e9h h GLY 65 Ca -0.09 -0.23 -0.04 0.00 0.00 0.00 0.00 47.33 46.97 2e9h h GLY 65 CO 0.07 -0.15 -0.46 0.00 0.00 0.00 0.00 176.54 175.99 2e9h h GLU 67 N -1.21 0.63 0.00 0.00 4.39 -1.02 -1.75 114.58 115.62 2e9h h GLU 67 Ca -0.12 -0.04 -0.06 0.00 0.34 0.00 0.00 59.36 59.49 2e9h h GLU 67 Cb 0.95 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.45 2e9h h GLU 67 CO 0.16 0.42 -0.27 -0.07 -1.16 0.00 0.00 179.01 178.09 2e9h h LEU 68 N 0.65 0.00 0.32 1.33 3.38 -0.85 -3.47 115.31 116.68 2e9h h LEU 68 Ca 0.20 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.00 2e9h h LEU 68 Cb -0.03 0.00 0.02 0.00 0.09 0.00 0.00 40.66 40.74 2e9h h LEU 68 CO -0.07 0.27 -0.24 0.61 0.09 0.00 0.00 178.44 179.10 2e9h n GLY 69 N -0.29 0.15 3.36 0.83 0.00 0.38 -5.04 105.19 104.59 2e9h n GLY 69 Ca -0.01 -0.43 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 2e9h n GLY 69 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2e9h n ALA 70 N -2.30 0.53 -1.95 4.61 0.00 -0.63 -5.03 120.51 115.75 2e9h n ALA 70 Ca -0.06 -2.08 -0.24 0.00 0.00 0.00 0.00 53.44 51.05 2e9h n ALA 70 Cb 0.56 1.34 0.07 0.00 0.00 0.00 0.00 19.45 21.41 2e9h n ALA 70 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2e9h s GLN 71 N -3.59 2.22 0.20 0.00 -1.52 -1.26 -4.62 119.66 111.08 2e9h s GLN 71 Ca 0.16 -0.45 -0.11 0.00 -1.95 0.00 0.00 55.36 53.01 2e9h s GLN 71 Cb 0.01 -2.26 -0.01 0.00 -0.22 0.00 0.00 33.01 30.54 2e9h s GLN 71 CO 0.11 -1.14 0.36 0.95 -0.25 0.00 0.00 175.29 175.32 2e9h s THR 72 N -3.13 0.03 -0.17 -0.19 -4.23 -1.26 -1.50 115.64 105.20 2e9h s THR 72 Ca 0.60 -1.37 0.01 0.00 -1.18 0.00 0.00 61.69 59.75 2e9h s THR 72 Cb -0.10 -1.98 0.03 0.00 1.34 0.00 0.00 72.50 71.78 2e9h s THR 72 CO 0.43 -0.15 -0.15 -1.58 -0.54 0.00 0.00 174.62 172.63 2e9h s GLN 73 N -3.99 2.40 -0.46 3.99 0.74 -0.86 -4.95 119.66 116.53 2e9h s GLN 73 Ca 0.20 -0.73 -0.09 0.00 0.05 0.00 0.00 55.36 54.79 2e9h s GLN 73 Cb 0.02 -2.33 0.11 0.00 1.10 0.00 0.00 33.01 31.91 2e9h s GLN 73 CO 0.04 -0.29 0.33 -0.06 -0.55 0.00 0.00 175.29 174.76 2e9h s PHE 74 N 1.40 3.40 -0.48 1.67 0.40 -1.26 -2.90 117.98 120.21 2e9h s PHE 74 Ca 0.03 -1.78 0.03 0.00 -0.60 0.00 0.00 56.93 54.61 2e9h s PHE 74 Cb -0.14 -3.38 0.14 0.00 0.51 0.00 0.00 43.02 40.15 2e9h s PHE 74 CO -0.10 -0.96 0.27 -0.51 0.70 0.00 0.00 175.22 174.62 2e9h s ASP 75 N 2.57 3.83 0.29 1.36 1.01 -1.15 -4.95 116.67 119.62 2e9h s ASP 75 Ca 0.05 -2.85 0.04 0.00 0.71 0.00 0.00 52.55 50.50 2e9h s ASP 75 Cb -0.26 -1.22 0.43 0.00 1.01 0.00 0.00 42.92 42.89 2e9h s ASP 75 CO 0.00 -0.24 1.71 0.58 0.21 0.00 0.00 175.17 177.43 2e9h h VAL 76 N 5.21 1.28 -0.84 -1.27 2.07 -1.95 -0.24 116.25 120.52 2e9h h VAL 76 Ca -0.00 -1.38 0.16 0.00 0.82 0.00 0.00 66.70 66.30 2e9h h VAL 76 Cb 0.90 1.50 -0.16 0.00 -1.52 0.00 0.00 31.29 32.02 2e9h h VAL 76 CO 0.55 0.43 -0.25 0.11 0.02 0.00 0.00 177.57 178.43 2e9h h LYS 77 N 0.32 -0.02 -0.42 1.57 1.57 -1.96 0.16 116.57 117.80 2e9h h LYS 77 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2e9h h LYS 77 Cb 0.74 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.05 2e9h h LYS 77 CO 0.06 -0.01 0.00 0.09 -0.57 0.00 0.00 179.45 179.01 2e9h n ASN 78 N -5.52 3.64 -4.03 0.86 3.02 -1.20 -4.97 115.26 107.06 2e9h n ASN 78 Ca 0.11 -2.35 -0.27 0.00 -0.03 0.00 0.00 54.58 52.04 2e9h n ASN 78 Cb 0.42 -0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 39.15 2e9h n ASN 78 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2e9h n ASP 79 N 0.48 -0.38 -4.14 6.41 8.00 0.57 -4.94 116.55 122.55 2e9h n ASP 79 Ca 0.18 -1.05 -0.33 0.00 0.71 0.00 0.00 54.79 54.30 2e9h n ASP 79 Cb 0.66 -2.83 -0.15 0.00 -0.02 0.00 0.00 41.12 38.78 2e9h n ASP 79 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2e9h s ARG 80 N -6.70 2.82 -0.23 -1.24 1.70 -0.21 -4.97 118.95 110.11 2e9h s ARG 80 Ca 0.07 -0.96 -0.01 0.00 -0.47 0.00 0.00 55.73 54.36 2e9h s ARG 80 Cb -0.04 -2.75 0.02 0.00 -0.57 0.00 0.00 34.95 31.62 2e9h s ARG 80 CO 0.91 -0.33 -0.10 0.71 -1.08 0.00 0.00 175.30 175.41 2e9h s TYR 81 N 1.27 2.98 0.29 5.89 1.51 -1.26 -2.92 117.35 125.11 2e9h s TYR 81 Ca 0.01 -1.55 0.10 0.00 -1.01 0.00 0.00 57.07 54.62 2e9h s TYR 81 Cb -0.15 -2.02 -0.05 0.00 -0.11 0.00 0.00 41.96 39.63 2e9h s TYR 81 CO -0.09 -0.74 -0.01 0.42 -1.11 0.00 0.00 175.55 174.02 2e9h s ILE 82 N 1.32 3.08 -0.21 2.71 1.01 -1.14 -2.80 121.20 125.17 2e9h s ILE 82 Ca 0.02 -1.97 -0.03 0.00 0.00 0.00 0.00 60.65 58.67 2e9h s ILE 82 Cb -0.15 -2.78 0.07 0.00 0.01 0.00 0.00 42.46 39.61 2e9h s ILE 82 CO -0.07 -0.32 0.07 -0.69 0.00 0.00 0.00 174.94 173.93 2e9h s VAL 83 N -2.41 0.34 -0.00 2.92 1.01 0.86 -2.04 120.40 121.08 2e9h s VAL 83 Ca 0.33 -0.58 -0.38 0.00 0.00 0.00 0.00 61.98 61.35 2e9h s VAL 83 Cb -0.04 -0.98 -0.17 0.00 0.00 0.00 0.00 36.38 35.18 2e9h s VAL 83 CO 0.19 -0.34 1.35 0.59 0.00 0.00 0.00 175.10 176.90 2e9h n ASN 84 N 5.11 1.42 0.00 3.32 4.13 -0.56 -1.44 115.26 127.24 2e9h n ASN 84 Ca -0.07 1.12 0.00 0.00 1.68 0.00 0.00 54.58 57.31 2e9h n ASN 84 Cb 0.46 -1.12 0.00 0.00 -1.54 0.00 0.00 39.78 37.58 2e9h n ASN 84 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2e9h n GLY 85 N 2.61 2.03 3.72 7.41 0.00 -1.24 -4.59 105.19 115.13 2e9h n GLY 85 Ca 0.20 -1.94 -0.36 0.00 0.00 0.00 0.00 46.02 43.92 2e9h n GLY 85 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2e9h s SER 86 N 0.00 6.37 -0.10 1.61 0.15 -1.26 -1.07 113.70 119.40 2e9h s SER 86 Ca 0.00 0.42 -0.04 0.00 0.70 0.00 0.00 55.95 57.03 2e9h s SER 86 Cb 0.00 -2.16 0.05 0.00 -1.71 0.00 0.00 66.02 62.20 2e9h s SER 86 CO 0.00 0.11 0.22 -1.00 1.20 0.00 0.00 173.24 173.77 2e9h s HIS 87 N 0.49 -0.29 0.55 3.44 3.76 -1.26 -5.00 115.29 116.98 2e9h s HIS 87 Ca 0.14 0.72 -0.18 0.00 -0.15 0.00 0.00 55.06 55.59 2e9h s HIS 87 Cb -0.12 -0.01 -0.06 0.00 1.11 0.00 0.00 32.58 33.50 2e9h s HIS 87 CO 0.02 -0.23 1.07 -1.83 -0.85 0.00 0.00 174.74 172.92 2e9h s GLU 88 N 1.43 3.46 0.19 1.40 -1.05 -1.26 -4.92 118.70 117.95 2e9h s GLU 88 Ca -0.07 1.37 -0.09 0.00 -0.15 0.00 0.00 54.97 56.03 2e9h s GLU 88 Cb -0.11 -2.04 0.10 0.00 -0.44 0.00 0.00 34.13 31.63 2e9h s GLU 88 CO -0.08 -0.72 1.69 0.00 0.95 0.00 0.00 175.26 177.10 2e9h h ALA 89 N 0.99 0.89 -0.90 -0.84 0.00 -1.94 -2.10 119.26 115.37 2e9h h ALA 89 Ca -0.49 -0.27 0.16 0.00 0.00 0.00 0.00 54.91 54.31 2e9h h ALA 89 Cb 1.23 -0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.70 2e9h h ALA 89 CO 0.58 0.67 0.58 -2.95 0.00 0.00 0.00 179.25 178.12 2e9h h ASN 90 N 1.04 0.60 0.03 0.00 -1.07 -1.93 -1.69 115.58 112.55 2e9h h ASN 90 Ca 0.20 0.04 -0.00 0.00 0.07 0.00 0.00 56.30 56.62 2e9h h ASN 90 Cb 0.45 -0.07 0.00 0.00 -2.07 0.00 0.00 38.32 36.63 2e9h h ASN 90 CO 0.01 0.28 -0.02 0.50 0.07 0.00 0.00 177.43 178.28 2e9h h LYS 91 N 0.62 -0.04 -0.82 4.14 3.64 -1.88 -3.26 116.57 118.97 2e9h h LYS 91 Ca 0.46 0.00 0.17 0.00 -1.27 0.00 0.00 60.65 60.01 2e9h h LYS 91 Cb 0.84 0.01 -0.16 0.00 -0.41 0.00 0.00 32.23 32.52 2e9h h LYS 91 CO -0.21 0.61 -0.20 -0.07 -2.27 0.00 0.00 179.45 177.31 2e9h h LEU 92 N -0.93 -0.75 -0.76 5.20 3.38 -0.94 0.44 115.31 120.95 2e9h h LEU 92 Ca -0.00 0.25 0.10 0.00 0.09 0.00 0.00 57.88 58.31 2e9h h LEU 92 Cb 0.67 0.51 -0.07 0.00 0.09 0.00 0.00 40.66 41.86 2e9h h LEU 92 CO 0.01 -0.27 0.40 -0.61 0.09 0.00 0.00 178.44 178.06 2e9h h GLN 93 N 0.00 0.64 -0.72 1.13 5.75 -1.44 0.19 115.11 120.66 2e9h h GLN 93 Ca 0.40 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.86 2e9h h GLN 93 Cb 0.61 -0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.98 2e9h h GLN 93 CO -0.84 0.42 0.46 0.22 -2.65 0.00 0.00 178.83 176.44 2e9h h ASP 94 N 0.66 0.85 0.30 -0.69 1.82 -0.20 -1.60 116.42 117.55 2e9h h ASP 94 Ca 0.38 -0.04 -0.01 0.00 -0.39 0.00 0.00 57.03 56.96 2e9h h ASP 94 Cb 0.40 -0.21 0.00 0.00 0.68 0.00 0.00 39.33 40.20 2e9h h ASP 94 CO -0.27 0.63 -0.14 0.24 -1.61 0.00 0.00 179.24 178.08 2e9h h MET 95 N 0.98 -0.39 -1.54 0.28 0.00 -0.23 -3.20 114.93 110.83 2e9h h MET 95 Ca 0.26 0.03 0.45 0.00 0.00 0.00 0.00 59.70 60.44 2e9h h MET 95 Cb -0.08 0.09 -0.07 0.00 0.00 0.00 0.00 31.60 31.54 2e9h h MET 95 CO -0.05 -0.26 1.09 1.25 0.00 0.00 0.00 176.91 178.94 2e9h h LEU 96 N -0.72 0.04 -0.63 1.22 5.85 -0.71 0.81 115.31 121.18 2e9h h LEU 96 Ca -0.04 0.02 0.12 0.00 0.84 0.00 0.00 57.88 58.82 2e9h h LEU 96 Cb 0.31 0.01 -0.12 0.00 0.37 0.00 0.00 40.66 41.23 2e9h h LEU 96 CO 0.07 -0.02 -0.22 -0.78 -0.34 0.00 0.00 178.44 177.15 2e9h h ASP 97 N 0.03 -0.80 -0.85 1.25 3.58 -1.27 0.95 116.42 119.30 2e9h h ASP 97 Ca 0.76 0.21 0.17 0.00 0.42 0.00 0.00 57.03 58.58 2e9h h ASP 97 Cb 2.93 0.46 -0.10 0.00 1.72 0.00 0.00 39.33 44.34 2e9h h ASP 97 CO -0.06 -0.25 0.40 1.23 -2.88 0.00 0.00 179.24 177.68 2e9h h GLY 98 N -0.06 1.40 1.44 -0.78 0.00 -0.97 0.35 103.07 104.44 2e9h h GLY 98 Ca 0.29 -0.21 -0.07 0.00 0.00 0.00 0.00 47.33 47.34 2e9h h GLY 98 CO -0.68 -0.13 -0.03 -2.75 0.00 0.00 0.00 176.54 172.96 2e9h h PHE 99 N 0.52 0.72 -0.22 5.60 3.04 -0.97 -1.85 116.94 123.79 2e9h h PHE 99 Ca 0.49 -0.10 0.00 0.00 3.98 0.00 0.00 57.97 62.34 2e9h h PHE 99 Cb 0.79 -0.20 0.00 0.00 2.56 0.00 0.00 35.95 39.10 2e9h h PHE 99 CO -0.12 0.70 0.00 -0.89 -2.02 0.00 0.00 178.31 175.98 2e9h n ILE 100 N -4.22 0.28 -0.04 1.41 5.41 0.23 -2.34 119.36 120.08 2e9h n ILE 100 Ca 0.02 -0.40 0.02 0.00 1.00 0.00 0.00 62.75 63.38 2e9h n ILE 100 Cb 0.30 0.40 -0.13 0.00 -0.71 0.00 0.00 39.64 39.49 2e9h n ILE 100 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2e9h n LYS 101 N 0.45 0.88 -0.00 0.38 0.00 0.97 -3.21 118.16 117.63 2e9h n LYS 101 Ca 0.16 -0.09 -0.03 0.00 0.00 0.00 0.00 58.31 58.35 2e9h n LYS 101 Cb 0.35 -1.42 -0.01 0.00 0.00 0.00 0.00 35.03 33.95 2e9h n LYS 101 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2e9h n LYS 102 N -2.32 0.16 0.29 1.64 5.02 -0.90 -4.38 118.16 117.66 2e9h n LYS 102 Ca -0.13 0.06 -0.14 0.00 -2.02 0.00 0.00 58.31 56.08 2e9h n LYS 102 Cb 0.70 -0.71 -0.07 0.00 -0.02 0.00 0.00 35.03 34.93 2e9h n LYS 102 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 2e9h h PHE 103 N -0.29 -0.95 0.00 2.13 -1.00 -1.69 -3.35 116.94 111.79 2e9h h PHE 103 Ca 0.00 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.77 2e9h h PHE 103 Cb 0.29 0.35 0.00 0.00 3.61 0.00 0.00 35.95 40.20 2e9h h PHE 103 CO -0.13 -0.52 0.00 0.28 -1.61 0.00 0.00 178.31 176.34 2e9h n VAL 104 N -4.59 0.00 -0.55 -0.55 0.31 -1.15 -4.78 118.33 107.02 2e9h n VAL 104 Ca -0.10 1.35 -0.29 0.00 -0.01 0.00 0.00 64.34 65.28 2e9h n VAL 104 Cb 0.35 -2.34 0.23 0.00 -0.91 0.00 0.00 33.84 31.17 2e9h n VAL 104 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2e9h s LEU 105 N -3.26 1.49 -0.14 7.52 1.43 -1.20 -4.35 118.68 120.17 2e9h s LEU 105 Ca 0.00 1.79 -0.05 0.00 -1.03 0.00 0.00 54.13 54.84 2e9h s LEU 105 Cb 0.00 -3.84 -0.04 0.00 0.03 0.00 0.00 46.19 42.35 2e9h s LEU 105 CO 0.00 -3.91 0.03 0.00 0.23 0.00 0.00 176.35 172.69 2e9h n PRO 107 N 2.96 0.49 0.02 0.00 -0.04 -1.26 0.13 135.00 137.30 2e9h n PRO 107 Ca -0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.28 2e9h n PRO 107 Cb 0.53 -1.22 0.00 0.00 -0.04 0.00 0.00 33.50 32.77 2e9h n PRO 107 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2e9h n GLU 108 N -0.72 0.00 -0.00 0.54 -0.58 -1.26 -4.84 120.64 113.78 2e9h n GLU 108 Ca 0.05 0.00 0.07 0.00 -0.42 0.00 0.00 57.16 56.86 2e9h n GLU 108 Cb 0.02 -0.39 -0.09 0.00 -0.57 0.00 0.00 31.44 30.42 2e9h n GLU 108 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2e9h n GLU 110 N -1.37 -5.31 -4.39 0.00 1.02 0.35 -4.82 120.64 106.12 2e9h n GLU 110 Ca 0.03 0.62 -0.35 0.00 -0.02 0.00 0.00 57.16 57.44 2e9h n GLU 110 Cb 0.24 -5.34 -0.10 0.00 -0.02 0.00 0.00 31.44 26.22 2e9h n GLU 110 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 2e9h s ASN 111 N -3.89 5.12 0.00 1.62 -0.87 -1.26 -4.43 114.94 111.22 2e9h s ASN 111 Ca 0.30 0.08 0.11 0.00 -1.57 0.00 0.00 52.86 51.77 2e9h s ASN 111 Cb -0.15 -1.52 0.65 0.00 -0.02 0.00 0.00 41.25 40.22 2e9h s ASN 111 CO 0.82 0.33 1.08 -0.81 -2.57 0.00 0.00 177.10 175.95 2e9h n PRO 112 N 2.46 0.49 -3.46 -0.60 -0.04 -1.26 -2.73 135.00 129.86 2e9h n PRO 112 Ca -0.18 0.00 -0.43 0.00 -0.04 0.00 0.00 63.50 62.85 2e9h n PRO 112 Cb 0.53 -1.35 -0.04 0.00 -0.04 0.00 0.00 33.50 32.61 2e9h n PRO 112 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2e9h s GLU 113 N -2.00 3.51 0.19 0.54 0.41 -1.26 -4.82 118.70 115.27 2e9h s GLU 113 Ca 0.16 -2.82 0.01 0.00 -0.41 0.00 0.00 54.97 51.92 2e9h s GLU 113 Cb 0.07 -4.25 -0.05 0.00 -1.78 0.00 0.00 34.13 28.13 2e9h s GLU 113 CO 0.13 -1.25 0.03 0.95 -0.49 0.00 0.00 175.26 174.63 2e9h s THR 114 N -0.52 0.56 0.17 3.63 -4.23 -1.26 -4.03 115.64 109.96 2e9h s THR 114 Ca 0.23 -1.98 0.10 0.00 -1.18 0.00 0.00 61.69 58.85 2e9h s THR 114 Cb -0.11 -2.24 -0.04 0.00 1.34 0.00 0.00 72.50 71.44 2e9h s THR 114 CO -0.08 -0.35 -0.15 -0.62 -0.54 0.00 0.00 174.62 172.88 2e9h s ASP 115 N -3.19 3.95 -0.13 3.99 -1.08 0.27 -4.96 116.67 115.51 2e9h s ASP 115 Ca 0.28 -0.65 -0.00 0.00 -0.52 0.00 0.00 52.55 51.66 2e9h s ASP 115 Cb 0.07 -0.56 0.02 0.00 -1.46 0.00 0.00 42.92 41.00 2e9h s ASP 115 CO 0.06 0.13 -0.11 -0.76 0.52 0.00 0.00 175.17 175.01 2e9h s LEU 116 N -2.61 1.46 0.02 -1.34 1.43 -1.26 -0.23 118.68 116.15 2e9h s LEU 116 Ca 0.22 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 52.91 2e9h s LEU 116 Cb -0.09 -1.01 -0.04 0.00 0.03 0.00 0.00 46.19 45.08 2e9h s LEU 116 CO 0.12 -0.09 0.07 -1.00 0.23 0.00 0.00 176.35 175.69 2e9h s HIS 117 N 1.60 3.24 -0.02 0.29 3.76 0.26 -4.97 115.29 119.44 2e9h s HIS 117 Ca 0.05 0.16 0.05 0.00 -0.15 0.00 0.00 55.06 55.17 2e9h s HIS 117 Cb -0.13 -1.70 -0.01 0.00 1.11 0.00 0.00 32.58 31.85 2e9h s HIS 117 CO -0.09 0.53 -0.18 0.54 -0.85 0.00 0.00 174.74 174.69 2e9h s VAL 118 N -1.24 1.44 -0.25 -0.90 0.11 -1.26 -2.03 120.40 116.27 2e9h s VAL 118 Ca 0.24 -0.76 0.00 0.00 -2.93 0.00 0.00 61.98 58.53 2e9h s VAL 118 Cb -0.12 -1.20 0.07 0.00 -1.53 0.00 0.00 36.38 33.60 2e9h s VAL 118 CO 0.16 0.41 -0.01 0.21 -3.33 0.00 0.00 175.10 172.54 2e9h s ASN 119 N -0.32 3.77 0.18 3.54 3.04 -0.90 -5.00 114.94 119.25 2e9h s ASN 119 Ca 0.05 -1.25 -0.06 0.00 0.04 0.00 0.00 52.86 51.63 2e9h s ASN 119 Cb -0.08 -1.05 0.09 0.00 -1.54 0.00 0.00 41.25 38.66 2e9h s ASN 119 CO -0.00 -0.29 1.53 1.55 -3.04 0.00 0.00 177.10 176.85 2e9h h PRO 120 N 8.00 0.75 0.39 0.43 0.13 -1.90 0.62 132.00 140.43 2e9h h PRO 120 Ca -0.16 -0.39 -0.02 0.00 -0.87 0.00 0.00 66.00 64.56 2e9h h PRO 120 Cb 1.07 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2e9h h PRO 120 CO 0.41 1.01 -0.19 -0.22 -0.23 0.00 0.00 178.00 178.79 2e9h h LYS 121 N 0.61 -0.51 0.00 0.86 3.11 -1.98 -3.20 116.57 115.47 2e9h h LYS 121 Ca 0.05 0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.92 2e9h h LYS 121 Cb 0.95 0.11 0.00 0.00 -1.00 0.00 0.00 32.23 32.30 2e9h h LYS 121 CO 0.09 -0.20 0.00 0.87 -2.81 0.00 0.00 179.45 177.40 2e9h h LYS 122 N -0.95 0.00 -5.90 1.90 1.79 -1.99 -3.47 116.57 107.94 2e9h h LYS 122 Ca -0.05 0.00 -0.39 0.00 -2.18 0.00 0.00 60.65 58.03 2e9h h LYS 122 Cb 0.54 0.00 0.10 0.00 -1.58 0.00 0.00 32.23 31.30 2e9h h LYS 122 CO 0.09 0.00 -0.76 1.04 -1.08 0.00 0.00 179.45 178.74 2e9h n GLN 123 N -2.77 -6.46 -4.07 3.15 1.13 0.21 -5.00 117.38 103.57 2e9h n GLN 123 Ca 0.03 0.75 -0.14 0.00 -1.94 0.00 0.00 57.00 55.71 2e9h n GLN 123 Cb 0.40 -5.66 -0.11 0.00 0.11 0.00 0.00 30.24 24.97 2e9h n GLN 123 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2e9h s THR 124 N -3.41 0.60 -0.16 5.09 -4.23 -1.00 -4.99 115.64 107.53 2e9h s THR 124 Ca 0.26 -1.10 -0.02 0.00 -1.18 0.00 0.00 61.69 59.66 2e9h s THR 124 Cb -0.12 -0.65 -0.02 0.00 1.34 0.00 0.00 72.50 73.05 2e9h s THR 124 CO 0.76 -0.36 -0.09 -0.63 -0.54 0.00 0.00 174.62 173.77 2e9h s ILE 125 N -1.36 3.32 -0.08 2.99 1.01 -1.26 -2.11 121.20 123.71 2e9h s ILE 125 Ca -0.09 -0.55 -0.00 0.00 0.00 0.00 0.00 60.65 60.00 2e9h s ILE 125 Cb -0.10 -2.44 0.03 0.00 0.01 0.00 0.00 42.46 39.95 2e9h s ILE 125 CO 0.01 0.49 -0.03 -0.83 0.00 0.00 0.00 174.94 174.57 2e9h s GLY 126 N 0.67 0.58 0.14 6.18 0.00 -0.86 0.65 107.32 114.69 2e9h s GLY 126 Ca -0.05 -0.24 -0.10 0.00 0.00 0.00 0.00 44.72 44.34 2e9h s GLY 126 CO 0.02 0.86 0.46 0.54 0.00 0.00 0.00 173.10 174.99 2e9h s ASN 127 N 1.63 6.64 -0.14 1.64 4.22 -0.97 -0.57 114.94 127.38 2e9h s ASN 127 Ca 0.01 0.84 -0.01 0.00 -2.14 0.00 0.00 52.86 51.56 2e9h s ASN 127 Cb -0.13 -2.19 0.03 0.00 1.28 0.00 0.00 41.25 40.24 2e9h s ASN 127 CO -0.05 0.07 -0.06 -0.94 -2.04 0.00 0.00 177.10 174.09 2e9h s SER 128 N -2.04 2.52 0.46 3.54 1.04 0.69 -2.72 113.70 117.19 2e9h s SER 128 Ca 0.39 -0.50 -0.06 0.00 0.48 0.00 0.00 55.95 56.27 2e9h s SER 128 Cb -0.13 -0.85 -0.04 0.00 0.10 0.00 0.00 66.02 65.10 2e9h s SER 128 CO 0.20 -0.16 0.77 0.00 0.98 0.00 0.00 173.24 175.03 2e9h n LYS 130 N -2.06 2.47 0.32 0.00 4.76 -1.26 -3.78 118.16 118.62 2e9h n LYS 130 Ca 0.01 -0.01 -0.17 0.00 -2.87 0.00 0.00 58.31 55.26 2e9h n LYS 130 Cb 0.55 -1.08 -0.09 0.00 -1.84 0.00 0.00 35.03 32.57 2e9h n LYS 130 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2e9h h ALA 131 N 0.20 -0.93 0.00 7.82 0.00 -1.96 -3.34 119.26 121.05 2e9h h ALA 131 Ca -0.06 -0.18 -0.19 0.00 0.00 0.00 0.00 54.91 54.48 2e9h h ALA 131 Cb 0.88 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 19.12 2e9h h ALA 131 CO 0.00 -1.04 -1.92 0.00 0.00 0.00 0.00 179.25 176.29 2e9h n GLY 133 N 1.95 0.50 3.57 0.00 0.00 -1.25 -5.08 105.19 104.88 2e9h n GLY 133 Ca -0.18 -0.21 -0.36 0.00 0.00 0.00 0.00 46.02 45.28 2e9h n GLY 133 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2e9h s TYR 134 N -1.86 3.19 -0.11 1.61 6.14 -1.25 -4.90 117.35 120.17 2e9h s TYR 134 Ca 0.00 -0.07 0.02 0.00 0.64 0.00 0.00 57.07 57.66 2e9h s TYR 134 Cb 0.00 -2.16 0.01 0.00 0.42 0.00 0.00 41.96 40.23 2e9h s TYR 134 CO 0.00 -0.04 -0.16 0.50 0.64 0.00 0.00 175.55 176.49 2e9h s ARG 135 N 0.92 2.28 -0.04 4.97 3.52 -1.26 -1.26 118.95 128.08 2e9h s ARG 135 Ca 0.04 -0.59 -0.30 0.00 -0.13 0.00 0.00 55.73 54.76 2e9h s ARG 135 Cb -0.14 -1.92 0.08 0.00 -1.56 0.00 0.00 34.95 31.42 2e9h s ARG 135 CO 0.03 -0.04 0.73 0.20 -0.81 0.00 0.00 175.30 175.40 2e9h s GLY 136 N 0.93 -0.53 -0.09 8.12 0.00 -1.10 -5.04 107.32 109.60 2e9h s GLY 136 Ca -0.08 1.32 -0.30 0.00 0.00 0.00 0.00 44.72 45.67 2e9h s GLY 136 CO -0.01 0.86 1.13 1.06 0.00 0.00 0.00 173.10 176.14 2e9h s MET 137 N -1.54 4.36 0.45 2.90 -1.94 -1.26 -2.30 119.30 119.97 2e9h s MET 137 Ca -0.08 1.56 -0.23 0.00 -1.71 0.00 0.00 55.69 55.23 2e9h s MET 137 Cb -0.00 -3.57 -0.08 0.00 2.01 0.00 0.00 34.83 33.19 2e9h s MET 137 CO 0.05 -0.44 1.14 -0.51 -0.01 0.00 0.00 175.02 175.25 2e9h s LEU 138 N 2.31 4.01 -0.59 -0.03 1.43 0.21 -4.95 118.68 121.08 2e9h s LEU 138 Ca 0.52 2.23 -0.02 0.00 -1.03 0.00 0.00 54.13 55.84 2e9h s LEU 138 Cb -0.22 -4.26 0.15 0.00 0.03 0.00 0.00 46.19 41.89 2e9h s LEU 138 CO 0.19 -0.85 0.39 -1.81 0.23 0.00 0.00 176.35 174.50 2e9h s ASP 139 N -1.45 5.09 0.05 2.29 1.11 -1.26 -4.60 116.67 117.90 2e9h s ASP 139 Ca 0.63 -2.81 0.08 0.00 0.18 0.00 0.00 52.55 50.63 2e9h s ASP 139 Cb -0.27 -1.81 -0.03 0.00 1.07 0.00 0.00 42.92 41.88 2e9h s ASP 139 CO 0.32 -0.36 -0.19 -0.89 1.18 0.00 0.00 175.17 175.23 2e9h s THR 140 N -0.00 2.70 0.38 -1.27 2.01 -1.26 -5.10 115.64 113.10 2e9h s THR 140 Ca 0.16 -1.26 -0.27 0.00 0.31 0.00 0.00 61.69 60.63 2e9h s THR 140 Cb -0.21 -2.14 -0.11 0.00 0.01 0.00 0.00 72.50 70.05 2e9h s THR 140 CO -0.03 0.31 1.31 0.00 -0.69 0.00 0.00 174.62 175.52 2e9h n HIS 141 N 1.48 2.33 -0.19 4.92 1.44 -1.26 -4.56 115.22 119.39 2e9h n HIS 141 Ca -0.16 0.51 0.30 0.00 -2.01 0.00 0.00 57.72 56.36 2e9h n HIS 141 Cb 0.52 -2.42 0.68 0.00 0.12 0.00 0.00 29.99 28.90 2e9h n HIS 141 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2e9h h HIS 142 N 2.41 0.00 -0.61 -1.40 3.86 -1.99 -0.33 115.15 117.09 2e9h h HIS 142 Ca -0.48 0.00 0.12 0.00 -1.16 0.00 0.00 60.37 58.86 2e9h h HIS 142 Cb 1.28 0.00 -0.12 0.00 1.06 0.00 0.00 27.41 29.63 2e9h h HIS 142 CO 0.50 0.00 -0.19 0.87 0.86 0.00 0.00 177.93 179.97 2e9h h LYS 143 N 0.00 -0.03 0.00 2.45 6.56 -2.00 0.05 116.57 123.60 2e9h h LYS 143 Ca 0.45 0.00 -0.31 0.00 -1.06 0.00 0.00 60.65 59.73 2e9h h LYS 143 Cb 2.14 0.01 -0.05 0.00 -0.57 0.00 0.00 32.23 33.76 2e9h h LYS 143 CO -0.00 -0.02 -1.72 -0.11 -2.06 0.00 0.00 179.45 175.53 2e9h n LEU 144 N -5.43 1.90 -0.32 2.94 7.94 -0.22 -4.18 117.00 119.63 2e9h n LEU 144 Ca 0.07 0.40 0.03 0.00 -1.11 0.00 0.00 56.01 55.39 2e9h n LEU 144 Cb 0.33 -0.90 0.10 0.00 0.53 0.00 0.00 43.42 43.48 2e9h n LEU 144 CO 0.04 0.36 0.67 0.00 -1.11 0.00 0.00 177.39 177.34 2e9h h THR 146 N -0.01 0.70 0.31 0.00 2.02 -1.19 -0.49 112.91 114.25 2e9h h THR 146 Ca 0.41 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.48 2e9h h THR 146 Cb 0.65 0.39 0.00 0.00 -1.74 0.00 0.00 68.15 67.45 2e9h h THR 146 CO -0.92 0.05 -0.15 0.15 0.37 0.00 0.00 175.52 175.02 2e9h h PHE 147 N 0.28 -0.39 -0.79 3.16 3.04 -0.46 -1.13 116.94 120.65 2e9h h PHE 147 Ca 0.29 -0.01 0.16 0.00 3.98 0.00 0.00 57.97 62.39 2e9h h PHE 147 Cb 0.39 0.13 -0.10 0.00 2.56 0.00 0.00 35.95 38.93 2e9h h PHE 147 CO -0.22 -0.15 0.32 0.82 -2.02 0.00 0.00 178.31 177.06 2e9h h ILE 148 N -0.55 0.61 -0.62 1.41 2.04 -0.60 0.40 117.51 120.22 2e9h h ILE 148 Ca -0.04 -0.15 -0.09 0.00 1.00 0.00 0.00 64.86 65.57 2e9h h ILE 148 Cb 0.40 0.14 -0.02 0.00 -0.74 0.00 0.00 36.82 36.60 2e9h h ILE 148 CO 0.07 0.08 0.02 -0.07 0.00 0.00 0.00 178.15 178.25 2e9h h LEU 149 N 0.44 1.05 -0.28 1.44 3.38 -0.95 -3.05 115.31 117.34 2e9h h LEU 149 Ca 0.45 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2e9h h LEU 149 Cb 0.72 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2e9h h LEU 149 CO -0.43 1.09 0.15 0.11 0.09 0.00 0.00 178.44 179.45 2e9h h LYS 150 N 0.98 0.38 -4.00 1.13 1.79 0.31 -3.39 116.57 113.77 2e9h h LYS 150 Ca 0.18 -0.04 -0.61 0.00 -2.18 0.00 0.00 60.65 57.99 2e9h h LYS 150 Cb 0.54 -0.08 -0.40 0.00 -1.58 0.00 0.00 32.23 30.72 2e9h h LYS 150 CO 0.03 0.33 -0.74 0.54 -1.08 0.00 0.00 179.45 178.53 2e9h s ASN 151 N -5.56 4.29 0.95 0.86 2.20 -0.12 -5.10 114.94 112.46 2e9h s ASN 151 Ca -0.13 -1.81 -0.12 0.00 -0.94 0.00 0.00 52.86 49.86 2e9h s ASN 151 Cb 0.09 -1.16 0.16 0.00 -2.00 0.00 0.00 41.25 38.34 2e9h s ASN 151 CO 0.71 -0.40 1.09 -2.16 -2.94 0.00 0.00 177.10 173.41 2e9h s PRO 152 N 1.35 0.81 0.67 3.55 0.04 -1.16 -4.58 135.00 135.66 2e9h s PRO 152 Ca 0.10 0.66 -0.15 0.00 0.04 0.00 0.00 61.00 61.65 2e9h s PRO 152 Cb -0.18 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.59 2e9h s PRO 152 CO -0.18 -2.51 1.11 -1.25 0.04 0.00 0.00 177.00 174.21 2e9h s PRO 153 N -4.95 2.77 1.03 0.56 0.04 -1.26 -5.00 135.00 128.18 2e9h s PRO 153 Ca 0.64 1.37 -0.13 0.00 0.04 0.00 0.00 61.00 62.93 2e9h s PRO 153 Cb -0.18 -1.95 0.13 0.00 0.04 0.00 0.00 34.50 32.54 2e9h s PRO 153 CO 0.57 -1.27 0.65 0.39 0.04 0.00 0.00 177.00 177.38 2e9h n GLU 154 N -2.49 -1.07 -2.03 4.56 -0.58 -1.26 -4.95 120.64 112.82 2e9h n GLU 154 Ca 0.10 -0.27 -0.26 0.00 -0.42 0.00 0.00 57.16 56.31 2e9h n GLU 154 Cb 0.52 -2.03 0.02 0.00 -0.57 0.00 0.00 31.44 29.39 2e9h n GLU 154 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2e9h n ASN 155 N -2.94 5.26 -4.00 1.62 2.85 -1.26 -5.01 115.26 111.79 2e9h n ASN 155 Ca 0.06 -3.75 -0.11 0.00 -0.11 0.00 0.00 54.58 50.67 2e9h n ASN 155 Cb 0.55 -0.45 -0.12 0.00 1.24 0.00 0.00 39.78 41.00 2e9h n ASN 155 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 2e9h s SER 156 N -3.32 0.46 0.00 1.20 1.04 -1.26 -5.36 113.70 106.45 2e9h s SER 156 Ca 0.52 -0.45 0.29 0.00 0.48 0.00 0.00 55.95 56.79 2e9h s SER 156 Cb 0.42 0.06 1.27 0.00 0.10 0.00 0.00 66.02 67.87 2e9h s SER 156 CO -0.02 -0.22 1.87 -0.67 0.98 0.00 0.00 173.24 175.17