#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vdy s SER 2 N 0.00 0.67 0.57 1.61 0.01 -1.26 -5.16 113.70 110.14 1vdy s SER 2 Ca 0.00 -0.04 -0.18 0.00 1.31 0.00 0.00 55.95 57.04 1vdy s SER 2 Cb 0.00 -0.27 -0.04 0.00 0.21 0.00 0.00 66.02 65.91 1vdy s SER 2 CO 0.00 -0.11 1.08 -0.94 0.41 0.00 0.00 173.24 173.68 1vdy s SER 3 N 1.18 5.74 0.00 2.44 1.04 -1.26 -3.90 113.70 118.94 1vdy s SER 3 Ca -0.08 1.97 0.00 0.00 0.48 0.00 0.00 55.95 58.33 1vdy s SER 3 Cb -0.13 -2.56 0.00 0.00 0.10 0.00 0.00 66.02 63.43 1vdy s SER 3 CO -0.02 -1.20 0.00 0.61 0.98 0.00 0.00 173.24 173.61 1vdy n GLY 4 N -0.42 0.00 3.71 7.32 0.00 -1.26 -4.98 105.19 109.56 1vdy n GLY 4 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1vdy n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vdy s SER 5 N -1.89 3.21 -0.14 1.61 0.01 -1.25 -5.05 113.70 110.20 1vdy s SER 5 Ca 0.00 1.39 0.00 0.00 1.31 0.00 0.00 55.95 58.65 1vdy s SER 5 Cb 0.00 -2.06 -0.01 0.00 0.21 0.00 0.00 66.02 64.16 1vdy s SER 5 CO 0.00 -2.79 -0.15 -0.55 0.41 0.00 0.00 173.24 170.16 1vdy s SER 6 N -3.44 3.76 0.00 2.44 0.15 -1.26 -4.68 113.70 110.66 1vdy s SER 6 Ca 0.64 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.87 1vdy s SER 6 Cb -0.18 -1.57 0.00 0.00 -1.71 0.00 0.00 66.02 62.56 1vdy s SER 6 CO 0.57 0.13 0.00 0.61 1.20 0.00 0.00 173.24 175.75 1vdy n GLY 7 N 3.77 0.97 0.09 9.45 0.00 -1.26 -5.03 105.19 113.17 1vdy n GLY 7 Ca -0.19 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.90 1vdy n GLY 7 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1vdy n GLU 8 N 0.00 0.09 -0.22 1.61 2.13 -1.26 -3.86 120.64 119.13 1vdy n GLU 8 Ca 0.00 0.53 0.03 0.00 0.66 0.00 0.00 57.16 58.38 1vdy n GLU 8 Cb 0.00 -1.75 0.08 0.00 0.27 0.00 0.00 31.44 30.04 1vdy n GLU 8 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1vdy n SER 9 N -1.93 -0.23 -0.17 4.31 3.41 -1.26 -1.78 113.62 115.96 1vdy n SER 9 Ca -0.00 1.03 0.00 0.00 -0.26 0.00 0.00 58.87 59.64 1vdy n SER 9 Cb 0.06 -0.30 0.03 0.00 -0.26 0.00 0.00 64.21 63.74 1vdy n SER 9 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1vdy n TYR 10 N -4.96 0.05 0.26 7.33 4.19 -1.25 -0.87 117.16 121.92 1vdy n TYR 10 Ca 0.09 0.57 -0.17 0.00 3.31 0.00 0.00 57.90 61.70 1vdy n TYR 10 Cb 0.29 -0.70 -0.09 0.00 0.49 0.00 0.00 39.34 39.33 1vdy n TYR 10 CO 0.00 0.00 0.00 2.35 0.91 0.00 0.00 176.86 180.12 1vdy h TRP 11 N 0.00 -1.36 -0.35 2.98 -0.00 -1.70 0.16 115.95 115.69 1vdy h TRP 11 Ca 0.18 0.01 0.00 0.00 -0.00 0.00 0.00 58.89 59.08 1vdy h TRP 11 Cb 0.29 0.53 -0.02 0.00 -0.00 0.00 0.00 29.16 29.97 1vdy h TRP 11 CO -0.39 -0.64 0.23 0.00 -0.00 0.00 0.00 178.44 177.64 1vdy h ARG 12 N -0.94 0.46 -0.01 2.65 3.08 -1.20 -2.93 114.38 115.49 1vdy h ARG 12 Ca -0.06 -0.03 0.03 0.00 0.07 0.00 0.00 59.98 60.00 1vdy h ARG 12 Cb 0.83 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.74 1vdy h ARG 12 CO -0.08 0.30 -0.19 0.77 -1.07 0.00 0.00 179.97 179.70 1vdy h SER 13 N 0.47 -0.56 -0.69 7.04 0.02 -0.95 -3.11 113.55 115.78 1vdy h SER 13 Ca 0.13 0.08 0.09 0.00 -0.84 0.00 0.00 61.79 61.25 1vdy h SER 13 Cb -0.06 0.24 -0.07 0.00 0.14 0.00 0.00 62.40 62.65 1vdy h SER 13 CO -0.03 -0.26 0.33 0.03 -1.14 0.00 0.00 176.83 175.77 1vdy h ARG 14 N -0.30 0.54 -0.41 3.45 2.47 -0.52 -0.06 114.38 119.54 1vdy h ARG 14 Ca 0.06 -0.03 0.03 0.00 -1.26 0.00 0.00 59.98 58.78 1vdy h ARG 14 Cb 0.38 -0.12 -0.03 0.00 -1.65 0.00 0.00 29.97 28.55 1vdy h ARG 14 CO -0.19 0.36 0.21 0.52 0.56 0.00 0.00 179.97 181.44 1vdy h MET 15 N 0.56 0.42 0.06 0.04 2.86 -1.45 0.14 114.93 117.56 1vdy h MET 15 Ca 0.34 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.95 1vdy h MET 15 Cb 0.37 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.93 1vdy h MET 15 CO -0.27 0.28 -0.03 0.82 1.06 0.00 0.00 176.91 178.76 1vdy h ILE 16 N 0.43 1.14 -0.84 -1.22 1.08 -1.51 -3.02 117.51 113.56 1vdy h ILE 16 Ca 0.17 -0.69 0.18 0.00 -0.39 0.00 0.00 64.86 64.13 1vdy h ILE 16 Cb 0.07 1.59 -0.06 0.00 -3.07 0.00 0.00 36.82 35.35 1vdy h ILE 16 CO -0.11 0.17 0.56 -0.78 -0.69 0.00 0.00 178.15 177.30 1vdy h ASP 17 N -0.39 0.39 1.11 1.72 1.82 -0.64 0.69 116.42 121.11 1vdy h ASP 17 Ca -0.01 0.03 -0.01 0.00 -0.39 0.00 0.00 57.03 56.66 1vdy h ASP 17 Cb 0.35 -0.04 -0.00 0.00 0.68 0.00 0.00 39.33 40.31 1vdy h ASP 17 CO 0.01 0.18 -0.03 0.00 -1.61 0.00 0.00 179.24 177.79 1vdy h ALA 18 N 1.62 1.00 0.00 -0.78 0.00 -0.60 0.91 119.26 121.42 1vdy h ALA 18 Ca 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1vdy h ALA 18 Cb 1.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1vdy h ALA 18 CO -0.15 0.04 -1.35 1.33 0.00 0.00 0.00 179.25 179.12 1vdy n VAL 19 N -3.13 0.00 -1.38 0.00 0.24 -0.70 -4.46 118.33 108.90 1vdy n VAL 19 Ca 0.01 -0.26 -0.04 0.00 -2.04 0.00 0.00 64.34 62.01 1vdy n VAL 19 Cb 0.34 0.37 0.21 0.00 -1.47 0.00 0.00 33.84 33.29 1vdy n VAL 19 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1vdy n THR 20 N -1.79 2.56 -1.66 3.34 -2.24 0.15 -4.81 114.28 109.83 1vdy n THR 20 Ca -0.01 -2.58 -0.37 0.00 -2.27 0.00 0.00 64.05 58.81 1vdy n THR 20 Cb 0.28 -0.32 0.06 0.00 -2.10 0.00 0.00 70.33 68.25 1vdy n THR 20 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1vdy n SER 21 N -1.05 1.28 -1.53 3.42 7.64 0.30 -4.73 113.62 118.96 1vdy n SER 21 Ca 0.33 0.82 0.00 0.00 1.01 0.00 0.00 58.87 61.03 1vdy n SER 21 Cb 1.06 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.81 1vdy n SER 21 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1vdy n ASP 22 N -1.19 3.81 -3.83 6.43 5.75 -1.26 -4.51 116.55 121.74 1vdy n ASP 22 Ca 0.14 -1.99 -0.13 0.00 -0.01 0.00 0.00 54.79 52.80 1vdy n ASP 22 Cb 0.48 -0.79 -0.14 0.00 -1.03 0.00 0.00 41.12 39.63 1vdy n ASP 22 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1vdy s GLU 23 N 0.44 0.01 0.02 0.11 2.56 -1.26 -5.01 118.70 115.57 1vdy s GLU 23 Ca 0.00 0.09 0.04 0.00 0.00 0.00 0.00 54.97 55.10 1vdy s GLU 23 Cb 0.00 -0.06 0.18 0.00 2.00 0.00 0.00 34.13 36.25 1vdy s GLU 23 CO 0.00 -0.05 1.12 -0.40 -0.56 0.00 0.00 175.26 175.37 1vdy n ASP 24 N 3.40 0.04 -4.40 -1.70 5.75 -1.26 -4.77 116.55 113.62 1vdy n ASP 24 Ca -0.17 0.52 -0.54 0.00 -0.01 0.00 0.00 54.79 54.59 1vdy n ASP 24 Cb 0.57 -0.52 -0.08 0.00 -1.03 0.00 0.00 41.12 40.05 1vdy n ASP 24 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 1vdy n LYS 25 N -1.55 0.78 -1.61 0.11 0.00 -1.26 -4.84 118.16 109.79 1vdy n LYS 25 Ca 0.01 0.22 -0.46 0.00 0.00 0.00 0.00 58.31 58.08 1vdy n LYS 25 Cb 0.03 -2.18 -0.02 0.00 0.00 0.00 0.00 35.03 32.86 1vdy n LYS 25 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 1vdy n VAL 26 N 6.90 1.52 -2.49 3.15 3.14 -1.26 -4.94 118.33 124.35 1vdy n VAL 26 Ca 0.44 -0.38 -0.42 0.00 -2.96 0.00 0.00 64.34 61.02 1vdy n VAL 26 Cb 0.15 -1.09 -0.03 0.00 -1.06 0.00 0.00 33.84 31.81 1vdy n VAL 26 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1vdy s ALA 27 N -0.66 3.34 0.69 1.55 0.00 -1.26 -5.06 121.76 120.36 1vdy s ALA 27 Ca 0.64 0.77 -0.11 0.00 0.00 0.00 0.00 51.96 53.25 1vdy s ALA 27 Cb -0.72 -3.42 0.01 0.00 0.00 0.00 0.00 23.12 18.98 1vdy s ALA 27 CO 0.56 -0.40 1.08 -1.25 0.00 0.00 0.00 175.76 175.75 1vdy s PRO 28 N 1.10 2.96 -0.02 0.00 0.04 -1.26 -5.02 135.00 132.79 1vdy s PRO 28 Ca 0.57 0.61 -0.24 0.00 0.04 0.00 0.00 61.00 61.98 1vdy s PRO 28 Cb -0.27 -2.02 -0.18 0.00 0.04 0.00 0.00 34.50 32.07 1vdy s PRO 28 CO 0.29 -1.00 1.16 0.28 0.04 0.00 0.00 177.00 177.77 1vdy h VAL 29 N -0.63 1.00 -0.98 -0.36 2.07 -2.01 -3.30 116.25 112.02 1vdy h VAL 29 Ca -0.45 -0.92 0.26 0.00 0.82 0.00 0.00 66.70 66.40 1vdy h VAL 29 Cb 1.23 1.54 -0.07 0.00 -1.52 0.00 0.00 31.29 32.48 1vdy h VAL 29 CO 0.62 0.21 0.67 0.10 0.02 0.00 0.00 177.57 179.18 1vdy h TYR 30 N -0.67 0.39 -0.03 1.57 -0.00 -1.99 0.89 116.97 117.13 1vdy h TYR 30 Ca -0.02 0.01 -0.13 0.00 0.00 0.00 0.00 58.73 58.59 1vdy h TYR 30 Cb 0.49 -0.11 -0.02 0.00 0.00 0.00 0.00 36.73 37.09 1vdy h TYR 30 CO 0.06 0.06 -0.59 0.87 -0.00 0.00 0.00 178.16 178.57 1vdy h LYS 31 N 0.26 0.09 -0.33 0.10 1.57 -1.98 -2.72 116.57 113.56 1vdy h LYS 31 Ca 0.51 -0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 59.08 1vdy h LYS 31 Cb 1.55 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.86 1vdy h LYS 31 CO -0.15 0.65 -0.40 -0.07 -0.57 0.00 0.00 179.45 178.91 1vdy h LEU 32 N 0.07 0.85 -1.01 2.94 3.38 -0.96 -3.12 115.31 117.47 1vdy h LEU 32 Ca -0.01 -0.39 0.02 0.00 0.09 0.00 0.00 57.88 57.60 1vdy h LEU 32 Cb 1.06 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.52 1vdy h LEU 32 CO 0.08 1.14 0.67 -0.33 0.09 0.00 0.00 178.44 180.09 1vdy h GLU 33 N 0.65 1.29 -0.17 1.13 5.08 -1.26 -1.44 114.58 119.86 1vdy h GLU 33 Ca 0.05 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1vdy h GLU 33 Cb 0.96 -0.29 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 1vdy h GLU 33 CO 0.09 0.85 0.11 0.93 -1.00 0.00 0.00 179.01 180.00 1vdy h GLU 34 N 1.33 0.22 0.49 2.33 5.08 -1.42 -0.23 114.58 122.38 1vdy h GLU 34 Ca 0.38 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.71 1vdy h GLU 34 Cb -0.09 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.11 1vdy h GLU 34 CO -0.10 0.15 -0.24 0.82 -1.00 0.00 0.00 179.01 178.64 1vdy h ILE 35 N 0.23 0.49 0.00 3.13 2.04 -1.47 -0.63 117.51 121.31 1vdy h ILE 35 Ca 0.06 -0.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.71 1vdy h ILE 35 Cb -0.02 0.58 -0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1vdy h ILE 35 CO -0.02 0.04 -0.01 0.00 0.00 0.00 0.00 178.15 178.15 1vdy h ASP 37 N 0.00 0.00 -0.73 0.00 5.19 -0.90 -3.32 116.42 116.66 1vdy h ASP 37 Ca -0.00 -0.62 0.08 0.00 -0.62 0.00 0.00 57.03 55.87 1vdy h ASP 37 Cb 0.08 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.54 1vdy h ASP 37 CO 0.00 0.99 0.48 -0.07 -3.12 0.00 0.00 179.24 177.52 1vdy h LEU 38 N -1.00 0.63 -1.33 1.55 3.38 -0.79 -1.06 115.31 116.69 1vdy h LEU 38 Ca -0.07 0.01 0.08 0.00 0.09 0.00 0.00 57.88 57.98 1vdy h LEU 38 Cb 0.83 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.40 1vdy h LEU 38 CO -0.05 0.40 0.51 -0.07 0.09 0.00 0.00 178.44 179.32 1vdy h LEU 39 N 0.71 0.70 0.00 1.67 3.38 -1.13 -1.40 115.31 119.25 1vdy h LEU 39 Ca 0.33 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 58.16 1vdy h LEU 39 Cb 0.35 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 1vdy h LEU 39 CO -0.11 0.44 -1.19 0.03 0.09 0.00 0.00 178.44 177.70 1vdy h ARG 40 N 0.79 0.00 -0.73 1.13 3.08 -1.33 -3.31 114.38 114.02 1vdy h ARG 40 Ca 0.34 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.37 1vdy h ARG 40 Cb 0.32 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.35 1vdy h ARG 40 CO -0.12 0.31 0.03 0.43 -1.07 0.00 0.00 179.97 179.54 1vdy n SER 41 N -2.94 4.28 -4.25 7.04 7.64 -0.65 -4.91 113.62 119.83 1vdy n SER 41 Ca -0.06 -2.68 -0.14 0.00 1.01 0.00 0.00 58.87 56.99 1vdy n SER 41 Cb 0.79 -0.64 -0.10 0.00 -1.01 0.00 0.00 64.21 63.25 1vdy n SER 41 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 1vdy s SER 42 N -0.55 1.19 0.66 6.43 0.01 -0.59 -4.97 113.70 115.89 1vdy s SER 42 Ca 0.38 -1.22 -0.13 0.00 1.31 0.00 0.00 55.95 56.30 1vdy s SER 42 Cb 0.29 0.13 -0.01 0.00 0.21 0.00 0.00 66.02 66.65 1vdy s SER 42 CO 0.11 -0.60 1.07 -2.28 0.41 0.00 0.00 173.24 171.94 1vdy s HIS 43 N -3.68 2.96 0.36 2.43 2.46 -1.26 -4.93 115.29 113.62 1vdy s HIS 43 Ca 0.27 1.49 0.11 0.00 0.47 0.00 0.00 55.06 57.40 1vdy s HIS 43 Cb 0.06 -2.98 0.89 0.00 -0.13 0.00 0.00 32.58 30.43 1vdy s HIS 43 CO 0.06 -1.29 1.83 -0.24 -2.47 0.00 0.00 174.74 172.63 1vdy h VAL 44 N -0.21 0.73 -0.85 0.89 3.04 -1.99 -0.67 116.25 117.19 1vdy h VAL 44 Ca -0.45 -0.21 0.15 0.00 -1.01 0.00 0.00 66.70 65.18 1vdy h VAL 44 Cb 1.22 0.06 -0.06 0.00 -2.01 0.00 0.00 31.29 30.50 1vdy h VAL 44 CO 0.56 0.11 0.55 0.28 -1.01 0.00 0.00 177.57 178.07 1vdy h SER 45 N 0.61 0.54 -0.26 3.17 0.02 -1.99 0.83 113.55 116.47 1vdy h SER 45 Ca 0.50 0.03 -0.19 0.00 -0.84 0.00 0.00 61.79 61.30 1vdy h SER 45 Cb 0.96 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.44 1vdy h SER 45 CO -0.25 0.27 -0.59 0.40 -1.14 0.00 0.00 176.83 175.51 1vdy h ILE 46 N 0.57 1.27 -0.39 3.27 1.08 -1.48 -1.27 117.51 120.56 1vdy h ILE 46 Ca 0.43 -1.78 -0.01 0.00 -0.39 0.00 0.00 64.86 63.10 1vdy h ILE 46 Cb 0.81 1.70 -0.02 0.00 -3.07 0.00 0.00 36.82 36.25 1vdy h ILE 46 CO -0.17 0.58 0.19 0.58 -0.69 0.00 0.00 178.15 178.63 1vdy h VAL 47 N 0.64 1.17 0.11 1.67 2.07 -0.90 0.56 116.25 121.57 1vdy h VAL 47 Ca -0.00 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.05 1vdy h VAL 47 Cb 1.21 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 1vdy h VAL 47 CO 0.13 0.18 -0.09 0.11 0.02 0.00 0.00 177.57 177.92 1vdy h LYS 48 N 0.49 -0.21 -0.15 1.57 1.57 -0.99 -1.66 116.57 117.20 1vdy h LYS 48 Ca 0.13 0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.95 1vdy h LYS 48 Cb 0.11 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1vdy h LYS 48 CO -0.02 -0.14 0.02 0.93 -0.57 0.00 0.00 179.45 179.68 1vdy h GLU 49 N -0.21 0.08 -0.87 3.15 4.39 -1.00 -1.91 114.58 118.20 1vdy h GLU 49 Ca -0.00 -0.00 0.09 0.00 0.34 0.00 0.00 59.36 59.78 1vdy h GLU 49 Cb 0.19 -0.02 -0.06 0.00 -0.10 0.00 0.00 28.75 28.77 1vdy h GLU 49 CO -0.01 0.05 0.56 0.74 -1.16 0.00 0.00 179.01 179.20 1vdy h PHE 50 N 0.08 0.94 -0.50 4.33 0.04 -0.73 -1.66 116.94 119.44 1vdy h PHE 50 Ca 0.07 0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.91 1vdy h PHE 50 Cb 0.06 -0.30 -0.04 0.00 2.20 0.00 0.00 35.95 37.87 1vdy h PHE 50 CO -0.13 0.45 0.25 0.77 -0.60 0.00 0.00 178.31 179.05 1vdy h SER 51 N 0.88 0.36 -0.19 2.17 0.02 -0.50 -1.74 113.55 114.55 1vdy h SER 51 Ca 0.39 0.03 0.03 0.00 -0.84 0.00 0.00 61.79 61.41 1vdy h SER 51 Cb 0.36 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 62.83 1vdy h SER 51 CO -0.16 0.25 -0.02 -0.33 -1.14 0.00 0.00 176.83 175.43 1vdy h GLU 52 N 0.49 0.04 0.00 3.45 4.39 -1.00 -1.55 114.58 120.40 1vdy h GLU 52 Ca 0.22 -0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.88 1vdy h GLU 52 Cb 0.13 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 1vdy h GLU 52 CO -0.16 0.02 -0.20 0.74 -1.16 0.00 0.00 179.01 178.26 1vdy h PHE 53 N 0.04 0.00 -0.01 4.33 0.04 -1.18 -0.93 116.94 119.23 1vdy h PHE 53 Ca 0.09 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 1vdy h PHE 53 Cb 0.13 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.28 1vdy h PHE 53 CO -0.19 0.20 -0.03 0.82 -0.60 0.00 0.00 178.31 178.51 1vdy h ILE 54 N 0.00 1.48 -0.74 -0.55 2.04 -0.76 -3.15 117.51 115.82 1vdy h ILE 54 Ca -0.00 -1.45 0.03 0.00 1.00 0.00 0.00 64.86 64.43 1vdy h ILE 54 Cb 0.37 2.44 -0.04 0.00 -0.74 0.00 0.00 36.82 38.84 1vdy h ILE 54 CO 0.03 0.38 0.47 -0.07 0.00 0.00 0.00 178.15 178.96 1vdy h LEU 55 N -0.56 0.79 -2.26 1.44 3.38 -1.06 -1.71 115.31 115.33 1vdy h LEU 55 Ca -0.00 -0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.01 1vdy h LEU 55 Cb 0.64 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 1vdy h LEU 55 CO 0.01 0.55 0.20 0.11 0.09 0.00 0.00 178.44 179.39 1vdy h LYS 56 N 0.94 0.00 -0.09 1.13 1.79 -1.20 -0.03 116.57 119.11 1vdy h LYS 56 Ca 0.29 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.67 1vdy h LYS 56 Cb -0.02 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.62 1vdy h LYS 56 CO -0.10 0.00 -0.36 0.00 -1.08 0.00 0.00 179.45 177.91 1vdy h ARG 57 N 0.00 0.18 0.00 3.15 2.47 -1.27 -2.79 114.38 116.12 1vdy h ARG 57 Ca 0.08 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1vdy h ARG 57 Cb 0.46 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.78 1vdy h ARG 57 CO -0.00 0.52 0.00 -0.07 0.56 0.00 0.00 179.97 180.98 1vdy h LEU 58 N 0.15 0.00 -0.72 3.04 3.38 -1.09 -2.76 115.31 117.32 1vdy h LEU 58 Ca 0.02 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 1vdy h LEU 58 Cb 0.71 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 1vdy h LEU 58 CO 0.05 0.00 -0.57 -0.78 0.09 0.00 0.00 178.44 177.23 1vdy h ASP 59 N 0.00 0.23 -2.72 -0.43 3.58 -1.59 -3.47 116.42 112.02 1vdy h ASP 59 Ca 0.00 -0.13 -0.59 0.00 0.42 0.00 0.00 57.03 56.73 1vdy h ASP 59 Cb 0.35 -0.07 0.16 0.00 1.72 0.00 0.00 39.33 41.49 1vdy h ASP 59 CO 0.00 0.75 -0.41 -3.20 -2.88 0.00 0.00 179.24 173.51 1vdy n ASN 60 N -3.89 -1.01 -0.01 2.28 2.85 -1.04 -4.97 115.26 109.47 1vdy n ASN 60 Ca -0.02 0.80 -0.17 0.00 -0.11 0.00 0.00 54.58 55.08 1vdy n ASN 60 Cb 0.59 -1.15 -0.09 0.00 1.24 0.00 0.00 39.78 40.37 1vdy n ASN 60 CO 0.00 0.00 0.00 0.11 -2.11 0.00 0.00 177.26 175.26 1vdy h LYS 61 N 0.48 0.60 -6.37 1.20 1.57 -1.90 -3.45 116.57 108.69 1vdy h LYS 61 Ca -0.44 -0.55 -0.54 0.00 -1.87 0.00 0.00 60.65 57.26 1vdy h LYS 61 Cb 1.40 0.13 0.01 0.00 0.08 0.00 0.00 32.23 33.85 1vdy h LYS 61 CO 0.49 1.17 1.11 -1.12 -0.57 0.00 0.00 179.45 180.52 1vdy s SER 62 N -6.91 6.55 0.53 0.86 0.01 -1.26 -4.89 113.70 108.59 1vdy s SER 62 Ca -0.12 2.50 0.19 0.00 1.31 0.00 0.00 55.95 59.83 1vdy s SER 62 Cb 0.06 -2.54 1.32 0.00 0.21 0.00 0.00 66.02 65.07 1vdy s SER 62 CO 0.86 -0.96 2.11 1.55 0.41 0.00 0.00 173.24 177.21 1vdy h PRO 63 N 9.40 0.00 0.01 12.44 0.13 -1.91 -2.75 132.00 149.32 1vdy h PRO 63 Ca -0.44 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.71 1vdy h PRO 63 Cb 1.21 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.29 1vdy h PRO 63 CO 0.94 0.00 -0.47 0.82 -0.23 0.00 0.00 178.00 179.06 1vdy h ILE 64 N 0.00 0.00 -0.66 -3.56 2.04 -1.90 -2.24 117.51 111.19 1vdy h ILE 64 Ca 0.06 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.05 1vdy h ILE 64 Cb 0.26 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.25 1vdy h ILE 64 CO -0.00 0.00 0.19 0.58 0.00 0.00 0.00 178.15 178.92 1vdy h VAL 65 N -0.60 0.64 0.18 1.67 2.07 -1.72 -1.48 116.25 117.00 1vdy h VAL 65 Ca 0.01 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.42 1vdy h VAL 65 Cb 0.64 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 1vdy h VAL 65 CO -0.31 0.06 -0.29 0.11 0.02 0.00 0.00 177.57 177.16 1vdy h LYS 66 N 0.33 -0.48 -0.83 1.57 1.79 -1.45 -2.22 116.57 115.28 1vdy h LYS 66 Ca 0.35 0.03 0.12 0.00 -2.18 0.00 0.00 60.65 58.97 1vdy h LYS 66 Cb 0.53 0.11 -0.06 0.00 -1.58 0.00 0.00 32.23 31.23 1vdy h LYS 66 CO -0.41 -0.32 0.54 0.37 -1.08 0.00 0.00 179.45 178.55 1vdy h GLN 67 N -0.50 0.67 -0.72 3.15 -0.00 -0.97 -0.79 115.11 115.95 1vdy h GLN 67 Ca -0.02 -0.04 0.03 0.00 -0.00 0.00 0.00 58.65 58.62 1vdy h GLN 67 Cb 0.46 -0.15 -0.05 0.00 0.00 0.00 0.00 27.48 27.74 1vdy h GLN 67 CO -0.10 0.44 0.45 0.87 0.00 0.00 0.00 178.83 180.50 1vdy h LYS 68 N 0.69 0.85 -0.37 1.69 1.57 -0.90 -1.56 116.57 118.54 1vdy h LYS 68 Ca 0.39 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 59.04 1vdy h LYS 68 Cb 0.58 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1vdy h LYS 68 CO -0.16 0.56 -0.11 0.00 -0.57 0.00 0.00 179.45 179.17 1vdy h ALA 69 N 1.32 0.51 -0.31 3.86 0.00 -0.59 -2.60 119.26 121.45 1vdy h ALA 69 Ca 0.30 -0.32 0.07 0.00 0.00 0.00 0.00 54.91 54.96 1vdy h ALA 69 Cb 0.04 -0.13 -0.07 0.00 0.00 0.00 0.00 17.79 17.63 1vdy h ALA 69 CO -0.12 0.38 -0.16 -0.07 0.00 0.00 0.00 179.25 179.28 1vdy h LEU 70 N 0.52 -0.53 -0.43 0.00 -0.00 -0.49 -0.23 115.31 114.15 1vdy h LEU 70 Ca 0.09 0.12 -0.02 0.00 -0.00 0.00 0.00 57.88 58.07 1vdy h LEU 70 Cb 0.63 0.29 -0.02 0.00 -0.00 0.00 0.00 40.66 41.55 1vdy h LEU 70 CO 0.04 -0.19 0.20 0.08 -0.00 0.00 0.00 178.44 178.56 1vdy h ARG 71 N -0.11 0.63 -0.81 1.13 0.11 -1.32 -2.99 114.38 111.01 1vdy h ARG 71 Ca 0.16 -0.10 0.01 0.00 0.10 0.00 0.00 59.98 60.15 1vdy h ARG 71 Cb 0.36 -0.11 -0.04 0.00 1.11 0.00 0.00 29.97 31.28 1vdy h ARG 71 CO -0.38 0.56 0.54 1.25 0.10 0.00 0.00 179.97 182.04 1vdy h LEU 72 N 0.56 0.93 0.33 0.08 5.85 -0.99 0.31 115.31 122.37 1vdy h LEU 72 Ca 0.15 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1vdy h LEU 72 Cb 0.14 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 1vdy h LEU 72 CO -0.02 0.67 -0.37 0.40 -0.34 0.00 0.00 178.44 178.78 1vdy h ILE 73 N 1.09 0.24 -0.51 4.05 2.04 -0.92 0.52 117.51 124.02 1vdy h ILE 73 Ca 0.30 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 66.05 1vdy h ILE 73 Cb -0.11 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.20 1vdy h ILE 73 CO -0.07 0.00 -0.12 0.07 0.00 0.00 0.00 178.15 178.03 1vdy h LYS 74 N -0.74 0.99 0.03 2.37 2.10 -1.37 0.81 116.57 120.75 1vdy h LYS 74 Ca -0.02 -0.38 0.02 0.00 -2.00 0.00 0.00 60.65 58.27 1vdy h LYS 74 Cb 0.68 -0.06 -0.02 0.00 -0.90 0.00 0.00 32.23 31.93 1vdy h LYS 74 CO -0.09 1.05 -0.13 -0.92 -2.00 0.00 0.00 179.45 177.37 1vdy h TYR 75 N 0.85 -0.32 -0.04 0.07 5.03 -0.76 -2.53 116.97 119.27 1vdy h TYR 75 Ca 0.13 0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.44 1vdy h TYR 75 Cb 0.69 0.14 -0.00 0.00 1.55 0.00 0.00 36.73 39.11 1vdy h TYR 75 CO 0.05 -0.19 -0.01 0.00 -1.32 0.00 0.00 178.16 176.69 1vdy h ALA 76 N 0.71 0.06 -0.02 1.82 0.00 -0.86 -3.09 119.26 117.88 1vdy h ALA 76 Ca 0.04 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.75 1vdy h ALA 76 Cb 0.27 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1vdy h ALA 76 CO -0.11 -0.23 0.05 -0.24 0.00 0.00 0.00 179.25 178.72 1vdy h VAL 77 N -0.27 0.21 0.00 0.00 3.04 -0.79 0.24 116.25 118.68 1vdy h VAL 77 Ca 0.01 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.70 1vdy h VAL 77 Cb 0.40 0.95 0.00 0.00 -2.01 0.00 0.00 31.29 30.63 1vdy h VAL 77 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.17 1vdy n GLY 78 N -1.20 -1.54 0.00 3.17 0.00 -0.96 -4.35 105.19 100.31 1vdy n GLY 78 Ca -0.02 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.94 1vdy n GLY 78 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1vdy n LYS 79 N -1.82 0.00 0.25 1.61 2.85 -0.29 -4.88 118.16 115.88 1vdy n LYS 79 Ca 0.06 0.00 0.11 0.00 -1.05 0.00 0.00 58.31 57.43 1vdy n LYS 79 Cb 0.36 -0.16 0.66 0.00 -0.65 0.00 0.00 35.03 35.25 1vdy n LYS 79 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 177.40 178.12 1vdy h SER 80 N 0.00 0.00 0.00 -5.58 0.02 -0.80 -3.49 113.55 103.71 1vdy h SER 80 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1vdy h SER 80 Cb 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 1vdy h SER 80 CO 0.00 0.14 0.00 0.61 -1.14 0.00 0.00 176.83 176.44 1vdy n GLY 81 N -0.78 1.03 0.00 -3.77 0.00 -1.26 -4.60 105.19 95.81 1vdy n GLY 81 Ca -0.02 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.36 1vdy n GLY 81 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1vdy n SER 82 N 0.00 0.00 -0.12 1.61 2.88 -1.26 -4.89 113.62 111.84 1vdy n SER 82 Ca 0.00 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.48 1vdy n SER 82 Cb 0.00 0.00 0.02 0.00 -0.75 0.00 0.00 64.21 63.48 1vdy n SER 82 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1vdy h GLU 83 N 0.00 0.36 -0.57 -1.46 4.39 -1.99 -1.33 114.58 113.98 1vdy h GLU 83 Ca 0.00 -0.02 0.11 0.00 0.34 0.00 0.00 59.36 59.79 1vdy h GLU 83 Cb 0.00 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.54 1vdy h GLU 83 CO 0.00 0.24 0.39 0.35 -1.16 0.00 0.00 179.01 178.82 1vdy h PHE 84 N 0.37 0.31 -0.18 4.33 3.57 -1.91 -0.60 116.94 122.82 1vdy h PHE 84 Ca 0.17 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 1vdy h PHE 84 Cb 0.10 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1vdy h PHE 84 CO -0.11 0.14 0.06 -0.09 -2.23 0.00 0.00 178.31 176.08 1vdy h ARG 85 N 0.29 0.28 -0.14 1.11 2.43 -1.58 -1.55 114.38 115.22 1vdy h ARG 85 Ca 0.27 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.41 1vdy h ARG 85 Cb 0.67 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.14 1vdy h ARG 85 CO -0.06 0.38 -0.07 0.00 -1.51 0.00 0.00 179.97 178.71 1vdy h ARG 86 N 0.13 -0.05 -0.52 0.20 2.47 -0.91 -1.24 114.38 114.45 1vdy h ARG 86 Ca 0.06 0.00 -0.05 0.00 -1.26 0.00 0.00 59.98 58.73 1vdy h ARG 86 Cb 0.21 0.01 -0.02 0.00 -1.65 0.00 0.00 29.97 28.52 1vdy h ARG 86 CO -0.00 -0.04 0.12 0.93 0.56 0.00 0.00 179.97 181.54 1vdy h GLU 87 N -0.06 0.80 -0.36 0.04 4.39 -1.46 -2.14 114.58 115.80 1vdy h GLU 87 Ca 0.08 -0.16 -0.01 0.00 0.34 0.00 0.00 59.36 59.61 1vdy h GLU 87 Cb 0.17 -0.12 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 1vdy h GLU 87 CO -0.18 0.73 0.19 0.52 -1.16 0.00 0.00 179.01 179.11 1vdy h MET 88 N 0.77 0.51 -0.61 2.33 2.86 -0.64 -2.57 114.93 117.59 1vdy h MET 88 Ca 0.17 -0.07 0.09 0.00 -2.06 0.00 0.00 59.70 57.83 1vdy h MET 88 Cb 0.29 -0.10 -0.07 0.00 0.06 0.00 0.00 31.60 31.78 1vdy h MET 88 CO -0.00 0.44 0.25 1.96 1.06 0.00 0.00 176.91 180.62 1vdy h GLN 89 N 0.45 0.44 0.00 1.72 4.20 -0.60 -0.59 115.11 120.73 1vdy h GLN 89 Ca 0.13 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.81 1vdy h GLN 89 Cb 0.08 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.76 1vdy h GLN 89 CO -0.02 0.29 0.00 0.00 -0.67 0.00 0.00 178.83 178.43 1vdy h ARG 90 N 0.45 0.00 0.00 1.46 3.08 -1.08 -2.56 114.38 115.73 1vdy h ARG 90 Ca 0.30 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.33 1vdy h ARG 90 Cb 0.35 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.34 1vdy h ARG 90 CO -0.28 0.00 -0.40 0.09 -1.07 0.00 0.00 179.97 178.31 1vdy n ASN 91 N -2.94 1.20 0.09 7.04 3.02 -0.73 -4.86 115.26 118.08 1vdy n ASN 91 Ca -0.02 -2.64 0.08 0.00 -0.03 0.00 0.00 54.58 51.96 1vdy n ASN 91 Cb 0.08 -0.34 0.38 0.00 -0.61 0.00 0.00 39.78 39.29 1vdy n ASN 91 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1vdy n SER 92 N -0.59 0.36 0.26 6.41 3.41 -0.31 -2.42 113.62 120.75 1vdy n SER 92 Ca 0.09 0.64 0.12 0.00 -0.26 0.00 0.00 58.87 59.47 1vdy n SER 92 Cb 0.74 -0.70 0.70 0.00 -0.26 0.00 0.00 64.21 64.69 1vdy n SER 92 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 1vdy h VAL 93 N 0.00 0.59 -0.10 -3.33 3.04 -1.88 -0.30 116.25 114.27 1vdy h VAL 93 Ca 0.00 -0.58 0.03 0.00 -1.01 0.00 0.00 66.70 65.14 1vdy h VAL 93 Cb 0.10 1.37 -0.00 0.00 -2.01 0.00 0.00 31.29 30.75 1vdy h VAL 93 CO 0.00 0.13 0.08 0.00 -1.01 0.00 0.00 177.57 176.76 1vdy h ALA 94 N 1.87 2.03 0.03 3.17 0.00 -1.88 0.11 119.26 124.60 1vdy h ALA 94 Ca -0.00 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 54.56 1vdy h ALA 94 Cb 0.36 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1vdy h ALA 94 CO 0.02 -0.13 -1.94 0.28 0.00 0.00 0.00 179.25 177.48 1vdy n VAL 95 N -4.41 1.59 -0.10 0.00 0.31 -0.59 -4.30 118.33 110.83 1vdy n VAL 95 Ca -0.01 -0.36 0.07 0.00 -0.01 0.00 0.00 64.34 64.03 1vdy n VAL 95 Cb 0.19 -1.83 0.41 0.00 -0.91 0.00 0.00 33.84 31.70 1vdy n VAL 95 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 1vdy h ARG 96 N -0.56 0.60 0.00 5.55 3.08 -0.69 -0.61 114.38 121.75 1vdy h ARG 96 Ca -0.49 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 59.53 1vdy h ARG 96 Cb 1.66 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.58 1vdy h ARG 96 CO -0.16 0.40 0.00 0.27 -1.07 0.00 0.00 179.97 179.40 1vdy n ASN 97 N -4.47 0.43 -0.12 7.04 0.23 0.34 -2.45 115.26 116.26 1vdy n ASN 97 Ca 0.08 0.59 0.14 0.00 -0.53 0.00 0.00 54.58 54.86 1vdy n ASN 97 Cb 0.21 -0.69 0.50 0.00 -2.08 0.00 0.00 39.78 37.72 1vdy n ASN 97 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1vdy n LEU 98 N -1.95 0.57 0.25 -4.53 4.77 -0.24 -4.01 117.00 111.86 1vdy n LEU 98 Ca 0.03 -0.02 0.14 0.00 -0.03 0.00 0.00 56.01 56.14 1vdy n LEU 98 Cb 0.24 -0.21 0.77 0.00 -2.33 0.00 0.00 43.42 41.89 1vdy n LEU 98 CO 0.20 0.11 0.99 -0.26 -1.33 0.00 0.00 177.39 177.10 1vdy h PHE 99 N 0.59 0.00 0.00 -1.77 0.04 -1.56 -1.39 116.94 112.85 1vdy h PHE 99 Ca 0.00 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.68 1vdy h PHE 99 Cb 0.43 0.00 -0.19 0.00 2.20 0.00 0.00 35.95 38.39 1vdy h PHE 99 CO 0.00 0.00 -0.73 -2.39 -0.60 0.00 0.00 178.31 174.59 1vdy n HIS 100 N -2.59 0.00 -1.29 -0.55 1.44 -1.26 -5.09 115.22 105.88 1vdy n HIS 100 Ca -0.02 -0.26 -0.33 0.00 -2.01 0.00 0.00 57.72 55.10 1vdy n HIS 100 Cb 0.19 -0.06 0.10 0.00 0.12 0.00 0.00 29.99 30.34 1vdy n HIS 100 CO 0.00 0.00 0.00 -0.47 -2.81 0.00 0.00 176.34 173.06 1vdy s TYR 101 N 0.00 2.11 0.00 -1.40 5.04 -0.52 -4.93 117.35 117.65 1vdy s TYR 101 Ca 0.16 1.63 0.00 0.00 -2.44 0.00 0.00 57.07 56.42 1vdy s TYR 101 Cb 0.19 -3.34 0.00 0.00 0.35 0.00 0.00 41.96 39.16 1vdy s TYR 101 CO -0.08 -2.40 0.00 0.36 -1.34 0.00 0.00 175.55 172.09 1vdy n LYS 102 N -3.13 0.00 0.00 4.97 2.85 -1.26 -4.94 118.16 116.65 1vdy n LYS 102 Ca 0.12 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.38 1vdy n LYS 102 Cb 0.51 -0.34 0.00 0.00 -0.65 0.00 0.00 35.03 34.55 1vdy n LYS 102 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1vdy n GLY 103 N 0.52 0.99 3.90 2.58 0.00 -1.26 -4.76 105.19 107.16 1vdy n GLY 103 Ca 0.00 -0.65 -0.21 0.00 0.00 0.00 0.00 46.02 45.15 1vdy n GLY 103 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1vdy s HIS 104 N 0.00 3.21 1.01 1.61 3.76 -1.26 -5.12 115.29 118.50 1vdy s HIS 104 Ca 0.00 -0.11 -0.14 0.00 -0.15 0.00 0.00 55.06 54.66 1vdy s HIS 104 Cb 0.00 -1.58 0.19 0.00 1.11 0.00 0.00 32.58 32.30 1vdy s HIS 104 CO 0.00 0.39 1.12 -1.25 -0.85 0.00 0.00 174.74 174.15 1vdy s PRO 105 N -3.95 0.34 -0.07 8.40 0.04 -1.26 -4.91 135.00 133.59 1vdy s PRO 105 Ca 0.36 0.29 0.03 0.00 0.04 0.00 0.00 61.00 61.71 1vdy s PRO 105 Cb -0.08 -1.75 0.01 0.00 0.04 0.00 0.00 34.50 32.72 1vdy s PRO 105 CO 0.27 -2.74 -0.14 -0.51 0.04 0.00 0.00 177.00 173.92 1vdy s ASP 106 N -3.78 2.01 0.38 6.66 1.01 -0.52 -5.01 116.67 117.42 1vdy s ASP 106 Ca 0.66 -0.35 0.13 0.00 0.71 0.00 0.00 52.55 53.71 1vdy s ASP 106 Cb -0.15 -0.93 0.76 0.00 1.01 0.00 0.00 42.92 43.61 1vdy s ASP 106 CO 0.56 0.06 1.85 1.55 0.21 0.00 0.00 175.17 179.39 1vdy h PRO 107 N 6.92 0.00 0.15 8.23 0.13 -1.98 -0.28 132.00 145.18 1vdy h PRO 107 Ca -0.29 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.84 1vdy h PRO 107 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1vdy h PRO 107 CO 0.47 0.35 -0.07 1.37 -0.23 0.00 0.00 178.00 179.89 1vdy h LEU 108 N 0.00 -0.17 0.00 1.56 -0.00 -2.05 -3.41 115.31 111.23 1vdy h LEU 108 Ca -0.00 -0.33 0.00 0.00 -0.00 0.00 0.00 57.88 57.55 1vdy h LEU 108 Cb 0.62 0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.32 1vdy h LEU 108 CO 0.05 0.27 -0.56 0.29 -0.00 0.00 0.00 178.44 178.48 1vdy n LYS 109 N -4.98 0.32 0.00 0.17 4.76 -1.23 -5.10 118.16 112.10 1vdy n LYS 109 Ca -0.09 0.19 0.00 0.00 -2.87 0.00 0.00 58.31 55.55 1vdy n LYS 109 Cb 0.25 -1.14 0.00 0.00 -1.84 0.00 0.00 35.03 32.30 1vdy n LYS 109 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1vdy n GLY 110 N 1.51 1.35 2.07 0.72 0.00 -0.12 -4.76 105.19 105.97 1vdy n GLY 110 Ca -0.08 -0.43 0.02 0.00 0.00 0.00 0.00 46.02 45.54 1vdy n GLY 110 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1vdy n ASP 111 N 0.00 1.22 -0.12 1.61 8.00 -1.26 -1.44 116.55 124.56 1vdy n ASP 111 Ca 0.00 -2.01 -0.24 0.00 0.71 0.00 0.00 54.79 53.25 1vdy n ASP 111 Cb 0.00 -0.37 -0.10 0.00 -0.02 0.00 0.00 41.12 40.63 1vdy n ASP 111 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1vdy n ALA 112 N 0.02 0.94 -0.09 2.24 0.00 -1.26 -3.62 120.51 118.74 1vdy n ALA 112 Ca 0.06 -0.75 -0.07 0.00 0.00 0.00 0.00 53.44 52.69 1vdy n ALA 112 Cb 1.00 -0.22 0.00 0.00 0.00 0.00 0.00 19.45 20.23 1vdy n ALA 112 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1vdy h LEU 113 N -1.00 0.05 -1.12 0.00 3.38 -1.96 -2.61 115.31 112.06 1vdy h LEU 113 Ca -0.46 0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.46 1vdy h LEU 113 Cb 1.37 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.16 1vdy h LEU 113 CO -0.28 0.07 -0.40 -0.55 0.09 0.00 0.00 178.44 177.37 1vdy h ASN 114 N 0.20 0.08 -0.68 -0.43 -1.07 -1.89 -2.93 115.58 108.86 1vdy h ASN 114 Ca 0.14 -0.03 -0.07 0.00 0.07 0.00 0.00 56.30 56.41 1vdy h ASN 114 Cb 0.14 -0.02 -0.03 0.00 -2.07 0.00 0.00 38.32 36.34 1vdy h ASN 114 CO -0.17 0.48 0.16 0.50 0.07 0.00 0.00 177.43 178.46 1vdy h LYS 115 N 0.07 1.10 -0.06 4.14 3.11 -1.53 -2.79 116.57 120.60 1vdy h LYS 115 Ca 0.00 -0.27 -0.01 0.00 -2.81 0.00 0.00 60.65 57.56 1vdy h LYS 115 Cb 0.74 -0.14 -0.00 0.00 -1.00 0.00 0.00 32.23 31.82 1vdy h LYS 115 CO 0.06 0.98 -0.02 0.00 -2.81 0.00 0.00 179.45 177.65 1vdy h ALA 116 N 1.07 1.86 -0.43 5.00 0.00 -1.31 -2.46 119.26 122.98 1vdy h ALA 116 Ca 0.21 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1vdy h ALA 116 Cb 0.38 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 1vdy h ALA 116 CO 0.00 0.11 0.19 0.28 0.00 0.00 0.00 179.25 179.84 1vdy h VAL 117 N 0.08 0.94 0.02 0.00 2.07 -1.54 -2.67 116.25 115.15 1vdy h VAL 117 Ca 0.02 -0.14 -0.21 0.00 0.82 0.00 0.00 66.70 67.20 1vdy h VAL 117 Cb 0.10 0.51 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 1vdy h VAL 117 CO 0.00 0.07 -0.95 0.08 0.02 0.00 0.00 177.57 176.80 1vdy h ARG 118 N 0.39 0.11 0.81 1.57 -0.00 -1.57 -2.83 114.38 112.87 1vdy h ARG 118 Ca 0.19 -0.15 -0.04 0.00 -0.00 0.00 0.00 59.98 59.99 1vdy h ARG 118 Cb 0.13 0.05 -0.00 0.00 -0.00 0.00 0.00 29.97 30.14 1vdy h ARG 118 CO -0.15 0.97 -0.47 0.93 -0.00 0.00 0.00 179.97 181.25 1vdy h GLU 119 N 0.05 -1.14 -0.23 0.08 4.39 -1.13 -2.50 114.58 114.10 1vdy h GLU 119 Ca -0.04 0.08 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 1vdy h GLU 119 Cb 1.62 0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 30.52 1vdy h GLU 119 CO 0.14 -0.76 0.01 1.15 -1.16 0.00 0.00 179.01 178.38 1vdy h THR 120 N -1.19 1.14 -0.78 1.13 2.02 -1.62 -2.59 112.91 111.02 1vdy h THR 120 Ca -0.11 -0.55 0.11 0.00 0.77 0.00 0.00 66.41 66.63 1vdy h THR 120 Cb 0.94 0.96 -0.05 0.00 -1.74 0.00 0.00 68.15 68.26 1vdy h THR 120 CO 0.13 0.19 0.51 0.00 0.37 0.00 0.00 175.52 176.72 1vdy h ALA 121 N 1.68 1.83 -0.15 6.16 0.00 -1.18 0.17 119.26 127.76 1vdy h ALA 121 Ca 0.08 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1vdy h ALA 121 Cb 0.22 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1vdy h ALA 121 CO 0.00 -0.00 0.02 0.45 0.00 0.00 0.00 179.25 179.72 1vdy h HIS 122 N 0.67 0.28 -0.32 0.00 3.86 -1.31 -2.37 115.15 115.96 1vdy h HIS 122 Ca 0.37 -0.04 -0.07 0.00 -1.16 0.00 0.00 60.37 59.47 1vdy h HIS 122 Cb 0.53 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.90 1vdy h HIS 122 CO -0.00 0.45 -0.09 0.93 0.86 0.00 0.00 177.93 180.08 1vdy h GLU 123 N 0.03 0.54 -0.20 2.45 5.08 -1.36 -2.73 114.58 118.39 1vdy h GLU 123 Ca 0.05 -0.15 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1vdy h GLU 123 Cb 0.33 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1vdy h GLU 123 CO 0.00 0.63 0.09 1.15 -1.00 0.00 0.00 179.01 179.89 1vdy h THR 124 N 0.50 1.13 -0.73 1.13 2.02 -0.56 -2.18 112.91 114.22 1vdy h THR 124 Ca 0.10 -0.37 -0.01 0.00 0.77 0.00 0.00 66.41 66.89 1vdy h THR 124 Cb 0.47 1.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 1vdy h THR 124 CO 0.03 0.13 0.41 0.40 0.37 0.00 0.00 175.52 176.85 1vdy h ILE 125 N 0.19 1.22 -0.22 3.11 1.08 -1.25 -1.11 117.51 120.53 1vdy h ILE 125 Ca 0.07 -0.52 0.06 0.00 -0.39 0.00 0.00 64.86 64.08 1vdy h ILE 125 Cb 0.11 0.24 -0.01 0.00 -3.07 0.00 0.00 36.82 34.09 1vdy h ILE 125 CO -0.01 0.24 0.20 -1.28 -0.69 0.00 0.00 178.15 176.60 1vdy h SER 126 N 1.00 0.00 0.16 1.72 0.87 -1.21 -0.94 113.55 115.16 1vdy h SER 126 Ca 0.26 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.46 1vdy h SER 126 Cb 0.01 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.97 1vdy h SER 126 CO -0.04 0.00 -1.90 0.00 -0.53 0.00 0.00 176.83 174.36 1vdy h ALA 127 N 1.81 0.33 -0.56 6.23 0.00 -0.69 -3.07 119.26 123.32 1vdy h ALA 127 Ca 0.10 -1.30 -0.07 0.00 0.00 0.00 0.00 54.91 53.65 1vdy h ALA 127 Cb 0.50 0.61 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1vdy h ALA 127 CO -0.00 1.21 0.09 0.82 0.00 0.00 0.00 179.25 181.37 1vdy h ILE 128 N 0.09 1.25 -1.10 0.00 2.04 -0.64 -3.12 117.51 116.02 1vdy h ILE 128 Ca -0.39 -0.96 -0.65 0.00 1.00 0.00 0.00 64.86 63.86 1vdy h ILE 128 Cb 2.06 0.80 -0.34 0.00 -0.74 0.00 0.00 36.82 38.60 1vdy h ILE 128 CO 0.12 0.35 0.29 0.49 0.00 0.00 0.00 178.15 179.41 1vdy n PHE 129 N -4.35 3.08 -2.22 1.37 3.01 -0.41 -4.86 117.46 113.07 1vdy n PHE 129 Ca 0.02 -2.71 -0.40 0.00 1.01 0.00 0.00 57.45 55.37 1vdy n PHE 129 Cb 0.27 -1.00 -0.02 0.00 -0.01 0.00 0.00 39.48 38.72 1vdy n PHE 129 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1vdy n SER 130 N -0.77 4.20 -2.32 4.37 2.88 -1.16 -4.85 113.62 115.97 1vdy n SER 130 Ca 0.54 -2.84 -0.09 0.00 -1.33 0.00 0.00 58.87 55.15 1vdy n SER 130 Cb 0.69 -1.69 -0.01 0.00 -0.75 0.00 0.00 64.21 62.45 1vdy n SER 130 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 1vdy n GLU 131 N 7.88 0.54 -3.68 -1.46 0.28 -1.26 -5.07 120.64 117.86 1vdy n GLU 131 Ca 0.49 -1.81 -0.26 0.00 -0.16 0.00 0.00 57.16 55.41 1vdy n GLU 131 Cb 0.45 1.84 -0.17 0.00 1.43 0.00 0.00 31.44 34.98 1vdy n GLU 131 CO 0.00 0.00 0.00 -1.21 -0.16 0.00 0.00 177.13 175.76 1vdy s GLU 132 N -2.44 0.37 0.19 3.44 2.02 -1.26 -5.13 118.70 115.89 1vdy s GLU 132 Ca 0.18 -0.20 -0.31 0.00 0.02 0.00 0.00 54.97 54.66 1vdy s GLU 132 Cb -0.01 -1.83 -0.09 0.00 0.10 0.00 0.00 34.13 32.30 1vdy s GLU 132 CO 0.13 -0.61 1.41 1.21 0.02 0.00 0.00 175.26 177.42 1vdy s ASN 133 N 2.00 6.75 0.00 -0.19 2.47 -1.26 -4.83 114.94 119.88 1vdy s ASN 133 Ca 0.01 2.51 0.00 0.00 0.42 0.00 0.00 52.86 55.80 1vdy s ASN 133 Cb -0.16 -2.61 0.00 0.00 -1.45 0.00 0.00 41.25 37.03 1vdy s ASN 133 CO -0.08 -0.66 0.00 0.61 -3.72 0.00 0.00 177.10 173.25 1vdy n GLY 134 N 2.79 0.66 3.71 1.21 0.00 -1.26 -5.14 105.19 107.17 1vdy n GLY 134 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 1vdy n GLY 134 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1vdy s SER 135 N 0.00 2.28 0.00 1.61 0.01 -1.26 -4.96 113.70 111.39 1vdy s SER 135 Ca 0.00 0.77 -0.30 0.00 1.31 0.00 0.00 55.95 57.73 1vdy s SER 135 Cb 0.00 -1.16 -0.07 0.00 0.21 0.00 0.00 66.02 65.01 1vdy s SER 135 CO 0.00 -3.29 1.61 -0.83 0.41 0.00 0.00 173.24 171.14 1vdy s GLY 136 N -4.00 1.60 0.00 3.44 0.00 -1.26 -4.89 107.32 102.21 1vdy s GLY 136 Ca 0.68 1.03 0.20 0.00 0.00 0.00 0.00 44.72 46.63 1vdy s GLY 136 CO 0.55 2.89 1.63 -1.55 0.00 0.00 0.00 173.10 176.62 1vdy n PRO 137 N 6.25 0.00 -4.38 2.90 -0.04 -1.26 -4.70 135.00 133.77 1vdy n PRO 137 Ca 0.16 0.16 -0.19 0.00 -0.04 0.00 0.00 63.50 63.59 1vdy n PRO 137 Cb 0.42 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.24 1vdy n PRO 137 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1vdy s SER 138 N -3.01 1.35 0.06 3.54 0.15 -1.26 -5.16 113.70 109.37 1vdy s SER 138 Ca 0.09 -0.32 -0.03 0.00 0.70 0.00 0.00 55.95 56.40 1vdy s SER 138 Cb 0.13 -0.11 -0.03 0.00 -1.71 0.00 0.00 66.02 64.30 1vdy s SER 138 CO 0.36 0.06 0.04 -0.94 1.20 0.00 0.00 173.24 173.96 1vdy s SER 139 N -0.68 0.37 0.00 5.45 1.04 -1.26 -5.21 113.70 113.41 1vdy s SER 139 Ca 0.02 -0.88 0.00 0.00 0.48 0.00 0.00 55.95 55.57 1vdy s SER 139 Cb -0.06 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.30 1vdy s SER 139 CO 0.00 -0.63 0.00 0.61 0.98 0.00 0.00 173.24 174.21