#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vdy n SER 2 N 0.00 1.22 -3.76 1.61 3.41 -1.26 -5.17 113.62 109.67 1vdy n SER 2 Ca 0.00 -2.84 -0.15 0.00 -0.26 0.00 0.00 58.87 55.61 1vdy n SER 2 Cb 0.00 0.87 -0.16 0.00 -0.26 0.00 0.00 64.21 64.65 1vdy n SER 2 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1vdy s SER 3 N -3.13 0.15 0.00 4.04 0.15 -1.26 -5.01 113.70 108.64 1vdy s SER 3 Ca 0.17 0.06 0.00 0.00 0.70 0.00 0.00 55.95 56.88 1vdy s SER 3 Cb 0.01 -0.06 0.00 0.00 -1.71 0.00 0.00 66.02 64.25 1vdy s SER 3 CO 0.12 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.03 1vdy n GLY 4 N 4.28 0.14 3.75 9.45 0.00 -1.26 -5.12 105.19 116.44 1vdy n GLY 4 Ca -0.26 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 7.49 0.38 1.61 0.01 -1.26 -5.01 113.70 116.92 1vdy s SER 5 Ca 0.00 1.77 -0.28 0.00 1.31 0.00 0.00 55.95 58.75 1vdy s SER 5 Cb 0.00 -2.56 -0.11 0.00 0.21 0.00 0.00 66.02 63.56 1vdy s SER 5 CO 0.00 0.08 1.47 -0.55 0.41 0.00 0.00 173.24 174.66 1vdy s SER 6 N -0.67 6.30 0.00 2.44 0.15 -1.26 -4.45 113.70 116.22 1vdy s SER 6 Ca 0.41 3.03 0.00 0.00 0.70 0.00 0.00 55.95 60.09 1vdy s SER 6 Cb -0.24 -2.67 0.00 0.00 -1.71 0.00 0.00 66.02 61.41 1vdy s SER 6 CO 0.29 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 174.44 1vdy n GLY 7 N 0.48 -2.72 1.89 9.45 0.00 -1.26 -4.90 105.19 108.13 1vdy n GLY 7 Ca 0.01 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.59 1vdy n GLY 7 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1vdy n GLU 8 N 0.02 1.70 -0.31 1.61 1.02 -1.26 -4.66 120.64 118.76 1vdy n GLU 8 Ca 0.00 -0.92 0.15 0.00 -0.02 0.00 0.00 57.16 56.37 1vdy n GLU 8 Cb 0.00 -1.64 0.39 0.00 -0.02 0.00 0.00 31.44 30.17 1vdy n GLU 8 CO 0.00 0.00 0.00 0.77 1.18 0.00 0.00 177.13 179.08 1vdy h SER 9 N 2.14 0.65 0.01 1.62 0.02 -1.94 -2.67 113.55 113.39 1vdy h SER 9 Ca 0.17 0.07 0.03 0.00 -0.84 0.00 0.00 61.79 61.21 1vdy h SER 9 Cb 1.16 -0.05 -0.05 0.00 0.14 0.00 0.00 62.40 63.60 1vdy h SER 9 CO 0.31 0.26 -0.40 0.22 -1.14 0.00 0.00 176.83 176.08 1vdy h TYR 10 N 0.65 -1.12 0.28 3.45 3.20 -1.98 0.14 116.97 121.59 1vdy h TYR 10 Ca 0.52 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.43 1vdy h TYR 10 Cb 0.95 0.49 -0.03 0.00 1.54 0.00 0.00 36.73 39.68 1vdy h TYR 10 CO -0.00 -0.48 -0.37 2.35 -1.64 0.00 0.00 178.16 178.02 1vdy h TRP 11 N -0.56 -1.01 -0.35 -3.82 -0.00 -1.88 0.23 115.95 108.56 1vdy h TRP 11 Ca 0.05 0.01 -0.08 0.00 -0.00 0.00 0.00 58.89 58.87 1vdy h TRP 11 Cb 0.64 0.40 -0.01 0.00 -0.00 0.00 0.00 29.16 30.19 1vdy h TRP 11 CO -0.40 -0.50 -0.10 0.00 -0.00 0.00 0.00 178.44 177.43 1vdy h ARG 12 N -0.71 0.69 -0.49 2.65 3.08 -1.54 -2.92 114.38 115.14 1vdy h ARG 12 Ca -0.01 -0.28 -0.08 0.00 0.07 0.00 0.00 59.98 59.68 1vdy h ARG 12 Cb 0.67 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.66 1vdy h ARG 12 CO -0.11 0.86 -0.03 1.03 -1.07 0.00 0.00 179.97 180.65 1vdy h SER 13 N 0.48 0.82 -0.51 7.04 0.87 -0.64 -2.84 113.55 118.78 1vdy h SER 13 Ca 0.09 -0.22 0.13 0.00 -1.23 0.00 0.00 61.79 60.56 1vdy h SER 13 Cb 0.62 -0.22 -0.02 0.00 -0.44 0.00 0.00 62.40 62.34 1vdy h SER 13 CO 0.04 0.90 0.36 0.03 -0.53 0.00 0.00 176.83 177.63 1vdy h ARG 14 N 0.78 0.09 0.12 2.24 2.47 -0.35 0.21 114.38 119.94 1vdy h ARG 14 Ca 0.14 -0.01 -0.01 0.00 -1.26 0.00 0.00 59.98 58.85 1vdy h ARG 14 Cb 0.51 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.81 1vdy h ARG 14 CO 0.03 0.06 -0.06 0.52 0.56 0.00 0.00 179.97 181.08 1vdy h MET 15 N 0.09 -0.15 -0.31 0.04 2.86 -1.45 -2.27 114.93 113.74 1vdy h MET 15 Ca 0.24 0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.90 1vdy h MET 15 Cb 0.84 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 32.51 1vdy h MET 15 CO -0.02 0.23 0.18 0.82 1.06 0.00 0.00 176.91 179.17 1vdy h ILE 16 N -0.56 1.04 -0.89 -1.22 1.08 -1.31 -2.45 117.51 113.19 1vdy h ILE 16 Ca -0.02 -0.13 0.18 0.00 -0.39 0.00 0.00 64.86 64.50 1vdy h ILE 16 Cb 0.45 0.63 -0.07 0.00 -3.07 0.00 0.00 36.82 34.76 1vdy h ILE 16 CO 0.03 0.07 0.58 -0.78 -0.69 0.00 0.00 178.15 177.35 1vdy h ASP 17 N 0.37 0.53 0.61 1.72 3.58 -0.63 0.14 116.42 122.74 1vdy h ASP 17 Ca 0.12 0.04 -0.10 0.00 0.42 0.00 0.00 57.03 57.52 1vdy h ASP 17 Cb -0.00 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 40.98 1vdy h ASP 17 CO -0.06 0.24 -0.47 0.00 -2.88 0.00 0.00 179.24 176.08 1vdy h ALA 18 N 1.61 1.10 -0.01 -0.78 0.00 -0.91 -2.38 119.26 117.90 1vdy h ALA 18 Ca 0.46 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1vdy h ALA 18 Cb 0.95 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1vdy h ALA 18 CO -0.20 0.58 -0.58 1.33 0.00 0.00 0.00 179.25 180.38 1vdy n VAL 19 N -3.79 0.00 -0.45 0.00 0.24 -0.34 -4.39 118.33 109.60 1vdy n VAL 19 Ca -0.01 -0.21 0.04 0.00 -2.04 0.00 0.00 64.34 62.12 1vdy n VAL 19 Cb 0.52 1.13 0.06 0.00 -1.47 0.00 0.00 33.84 34.08 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 -0.61 1.38 -1.90 3.34 -2.24 0.35 -4.59 114.28 110.01 1vdy n THR 20 Ca 0.06 -1.52 -0.38 0.00 -2.27 0.00 0.00 64.05 59.94 1vdy n THR 20 Cb 0.35 0.19 0.03 0.00 -2.10 0.00 0.00 70.33 68.81 1vdy n THR 20 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1vdy s SER 21 N -1.77 5.40 -1.29 3.42 1.04 -0.90 -4.46 113.70 115.14 1vdy s SER 21 Ca 0.14 2.63 -0.06 0.00 0.48 0.00 0.00 55.95 59.14 1vdy s SER 21 Cb 0.12 -2.62 0.10 0.00 0.10 0.00 0.00 66.02 63.72 1vdy s SER 21 CO 0.02 -1.47 2.45 -0.67 0.98 0.00 0.00 173.24 174.54 1vdy n ASP 22 N -1.02 8.02 -1.35 7.02 2.03 -1.26 -4.58 116.55 125.40 1vdy n ASP 22 Ca 0.10 -3.11 0.12 0.00 0.52 0.00 0.00 54.79 52.42 1vdy n ASP 22 Cb 0.46 -1.37 0.32 0.00 -0.72 0.00 0.00 41.12 39.81 1vdy n ASP 22 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1vdy n GLU 23 N 1.79 2.72 -0.79 -0.67 0.28 -1.26 -4.96 120.64 117.74 1vdy n GLU 23 Ca 0.63 -2.65 0.00 0.00 -0.16 0.00 0.00 57.16 54.98 1vdy n GLU 23 Cb 0.26 -1.57 0.00 0.00 1.43 0.00 0.00 31.44 31.56 1vdy n GLU 23 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 1vdy n ASP 24 N 1.65 -3.97 -4.44 -1.84 5.68 -1.26 -4.93 116.55 107.44 1vdy n ASP 24 Ca 0.24 0.00 -0.31 0.00 -0.50 0.00 0.00 54.79 54.22 1vdy n ASP 24 Cb 0.62 -2.99 -0.13 0.00 -1.14 0.00 0.00 41.12 37.48 1vdy n ASP 24 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 1vdy s LYS 25 N -1.58 2.16 0.25 0.11 2.47 -1.26 -5.13 119.74 116.76 1vdy s LYS 25 Ca 0.00 -0.92 -0.27 0.00 -1.56 0.00 0.00 55.97 53.22 1vdy s LYS 25 Cb 0.00 -2.21 -0.09 0.00 -1.46 0.00 0.00 37.83 34.07 1vdy s LYS 25 CO 0.00 0.56 0.89 0.54 0.16 0.00 0.00 175.35 177.50 1vdy s VAL 26 N -0.85 4.20 0.14 4.02 0.11 -1.26 -4.99 120.40 121.77 1vdy s VAL 26 Ca 0.13 1.89 -0.34 0.00 -2.93 0.00 0.00 61.98 60.73 1vdy s VAL 26 Cb -0.10 -4.17 -0.13 0.00 -1.53 0.00 0.00 36.38 30.44 1vdy s VAL 26 CO 0.03 0.38 1.62 0.00 -3.33 0.00 0.00 175.10 173.81 1vdy n ALA 27 N 1.19 1.46 -1.60 1.54 0.00 -1.26 -4.98 120.51 116.87 1vdy n ALA 27 Ca -0.02 0.43 -0.32 0.00 0.00 0.00 0.00 53.44 53.53 1vdy n ALA 27 Cb 0.48 -2.38 0.03 0.00 0.00 0.00 0.00 19.45 17.58 1vdy n ALA 27 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1vdy s PRO 28 N 1.23 3.10 0.18 0.00 0.04 -1.26 -4.97 135.00 133.33 1vdy s PRO 28 Ca 0.80 1.15 -0.13 0.00 0.04 0.00 0.00 61.00 62.85 1vdy s PRO 28 Cb -0.66 -2.00 0.09 0.00 0.04 0.00 0.00 34.50 31.97 1vdy s PRO 28 CO 0.38 -0.98 1.84 0.28 0.04 0.00 0.00 177.00 178.57 1vdy h VAL 29 N -0.02 1.13 -0.59 -0.36 2.07 -2.01 -2.43 116.25 114.05 1vdy h VAL 29 Ca -0.46 -0.26 0.08 0.00 0.82 0.00 0.00 66.70 66.88 1vdy h VAL 29 Cb 1.22 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 1vdy h VAL 29 CO 0.57 0.14 0.40 0.10 0.02 0.00 0.00 177.57 178.79 1vdy h TYR 30 N 0.76 0.48 0.00 1.57 -0.00 -1.99 0.52 116.97 118.32 1vdy h TYR 30 Ca 0.22 0.01 -0.01 0.00 0.00 0.00 0.00 58.73 58.94 1vdy h TYR 30 Cb -0.07 -0.16 -0.00 0.00 0.00 0.00 0.00 36.73 36.50 1vdy h TYR 30 CO -0.04 0.24 -0.07 0.87 -0.00 0.00 0.00 178.16 179.16 1vdy h LYS 31 N 0.47 0.00 0.23 0.10 1.57 -1.82 -2.05 116.57 115.06 1vdy h LYS 31 Ca 0.27 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.73 1vdy h LYS 31 Cb 0.44 0.00 0.03 0.00 0.08 0.00 0.00 32.23 32.78 1vdy h LYS 31 CO -0.08 0.07 -1.45 -0.07 -0.57 0.00 0.00 179.45 177.35 1vdy h LEU 32 N 0.00 0.76 -1.19 2.94 3.38 -0.84 -3.33 115.31 117.02 1vdy h LEU 32 Ca -0.00 -0.93 -0.04 0.00 0.09 0.00 0.00 57.88 57.00 1vdy h LEU 32 Cb 0.76 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1vdy h LEU 32 CO 0.01 1.69 0.12 -0.33 0.09 0.00 0.00 178.44 180.02 1vdy h GLU 33 N 0.07 0.68 -0.72 1.13 5.08 -1.21 -2.78 114.58 116.84 1vdy h GLU 33 Ca -0.26 -0.12 0.01 0.00 -1.00 0.00 0.00 59.36 57.98 1vdy h GLU 33 Cb 2.09 -0.11 -0.04 0.00 0.50 0.00 0.00 28.75 31.19 1vdy h GLU 33 CO 0.24 0.61 0.47 1.05 -1.00 0.00 0.00 179.01 180.39 1vdy h GLU 34 N 0.66 0.94 -0.15 2.33 4.11 -1.48 0.45 114.58 121.45 1vdy h GLU 34 Ca 0.15 -0.06 -0.01 0.00 0.07 0.00 0.00 59.36 59.51 1vdy h GLU 34 Cb 0.24 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1vdy h GLU 34 CO -0.00 0.63 0.05 0.82 0.07 0.00 0.00 179.01 180.58 1vdy h ILE 35 N 0.97 1.17 -0.38 -1.06 2.04 -1.65 -2.50 117.51 116.10 1vdy h ILE 35 Ca 0.26 -0.51 -0.01 0.00 1.00 0.00 0.00 64.86 65.60 1vdy h ILE 35 Cb -0.11 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 1vdy h ILE 35 CO -0.06 0.16 0.20 0.00 0.00 0.00 0.00 178.15 178.45 1vdy h ASP 37 N 0.48 0.70 -0.28 0.00 3.58 -0.91 -2.35 116.42 117.63 1vdy h ASP 37 Ca 0.13 -0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.56 1vdy h ASP 37 Cb 0.07 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 40.94 1vdy h ASP 37 CO -0.02 0.50 0.13 -0.07 -2.88 0.00 0.00 179.24 176.90 1vdy h LEU 38 N 0.83 0.36 -0.56 2.28 3.38 -1.21 -2.55 115.31 117.83 1vdy h LEU 38 Ca 0.24 -0.13 0.10 0.00 0.09 0.00 0.00 57.88 58.18 1vdy h LEU 38 Cb -0.06 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 40.51 1vdy h LEU 38 CO -0.07 0.39 0.13 -0.07 0.09 0.00 0.00 178.44 178.92 1vdy h LEU 39 N 0.31 0.03 -0.45 1.67 3.38 -0.12 0.79 115.31 120.93 1vdy h LEU 39 Ca 0.10 0.10 -0.18 0.00 0.09 0.00 0.00 57.88 57.99 1vdy h LEU 39 Cb 0.12 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1vdy h LEU 39 CO -0.01 0.03 -0.70 0.03 0.09 0.00 0.00 178.44 177.88 1vdy h ARG 40 N 0.27 0.39 -0.02 1.13 3.08 -1.42 -3.13 114.38 114.68 1vdy h ARG 40 Ca 0.29 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1vdy h ARG 40 Cb 0.41 0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.52 1vdy h ARG 40 CO -0.36 0.94 0.00 0.43 -1.07 0.00 0.00 179.97 179.91 1vdy n SER 41 N -3.85 0.28 -4.36 7.04 7.64 -0.77 -4.85 113.62 114.74 1vdy n SER 41 Ca -0.04 -1.39 -0.23 0.00 1.01 0.00 0.00 58.87 58.23 1vdy n SER 41 Cb 0.69 -0.01 -0.11 0.00 -1.01 0.00 0.00 64.21 63.76 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 -1.67 2.90 0.76 6.43 0.01 0.20 -5.00 113.70 117.34 1vdy s SER 42 Ca 0.32 -0.90 -0.12 0.00 1.31 0.00 0.00 55.95 56.56 1vdy s SER 42 Cb 0.15 -0.19 0.05 0.00 0.21 0.00 0.00 66.02 66.25 1vdy s SER 42 CO 0.25 -0.01 1.12 -2.28 0.41 0.00 0.00 173.24 172.73 1vdy s HIS 43 N -2.13 2.38 0.51 2.43 2.46 -1.26 -4.83 115.29 114.84 1vdy s HIS 43 Ca 0.19 1.60 0.21 0.00 0.47 0.00 0.00 55.06 57.53 1vdy s HIS 43 Cb -0.05 -3.18 1.29 0.00 -0.13 0.00 0.00 32.58 30.51 1vdy s HIS 43 CO 0.08 -2.02 2.02 -0.24 -2.47 0.00 0.00 174.74 172.11 1vdy h VAL 44 N -0.84 0.82 0.00 0.89 3.04 -1.98 0.27 116.25 118.45 1vdy h VAL 44 Ca -0.45 -0.03 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 1vdy h VAL 44 Cb 1.25 0.73 0.00 0.00 -2.01 0.00 0.00 31.29 31.26 1vdy h VAL 44 CO 0.50 0.02 0.00 -1.28 -1.01 0.00 0.00 177.57 175.80 1vdy h SER 45 N 0.09 0.00 0.00 3.17 0.87 -2.00 -0.32 113.55 115.37 1vdy h SER 45 Ca 0.21 0.00 -0.41 0.00 -1.23 0.00 0.00 61.79 60.36 1vdy h SER 45 Cb 0.71 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.60 1vdy h SER 45 CO -0.02 0.00 -2.47 -0.38 -0.53 0.00 0.00 176.83 173.43 1vdy n ILE 46 N -2.40 1.51 -0.24 2.23 2.08 0.06 -3.70 119.36 118.91 1vdy n ILE 46 Ca -0.01 -0.51 -0.02 0.00 0.56 0.00 0.00 62.75 62.77 1vdy n ILE 46 Cb 0.06 -1.58 0.10 0.00 -0.75 0.00 0.00 39.64 37.47 1vdy n ILE 46 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 1vdy h VAL 47 N -0.31 1.01 0.30 1.39 2.07 -1.13 0.55 116.25 120.13 1vdy h VAL 47 Ca -0.61 -0.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 1vdy h VAL 47 Cb 1.81 0.18 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1vdy h VAL 47 CO -0.19 0.14 -0.14 0.11 0.02 0.00 0.00 177.57 177.51 1vdy h LYS 48 N 0.76 -0.39 -0.92 1.57 1.57 -1.29 -2.43 116.57 115.44 1vdy h LYS 48 Ca 0.30 0.03 0.08 0.00 -1.87 0.00 0.00 60.65 59.19 1vdy h LYS 48 Cb 0.14 0.09 -0.07 0.00 0.08 0.00 0.00 32.23 32.47 1vdy h LYS 48 CO -0.16 -0.18 0.57 0.93 -0.57 0.00 0.00 179.45 180.04 1vdy h GLU 49 N -0.52 0.97 -0.60 3.15 4.39 -1.53 -1.65 114.58 118.79 1vdy h GLU 49 Ca -0.04 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.60 1vdy h GLU 49 Cb 0.39 -0.22 -0.03 0.00 -0.10 0.00 0.00 28.75 28.79 1vdy h GLU 49 CO 0.07 0.64 0.36 0.74 -1.16 0.00 0.00 179.01 179.66 1vdy h PHE 50 N 1.00 0.79 -0.93 4.33 0.04 -0.76 -2.50 116.94 118.91 1vdy h PHE 50 Ca 0.42 -0.00 0.13 0.00 2.80 0.00 0.00 57.97 61.32 1vdy h PHE 50 Cb 0.28 -0.26 -0.09 0.00 2.20 0.00 0.00 35.95 38.08 1vdy h PHE 50 CO -0.02 0.54 0.55 0.77 -0.60 0.00 0.00 178.31 179.55 1vdy h SER 51 N 0.82 0.77 0.12 2.17 0.02 -0.80 -1.26 113.55 115.38 1vdy h SER 51 Ca 0.22 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.22 1vdy h SER 51 Cb -0.02 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.44 1vdy h SER 51 CO -0.04 0.39 -0.06 -0.33 -1.14 0.00 0.00 176.83 175.65 1vdy h GLU 52 N 0.84 -0.16 0.00 3.45 5.08 -1.22 -2.13 114.58 120.44 1vdy h GLU 52 Ca 0.48 0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.83 1vdy h GLU 52 Cb 0.54 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.82 1vdy h GLU 52 CO -0.29 0.01 -0.08 0.74 -1.00 0.00 0.00 179.01 178.38 1vdy h PHE 53 N -0.30 0.00 0.41 4.33 0.04 -1.18 -2.32 116.94 117.93 1vdy h PHE 53 Ca -0.02 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.73 1vdy h PHE 53 Cb 0.24 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.40 1vdy h PHE 53 CO -0.03 0.08 -0.20 0.82 -0.60 0.00 0.00 178.31 178.39 1vdy h ILE 54 N 0.00 0.30 -0.94 -0.55 2.04 -0.94 -3.29 117.51 114.12 1vdy h ILE 54 Ca -0.00 -0.62 0.20 0.00 1.00 0.00 0.00 64.86 65.43 1vdy h ILE 54 Cb 0.18 0.46 -0.08 0.00 -0.74 0.00 0.00 36.82 36.64 1vdy h ILE 54 CO 0.01 0.06 0.61 -0.07 0.00 0.00 0.00 178.15 178.76 1vdy h LEU 55 N -1.04 0.53 -1.65 1.44 3.38 -1.09 -0.50 115.31 116.38 1vdy h LEU 55 Ca -0.06 0.06 0.09 0.00 0.09 0.00 0.00 57.88 58.06 1vdy h LEU 55 Cb 0.53 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 1vdy h LEU 55 CO 0.09 0.21 0.37 0.11 0.09 0.00 0.00 178.44 179.31 1vdy h LYS 56 N 0.53 0.39 0.00 1.13 1.79 -1.49 -1.91 116.57 117.00 1vdy h LYS 56 Ca 0.51 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.93 1vdy h LYS 56 Cb 1.09 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 31.64 1vdy h LYS 56 CO -0.24 0.26 -0.11 0.00 -1.08 0.00 0.00 179.45 178.28 1vdy h ARG 57 N 0.40 0.00 0.00 3.15 -0.00 -1.21 -2.93 114.38 113.80 1vdy h ARG 57 Ca 0.25 0.00 -0.03 0.00 -0.50 0.00 0.00 59.98 59.70 1vdy h ARG 57 Cb 0.47 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.43 1vdy h ARG 57 CO -0.07 0.11 -0.14 -0.07 0.00 0.00 0.00 179.97 179.80 1vdy h LEU 58 N 0.00 0.00 0.00 3.04 -0.00 -1.48 -3.03 115.31 113.84 1vdy h LEU 58 Ca -0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.88 57.83 1vdy h LEU 58 Cb 0.51 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.17 1vdy h LEU 58 CO 0.01 0.14 -0.93 -0.78 -0.00 0.00 0.00 178.44 176.89 1vdy h ASP 59 N 0.00 0.00 -2.01 -0.43 3.58 -1.65 -3.48 116.42 112.43 1vdy h ASP 59 Ca -0.00 0.00 -0.64 0.00 0.42 0.00 0.00 57.03 56.81 1vdy h ASP 59 Cb 0.58 0.00 0.06 0.00 1.72 0.00 0.00 39.33 41.70 1vdy h ASP 59 CO 0.02 0.20 0.51 -3.20 -2.88 0.00 0.00 179.24 173.89 1vdy n ASN 60 N -2.84 2.06 0.26 2.28 2.85 -1.15 -4.90 115.26 113.83 1vdy n ASN 60 Ca -0.02 1.12 0.11 0.00 -0.11 0.00 0.00 54.58 55.68 1vdy n ASN 60 Cb 0.64 -1.28 0.70 0.00 1.24 0.00 0.00 39.78 41.07 1vdy n ASN 60 CO 0.00 0.00 0.00 0.50 -2.11 0.00 0.00 177.26 175.65 1vdy h LYS 61 N 4.56 0.00 -6.39 1.20 1.63 -1.92 -3.42 116.57 112.23 1vdy h LYS 61 Ca -0.46 0.00 -0.57 0.00 -0.85 0.00 0.00 60.65 58.77 1vdy h LYS 61 Cb 1.31 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.88 1vdy h LYS 61 CO 0.78 0.10 0.92 -1.12 -3.45 0.00 0.00 179.45 176.68 1vdy s SER 62 N -6.51 6.76 0.34 4.20 0.01 -1.26 -4.82 113.70 112.42 1vdy s SER 62 Ca -0.04 1.03 0.06 0.00 1.31 0.00 0.00 55.95 58.32 1vdy s SER 62 Cb 0.15 -2.54 0.73 0.00 0.21 0.00 0.00 66.02 64.57 1vdy s SER 62 CO 0.62 -1.03 1.88 1.55 0.41 0.00 0.00 173.24 176.66 1vdy h PRO 63 N 8.84 0.76 -0.12 12.44 0.13 -1.92 -2.71 132.00 149.42 1vdy h PRO 63 Ca -0.23 -0.05 0.04 0.00 -0.87 0.00 0.00 66.00 64.89 1vdy h PRO 63 Cb 1.08 -0.17 -0.05 0.00 0.13 0.00 0.00 31.00 31.98 1vdy h PRO 63 CO 1.05 0.50 -0.21 0.82 -0.23 0.00 0.00 178.00 179.93 1vdy h ILE 64 N 0.79 0.48 -0.82 -3.56 2.04 -1.92 -1.81 117.51 112.70 1vdy h ILE 64 Ca 0.43 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.46 1vdy h ILE 64 Cb 0.57 0.48 -0.11 0.00 -0.74 0.00 0.00 36.82 37.02 1vdy h ILE 64 CO -0.20 0.00 0.34 0.58 0.00 0.00 0.00 178.15 178.88 1vdy h VAL 65 N -0.28 0.60 0.53 1.67 2.07 -1.70 -1.78 116.25 117.36 1vdy h VAL 65 Ca 0.10 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.44 1vdy h VAL 65 Cb 0.42 0.11 0.01 0.00 -1.52 0.00 0.00 31.29 30.30 1vdy h VAL 65 CO -0.28 0.08 -0.25 0.11 0.02 0.00 0.00 177.57 177.25 1vdy h LYS 66 N 0.45 -0.68 -0.68 1.57 1.57 -1.36 -3.09 116.57 114.35 1vdy h LYS 66 Ca 0.47 0.05 0.13 0.00 -1.87 0.00 0.00 60.65 59.43 1vdy h LYS 66 Cb 0.78 0.15 -0.13 0.00 0.08 0.00 0.00 32.23 33.11 1vdy h LYS 66 CO -0.45 -0.45 -0.23 0.37 -0.57 0.00 0.00 179.45 178.12 1vdy h GLN 67 N -0.77 -0.05 -0.87 3.15 -0.00 -0.91 -0.59 115.11 115.06 1vdy h GLN 67 Ca -0.07 0.00 0.07 0.00 -0.00 0.00 0.00 58.65 58.65 1vdy h GLN 67 Cb 0.54 0.01 -0.07 0.00 0.00 0.00 0.00 27.48 27.97 1vdy h GLN 67 CO 0.12 -0.03 0.54 0.87 0.00 0.00 0.00 178.83 180.32 1vdy h LYS 68 N -0.05 0.92 -0.58 1.69 1.57 -1.42 -1.29 116.57 117.40 1vdy h LYS 68 Ca 0.31 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.93 1vdy h LYS 68 Cb 0.53 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 1vdy h LYS 68 CO -0.72 0.61 -0.05 0.00 -0.57 0.00 0.00 179.45 178.72 1vdy h ALA 69 N 1.43 0.81 -0.58 3.86 0.00 -1.06 -2.50 119.26 121.21 1vdy h ALA 69 Ca 0.39 -0.33 0.12 0.00 0.00 0.00 0.00 54.91 55.09 1vdy h ALA 69 Cb 0.23 -0.21 -0.09 0.00 0.00 0.00 0.00 17.79 17.72 1vdy h ALA 69 CO -0.20 0.67 0.04 -0.07 0.00 0.00 0.00 179.25 179.70 1vdy h LEU 70 N 0.96 -0.16 0.18 0.00 -0.00 -0.21 -0.95 115.31 115.12 1vdy h LEU 70 Ca 0.16 0.13 -0.01 0.00 -0.00 0.00 0.00 57.88 58.16 1vdy h LEU 70 Cb 0.61 0.22 0.00 0.00 -0.00 0.00 0.00 40.66 41.49 1vdy h LEU 70 CO 0.04 -0.06 -0.09 -0.09 -0.00 0.00 0.00 178.44 178.24 1vdy h ARG 71 N 0.16 -0.23 -1.00 1.13 9.65 -1.28 -3.02 114.38 119.79 1vdy h ARG 71 Ca 0.30 0.02 0.10 0.00 -1.10 0.00 0.00 59.98 59.30 1vdy h ARG 71 Cb 0.47 0.05 -0.08 0.00 -1.39 0.00 0.00 29.97 29.03 1vdy h ARG 71 CO -0.46 -0.11 0.63 1.25 2.80 0.00 0.00 179.97 184.09 1vdy h LEU 72 N -0.30 0.96 0.31 3.80 5.85 -0.82 -0.55 115.31 124.55 1vdy h LEU 72 Ca -0.02 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1vdy h LEU 72 Cb 0.23 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 1vdy h LEU 72 CO 0.04 0.55 -0.47 0.40 -0.34 0.00 0.00 178.44 178.61 1vdy h ILE 73 N 1.05 0.07 -0.21 4.05 2.04 -1.09 0.24 117.51 123.66 1vdy h ILE 73 Ca 0.47 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 66.26 1vdy h ILE 73 Cb 0.38 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 1vdy h ILE 73 CO -0.23 0.00 -0.19 0.07 0.00 0.00 0.00 178.15 177.81 1vdy h LYS 74 N -0.84 0.36 -0.31 2.37 2.10 -1.45 0.68 116.57 119.48 1vdy h LYS 74 Ca -0.02 -0.11 -0.04 0.00 -2.00 0.00 0.00 60.65 58.47 1vdy h LYS 74 Cb 0.78 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 32.07 1vdy h LYS 74 CO -0.16 0.54 0.02 -0.92 -2.00 0.00 0.00 179.45 176.93 1vdy h TYR 75 N 0.33 0.58 -0.09 0.07 5.03 -0.58 -3.31 116.97 119.00 1vdy h TYR 75 Ca 0.06 -0.09 -0.13 0.00 2.58 0.00 0.00 58.73 61.15 1vdy h TYR 75 Cb 0.52 -0.15 0.01 0.00 1.55 0.00 0.00 36.73 38.66 1vdy h TYR 75 CO 0.01 0.65 -0.45 0.00 -1.32 0.00 0.00 178.16 177.05 1vdy h ALA 76 N 0.86 0.18 -2.33 1.82 0.00 -0.34 -3.44 119.26 116.01 1vdy h ALA 76 Ca 0.09 -0.49 -0.52 0.00 0.00 0.00 0.00 54.91 54.00 1vdy h ALA 76 Cb 0.41 -0.01 0.15 0.00 0.00 0.00 0.00 17.79 18.34 1vdy h ALA 76 CO 0.01 0.33 0.30 0.54 0.00 0.00 0.00 179.25 180.43 1vdy s VAL 77 N -3.67 2.90 0.00 0.00 0.11 0.21 -1.69 120.40 118.26 1vdy s VAL 77 Ca -0.13 0.31 0.00 0.00 -2.93 0.00 0.00 61.98 59.23 1vdy s VAL 77 Cb 0.05 -2.66 0.00 0.00 -1.53 0.00 0.00 36.38 32.24 1vdy s VAL 77 CO 0.81 -0.37 0.00 0.61 -3.33 0.00 0.00 175.10 172.83 1vdy n GLY 78 N -0.67 0.33 0.00 6.54 0.00 -1.26 -4.60 105.19 105.53 1vdy n GLY 78 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -1.33 0.00 0.24 1.61 2.85 -1.20 -4.97 118.16 115.36 1vdy n LYS 79 Ca 0.00 0.00 -0.15 0.00 -1.05 0.00 0.00 58.31 57.11 1vdy n LYS 79 Cb 0.18 -0.28 -0.08 0.00 -0.65 0.00 0.00 35.03 34.19 1vdy n LYS 79 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 1vdy h SER 80 N 0.00 -0.49 0.00 -5.58 4.64 -1.58 -3.48 113.55 107.06 1vdy h SER 80 Ca 0.00 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1vdy h SER 80 Cb 0.00 0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1vdy h SER 80 CO 0.00 -0.25 0.00 0.61 -0.87 0.00 0.00 176.83 176.32 1vdy n GLY 81 N -0.96 2.28 0.32 -0.77 0.00 -1.26 -4.23 105.19 100.57 1vdy n GLY 81 Ca -0.11 -0.72 0.04 0.00 0.00 0.00 0.00 46.02 45.23 1vdy n GLY 81 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1vdy h SER 82 N 0.00 0.52 0.21 1.61 4.64 -1.99 -2.79 113.55 115.75 1vdy h SER 82 Ca 0.00 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 1vdy h SER 82 Cb 0.00 -0.13 -0.00 0.00 -0.31 0.00 0.00 62.40 61.96 1vdy h SER 82 CO 0.00 0.37 -0.11 -0.33 -0.87 0.00 0.00 176.83 175.88 1vdy h GLU 83 N 0.61 -0.29 -0.77 4.77 4.39 -2.00 -2.31 114.58 118.97 1vdy h GLU 83 Ca 0.19 0.02 0.10 0.00 0.34 0.00 0.00 59.36 60.00 1vdy h GLU 83 Cb 0.01 0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 28.65 1vdy h GLU 83 CO -0.04 -0.20 0.41 0.35 -1.16 0.00 0.00 179.01 178.37 1vdy h PHE 84 N -0.30 0.74 -0.03 4.33 3.57 -1.86 -1.87 116.94 121.51 1vdy h PHE 84 Ca -0.02 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.51 1vdy h PHE 84 Cb 0.24 -0.21 -0.00 0.00 2.79 0.00 0.00 35.95 38.77 1vdy h PHE 84 CO -0.07 0.28 0.02 -0.09 -2.23 0.00 0.00 178.31 176.21 1vdy h ARG 85 N 0.68 0.04 0.08 1.11 2.43 -1.41 -0.74 114.38 116.57 1vdy h ARG 85 Ca 0.38 -0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.57 1vdy h ARG 85 Cb 0.38 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.88 1vdy h ARG 85 CO -0.26 0.04 -0.36 0.00 -1.51 0.00 0.00 179.97 177.88 1vdy h ARG 86 N 0.03 -0.54 -0.33 0.20 2.47 -0.79 -0.92 114.38 114.50 1vdy h ARG 86 Ca 0.01 0.04 -0.07 0.00 -1.26 0.00 0.00 59.98 58.69 1vdy h ARG 86 Cb 0.01 0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.44 1vdy h ARG 86 CO -0.00 -0.36 -0.11 0.93 0.56 0.00 0.00 179.97 180.99 1vdy h GLU 87 N -0.56 0.55 -0.46 0.04 4.39 -1.51 -1.99 114.58 115.04 1vdy h GLU 87 Ca 0.04 -0.16 -0.03 0.00 0.34 0.00 0.00 59.36 59.55 1vdy h GLU 87 Cb 0.61 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.18 1vdy h GLU 87 CO -0.24 0.66 0.17 1.98 -1.16 0.00 0.00 179.01 180.42 1vdy h MET 88 N 0.51 0.66 -0.56 2.33 4.05 -0.43 -2.03 114.93 119.46 1vdy h MET 88 Ca 0.09 -0.10 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 1vdy h MET 88 Cb 0.50 -0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 31.15 1vdy h MET 88 CO 0.03 0.56 0.28 1.96 0.23 0.00 0.00 176.91 179.96 1vdy h GLN 89 N 0.65 0.80 0.00 0.39 1.08 -0.42 0.32 115.11 117.93 1vdy h GLN 89 Ca 0.16 -0.11 -0.04 0.00 -1.45 0.00 0.00 58.65 57.20 1vdy h GLN 89 Cb 0.15 -0.15 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 1vdy h GLN 89 CO -0.01 0.65 -0.19 0.00 -0.95 0.00 0.00 178.83 178.33 1vdy h ARG 90 N 0.76 0.00 -0.28 1.46 -0.00 -1.15 -2.66 114.38 112.51 1vdy h ARG 90 Ca 0.19 0.00 -0.03 0.00 -0.50 0.00 0.00 59.98 59.65 1vdy h ARG 90 Cb 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.06 1vdy h ARG 90 CO -0.03 0.19 0.00 0.09 0.00 0.00 0.00 179.97 180.22 1vdy n ASN 91 N -4.22 3.73 0.04 7.04 3.02 -0.97 -4.57 115.26 119.34 1vdy n ASN 91 Ca -0.02 -3.11 0.12 0.00 -0.03 0.00 0.00 54.58 51.54 1vdy n ASN 91 Cb 0.25 -0.56 0.48 0.00 -0.61 0.00 0.00 39.78 39.34 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 0.25 0.16 6.41 3.41 0.06 -3.22 113.62 120.11 1vdy n SER 92 Ca 0.23 0.54 0.11 0.00 -0.26 0.00 0.00 58.87 59.49 1vdy n SER 92 Cb 0.92 -0.60 0.64 0.00 -0.26 0.00 0.00 64.21 64.91 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 0.93 -0.37 -3.33 3.04 -1.80 -1.56 116.25 113.16 1vdy h VAL 93 Ca 0.00 -0.01 0.03 0.00 -1.01 0.00 0.00 66.70 65.71 1vdy h VAL 93 Cb 0.46 0.89 -0.03 0.00 -2.01 0.00 0.00 31.29 30.60 1vdy h VAL 93 CO 0.00 0.01 0.17 0.00 -1.01 0.00 0.00 177.57 176.74 1vdy h ALA 94 N 1.90 0.45 -0.33 3.17 0.00 -1.94 -0.18 119.26 122.34 1vdy h ALA 94 Ca 0.09 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1vdy h ALA 94 Cb 0.30 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1vdy h ALA 94 CO -0.00 -0.20 -0.12 0.28 0.00 0.00 0.00 179.25 179.20 1vdy h VAL 95 N 0.36 1.29 -0.29 0.00 2.07 -1.55 -3.06 116.25 115.06 1vdy h VAL 95 Ca 0.16 -1.21 -0.02 0.00 0.82 0.00 0.00 66.70 66.45 1vdy h VAL 95 Cb 0.08 1.38 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1vdy h VAL 95 CO -0.12 0.39 0.11 0.03 0.02 0.00 0.00 177.57 178.00 1vdy h ARG 96 N 0.45 0.40 0.00 1.57 3.08 -0.89 -1.59 114.38 117.39 1vdy h ARG 96 Ca 0.08 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.08 1vdy h ARG 96 Cb 0.64 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.61 1vdy h ARG 96 CO 0.04 0.34 0.00 -2.95 -1.07 0.00 0.00 179.97 176.33 1vdy h ASN 97 N 0.40 0.00 0.62 7.04 7.08 -0.93 -2.67 115.58 127.12 1vdy h ASN 97 Ca 0.10 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.32 1vdy h ASN 97 Cb 0.09 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.33 1vdy h ASN 97 CO -0.01 0.00 -0.14 0.18 -2.08 0.00 0.00 177.43 175.38 1vdy n LEU 98 N -2.71 0.27 0.01 6.14 4.77 -0.60 -4.04 117.00 120.84 1vdy n LEU 98 Ca 0.01 0.20 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 1vdy n LEU 98 Cb 0.25 -0.31 0.02 0.00 -2.33 0.00 0.00 43.42 41.04 1vdy n LEU 98 CO 0.23 0.06 0.51 0.49 -1.33 0.00 0.00 177.39 177.35 1vdy n PHE 99 N -1.28 0.02 -2.24 -1.77 3.72 -1.01 -1.03 117.46 113.88 1vdy n PHE 99 Ca 0.10 0.01 0.01 0.00 -0.05 0.00 0.00 57.45 57.53 1vdy n PHE 99 Cb 0.30 -0.43 0.00 0.00 -0.94 0.00 0.00 39.48 38.41 1vdy n PHE 99 CO 0.00 0.00 0.00 -2.39 -0.05 0.00 0.00 176.76 174.32 1vdy n HIS 100 N -1.44 0.00 -1.84 1.38 1.44 -1.26 -5.08 115.22 108.43 1vdy n HIS 100 Ca -0.00 -0.29 -0.39 0.00 -2.01 0.00 0.00 57.72 55.03 1vdy n HIS 100 Cb 0.09 -0.02 -0.03 0.00 0.12 0.00 0.00 29.99 30.15 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 1.45 0.10 -1.40 5.04 -0.20 -4.79 117.35 117.55 1vdy s TYR 101 Ca 0.16 0.99 0.03 0.00 -2.44 0.00 0.00 57.07 55.82 1vdy s TYR 101 Cb 0.19 -3.92 -0.24 0.00 0.35 0.00 0.00 41.96 38.34 1vdy s TYR 101 CO -0.08 -2.66 1.20 -0.22 -1.34 0.00 0.00 175.55 172.45 1vdy h LYS 102 N 16.10 0.09 0.00 4.97 3.64 -1.92 -3.43 116.57 136.02 1vdy h LYS 102 Ca -0.28 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 58.94 1vdy h LYS 102 Cb 1.20 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 1vdy h LYS 102 CO 1.14 1.06 0.00 0.41 -2.27 0.00 0.00 179.45 179.79 1vdy n GLY 103 N 1.42 -1.50 3.89 5.01 0.00 -1.26 -4.76 105.19 107.98 1vdy n GLY 103 Ca -0.04 -1.24 -0.33 0.00 0.00 0.00 0.00 46.02 44.41 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 3.52 -0.02 1.61 0.09 -1.26 -5.08 115.29 114.15 1vdy s HIS 104 Ca 0.00 0.34 -0.30 0.00 -0.00 0.00 0.00 55.06 55.10 1vdy s HIS 104 Cb 0.00 -1.82 -0.04 0.00 -0.00 0.00 0.00 32.58 30.72 1vdy s HIS 104 CO 0.00 0.64 1.16 -1.25 -0.00 0.00 0.00 174.74 175.29 1vdy s PRO 105 N -1.90 4.41 0.49 8.40 0.04 -1.26 -4.89 135.00 140.29 1vdy s PRO 105 Ca 0.26 1.65 -0.04 0.00 0.04 0.00 0.00 61.00 62.91 1vdy s PRO 105 Cb -0.13 -3.48 -0.02 0.00 0.04 0.00 0.00 34.50 30.91 1vdy s PRO 105 CO 0.18 -0.33 0.78 -0.51 0.04 0.00 0.00 177.00 177.16 1vdy s ASP 106 N 1.26 6.10 0.33 6.66 1.01 -1.22 -4.91 116.67 125.90 1vdy s ASP 106 Ca 0.56 0.78 0.18 0.00 0.71 0.00 0.00 52.55 54.78 1vdy s ASP 106 Cb -0.25 -2.06 0.36 0.00 1.01 0.00 0.00 42.92 41.98 1vdy s ASP 106 CO 0.25 -0.66 1.58 1.55 0.21 0.00 0.00 175.17 178.10 1vdy h PRO 107 N 0.21 0.00 0.00 8.23 0.13 -1.96 -3.24 132.00 135.37 1vdy h PRO 107 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1vdy h PRO 107 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1vdy h PRO 107 CO 0.61 0.41 -0.24 1.28 -0.23 0.00 0.00 178.00 179.83 1vdy n LEU 108 N -3.32 0.84 -0.01 1.56 4.32 -1.26 -4.88 117.00 114.26 1vdy n LEU 108 Ca 0.01 0.42 -0.00 0.00 -0.02 0.00 0.00 56.01 56.42 1vdy n LEU 108 Cb 0.63 -0.67 -0.00 0.00 -1.62 0.00 0.00 43.42 41.75 1vdy n LEU 108 CO 0.38 -0.49 -0.04 0.11 -1.22 0.00 0.00 177.39 176.14 1vdy h LYS 109 N -0.46 0.00 0.00 3.23 1.57 -2.00 -3.50 116.57 115.41 1vdy h LYS 109 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1vdy h LYS 109 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 1vdy h LYS 109 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 1vdy n GLY 110 N 1.75 2.18 2.66 3.86 0.00 -1.22 -4.74 105.19 109.68 1vdy n GLY 110 Ca -0.01 -0.69 -0.25 0.00 0.00 0.00 0.00 46.02 45.07 1vdy n GLY 110 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1vdy n ASP 111 N 1.73 4.14 0.06 1.61 -0.08 -1.26 -3.43 116.55 119.33 1vdy n ASP 111 Ca 0.00 -3.59 0.00 0.00 -1.51 0.00 0.00 54.79 49.69 1vdy n ASP 111 Cb 0.00 -0.52 0.00 0.00 2.34 0.00 0.00 41.12 42.94 1vdy n ASP 111 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1vdy n ALA 112 N -0.31 3.00 -0.32 -1.67 0.00 -1.26 -4.58 120.51 115.37 1vdy n ALA 112 Ca 0.33 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.85 1vdy n ALA 112 Cb 0.56 0.13 0.24 0.00 0.00 0.00 0.00 19.45 20.38 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 0.00 0.66 -0.60 0.00 4.07 -1.97 -1.08 115.31 116.40 1vdy h LEU 113 Ca 0.00 0.08 -0.05 0.00 0.08 0.00 0.00 57.88 57.99 1vdy h LEU 113 Cb 0.00 -0.03 -0.02 0.00 1.08 0.00 0.00 40.66 41.68 1vdy h LEU 113 CO 0.00 0.29 0.16 -0.55 -1.08 0.00 0.00 178.44 177.26 1vdy h ASN 114 N 0.72 0.89 -0.74 -0.43 7.08 -1.89 -3.14 115.58 118.09 1vdy h ASN 114 Ca 0.49 -0.22 0.12 0.00 -3.08 0.00 0.00 56.30 53.60 1vdy h ASN 114 Cb 0.66 -0.24 -0.08 0.00 -2.08 0.00 0.00 38.32 36.58 1vdy h ASN 114 CO -0.34 0.88 0.33 0.50 -2.08 0.00 0.00 177.43 176.72 1vdy h LYS 115 N 0.86 0.51 -0.38 4.14 3.11 -1.44 -1.42 116.57 121.95 1vdy h LYS 115 Ca 0.19 -0.03 0.07 0.00 -2.81 0.00 0.00 60.65 58.07 1vdy h LYS 115 Cb 0.33 -0.11 -0.02 0.00 -1.00 0.00 0.00 32.23 31.43 1vdy h LYS 115 CO -0.00 0.33 0.26 0.00 -2.81 0.00 0.00 179.45 177.24 1vdy h ALA 116 N 1.49 2.12 0.82 5.00 0.00 -1.48 -1.96 119.26 125.24 1vdy h ALA 116 Ca 0.39 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.24 1vdy h ALA 116 Cb 0.51 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.28 1vdy h ALA 116 CO -0.34 -0.20 -0.39 0.28 0.00 0.00 0.00 179.25 178.59 1vdy h VAL 117 N 0.19 0.14 -0.87 0.00 2.07 -1.36 -2.66 116.25 113.76 1vdy h VAL 117 Ca 0.17 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.64 1vdy h VAL 117 Cb 0.45 0.16 -0.05 0.00 -1.52 0.00 0.00 31.29 30.33 1vdy h VAL 117 CO -0.03 0.01 0.57 0.08 0.02 0.00 0.00 177.57 178.22 1vdy h ARG 118 N -1.17 1.08 -0.25 1.57 -0.00 -1.47 -0.40 114.38 113.74 1vdy h ARG 118 Ca -0.11 -0.07 0.03 0.00 -0.00 0.00 0.00 59.98 59.83 1vdy h ARG 118 Cb 0.86 -0.24 -0.03 0.00 -0.00 0.00 0.00 29.97 30.55 1vdy h ARG 118 CO 0.19 0.72 0.08 0.93 -0.00 0.00 0.00 179.97 181.88 1vdy h GLU 119 N 1.11 0.19 -0.31 0.08 5.08 -1.31 -2.42 114.58 117.00 1vdy h GLU 119 Ca 0.34 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.55 1vdy h GLU 119 Cb -0.03 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 1vdy h GLU 119 CO -0.09 0.12 -0.37 1.15 -1.00 0.00 0.00 179.01 178.82 1vdy h THR 120 N 0.19 1.29 -0.98 1.13 2.02 -1.08 -3.24 112.91 112.23 1vdy h THR 120 Ca 0.11 -1.53 0.15 0.00 0.77 0.00 0.00 66.41 65.91 1vdy h THR 120 Cb 0.08 1.44 -0.09 0.00 -1.74 0.00 0.00 68.15 67.85 1vdy h THR 120 CO -0.12 0.50 0.62 0.00 0.37 0.00 0.00 175.52 176.88 1vdy h ALA 121 N 1.00 1.66 0.44 6.16 0.00 -0.57 -1.03 119.26 126.91 1vdy h ALA 121 Ca 0.06 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 1vdy h ALA 121 Cb 0.90 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1vdy h ALA 121 CO 0.08 0.05 -0.21 0.45 0.00 0.00 0.00 179.25 179.62 1vdy h HIS 122 N 0.84 -0.55 0.00 0.00 3.86 -1.56 -2.33 115.15 115.41 1vdy h HIS 122 Ca 0.51 -0.01 -0.03 0.00 -1.16 0.00 0.00 60.37 59.68 1vdy h HIS 122 Cb 0.69 0.18 -0.00 0.00 1.06 0.00 0.00 27.41 29.34 1vdy h HIS 122 CO -0.00 -0.31 -0.14 0.93 0.86 0.00 0.00 177.93 179.27 1vdy h GLU 123 N -0.65 0.00 -0.08 2.45 4.39 -1.54 -2.47 114.58 116.67 1vdy h GLU 123 Ca -0.06 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1vdy h GLU 123 Cb 0.49 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 1vdy h GLU 123 CO 0.10 0.14 0.01 1.15 -1.16 0.00 0.00 179.01 179.25 1vdy h THR 124 N 0.00 1.23 -0.84 1.13 2.02 -1.00 -2.72 112.91 112.73 1vdy h THR 124 Ca -0.00 -0.71 -0.03 0.00 0.77 0.00 0.00 66.41 66.45 1vdy h THR 124 Cb 0.25 1.54 -0.04 0.00 -1.74 0.00 0.00 68.15 68.16 1vdy h THR 124 CO 0.02 0.20 0.42 0.40 0.37 0.00 0.00 175.52 176.93 1vdy h ILE 125 N -0.11 1.26 -0.23 3.11 1.08 -1.06 -1.96 117.51 119.60 1vdy h ILE 125 Ca 0.02 -0.69 0.07 0.00 -0.39 0.00 0.00 64.86 63.87 1vdy h ILE 125 Cb 0.30 0.16 -0.01 0.00 -3.07 0.00 0.00 36.82 34.21 1vdy h ILE 125 CO 0.00 0.30 0.19 0.28 -0.69 0.00 0.00 178.15 178.23 1vdy h SER 126 N 1.19 0.00 0.13 1.72 0.02 -1.32 -1.80 113.55 113.48 1vdy h SER 126 Ca 0.29 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 61.05 1vdy h SER 126 Cb 0.09 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.64 1vdy h SER 126 CO -0.04 0.00 -0.90 0.00 -1.14 0.00 0.00 176.83 174.75 1vdy h ALA 127 N 1.83 -0.04 0.74 3.77 0.00 -1.05 -3.06 119.26 121.45 1vdy h ALA 127 Ca 0.11 -0.77 -0.04 0.00 0.00 0.00 0.00 54.91 54.22 1vdy h ALA 127 Cb 0.49 0.17 0.01 0.00 0.00 0.00 0.00 17.79 18.46 1vdy h ALA 127 CO -0.00 0.45 -0.37 0.82 0.00 0.00 0.00 179.25 180.14 1vdy h ILE 128 N -0.39 0.24 -0.43 0.00 2.04 -0.86 -2.91 117.51 115.20 1vdy h ILE 128 Ca -0.17 0.00 -0.23 0.00 1.00 0.00 0.00 64.86 65.47 1vdy h ILE 128 Cb 1.64 0.24 -0.13 0.00 -0.74 0.00 0.00 36.82 37.83 1vdy h ILE 128 CO 0.13 0.00 0.29 0.49 0.00 0.00 0.00 178.15 179.05 1vdy n PHE 129 N -5.53 1.33 -1.87 1.37 3.01 -0.74 -4.92 117.46 110.11 1vdy n PHE 129 Ca -0.14 -1.10 -0.41 0.00 1.01 0.00 0.00 57.45 56.81 1vdy n PHE 129 Cb 0.41 -0.56 -0.03 0.00 -0.01 0.00 0.00 39.48 39.30 1vdy n PHE 129 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1vdy s SER 130 N 0.01 5.43 0.79 4.37 0.15 -1.10 -4.97 113.70 118.38 1vdy s SER 130 Ca 0.25 1.13 -0.11 0.00 0.70 0.00 0.00 55.95 57.92 1vdy s SER 130 Cb 0.21 -2.52 0.08 0.00 -1.71 0.00 0.00 66.02 62.08 1vdy s SER 130 CO 0.05 -2.11 1.14 -1.61 1.20 0.00 0.00 173.24 171.92 1vdy s GLU 131 N 6.54 1.95 0.00 5.44 0.41 -1.26 -5.03 118.70 126.74 1vdy s GLU 131 Ca 0.83 -0.02 0.00 0.00 -0.41 0.00 0.00 54.97 55.37 1vdy s GLU 131 Cb -0.21 -2.00 0.00 0.00 -1.78 0.00 0.00 34.13 30.14 1vdy s GLU 131 CO 0.29 -1.55 0.00 -1.91 -0.49 0.00 0.00 175.26 171.60 1vdy n GLU 132 N -3.24 0.00 -4.43 1.61 4.07 -1.26 -5.07 120.64 112.32 1vdy n GLU 132 Ca 0.08 0.00 -0.33 0.00 -0.06 0.00 0.00 57.16 56.86 1vdy n GLU 132 Cb 0.61 -0.46 -0.16 0.00 -0.06 0.00 0.00 31.44 31.36 1vdy n GLU 132 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1vdy s ASN 133 N -1.43 3.21 0.00 4.31 4.22 -1.26 -5.07 114.94 118.92 1vdy s ASN 133 Ca 0.00 -0.60 0.00 0.00 -2.14 0.00 0.00 52.86 50.12 1vdy s ASN 133 Cb 0.00 -1.48 0.00 0.00 1.28 0.00 0.00 41.25 41.05 1vdy s ASN 133 CO 0.00 0.05 0.00 0.61 -2.04 0.00 0.00 177.10 175.72 1vdy n GLY 134 N 4.30 0.10 2.03 0.45 0.00 -1.26 -5.12 105.19 105.69 1vdy n GLY 134 Ca -0.20 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.55 1vdy n GLY 134 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1vdy n SER 135 N 0.00 -0.74 0.00 1.61 7.64 -1.26 -5.18 113.62 115.69 1vdy n SER 135 Ca 0.00 0.44 0.00 0.00 1.01 0.00 0.00 58.87 60.32 1vdy n SER 135 Cb 0.00 0.86 0.00 0.00 -1.01 0.00 0.00 64.21 64.06 1vdy n SER 135 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1vdy n GLY 136 N 0.93 -0.23 0.08 0.23 0.00 -1.26 -4.59 105.19 100.36 1vdy n GLY 136 Ca 0.00 -1.82 0.11 0.00 0.00 0.00 0.00 46.02 44.31 1vdy n GLY 136 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1vdy n PRO 137 N -0.23 0.15 -2.73 1.61 -0.04 -1.26 -4.90 135.00 127.60 1vdy n PRO 137 Ca 0.00 0.31 -0.15 0.00 -0.04 0.00 0.00 63.50 63.61 1vdy n PRO 137 Cb 0.00 -1.74 -0.00 0.00 -0.04 0.00 0.00 33.50 31.72 1vdy n PRO 137 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1vdy n SER 138 N -2.01 -3.81 -4.63 3.54 7.64 -1.26 -4.86 113.62 108.23 1vdy n SER 138 Ca 0.04 0.02 -0.43 0.00 1.01 0.00 0.00 58.87 59.51 1vdy n SER 138 Cb 0.26 -3.21 -0.03 0.00 -1.01 0.00 0.00 64.21 60.22 1vdy n SER 138 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1vdy s SER 139 N -2.26 5.95 0.00 6.43 1.04 -1.26 -5.31 113.70 118.30 1vdy s SER 139 Ca 0.13 2.16 0.00 0.00 0.48 0.00 0.00 55.95 58.72 1vdy s SER 139 Cb -0.07 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.53 1vdy s SER 139 CO 0.16 -1.53 0.00 0.61 0.98 0.00 0.00 173.24 173.46