#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 1.16 -3.55 1.61 7.64 -1.26 -5.04 113.62 114.19 1vdy n SER 2 Ca 0.00 0.81 -0.15 0.00 1.01 0.00 0.00 58.87 60.54 1vdy n SER 2 Cb 0.00 -1.44 -0.06 0.00 -1.01 0.00 0.00 64.21 61.70 1vdy n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1vdy s SER 3 N -1.29 -0.59 1.10 6.43 0.15 -1.26 -5.18 113.70 113.06 1vdy s SER 3 Ca 0.78 0.72 -0.18 0.00 0.70 0.00 0.00 55.95 57.96 1vdy s SER 3 Cb -0.40 0.58 0.26 0.00 -1.71 0.00 0.00 66.02 64.74 1vdy s SER 3 CO 0.45 -0.49 1.24 -0.83 1.20 0.00 0.00 173.24 174.81 1vdy s GLY 4 N -0.96 1.70 0.26 9.45 0.00 -1.26 -5.11 107.32 111.41 1vdy s GLY 4 Ca -0.07 -1.16 -0.12 0.00 0.00 0.00 0.00 44.72 43.37 1vdy s GLY 4 CO 0.06 -0.30 0.63 -1.26 0.00 0.00 0.00 173.10 172.23 1vdy n SER 5 N -4.30 -1.63 0.28 1.64 2.88 -1.26 -5.05 113.62 106.18 1vdy n SER 5 Ca 0.15 -2.08 0.18 0.00 -1.33 0.00 0.00 58.87 55.79 1vdy n SER 5 Cb 0.59 2.70 0.74 0.00 -0.75 0.00 0.00 64.21 67.50 1vdy n SER 5 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1vdy h SER 6 N 1.47 0.00 -0.00 -3.46 0.87 -2.07 -3.47 113.55 106.88 1vdy h SER 6 Ca -0.24 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.32 1vdy h SER 6 Cb 0.91 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.87 1vdy h SER 6 CO 0.31 0.00 0.00 0.61 -0.53 0.00 0.00 176.83 177.22 1vdy n GLY 7 N -0.09 2.78 0.60 5.77 0.00 -1.26 -4.98 105.19 108.01 1vdy n GLY 7 Ca 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.07 1vdy n GLY 7 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1vdy n GLU 8 N -1.00 1.13 0.12 1.61 0.28 -1.26 -4.28 120.64 117.24 1vdy n GLU 8 Ca 0.00 -0.11 0.08 0.00 -0.16 0.00 0.00 57.16 56.97 1vdy n GLU 8 Cb 0.00 -1.48 0.56 0.00 1.43 0.00 0.00 31.44 31.95 1vdy n GLU 8 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 1vdy h SER 9 N 0.13 0.18 -0.39 -1.84 0.02 -2.01 -2.95 113.55 106.69 1vdy h SER 9 Ca 0.00 -0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 1vdy h SER 9 Cb 0.60 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 1vdy h SER 9 CO 0.02 0.13 -0.03 0.10 -1.14 0.00 0.00 176.83 175.91 1vdy h TYR 10 N 0.22 0.79 0.08 3.45 -0.00 -2.00 -2.37 116.97 117.14 1vdy h TYR 10 Ca 0.10 -0.15 0.02 0.00 0.00 0.00 0.00 58.73 58.70 1vdy h TYR 10 Cb 0.12 -0.20 -0.04 0.00 0.00 0.00 0.00 36.73 36.61 1vdy h TYR 10 CO -0.00 0.82 -0.34 2.35 -0.00 0.00 0.00 178.16 180.99 1vdy h TRP 11 N 0.54 -0.92 0.49 0.10 -0.00 -1.87 0.18 115.95 114.46 1vdy h TRP 11 Ca 0.11 0.02 -0.02 0.00 -0.00 0.00 0.00 58.89 59.00 1vdy h TRP 11 Cb 0.53 0.40 0.00 0.00 -0.00 0.00 0.00 29.16 30.09 1vdy h TRP 11 CO 0.04 -0.44 -0.24 0.00 -0.00 0.00 0.00 178.44 177.81 1vdy h ARG 12 N -0.54 -0.64 -0.43 2.65 3.08 -1.64 -3.09 114.38 113.78 1vdy h ARG 12 Ca 0.04 0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.17 1vdy h ARG 12 Cb 0.59 0.15 -0.04 0.00 0.08 0.00 0.00 29.97 30.74 1vdy h ARG 12 CO -0.22 -0.42 0.20 0.66 -1.07 0.00 0.00 179.97 179.11 1vdy h SER 13 N -0.67 0.27 -0.83 7.04 4.64 -1.28 -2.97 113.55 119.76 1vdy h SER 13 Ca -0.07 0.03 0.20 0.00 -0.47 0.00 0.00 61.79 61.49 1vdy h SER 13 Cb 0.51 -0.02 -0.13 0.00 -0.31 0.00 0.00 62.40 62.45 1vdy h SER 13 CO 0.11 0.19 0.19 0.03 -0.87 0.00 0.00 176.83 176.49 1vdy h ARG 14 N 0.40 0.21 0.86 4.77 2.47 -0.88 0.14 114.38 122.36 1vdy h ARG 14 Ca 0.19 -0.01 -0.04 0.00 -1.26 0.00 0.00 59.98 58.85 1vdy h ARG 14 Cb 0.12 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.39 1vdy h ARG 14 CO -0.15 0.14 -0.46 0.52 0.56 0.00 0.00 179.97 180.59 1vdy h MET 15 N 0.22 -1.17 -0.17 0.04 2.86 -1.48 -1.67 114.93 113.56 1vdy h MET 15 Ca 0.50 0.08 0.01 0.00 -2.06 0.00 0.00 59.70 58.22 1vdy h MET 15 Cb 0.94 0.27 -0.01 0.00 0.06 0.00 0.00 31.60 32.86 1vdy h MET 15 CO -0.61 -0.78 0.09 0.82 1.06 0.00 0.00 176.91 177.49 1vdy h ILE 16 N -1.21 1.01 -0.45 -1.22 1.08 -1.43 -3.00 117.51 112.29 1vdy h ILE 16 Ca -0.12 -0.07 0.09 0.00 -0.39 0.00 0.00 64.86 64.37 1vdy h ILE 16 Cb 0.95 0.80 -0.08 0.00 -3.07 0.00 0.00 36.82 35.41 1vdy h ILE 16 CO 0.17 0.04 -0.04 -0.78 -0.69 0.00 0.00 178.15 176.84 1vdy h ASP 17 N 0.20 -0.27 -0.26 1.72 3.58 -0.71 -2.15 116.42 118.53 1vdy h ASP 17 Ca 0.07 0.12 -0.05 0.00 0.42 0.00 0.00 57.03 57.58 1vdy h ASP 17 Cb 0.00 0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.26 1vdy h ASP 17 CO -0.04 -0.09 0.01 0.00 -2.88 0.00 0.00 179.24 176.24 1vdy h ALA 18 N 1.42 1.34 -0.02 -0.78 0.00 -1.18 -0.81 119.26 119.23 1vdy h ALA 18 Ca 0.22 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1vdy h ALA 18 Cb 0.33 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1vdy h ALA 18 CO -0.41 0.45 0.00 1.33 0.00 0.00 0.00 179.25 180.63 1vdy n VAL 19 N -4.28 0.02 -1.85 0.00 0.24 -0.87 -3.36 118.33 108.24 1vdy n VAL 19 Ca 0.02 -0.11 0.05 0.00 -2.04 0.00 0.00 64.34 62.26 1vdy n VAL 19 Cb 0.24 -0.08 0.11 0.00 -1.47 0.00 0.00 33.84 32.63 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 -0.49 1.12 -1.34 3.34 -2.24 -0.47 -4.70 114.28 109.50 1vdy n THR 20 Ca 0.20 -1.86 -0.35 0.00 -2.27 0.00 0.00 64.05 59.77 1vdy n THR 20 Cb 0.20 0.26 0.10 0.00 -2.10 0.00 0.00 70.33 68.79 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 -0.50 1.31 -4.01 3.42 7.64 -0.43 -4.78 113.62 116.26 1vdy n SER 21 Ca 0.11 0.68 -0.42 0.00 1.01 0.00 0.00 58.87 60.25 1vdy n SER 21 Cb 0.83 -1.51 -0.00 0.00 -1.01 0.00 0.00 64.21 62.51 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 -2.62 4.16 -3.77 6.43 5.75 -1.26 -4.78 116.55 120.46 1vdy n ASP 22 Ca 0.14 -2.86 -0.13 0.00 -0.01 0.00 0.00 54.79 51.94 1vdy n ASP 22 Cb 0.49 -1.67 -0.11 0.00 -1.03 0.00 0.00 41.12 38.80 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 3.63 0.40 0.45 0.11 2.56 -1.26 -5.07 118.70 119.52 1vdy s GLU 23 Ca 0.50 0.30 0.25 0.00 0.00 0.00 0.00 54.97 56.02 1vdy s GLU 23 Cb 0.11 0.19 0.68 0.00 2.00 0.00 0.00 34.13 37.11 1vdy s GLU 23 CO -0.03 -0.06 1.73 0.22 -0.56 0.00 0.00 175.26 176.56 1vdy h ASP 24 N 5.36 0.00 -2.59 -1.70 3.58 -2.00 -3.45 116.42 115.62 1vdy h ASP 24 Ca -0.27 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.65 1vdy h ASP 24 Cb 1.19 0.00 0.06 0.00 1.72 0.00 0.00 39.33 42.29 1vdy h ASP 24 CO 0.33 0.09 1.01 1.17 -2.88 0.00 0.00 179.24 178.96 1vdy n LYS 25 N -3.15 2.72 -1.72 0.28 4.81 -1.26 -4.90 118.16 114.94 1vdy n LYS 25 Ca 0.02 0.98 -0.43 0.00 -0.87 0.00 0.00 58.31 58.02 1vdy n LYS 25 Cb 0.48 -2.83 -0.02 0.00 0.02 0.00 0.00 35.03 32.67 1vdy n LYS 25 CO 0.00 0.00 0.00 1.55 1.17 0.00 0.00 177.40 180.12 1vdy n VAL 26 N 4.02 0.64 -1.68 3.15 3.14 -1.26 -4.90 118.33 121.44 1vdy n VAL 26 Ca 0.16 -0.16 -0.44 0.00 -2.96 0.00 0.00 64.34 60.95 1vdy n VAL 26 Cb 0.35 -1.88 -0.02 0.00 -1.06 0.00 0.00 33.84 31.23 1vdy n VAL 26 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1vdy n ALA 27 N 2.74 1.29 -1.79 1.55 0.00 -1.26 -4.93 120.51 118.12 1vdy n ALA 27 Ca 0.12 0.40 -0.41 0.00 0.00 0.00 0.00 53.44 53.55 1vdy n ALA 27 Cb 0.35 -2.29 -0.03 0.00 0.00 0.00 0.00 19.45 17.48 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 -0.74 4.44 0.22 0.00 0.04 -1.26 -4.95 135.00 132.75 1vdy s PRO 28 Ca 0.65 2.08 -0.07 0.00 0.04 0.00 0.00 61.00 63.69 1vdy s PRO 28 Cb -0.62 -3.12 0.34 0.00 0.04 0.00 0.00 34.50 31.15 1vdy s PRO 28 CO 0.52 -0.08 1.75 0.28 0.04 0.00 0.00 177.00 179.51 1vdy h VAL 29 N 3.12 0.75 -0.98 -0.36 2.07 -2.01 -2.17 116.25 116.68 1vdy h VAL 29 Ca -0.48 -0.16 0.19 0.00 0.82 0.00 0.00 66.70 67.08 1vdy h VAL 29 Cb 1.22 0.25 -0.09 0.00 -1.52 0.00 0.00 31.29 31.15 1vdy h VAL 29 CO 0.67 0.08 0.61 0.10 0.02 0.00 0.00 177.57 179.06 1vdy h TYR 30 N 0.46 0.90 -0.09 1.57 -0.00 -2.00 0.33 116.97 118.13 1vdy h TYR 30 Ca 0.35 0.03 -0.12 0.00 0.00 0.00 0.00 58.73 58.98 1vdy h TYR 30 Cb 0.45 -0.27 -0.01 0.00 0.00 0.00 0.00 36.73 36.89 1vdy h TYR 30 CO -0.16 0.22 -0.49 0.87 -0.00 0.00 0.00 178.16 178.61 1vdy h LYS 31 N 0.66 0.24 -0.41 0.10 1.57 -1.78 -3.11 116.57 113.84 1vdy h LYS 31 Ca 0.54 -0.13 -0.09 0.00 -1.87 0.00 0.00 60.65 59.10 1vdy h LYS 31 Cb 0.98 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.28 1vdy h LYS 31 CO -0.31 0.68 -0.08 -0.07 -0.57 0.00 0.00 179.45 179.11 1vdy h LEU 32 N 0.19 0.78 -0.87 2.94 3.38 -0.94 -3.19 115.31 117.61 1vdy h LEU 32 Ca 0.01 -0.35 0.08 0.00 0.09 0.00 0.00 57.88 57.71 1vdy h LEU 32 Cb 0.93 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 41.40 1vdy h LEU 32 CO 0.08 0.95 0.53 -0.33 0.09 0.00 0.00 178.44 179.76 1vdy h GLU 33 N 0.60 0.90 -0.80 1.13 4.39 -1.37 -2.12 114.58 117.31 1vdy h GLU 33 Ca 0.11 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.73 1vdy h GLU 33 Cb 0.59 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 29.00 1vdy h GLU 33 CO 0.04 0.60 0.40 0.93 -1.16 0.00 0.00 179.01 179.82 1vdy h GLU 34 N 0.93 1.14 -0.00 2.33 5.08 -1.53 -1.33 114.58 121.20 1vdy h GLU 34 Ca 0.40 -0.16 -0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1vdy h GLU 34 Cb 0.26 -0.21 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 1vdy h GLU 34 CO -0.21 0.87 0.00 0.82 -1.00 0.00 0.00 179.01 179.50 1vdy h ILE 35 N 1.13 1.14 -0.37 3.13 2.04 -1.42 -0.76 117.51 122.40 1vdy h ILE 35 Ca 0.28 -0.42 0.11 0.00 1.00 0.00 0.00 64.86 65.82 1vdy h ILE 35 Cb 0.09 1.43 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 1vdy h ILE 35 CO -0.04 0.11 0.28 0.00 0.00 0.00 0.00 178.15 178.50 1vdy h ASP 37 N 0.00 -0.02 -0.99 0.00 3.58 -0.90 -3.30 116.42 114.78 1vdy h ASP 37 Ca 0.17 -0.60 0.13 0.00 0.42 0.00 0.00 57.03 57.16 1vdy h ASP 37 Cb 0.73 0.01 -0.09 0.00 1.72 0.00 0.00 39.33 41.70 1vdy h ASP 37 CO -0.00 0.76 0.63 -0.07 -2.88 0.00 0.00 179.24 177.67 1vdy h LEU 38 N -0.98 0.88 0.33 2.28 -0.00 -0.62 0.35 115.31 117.56 1vdy h LEU 38 Ca -0.00 0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.93 1vdy h LEU 38 Cb 0.62 -0.12 -0.03 0.00 -0.00 0.00 0.00 40.66 41.13 1vdy h LEU 38 CO 0.00 0.45 -0.36 -0.07 -0.00 0.00 0.00 178.44 178.46 1vdy h LEU 39 N 0.94 -0.99 -0.83 1.67 3.38 -0.95 -0.99 115.31 117.53 1vdy h LEU 39 Ca 0.50 0.09 -0.12 0.00 0.09 0.00 0.00 57.88 58.44 1vdy h LEU 39 Cb 0.57 0.34 -0.02 0.00 0.09 0.00 0.00 40.66 41.64 1vdy h LEU 39 CO -0.27 -0.50 -0.58 0.08 0.09 0.00 0.00 178.44 177.26 1vdy h ARG 40 N -0.73 0.00 0.00 1.13 0.11 -1.52 -3.00 114.38 110.37 1vdy h ARG 40 Ca -0.02 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.06 1vdy h ARG 40 Cb 0.67 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.75 1vdy h ARG 40 CO -0.08 0.58 0.00 0.45 0.10 0.00 0.00 179.97 181.01 1vdy n SER 41 N -3.82 0.00 -4.61 0.08 2.88 0.07 -4.83 113.62 103.39 1vdy n SER 41 Ca -0.01 0.36 -0.24 0.00 -1.33 0.00 0.00 58.87 57.65 1vdy n SER 41 Cb 0.59 -0.44 -0.09 0.00 -0.75 0.00 0.00 64.21 63.52 1vdy n SER 41 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1vdy s SER 42 N -2.88 4.15 0.73 -3.46 0.01 -0.40 -5.02 113.70 106.83 1vdy s SER 42 Ca 0.13 -0.94 -0.11 0.00 1.31 0.00 0.00 55.95 56.34 1vdy s SER 42 Cb 0.14 -0.55 0.03 0.00 0.21 0.00 0.00 66.02 65.85 1vdy s SER 42 CO 0.37 -0.16 1.08 -2.28 0.41 0.00 0.00 173.24 172.66 1vdy s HIS 43 N -2.48 2.75 0.59 2.43 2.46 -1.26 -4.89 115.29 114.88 1vdy s HIS 43 Ca 0.33 1.52 0.29 0.00 0.47 0.00 0.00 55.06 57.67 1vdy s HIS 43 Cb -0.02 -3.02 1.59 0.00 -0.13 0.00 0.00 32.58 31.01 1vdy s HIS 43 CO 0.19 -1.59 2.02 -0.24 -2.47 0.00 0.00 174.74 172.64 1vdy h VAL 44 N -0.78 0.41 -0.73 0.89 3.04 -1.98 -0.84 116.25 116.27 1vdy h VAL 44 Ca -0.44 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 65.23 1vdy h VAL 44 Cb 1.23 0.75 -0.03 0.00 -2.01 0.00 0.00 31.29 31.22 1vdy h VAL 44 CO 0.53 0.00 0.38 0.77 -1.01 0.00 0.00 177.57 178.25 1vdy h SER 45 N 0.00 0.92 -0.61 3.17 4.64 -2.00 -1.73 113.55 117.94 1vdy h SER 45 Ca 0.13 -0.11 -0.07 0.00 -0.47 0.00 0.00 61.79 61.27 1vdy h SER 45 Cb 0.75 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.58 1vdy h SER 45 CO -0.00 0.77 0.11 0.40 -0.87 0.00 0.00 176.83 177.24 1vdy h ILE 46 N 1.01 1.26 -0.80 0.95 1.08 -1.51 -1.74 117.51 117.76 1vdy h ILE 46 Ca 0.25 -0.98 -0.00 0.00 -0.39 0.00 0.00 64.86 63.74 1vdy h ILE 46 Cb 0.06 0.71 -0.04 0.00 -3.07 0.00 0.00 36.82 34.48 1vdy h ILE 46 CO -0.04 0.36 0.48 0.58 -0.69 0.00 0.00 178.15 178.85 1vdy h VAL 47 N 0.92 1.22 0.03 1.67 2.07 -1.35 0.85 116.25 121.66 1vdy h VAL 47 Ca 0.19 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 1vdy h VAL 47 Cb 0.41 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 1vdy h VAL 47 CO 0.01 0.23 -0.02 0.11 0.02 0.00 0.00 177.57 177.92 1vdy h LYS 48 N 1.10 -0.04 -0.64 1.57 1.57 -0.91 -2.55 116.57 116.68 1vdy h LYS 48 Ca 0.29 0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.10 1vdy h LYS 48 Cb -0.05 0.01 -0.04 0.00 0.08 0.00 0.00 32.23 32.23 1vdy h LYS 48 CO -0.05 0.20 0.39 0.93 -0.57 0.00 0.00 179.45 180.34 1vdy h GLU 49 N -0.28 0.74 -0.39 3.15 4.39 -0.82 -2.46 114.58 118.92 1vdy h GLU 49 Ca -0.00 -0.04 0.08 0.00 0.34 0.00 0.00 59.36 59.73 1vdy h GLU 49 Cb 0.26 -0.17 -0.07 0.00 -0.10 0.00 0.00 28.75 28.67 1vdy h GLU 49 CO 0.01 0.49 -0.10 0.74 -1.16 0.00 0.00 179.01 178.99 1vdy h PHE 50 N 0.77 -0.21 -0.85 4.33 0.04 -0.77 -1.14 116.94 119.10 1vdy h PHE 50 Ca 0.26 0.04 0.12 0.00 2.80 0.00 0.00 57.97 61.19 1vdy h PHE 50 Cb 0.03 0.15 -0.08 0.00 2.20 0.00 0.00 35.95 38.25 1vdy h PHE 50 CO -0.05 -0.17 0.47 0.77 -0.60 0.00 0.00 178.31 178.73 1vdy h SER 51 N -0.00 0.63 -0.15 2.17 0.02 -1.01 -1.34 113.55 113.87 1vdy h SER 51 Ca 0.19 0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1vdy h SER 51 Cb 0.29 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1vdy h SER 51 CO -0.40 0.32 0.08 -0.33 -1.14 0.00 0.00 176.83 175.35 1vdy h GLU 52 N 0.73 0.21 -0.47 3.45 4.39 -0.92 -2.29 114.58 119.69 1vdy h GLU 52 Ca 0.44 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 60.08 1vdy h GLU 52 Cb 0.52 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.11 1vdy h GLU 52 CO -0.30 0.25 0.14 0.74 -1.16 0.00 0.00 179.01 178.68 1vdy h PHE 53 N 0.13 0.70 -0.20 4.33 0.04 -0.86 -1.69 116.94 119.39 1vdy h PHE 53 Ca 0.05 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1vdy h PHE 53 Cb 0.10 -0.21 -0.01 0.00 2.20 0.00 0.00 35.95 38.03 1vdy h PHE 53 CO -0.03 0.58 0.13 0.82 -0.60 0.00 0.00 178.31 179.20 1vdy h ILE 54 N 0.68 1.07 -0.85 -0.55 2.04 -0.97 -2.83 117.51 116.10 1vdy h ILE 54 Ca 0.16 -0.16 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 1vdy h ILE 54 Cb 0.21 0.81 -0.04 0.00 -0.74 0.00 0.00 36.82 37.06 1vdy h ILE 54 CO -0.01 0.07 0.42 -0.07 0.00 0.00 0.00 178.15 178.56 1vdy h LEU 55 N 0.26 1.10 -2.49 1.44 3.38 -1.01 -1.82 115.31 116.17 1vdy h LEU 55 Ca 0.07 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.92 1vdy h LEU 55 Cb 0.00 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.47 1vdy h LEU 55 CO -0.01 0.92 0.02 0.11 0.09 0.00 0.00 178.44 179.56 1vdy h LYS 56 N 1.21 0.00 0.00 1.13 1.79 -1.06 -1.84 116.57 117.80 1vdy h LYS 56 Ca 0.30 0.00 -0.14 0.00 -2.18 0.00 0.00 60.65 58.62 1vdy h LYS 56 Cb 0.10 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.73 1vdy h LYS 56 CO -0.04 0.00 -0.69 0.00 -1.08 0.00 0.00 179.45 177.65 1vdy h ARG 57 N 0.00 0.00 -0.03 3.15 2.47 -1.29 -3.24 114.38 115.44 1vdy h ARG 57 Ca 0.00 0.00 -0.04 0.00 -1.26 0.00 0.00 59.98 58.68 1vdy h ARG 57 Cb 0.04 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.36 1vdy h ARG 57 CO 0.00 0.69 -0.17 -0.07 0.56 0.00 0.00 179.97 180.98 1vdy h LEU 58 N 0.00 0.05 -1.10 3.04 -0.00 -1.44 -2.32 115.31 113.54 1vdy h LEU 58 Ca -0.01 -0.01 -0.05 0.00 -0.00 0.00 0.00 57.88 57.81 1vdy h LEU 58 Cb 1.50 -0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 42.14 1vdy h LEU 58 CO 0.09 0.22 -0.26 -0.78 -0.00 0.00 0.00 178.44 177.71 1vdy h ASP 59 N 0.05 0.00 -2.37 -0.43 1.82 -1.66 -3.45 116.42 110.38 1vdy h ASP 59 Ca 0.01 0.00 -0.53 0.00 -0.39 0.00 0.00 57.03 56.12 1vdy h ASP 59 Cb 0.33 0.00 0.02 0.00 0.68 0.00 0.00 39.33 40.36 1vdy h ASP 59 CO 0.02 0.26 1.21 -3.20 -1.61 0.00 0.00 179.24 175.92 1vdy n ASN 60 N -3.44 4.14 -0.10 2.28 2.85 -0.87 -4.85 115.26 115.27 1vdy n ASN 60 Ca -0.00 0.92 0.26 0.00 -0.11 0.00 0.00 54.58 55.65 1vdy n ASN 60 Cb 0.44 -1.53 0.72 0.00 1.24 0.00 0.00 39.78 40.65 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 10.21 0.00 -6.87 1.20 6.56 -1.89 -3.43 116.57 122.35 1vdy h LYS 61 Ca -0.49 0.00 -0.52 0.00 -1.06 0.00 0.00 60.65 58.57 1vdy h LYS 61 Cb 1.24 0.00 0.06 0.00 -0.57 0.00 0.00 32.23 32.96 1vdy h LYS 61 CO 0.94 0.00 0.65 0.45 -2.06 0.00 0.00 179.45 179.43 1vdy s SER 62 N -5.48 6.76 0.01 0.86 0.15 -1.26 -4.97 113.70 109.78 1vdy s SER 62 Ca -0.05 2.69 -0.25 0.00 0.70 0.00 0.00 55.95 59.04 1vdy s SER 62 Cb 0.19 -2.65 -0.19 0.00 -1.71 0.00 0.00 66.02 61.67 1vdy s SER 62 CO 0.70 -0.55 1.42 1.55 1.20 0.00 0.00 173.24 177.56 1vdy h PRO 63 N 3.49 -0.00 -0.24 5.44 0.13 -1.90 -3.28 132.00 135.63 1vdy h PRO 63 Ca -0.49 0.00 0.06 0.00 -0.87 0.00 0.00 66.00 64.70 1vdy h PRO 63 Cb 1.23 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 32.28 1vdy h PRO 63 CO 0.66 0.33 -0.37 0.82 -0.23 0.00 0.00 178.00 179.21 1vdy h ILE 64 N -0.33 0.20 -0.88 -3.56 2.04 -1.94 -1.70 117.51 111.34 1vdy h ILE 64 Ca -0.00 0.00 0.22 0.00 1.00 0.00 0.00 64.86 66.08 1vdy h ILE 64 Cb 0.33 0.20 -0.12 0.00 -0.74 0.00 0.00 36.82 36.49 1vdy h ILE 64 CO 0.00 0.00 0.37 0.58 0.00 0.00 0.00 178.15 179.10 1vdy h VAL 65 N -0.38 0.47 0.77 1.67 2.07 -1.86 -0.25 116.25 118.74 1vdy h VAL 65 Ca 0.11 -0.13 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 1vdy h VAL 65 Cb 0.57 0.05 0.01 0.00 -1.52 0.00 0.00 31.29 30.41 1vdy h VAL 65 CO -0.44 0.07 -0.37 0.11 0.02 0.00 0.00 177.57 176.96 1vdy h LYS 66 N 0.39 -0.99 -0.84 1.57 1.57 -1.38 -2.79 116.57 114.09 1vdy h LYS 66 Ca 0.55 0.07 0.17 0.00 -1.87 0.00 0.00 60.65 59.56 1vdy h LYS 66 Cb 1.03 0.23 -0.10 0.00 0.08 0.00 0.00 32.23 33.47 1vdy h LYS 66 CO -0.53 -0.66 0.39 0.37 -0.57 0.00 0.00 179.45 178.45 1vdy h GLN 67 N -1.04 0.51 -0.68 3.15 -0.00 -0.88 -0.09 115.11 116.08 1vdy h GLN 67 Ca -0.11 -0.03 0.08 0.00 -0.00 0.00 0.00 58.65 58.60 1vdy h GLN 67 Cb 0.79 -0.11 -0.07 0.00 0.00 0.00 0.00 27.48 28.09 1vdy h GLN 67 CO 0.17 0.33 0.34 0.87 0.00 0.00 0.00 178.83 180.54 1vdy h LYS 68 N 0.52 0.57 -0.09 1.69 1.57 -1.11 -0.95 116.57 118.77 1vdy h LYS 68 Ca 0.48 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.21 1vdy h LYS 68 Cb 0.76 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.94 1vdy h LYS 68 CO -0.42 0.38 0.01 0.00 -0.57 0.00 0.00 179.45 178.85 1vdy h ALA 69 N 1.41 0.12 -0.52 3.86 0.00 -0.81 -2.67 119.26 120.65 1vdy h ALA 69 Ca 0.33 -0.15 0.11 0.00 0.00 0.00 0.00 54.91 55.19 1vdy h ALA 69 Cb 0.33 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 17.98 1vdy h ALA 69 CO -0.25 -0.23 -0.14 -0.07 0.00 0.00 0.00 179.25 178.56 1vdy h LEU 70 N -0.08 -0.52 -0.55 0.00 -0.00 0.09 0.15 115.31 114.40 1vdy h LEU 70 Ca 0.03 0.16 -0.10 0.00 -0.00 0.00 0.00 57.88 57.97 1vdy h LEU 70 Cb 0.29 0.34 -0.02 0.00 -0.00 0.00 0.00 40.66 41.26 1vdy h LEU 70 CO 0.00 -0.18 -0.04 -0.09 -0.00 0.00 0.00 178.44 178.13 1vdy h ARG 71 N -0.01 0.99 -0.33 1.13 1.12 -1.30 -2.85 114.38 113.13 1vdy h ARG 71 Ca 0.25 -0.34 -0.00 0.00 -1.11 0.00 0.00 59.98 58.78 1vdy h ARG 71 Cb 0.40 -0.08 -0.02 0.00 -0.01 0.00 0.00 29.97 30.26 1vdy h ARG 71 CO -0.55 1.01 0.20 1.25 -3.11 0.00 0.00 179.97 178.78 1vdy h LEU 72 N 0.87 0.39 -0.52 3.80 5.85 -0.84 0.14 115.31 125.00 1vdy h LEU 72 Ca 0.15 -0.04 0.10 0.00 0.84 0.00 0.00 57.88 58.93 1vdy h LEU 72 Cb 0.59 -0.10 -0.10 0.00 0.37 0.00 0.00 40.66 41.42 1vdy h LEU 72 CO 0.04 0.32 -0.17 0.40 -0.34 0.00 0.00 178.44 178.69 1vdy h ILE 73 N 0.43 0.42 0.00 4.05 2.04 -0.67 0.27 117.51 124.04 1vdy h ILE 73 Ca 0.12 0.00 -0.18 0.00 1.00 0.00 0.00 64.86 65.80 1vdy h ILE 73 Cb -0.00 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 1vdy h ILE 73 CO -0.02 0.00 -0.85 0.07 0.00 0.00 0.00 178.15 177.35 1vdy h LYS 74 N -0.04 0.00 -0.26 2.37 2.10 -1.25 -2.27 116.57 117.21 1vdy h LYS 74 Ca 0.25 0.00 -0.13 0.00 -2.00 0.00 0.00 60.65 58.77 1vdy h LYS 74 Cb 0.42 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.75 1vdy h LYS 74 CO -0.55 0.85 -0.33 -0.92 -2.00 0.00 0.00 179.45 176.49 1vdy h TYR 75 N 0.00 0.84 0.02 0.07 5.03 0.30 -3.32 116.97 119.92 1vdy h TYR 75 Ca -0.01 -0.27 -0.00 0.00 2.58 0.00 0.00 58.73 61.03 1vdy h TYR 75 Cb 1.56 -0.17 0.00 0.00 1.55 0.00 0.00 36.73 39.67 1vdy h TYR 75 CO 0.00 1.02 -0.01 0.00 -1.32 0.00 0.00 178.16 177.85 1vdy h ALA 76 N 0.68 -0.03 -2.59 1.82 0.00 -0.58 -3.43 119.26 115.11 1vdy h ALA 76 Ca 0.03 -0.21 -0.52 0.00 0.00 0.00 0.00 54.91 54.21 1vdy h ALA 76 Cb 0.91 0.01 0.13 0.00 0.00 0.00 0.00 17.79 18.84 1vdy h ALA 76 CO 0.08 -0.31 0.39 0.54 0.00 0.00 0.00 179.25 179.95 1vdy s VAL 77 N -4.51 2.74 0.00 0.00 0.11 -0.85 -1.56 120.40 116.32 1vdy s VAL 77 Ca -0.15 0.36 0.00 0.00 -2.93 0.00 0.00 61.98 59.26 1vdy s VAL 77 Cb 0.02 -2.92 0.00 0.00 -1.53 0.00 0.00 36.38 31.96 1vdy s VAL 77 CO 0.66 -0.19 0.00 0.61 -3.33 0.00 0.00 175.10 172.85 1vdy n GLY 78 N 0.02 0.82 0.63 6.54 0.00 -1.26 -4.71 105.19 107.22 1vdy n GLY 78 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.21 0.00 0.30 1.61 2.85 -1.18 -4.95 118.16 114.59 1vdy n LYS 79 Ca 0.00 0.00 0.17 0.00 -1.05 0.00 0.00 58.31 57.43 1vdy n LYS 79 Cb 0.00 -0.12 0.97 0.00 -0.65 0.00 0.00 35.03 35.23 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 -4.20 -5.58 0.02 -1.55 -3.48 113.55 98.76 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 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1vdy h SER 80 CO 0.00 0.01 0.00 0.61 -1.14 0.00 0.00 176.83 176.31 1vdy n GLY 81 N -1.19 3.50 0.19 -3.77 0.00 -1.26 -3.76 105.19 98.89 1vdy n GLY 81 Ca -0.03 -1.73 0.07 0.00 0.00 0.00 0.00 46.02 44.33 1vdy n GLY 81 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1vdy h SER 82 N 0.00 0.00 0.13 1.61 0.02 -1.99 -3.30 113.55 110.02 1vdy h SER 82 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 1vdy h SER 82 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1vdy h SER 82 CO 0.00 0.29 -0.06 -0.33 -1.14 0.00 0.00 176.83 175.58 1vdy h GLU 83 N 0.00 -0.17 -0.38 3.45 3.07 -2.01 -1.87 114.58 116.67 1vdy h GLU 83 Ca -0.00 0.01 0.05 0.00 -0.50 0.00 0.00 59.36 58.92 1vdy h GLU 83 Cb 1.06 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.99 1vdy h GLU 83 CO 0.04 -0.09 0.26 0.35 -1.40 0.00 0.00 179.01 178.17 1vdy h PHE 84 N -0.21 0.31 0.80 4.33 3.57 -1.92 -2.04 116.94 121.78 1vdy h PHE 84 Ca -0.02 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 1vdy h PHE 84 Cb 0.16 -0.10 0.01 0.00 2.79 0.00 0.00 35.95 38.81 1vdy h PHE 84 CO -0.06 0.18 -0.38 -0.09 -2.23 0.00 0.00 178.31 175.72 1vdy h ARG 85 N 0.32 -1.03 -0.42 1.11 2.43 -1.43 -1.00 114.38 114.35 1vdy h ARG 85 Ca 0.16 0.07 0.07 0.00 -0.81 0.00 0.00 59.98 59.48 1vdy h ARG 85 Cb 0.25 0.23 -0.06 0.00 -0.42 0.00 0.00 29.97 29.97 1vdy h ARG 85 CO -0.04 -0.69 0.04 0.07 -1.51 0.00 0.00 179.97 177.84 1vdy h ARG 86 N -1.21 0.15 -0.74 0.20 -0.00 -1.04 -1.58 114.38 110.16 1vdy h ARG 86 Ca -0.11 -0.01 -0.04 0.00 -0.00 0.00 0.00 59.98 59.82 1vdy h ARG 86 Cb 0.82 -0.03 -0.03 0.00 -0.00 0.00 0.00 29.97 30.72 1vdy h ARG 86 CO 0.18 0.10 0.31 0.93 -0.00 0.00 0.00 179.97 181.49 1vdy h GLU 87 N 0.15 1.08 -0.64 0.08 4.39 -1.42 -2.61 114.58 115.61 1vdy h GLU 87 Ca 0.21 -0.18 -0.07 0.00 0.34 0.00 0.00 59.36 59.66 1vdy h GLU 87 Cb 0.28 -0.18 -0.03 0.00 -0.10 0.00 0.00 28.75 28.72 1vdy h GLU 87 CO -0.31 0.87 0.13 1.98 -1.16 0.00 0.00 179.01 180.52 1vdy h MET 88 N 1.06 1.03 -0.81 2.33 4.05 -0.33 -2.58 114.93 119.69 1vdy h MET 88 Ca 0.25 -0.25 0.05 0.00 -0.28 0.00 0.00 59.70 59.47 1vdy h MET 88 Cb 0.18 -0.14 -0.05 0.00 -0.80 0.00 0.00 31.60 30.79 1vdy h MET 88 CO -0.02 0.93 0.50 1.96 0.23 0.00 0.00 176.91 180.51 1vdy h GLN 89 N 0.98 0.93 -0.29 0.39 4.20 -0.94 -1.86 115.11 118.51 1vdy h GLN 89 Ca 0.20 -0.06 0.08 0.00 0.06 0.00 0.00 58.65 58.94 1vdy h GLN 89 Cb 0.38 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 1vdy h GLN 89 CO 0.01 0.61 0.22 0.00 -0.67 0.00 0.00 178.83 179.00 1vdy h ARG 90 N 0.95 0.00 -0.09 1.46 3.08 -1.24 -2.12 114.38 116.43 1vdy h ARG 90 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.39 1vdy h ARG 90 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1vdy h ARG 90 CO -0.14 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 178.85 1vdy n ASN 91 N -4.28 2.77 0.00 7.04 3.02 -0.88 -4.76 115.26 118.16 1vdy n ASN 91 Ca 0.04 -2.92 0.06 0.00 -0.03 0.00 0.00 54.58 51.73 1vdy n ASN 91 Cb 0.38 -0.41 0.29 0.00 -0.61 0.00 0.00 39.78 39.43 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 -1.01 0.00 -0.32 6.41 3.41 -0.75 -3.39 113.62 117.96 1vdy n SER 92 Ca 0.16 0.28 0.09 0.00 -0.26 0.00 0.00 58.87 59.13 1vdy n SER 92 Cb 0.66 -0.38 0.29 0.00 -0.26 0.00 0.00 64.21 64.53 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 0.89 -0.86 -3.33 3.04 -1.86 -1.85 116.25 112.28 1vdy h VAL 93 Ca 0.00 -0.30 0.09 0.00 -1.01 0.00 0.00 66.70 65.47 1vdy h VAL 93 Cb 0.16 -0.07 -0.07 0.00 -2.01 0.00 0.00 31.29 29.30 1vdy h VAL 93 CO 0.00 0.16 0.51 0.00 -1.01 0.00 0.00 177.57 177.23 1vdy h ALA 94 N 1.57 1.22 -0.09 3.17 0.00 -1.98 0.11 119.26 123.25 1vdy h ALA 94 Ca 0.48 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.35 1vdy h ALA 94 Cb 0.58 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 1vdy h ALA 94 CO -0.24 0.18 -0.14 0.28 0.00 0.00 0.00 179.25 179.32 1vdy h VAL 95 N 0.88 1.39 -0.39 0.00 2.07 -1.60 -3.25 116.25 115.35 1vdy h VAL 95 Ca 0.40 -1.39 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 1vdy h VAL 95 Cb 0.31 2.09 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 1vdy h VAL 95 CO -0.22 0.39 0.20 0.03 0.02 0.00 0.00 177.57 177.99 1vdy h ARG 96 N -0.19 0.54 0.00 1.57 3.08 -1.16 -1.78 114.38 116.43 1vdy h ARG 96 Ca 0.01 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1vdy h ARG 96 Cb 0.70 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.64 1vdy h ARG 96 CO 0.03 0.41 0.00 0.09 -1.07 0.00 0.00 179.97 179.43 1vdy n ASN 97 N -4.42 0.14 -0.31 7.04 3.02 -0.04 -1.93 115.26 118.75 1vdy n ASN 97 Ca 0.03 0.55 0.10 0.00 -0.03 0.00 0.00 54.58 55.23 1vdy n ASN 97 Cb 0.11 -0.57 -0.04 0.00 -0.61 0.00 0.00 39.78 38.66 1vdy n ASN 97 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 1vdy n LEU 98 N -1.67 1.63 0.11 3.41 4.77 -0.67 -4.38 117.00 120.19 1vdy n LEU 98 Ca 0.01 -0.67 0.18 0.00 -0.03 0.00 0.00 56.01 55.50 1vdy n LEU 98 Cb 0.07 0.00 0.74 0.00 -2.33 0.00 0.00 43.42 41.90 1vdy n LEU 98 CO 0.06 0.33 1.16 -0.26 -1.33 0.00 0.00 177.39 177.35 1vdy h PHE 99 N 1.54 0.00 -0.08 -1.77 0.04 -1.50 -0.65 116.94 114.52 1vdy h PHE 99 Ca 0.00 0.00 -0.02 0.00 2.80 0.00 0.00 57.97 60.75 1vdy h PHE 99 Cb 0.65 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.79 1vdy h PHE 99 CO 0.00 0.00 -0.10 -2.39 -0.60 0.00 0.00 178.31 175.22 1vdy n HIS 100 N -4.08 0.27 -2.16 -0.55 1.44 -1.26 -4.98 115.22 103.90 1vdy n HIS 100 Ca 0.06 -1.13 -0.30 0.00 -2.01 0.00 0.00 57.72 54.34 1vdy n HIS 100 Cb 0.47 -0.23 -0.05 0.00 0.12 0.00 0.00 29.99 30.31 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 -2.97 1.96 -0.27 -1.40 5.04 -0.25 -4.76 117.35 114.70 1vdy s TYR 101 Ca 0.36 0.31 0.20 0.00 -2.44 0.00 0.00 57.07 55.50 1vdy s TYR 101 Cb 0.32 -4.19 0.12 0.00 0.35 0.00 0.00 41.96 38.56 1vdy s TYR 101 CO 0.02 -1.80 1.32 1.57 -1.34 0.00 0.00 175.55 175.32 1vdy h LYS 102 N 11.02 0.00 0.00 4.97 2.10 -1.90 -3.44 116.57 129.32 1vdy h LYS 102 Ca 0.11 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.76 1vdy h LYS 102 Cb 1.01 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.34 1vdy h LYS 102 CO 1.26 0.18 0.00 0.41 -2.00 0.00 0.00 179.45 179.30 1vdy n GLY 103 N 1.20 3.67 2.99 0.07 0.00 -1.26 -4.61 105.19 107.24 1vdy n GLY 103 Ca 0.01 0.06 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 1vdy n GLY 103 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1vdy s HIS 104 N 0.00 0.37 -0.50 1.61 2.46 -1.26 -5.10 115.29 112.87 1vdy s HIS 104 Ca 0.00 -0.42 -0.27 0.00 0.47 0.00 0.00 55.06 54.84 1vdy s HIS 104 Cb 0.00 -0.24 -0.02 0.00 -0.13 0.00 0.00 32.58 32.19 1vdy s HIS 104 CO 0.00 -0.12 1.79 -1.25 -2.47 0.00 0.00 174.74 172.69 1vdy s PRO 105 N -1.21 2.95 0.13 2.88 0.04 -1.26 -4.69 135.00 133.84 1vdy s PRO 105 Ca -0.11 0.90 -0.32 0.00 0.04 0.00 0.00 61.00 61.52 1vdy s PRO 105 Cb -0.08 -4.29 -0.11 0.00 0.04 0.00 0.00 34.50 30.06 1vdy s PRO 105 CO -0.00 -2.33 1.81 -0.25 0.04 0.00 0.00 177.00 176.26 1vdy n ASP 106 N 11.56 3.95 0.09 6.66 9.92 -1.26 -4.64 116.55 142.83 1vdy n ASP 106 Ca 0.21 1.00 0.11 0.00 -0.53 0.00 0.00 54.79 55.58 1vdy n ASP 106 Cb 0.50 -1.53 0.59 0.00 -0.64 0.00 0.00 41.12 40.04 1vdy n ASP 106 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 1vdy h PRO 107 N 8.17 0.16 0.00 -0.24 0.13 -1.99 0.68 132.00 138.92 1vdy h PRO 107 Ca -0.46 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1vdy h PRO 107 Cb 1.22 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1vdy h PRO 107 CO 0.95 0.11 0.00 1.47 -0.23 0.00 0.00 178.00 180.29 1vdy n LEU 108 N -4.48 1.64 0.27 1.56 -0.00 -1.26 -4.39 117.00 110.33 1vdy n LEU 108 Ca 0.03 0.24 0.15 0.00 -0.00 0.00 0.00 56.01 56.44 1vdy n LEU 108 Cb 0.26 -0.03 0.68 0.00 -0.00 0.00 0.00 43.42 44.33 1vdy n LEU 108 CO 0.35 -0.03 0.96 0.11 -0.00 0.00 0.00 177.39 178.78 1vdy h LYS 109 N 0.00 0.00 -3.42 1.47 1.57 -1.97 -3.48 116.57 110.74 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 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1vdy h LYS 109 CO 0.00 0.07 -0.06 0.41 -0.57 0.00 0.00 179.45 179.30 1vdy n GLY 110 N -0.12 -0.68 3.09 3.86 0.00 0.23 -4.31 105.19 107.27 1vdy n GLY 110 Ca -0.00 0.06 -0.14 0.00 0.00 0.00 0.00 46.02 45.93 1vdy n GLY 110 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1vdy n ASP 111 N -0.72 -1.78 -0.10 1.61 5.68 -1.24 -4.82 116.55 115.18 1vdy n ASP 111 Ca 0.01 -0.05 -0.17 0.00 -0.50 0.00 0.00 54.79 54.08 1vdy n ASP 111 Cb 0.24 -1.60 -0.07 0.00 -1.14 0.00 0.00 41.12 38.55 1vdy n ASP 111 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1vdy n ALA 112 N -2.98 0.79 -0.31 2.12 0.00 -1.26 -4.13 120.51 114.74 1vdy n ALA 112 Ca 0.01 -0.64 0.18 0.00 0.00 0.00 0.00 53.44 52.99 1vdy n ALA 112 Cb 0.50 -0.17 0.44 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 0.56 -0.76 0.00 3.38 -1.89 0.88 115.31 116.48 1vdy h LEU 113 Ca -0.27 0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.68 1vdy h LEU 113 Cb 1.10 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1vdy h LEU 113 CO -0.17 0.17 -0.44 -0.55 0.09 0.00 0.00 178.44 177.55 1vdy h ASN 114 N 0.53 0.00 0.76 -0.43 7.08 -1.91 -3.29 115.58 118.32 1vdy h ASN 114 Ca 0.56 0.00 -0.03 0.00 -3.08 0.00 0.00 56.30 53.75 1vdy h ASN 114 Cb 1.21 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.45 1vdy h ASN 114 CO -0.30 0.44 -0.43 0.50 -2.08 0.00 0.00 177.43 175.56 1vdy h LYS 115 N 0.00 -1.06 -0.92 4.14 1.63 -0.97 -3.07 116.57 116.31 1vdy h LYS 115 Ca -0.00 0.07 0.27 0.00 -0.85 0.00 0.00 60.65 60.14 1vdy h LYS 115 Cb 1.02 0.24 -0.17 0.00 -0.60 0.00 0.00 32.23 32.72 1vdy h LYS 115 CO 0.06 -0.71 0.07 0.00 -3.45 0.00 0.00 179.45 175.42 1vdy n ALA 116 N -2.64 0.52 0.22 5.00 0.00 -1.21 -0.35 120.51 122.04 1vdy n ALA 116 Ca -0.14 0.99 -0.15 0.00 0.00 0.00 0.00 53.44 54.13 1vdy n ALA 116 Cb 0.46 -0.74 -0.08 0.00 0.00 0.00 0.00 19.45 19.08 1vdy n ALA 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1vdy h VAL 117 N 0.00 0.65 -0.31 0.00 2.07 -1.66 -1.76 116.25 115.24 1vdy h VAL 117 Ca 0.58 -0.00 -0.01 0.00 0.82 0.00 0.00 66.70 68.09 1vdy h VAL 117 Cb 1.25 0.65 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1vdy h VAL 117 CO -0.85 0.00 0.14 -0.09 0.02 0.00 0.00 177.57 176.78 1vdy h ARG 118 N -0.49 0.45 0.62 1.57 1.12 -0.67 -1.92 114.38 115.05 1vdy h ARG 118 Ca -0.05 -0.07 -0.02 0.00 -1.11 0.00 0.00 59.98 58.73 1vdy h ARG 118 Cb 0.37 -0.08 -0.02 0.00 -0.01 0.00 0.00 29.97 30.24 1vdy h ARG 118 CO 0.08 0.44 -0.51 0.93 -3.11 0.00 0.00 179.97 177.80 1vdy h GLU 119 N 0.36 -1.05 -0.80 0.20 5.08 -0.72 -2.66 114.58 114.98 1vdy h GLU 119 Ca 0.10 0.07 0.07 0.00 -1.00 0.00 0.00 59.36 58.60 1vdy h GLU 119 Cb 0.15 0.24 -0.05 0.00 0.50 0.00 0.00 28.75 29.58 1vdy h GLU 119 CO -0.01 -0.70 0.53 1.15 -1.00 0.00 0.00 179.01 178.97 1vdy h THR 120 N -1.09 1.03 -0.97 1.13 2.02 -1.34 -2.49 112.91 111.20 1vdy h THR 120 Ca -0.08 -0.29 0.17 0.00 0.77 0.00 0.00 66.41 66.98 1vdy h THR 120 Cb 0.92 0.10 -0.09 0.00 -1.74 0.00 0.00 68.15 67.33 1vdy h THR 120 CO -0.00 0.16 0.61 0.00 0.37 0.00 0.00 175.52 176.65 1vdy h ALA 121 N 1.57 1.78 -0.15 6.16 0.00 -0.98 0.14 119.26 127.78 1vdy h ALA 121 Ca 0.35 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 1vdy h ALA 121 Cb 0.26 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1vdy h ALA 121 CO -0.13 -0.10 0.04 0.45 0.00 0.00 0.00 179.25 179.52 1vdy h HIS 122 N 0.72 0.25 -0.70 0.00 3.86 -1.45 -1.68 115.15 116.16 1vdy h HIS 122 Ca 0.53 -0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.67 1vdy h HIS 122 Cb 0.86 -0.07 -0.03 0.00 1.06 0.00 0.00 27.41 29.23 1vdy h HIS 122 CO -0.00 0.37 0.28 0.93 0.86 0.00 0.00 177.93 180.37 1vdy h GLU 123 N 0.06 1.03 -0.29 2.45 5.08 -1.34 -2.69 114.58 118.88 1vdy h GLU 123 Ca 0.05 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 1vdy h GLU 123 Cb 0.24 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1vdy h GLU 123 CO -0.00 0.83 0.07 1.15 -1.00 0.00 0.00 179.01 180.06 1vdy h THR 124 N 1.01 1.22 -0.77 1.13 2.02 -0.60 -2.49 112.91 114.42 1vdy h THR 124 Ca 0.23 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 1vdy h THR 124 Cb 0.19 1.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.70 1vdy h THR 124 CO -0.02 0.24 0.45 0.40 0.37 0.00 0.00 175.52 176.96 1vdy h ILE 125 N 0.31 1.22 -0.00 3.11 1.08 -1.10 -0.79 117.51 121.34 1vdy h ILE 125 Ca 0.09 -0.51 0.00 0.00 -0.39 0.00 0.00 64.86 64.05 1vdy h ILE 125 Cb 0.29 0.17 -0.00 0.00 -3.07 0.00 0.00 36.82 34.22 1vdy h ILE 125 CO 0.00 0.24 0.01 -1.28 -0.69 0.00 0.00 178.15 176.42 1vdy h SER 126 N 1.05 0.00 0.13 1.72 0.87 -1.22 -0.29 113.55 115.81 1vdy h SER 126 Ca 0.27 0.00 -0.36 0.00 -1.23 0.00 0.00 61.79 60.48 1vdy h SER 126 Cb -0.01 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 61.94 1vdy h SER 126 CO -0.05 0.00 -1.92 0.00 -0.53 0.00 0.00 176.83 174.33 1vdy h ALA 127 N 1.99 0.38 -0.20 6.23 0.00 -0.76 -3.00 119.26 123.90 1vdy h ALA 127 Ca 0.00 -1.34 -0.02 0.00 0.00 0.00 0.00 54.91 53.55 1vdy h ALA 127 Cb 0.01 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 1vdy h ALA 127 CO -0.00 1.24 0.06 0.82 0.00 0.00 0.00 179.25 181.37 1vdy h ILE 128 N 0.03 1.19 -1.56 0.00 2.04 -0.67 -2.98 117.51 115.56 1vdy h ILE 128 Ca -0.41 -0.59 -0.72 0.00 1.00 0.00 0.00 64.86 64.14 1vdy h ILE 128 Cb 2.02 1.20 -0.29 0.00 -0.74 0.00 0.00 36.82 39.01 1vdy h ILE 128 CO 0.09 0.19 0.85 0.49 0.00 0.00 0.00 178.15 179.77 1vdy n PHE 129 N -4.80 3.09 -1.18 1.37 3.72 -0.17 -4.81 117.46 114.68 1vdy n PHE 129 Ca -0.04 -2.62 -0.31 0.00 -0.05 0.00 0.00 57.45 54.43 1vdy n PHE 129 Cb 0.15 -1.21 -0.06 0.00 -0.94 0.00 0.00 39.48 37.42 1vdy n PHE 129 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1vdy n SER 130 N -0.68 7.59 -3.94 4.37 2.88 -1.13 -4.78 113.62 117.93 1vdy n SER 130 Ca 0.56 -2.52 -0.27 0.00 -1.33 0.00 0.00 58.87 55.31 1vdy n SER 130 Cb 0.43 -1.47 -0.17 0.00 -0.75 0.00 0.00 64.21 62.25 1vdy n SER 130 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1vdy s GLU 131 N 2.01 1.69 0.14 -1.46 2.02 -1.26 -5.03 118.70 116.81 1vdy s GLU 131 Ca 0.66 -0.33 -0.12 0.00 0.02 0.00 0.00 54.97 55.21 1vdy s GLU 131 Cb 0.20 -1.66 -0.03 0.00 0.10 0.00 0.00 34.13 32.75 1vdy s GLU 131 CO -0.04 -0.23 1.51 1.49 0.02 0.00 0.00 175.26 178.01 1vdy h GLU 132 N 8.02 0.90 -4.53 1.61 4.81 -2.01 -3.46 114.58 119.92 1vdy h GLU 132 Ca -0.31 -0.41 -0.22 0.00 -0.13 0.00 0.00 59.36 58.28 1vdy h GLU 132 Cb 1.14 -0.02 -0.15 0.00 0.63 0.00 0.00 28.75 30.35 1vdy h GLU 132 CO 0.44 1.06 -0.64 0.54 -0.73 0.00 0.00 179.01 179.68 1vdy s ASN 133 N -6.66 0.37 0.00 1.04 4.22 -1.26 -5.19 114.94 107.46 1vdy s ASN 133 Ca -0.12 -1.28 0.00 0.00 -2.14 0.00 0.00 52.86 49.33 1vdy s ASN 133 Cb 0.11 0.30 0.00 0.00 1.28 0.00 0.00 41.25 42.95 1vdy s ASN 133 CO 0.86 -0.76 0.00 0.61 -2.04 0.00 0.00 177.10 175.77 1vdy n GLY 134 N -0.18 2.19 3.45 0.45 0.00 -1.26 -5.15 105.19 104.69 1vdy n GLY 134 Ca -0.03 -0.87 -0.14 0.00 0.00 0.00 0.00 46.02 44.99 1vdy n GLY 134 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vdy s SER 135 N 0.37 0.67 -0.09 1.61 1.04 -1.26 -5.20 113.70 110.84 1vdy s SER 135 Ca 0.00 -1.38 -0.32 0.00 0.48 0.00 0.00 55.95 54.73 1vdy s SER 135 Cb 0.00 0.60 0.12 0.00 0.10 0.00 0.00 66.02 66.84 1vdy s SER 135 CO 0.00 -1.18 1.05 -0.83 0.98 0.00 0.00 173.24 173.25 1vdy s GLY 136 N -3.19 -0.38 0.83 7.32 0.00 -1.26 -5.17 107.32 105.46 1vdy s GLY 136 Ca 0.31 1.28 -0.10 0.00 0.00 0.00 0.00 44.72 46.21 1vdy s GLY 136 CO 0.17 0.43 1.11 2.56 0.00 0.00 0.00 173.10 177.37 1vdy s PRO 137 N -2.78 1.76 0.39 2.90 0.04 -1.26 -4.98 135.00 131.06 1vdy s PRO 137 Ca 0.07 1.29 -0.26 0.00 0.04 0.00 0.00 61.00 62.14 1vdy s PRO 137 Cb -0.01 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 32.61 1vdy s PRO 137 CO -0.07 -2.03 1.26 -1.54 0.04 0.00 0.00 177.00 174.66 1vdy s SER 138 N -3.13 6.48 0.09 6.66 1.04 -1.26 -4.93 113.70 118.64 1vdy s SER 138 Ca 0.63 2.56 0.18 0.00 0.48 0.00 0.00 55.95 59.80 1vdy s SER 138 Cb -0.19 -2.63 0.76 0.00 0.10 0.00 0.00 66.02 64.05 1vdy s SER 138 CO 0.57 -0.73 1.56 -1.54 0.98 0.00 0.00 173.24 174.08 1vdy n SER 139 N 0.26 0.24 0.00 7.02 3.41 -1.26 -5.37 113.62 117.93 1vdy n SER 139 Ca 0.03 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.20 1vdy n SER 139 Cb 0.44 -0.61 0.00 0.00 -0.26 0.00 0.00 64.21 63.78 1vdy n SER 139 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49