#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s56 h LEU 3 N 0.00 -1.62 -0.70 0.99 6.46 -2.02 0.28 115.31 118.70 1s56 h LEU 3 Ca 0.00 0.18 0.07 0.00 -0.12 0.00 0.00 57.88 58.01 1s56 h LEU 3 Cb 0.00 0.62 -0.06 0.00 -0.73 0.00 0.00 40.66 40.49 1s56 h LEU 3 CO 0.00 -0.52 0.39 -0.07 -0.62 0.00 0.00 178.44 177.62 1s56 h LEU 4 N -0.67 0.57 -0.78 2.25 4.07 -2.03 -0.53 115.31 118.19 1s56 h LEU 4 Ca 0.02 0.03 -0.09 0.00 0.08 0.00 0.00 57.88 57.92 1s56 h LEU 4 Cb 0.72 -0.08 -0.02 0.00 1.08 0.00 0.00 40.66 42.36 1s56 h LEU 4 CO -0.36 0.36 -0.08 -1.28 -1.08 0.00 0.00 178.44 176.00 1s56 h SER 5 N 0.70 0.82 -0.80 -0.43 0.87 -1.91 -1.18 113.55 111.62 1s56 h SER 5 Ca 0.32 -0.24 -0.02 0.00 -1.23 0.00 0.00 61.79 60.61 1s56 h SER 5 Cb 0.22 -0.22 -0.04 0.00 -0.44 0.00 0.00 62.40 61.92 1s56 h SER 5 CO -0.20 0.94 0.42 0.03 -0.53 0.00 0.00 176.83 177.49 1s56 h ARG 6 N 0.76 1.13 0.00 2.24 3.08 0.77 -2.28 114.38 120.09 1s56 h ARG 6 Ca 0.13 -0.15 -0.09 0.00 0.07 0.00 0.00 59.98 59.95 1s56 h ARG 6 Cb 0.58 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1s56 h ARG 6 CO 0.04 0.86 -0.42 -0.07 -1.07 0.00 0.00 179.97 179.31 1s56 h LEU 7 N 1.12 0.00 -1.63 3.04 3.38 -0.87 -1.39 115.31 118.96 1s56 h LEU 7 Ca 0.28 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.21 1s56 h LEU 7 Cb 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1s56 h LEU 7 CO -0.04 0.42 -0.20 -0.09 0.09 0.00 0.00 178.44 178.62 1s56 h ARG 8 N 0.00 0.00 -0.17 1.13 2.43 -0.73 -2.28 114.38 114.77 1s56 h ARG 8 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1s56 h ARG 8 Cb 0.94 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.49 1s56 h ARG 8 CO 0.05 0.20 0.00 1.63 -1.51 0.00 0.00 179.97 180.34 1s56 n LYS 9 N -3.76 2.23 -2.33 0.20 5.02 -0.84 -4.95 118.16 113.73 1s56 n LYS 9 Ca -0.02 -1.83 -0.13 0.00 -2.02 0.00 0.00 58.31 54.31 1s56 n LYS 9 Cb 0.30 -1.47 -0.00 0.00 -0.02 0.00 0.00 35.03 33.84 1s56 n LYS 9 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1s56 n ARG 10 N 1.13 -1.38 -3.32 1.97 1.74 -0.86 -5.01 116.66 110.92 1s56 n ARG 10 Ca 0.17 0.64 -0.35 0.00 -0.77 0.00 0.00 57.85 57.53 1s56 n ARG 10 Cb 0.54 -4.87 -0.06 0.00 -1.02 0.00 0.00 32.46 27.05 1s56 n ARG 10 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 1s56 s GLU 11 N -4.76 4.00 0.39 5.56 0.41 -0.58 -5.01 118.70 118.70 1s56 s GLU 11 Ca 0.03 0.52 -0.26 0.00 -0.41 0.00 0.00 54.97 54.85 1s56 s GLU 11 Cb -0.01 -2.88 -0.09 0.00 -1.78 0.00 0.00 34.13 29.37 1s56 s GLU 11 CO 0.04 0.44 1.24 -1.25 -0.49 0.00 0.00 175.26 175.23 1s56 s PRO 12 N -2.09 4.08 0.18 0.39 0.04 -1.26 -4.48 135.00 131.86 1s56 s PRO 12 Ca 0.40 2.02 -0.32 0.00 0.04 0.00 0.00 61.00 63.14 1s56 s PRO 12 Cb -0.15 -2.79 -0.11 0.00 0.04 0.00 0.00 34.50 31.50 1s56 s PRO 12 CO 0.19 -0.35 1.72 0.42 0.04 0.00 0.00 177.00 179.02 1s56 s ILE 13 N -1.30 2.28 0.56 0.56 1.01 -1.26 -4.98 121.20 118.07 1s56 s ILE 13 Ca 0.55 0.11 -0.15 0.00 0.00 0.00 0.00 60.65 61.17 1s56 s ILE 13 Cb -0.35 -3.07 -0.06 0.00 0.01 0.00 0.00 42.46 38.99 1s56 s ILE 13 CO 0.45 0.01 1.01 -0.94 0.00 0.00 0.00 174.94 175.46 1s56 s SER 14 N 1.57 6.42 0.19 3.58 1.04 -1.26 -4.92 113.70 120.31 1s56 s SER 14 Ca 0.75 1.55 -0.14 0.00 0.48 0.00 0.00 55.95 58.59 1s56 s SER 14 Cb -0.48 -2.50 0.18 0.00 0.10 0.00 0.00 66.02 63.32 1s56 s SER 14 CO 0.33 -0.73 1.67 0.40 0.98 0.00 0.00 173.24 175.88 1s56 h ILE 15 N 0.48 0.56 -0.84 -1.02 2.04 -1.89 -1.49 117.51 115.35 1s56 h ILE 15 Ca -0.46 -0.02 0.18 0.00 1.00 0.00 0.00 64.86 65.56 1s56 h ILE 15 Cb 1.19 0.49 -0.16 0.00 -0.74 0.00 0.00 36.82 37.60 1s56 h ILE 15 CO 0.61 0.01 -0.17 0.22 0.00 0.00 0.00 178.15 178.82 1s56 h TYR 16 N 0.07 -0.37 -0.05 1.37 3.20 -0.59 -2.20 116.97 118.39 1s56 h TYR 16 Ca 0.25 0.07 -0.02 0.00 3.14 0.00 0.00 58.73 62.17 1s56 h TYR 16 Cb 0.38 0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.94 1s56 h TYR 16 CO -0.36 -0.35 -0.04 -0.44 -1.64 0.00 0.00 178.16 175.33 1s56 h ASP 17 N 0.01 0.12 0.59 -2.11 3.32 -1.67 1.09 116.42 117.78 1s56 h ASP 17 Ca 0.42 -0.47 0.00 0.00 0.02 0.00 0.00 57.03 57.00 1s56 h ASP 17 Cb 0.67 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1s56 h ASP 17 CO -0.85 0.56 0.00 0.07 -1.72 0.00 0.00 179.24 177.31 1s56 h LYS 18 N -0.32 0.00 -0.01 3.56 2.10 -0.70 -1.34 116.57 119.87 1s56 h LYS 18 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 1s56 h LYS 18 Cb 0.53 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.86 1s56 h LYS 18 CO 0.01 0.00 -0.72 0.44 -2.00 0.00 0.00 179.45 177.19 1s56 n ILE 19 N -3.04 0.00 0.00 0.07 -5.35 -0.95 -4.97 119.36 105.12 1s56 n ILE 19 Ca -0.01 -0.14 0.00 0.00 -0.27 0.00 0.00 62.75 62.33 1s56 n ILE 19 Cb 0.21 1.12 0.00 0.00 -1.74 0.00 0.00 39.64 39.22 1s56 n ILE 19 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1s56 n GLY 20 N 1.43 1.95 7.00 3.28 0.00 -0.50 -4.70 105.19 113.64 1s56 n GLY 20 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1s56 n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s56 n GLY 21 N -0.11 1.76 0.24 -0.02 0.00 0.38 -3.12 105.19 104.32 1s56 n GLY 21 Ca 0.00 -0.47 -0.02 0.00 0.00 0.00 0.00 46.02 45.52 1s56 n GLY 21 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1s56 h HIS 22 N 0.00 0.59 0.02 1.61 2.76 -1.98 -2.79 115.15 115.36 1s56 h HIS 22 Ca 0.00 0.02 -0.22 0.00 -2.20 0.00 0.00 60.37 57.97 1s56 h HIS 22 Cb 0.00 -0.17 -0.00 0.00 1.55 0.00 0.00 27.41 28.78 1s56 h HIS 22 CO 0.00 0.27 -0.96 0.93 -1.30 0.00 0.00 177.93 176.87 1s56 h GLU 23 N 0.60 0.31 -0.67 5.26 3.07 -1.98 -2.15 114.58 119.01 1s56 h GLU 23 Ca 0.28 -0.36 0.06 0.00 -0.50 0.00 0.00 59.36 58.84 1s56 h GLU 23 Cb 0.19 0.11 -0.04 0.00 -0.84 0.00 0.00 28.75 28.17 1s56 h GLU 23 CO -0.19 1.06 0.44 0.00 -1.40 0.00 0.00 179.01 178.93 1s56 h ALA 24 N 0.81 1.74 0.07 3.43 0.00 -1.44 -2.43 119.26 121.44 1s56 h ALA 24 Ca -0.07 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.53 1s56 h ALA 24 Cb 1.61 -0.18 0.02 0.00 0.00 0.00 0.00 17.79 19.24 1s56 h ALA 24 CO 0.16 0.15 -1.15 0.82 0.00 0.00 0.00 179.25 179.23 1s56 h ILE 25 N 0.69 1.29 -0.47 0.00 2.04 -1.26 -2.41 117.51 117.39 1s56 h ILE 25 Ca 0.29 -2.39 0.06 0.00 1.00 0.00 0.00 64.86 63.82 1s56 h ILE 25 Cb 0.26 2.56 -0.05 0.00 -0.74 0.00 0.00 36.82 38.85 1s56 h ILE 25 CO -0.09 0.73 0.18 -0.33 0.00 0.00 0.00 178.15 178.64 1s56 h GLU 26 N 0.32 0.35 -0.27 2.37 5.08 -1.19 -0.76 114.58 120.48 1s56 h GLU 26 Ca -0.16 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 1s56 h GLU 26 Cb 1.81 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 30.97 1s56 h GLU 26 CO 0.22 0.23 0.06 0.28 -1.00 0.00 0.00 179.01 178.81 1s56 h VAL 27 N 0.36 1.22 -0.28 3.13 2.07 -1.42 -1.59 116.25 119.73 1s56 h VAL 27 Ca 0.22 -0.71 0.01 0.00 0.82 0.00 0.00 66.70 67.04 1s56 h VAL 27 Cb 0.21 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 1s56 h VAL 27 CO -0.21 0.23 0.17 1.62 0.02 0.00 0.00 177.57 179.40 1s56 h VAL 28 N 0.27 1.04 -0.28 2.57 3.04 -1.29 -2.81 116.25 118.78 1s56 h VAL 28 Ca 0.09 -0.12 -0.01 0.00 -1.01 0.00 0.00 66.70 65.64 1s56 h VAL 28 Cb 0.29 0.66 -0.01 0.00 -2.01 0.00 0.00 31.29 30.22 1s56 h VAL 28 CO 0.00 0.06 0.12 0.58 -1.01 0.00 0.00 177.57 177.32 1s56 h VAL 29 N 0.34 1.11 0.01 1.51 2.07 -0.84 0.33 116.25 120.79 1s56 h VAL 29 Ca 0.11 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 1s56 h VAL 29 Cb -0.01 0.77 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1s56 h VAL 29 CO -0.05 0.13 -0.00 -0.33 0.02 0.00 0.00 177.57 177.34 1s56 h GLU 30 N 0.40 -0.01 -0.24 1.57 4.39 -1.08 -2.71 114.58 116.89 1s56 h GLU 30 Ca 0.10 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.82 1s56 h GLU 30 Cb 0.08 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 1s56 h GLU 30 CO -0.01 0.28 0.09 0.22 -1.16 0.00 0.00 179.01 178.43 1s56 h ASP 31 N -0.30 0.11 -0.56 1.42 3.58 -1.23 -1.67 116.42 117.76 1s56 h ASP 31 Ca -0.00 0.02 0.11 0.00 0.42 0.00 0.00 57.03 57.58 1s56 h ASP 31 Cb 0.30 0.01 -0.11 0.00 1.72 0.00 0.00 39.33 41.25 1s56 h ASP 31 CO 0.00 0.09 -0.14 0.15 -2.88 0.00 0.00 179.24 176.47 1s56 h PHE 32 N 0.20 -0.29 0.00 0.28 3.57 -0.31 -0.21 116.94 120.18 1s56 h PHE 32 Ca 0.11 0.05 -0.08 0.00 3.53 0.00 0.00 57.97 61.57 1s56 h PHE 32 Cb 0.07 0.22 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 1s56 h PHE 32 CO -0.12 -0.24 -0.39 1.88 -2.23 0.00 0.00 178.31 177.21 1s56 h TYR 33 N 0.00 0.00 -0.46 0.41 0.05 -1.32 0.62 116.97 116.27 1s56 h TYR 33 Ca 0.27 0.00 -0.06 0.00 0.05 0.00 0.00 58.73 58.99 1s56 h TYR 33 Cb 0.41 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.13 1s56 h TYR 33 CO -0.46 0.39 0.02 0.28 -1.05 0.00 0.00 178.16 177.34 1s56 h VAL 34 N 0.00 1.23 -0.02 -2.88 2.07 -0.28 -0.90 116.25 115.47 1s56 h VAL 34 Ca -0.00 -0.92 -0.24 0.00 0.82 0.00 0.00 66.70 66.36 1s56 h VAL 34 Cb 1.29 0.86 0.01 0.00 -1.52 0.00 0.00 31.29 31.92 1s56 h VAL 34 CO 0.05 0.33 -0.95 0.03 0.02 0.00 0.00 177.57 177.05 1s56 h ARG 35 N 0.70 0.57 -0.25 1.57 3.08 -0.23 -2.23 114.38 117.60 1s56 h ARG 35 Ca 0.14 -0.58 -0.09 0.00 0.07 0.00 0.00 59.98 59.52 1s56 h ARG 35 Cb 0.39 0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.60 1s56 h ARG 35 CO 0.01 1.20 -0.19 0.28 -1.07 0.00 0.00 179.97 180.20 1s56 h VAL 36 N 0.34 1.31 0.00 2.04 2.07 -0.85 -3.03 116.25 118.12 1s56 h VAL 36 Ca -0.09 -1.33 0.00 0.00 0.82 0.00 0.00 66.70 66.10 1s56 h VAL 36 Cb 1.58 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 32.98 1s56 h VAL 36 CO 0.18 0.41 0.00 -0.07 0.02 0.00 0.00 177.57 178.11 1s56 h LEU 37 N 0.27 0.00 0.00 2.57 3.38 -1.24 -2.45 115.31 117.85 1s56 h LEU 37 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1s56 h LEU 37 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 1s56 h LEU 37 CO 0.05 0.00 -0.26 0.00 0.09 0.00 0.00 178.44 178.32 1s56 n ALA 38 N -1.98 2.89 -2.64 1.53 0.00 -0.84 -4.77 120.51 114.71 1s56 n ALA 38 Ca 0.02 -0.21 -0.38 0.00 0.00 0.00 0.00 53.44 52.87 1s56 n ALA 38 Cb 0.34 -1.30 -0.09 0.00 0.00 0.00 0.00 19.45 18.40 1s56 n ALA 38 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1s56 s ASP 39 N -3.19 6.27 0.30 0.00 -1.08 -0.92 -4.98 116.67 113.07 1s56 s ASP 39 Ca 0.12 0.31 0.26 0.00 -0.52 0.00 0.00 52.55 52.71 1s56 s ASP 39 Cb 0.17 -2.18 0.96 0.00 -1.46 0.00 0.00 42.92 40.42 1s56 s ASP 39 CO 0.62 -0.07 1.76 0.44 0.52 0.00 0.00 175.17 178.45 1s56 h ASP 40 N 7.71 0.00 1.64 -0.34 3.45 -1.88 -0.47 116.42 126.53 1s56 h ASP 40 Ca -0.35 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.11 1s56 h ASP 40 Cb 1.17 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.94 1s56 h ASP 40 CO 0.67 0.00 -0.27 1.56 -1.57 0.00 0.00 179.24 179.63 1s56 h GLN 41 N 0.00 0.00 0.00 3.56 1.08 -1.93 -3.37 115.11 114.44 1s56 h GLN 41 Ca 0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 1s56 h GLN 41 Cb 0.51 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.94 1s56 h GLN 41 CO 0.00 0.00 -1.09 1.28 -0.95 0.00 0.00 178.83 178.07 1s56 n LEU 42 N -2.85 0.00 -0.08 1.46 4.77 -1.00 -4.84 117.00 114.46 1s56 n LEU 42 Ca 0.03 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.97 1s56 n LEU 42 Cb 0.52 0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 1s56 n LEU 42 CO 0.35 0.01 0.50 -1.28 -1.33 0.00 0.00 177.39 175.64 1s56 h SER 43 N 0.00 -0.63 -0.70 -1.43 0.87 -1.24 -1.83 113.55 108.59 1s56 h SER 43 Ca -0.01 0.09 0.25 0.00 -1.23 0.00 0.00 61.79 60.89 1s56 h SER 43 Cb 0.26 0.27 -0.13 0.00 -0.44 0.00 0.00 62.40 62.35 1s56 h SER 43 CO 0.00 -0.11 0.21 0.00 -0.53 0.00 0.00 176.83 176.41 1s56 n ALA 44 N -2.93 0.56 -0.32 6.23 0.00 -1.26 0.42 120.51 123.21 1s56 n ALA 44 Ca -0.00 0.74 0.22 0.00 0.00 0.00 0.00 53.44 54.39 1s56 n ALA 44 Cb 0.10 -0.64 0.50 0.00 0.00 0.00 0.00 19.45 19.40 1s56 n ALA 44 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1s56 h PHE 45 N 0.00 0.68 -0.68 0.00 0.04 -1.68 -0.92 116.94 114.38 1s56 h PHE 45 Ca 0.52 0.02 -0.26 0.00 2.80 0.00 0.00 57.97 61.05 1s56 h PHE 45 Cb 1.27 -0.20 -0.16 0.00 2.20 0.00 0.00 35.95 39.06 1s56 h PHE 45 CO -0.17 0.08 0.27 1.19 -0.60 0.00 0.00 178.31 179.08 1s56 n PHE 46 N -4.63 2.18 -0.11 -0.55 3.72 0.17 -4.56 117.46 113.68 1s56 n PHE 46 Ca 0.25 -1.41 -0.10 0.00 -0.05 0.00 0.00 57.45 56.14 1s56 n PHE 46 Cb 0.84 -0.67 -0.02 0.00 -0.94 0.00 0.00 39.48 38.69 1s56 n PHE 46 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 1s56 h SER 47 N 1.82 0.46 -1.63 4.37 0.87 -1.25 -3.24 113.55 114.95 1s56 h SER 47 Ca 0.32 -0.16 -0.72 0.00 -1.23 0.00 0.00 61.79 60.00 1s56 h SER 47 Cb 2.24 -0.12 -0.29 0.00 -0.44 0.00 0.00 62.40 63.79 1s56 h SER 47 CO 0.71 0.49 0.79 0.61 -0.53 0.00 0.00 176.83 178.90 1s56 n GLY 48 N -0.77 5.70 3.02 5.77 0.00 -1.26 -4.96 105.19 112.69 1s56 n GLY 48 Ca -0.01 -2.46 -0.22 0.00 0.00 0.00 0.00 46.02 43.32 1s56 n GLY 48 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1s56 s THR 49 N -5.03 0.97 -0.83 2.61 2.01 -1.23 -5.07 115.64 109.07 1s56 s THR 49 Ca 0.55 -0.43 -0.26 0.00 0.31 0.00 0.00 61.69 61.86 1s56 s THR 49 Cb 0.46 -0.87 0.03 0.00 0.01 0.00 0.00 72.50 72.13 1s56 s THR 49 CO -0.27 0.30 1.39 0.21 -0.69 0.00 0.00 174.62 175.57 1s56 s ASN 50 N 0.36 6.19 0.16 3.53 3.04 -1.26 -4.90 114.94 122.06 1s56 s ASN 50 Ca -0.07 -0.75 -0.15 0.00 0.04 0.00 0.00 52.86 51.93 1s56 s ASN 50 Cb -0.12 -2.56 0.04 0.00 -1.54 0.00 0.00 41.25 37.07 1s56 s ASN 50 CO 0.02 -1.79 1.81 0.24 -3.04 0.00 0.00 177.10 174.34 1s56 h MET 51 N 10.27 0.63 -0.91 0.43 2.86 -1.98 -1.81 114.93 124.42 1s56 h MET 51 Ca -0.10 -0.05 0.15 0.00 -2.06 0.00 0.00 59.70 57.64 1s56 h MET 51 Cb 1.04 -0.14 -0.10 0.00 0.06 0.00 0.00 31.60 32.47 1s56 h MET 51 CO 1.32 0.44 0.51 0.77 1.06 0.00 0.00 176.91 181.01 1s56 h SER 52 N 0.64 0.65 -0.57 1.22 0.02 -1.99 0.54 113.55 114.06 1s56 h SER 52 Ca 0.17 0.09 -0.10 0.00 -0.84 0.00 0.00 61.79 61.11 1s56 h SER 52 Cb -0.04 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 1s56 h SER 52 CO -0.04 0.27 -0.01 -0.09 -1.14 0.00 0.00 176.83 175.83 1s56 h ARG 53 N 0.71 1.03 0.12 3.45 2.43 -1.83 -2.61 114.38 117.69 1s56 h ARG 53 Ca 0.50 -0.33 -0.01 0.00 -0.81 0.00 0.00 59.98 59.33 1s56 h ARG 53 Cb 0.69 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 1s56 h ARG 53 CO -0.35 1.02 -0.06 1.25 -1.51 0.00 0.00 179.97 180.32 1s56 h LEU 54 N 0.94 -0.14 -0.97 3.80 5.85 -0.24 -1.27 115.31 123.29 1s56 h LEU 54 Ca 0.17 -0.40 0.24 0.00 0.84 0.00 0.00 57.88 58.73 1s56 h LEU 54 Cb 0.56 0.04 -0.13 0.00 0.37 0.00 0.00 40.66 41.50 1s56 h LEU 54 CO 0.03 0.39 0.53 0.11 -0.34 0.00 0.00 178.44 179.16 1s56 h LYS 55 N -0.73 0.49 -0.07 1.25 1.57 -0.09 0.55 116.57 119.53 1s56 h LYS 55 Ca -0.02 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 1s56 h LYS 55 Cb 0.53 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 1s56 h LYS 55 CO 0.03 0.32 0.01 0.78 -0.57 0.00 0.00 179.45 180.02 1s56 h GLY 56 N 0.50 0.13 1.95 3.86 0.00 -1.33 -1.12 103.07 107.06 1s56 h GLY 56 Ca 0.63 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.86 1s56 h GLY 56 CO -0.50 0.08 -0.03 0.50 0.00 0.00 0.00 176.54 176.59 1s56 h LYS 57 N -0.12 0.06 0.09 4.80 6.56 0.19 -2.94 116.57 125.22 1s56 h LYS 57 Ca 0.02 -0.01 -0.30 0.00 -1.06 0.00 0.00 60.65 59.30 1s56 h LYS 57 Cb 0.28 -0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 31.91 1s56 h LYS 57 CO 0.00 0.10 -1.55 0.37 -2.06 0.00 0.00 179.45 176.31 1s56 h GLN 58 N 0.06 0.20 -0.82 3.15 5.75 0.23 -2.49 115.11 121.20 1s56 h GLN 58 Ca 0.02 -0.34 0.06 0.00 -0.15 0.00 0.00 58.65 58.24 1s56 h GLN 58 Cb 0.09 0.13 -0.05 0.00 1.07 0.00 0.00 27.48 28.72 1s56 h GLN 58 CO 0.00 1.03 0.54 0.28 -2.65 0.00 0.00 178.83 178.03 1s56 h VAL 59 N 0.05 1.06 -0.31 2.39 2.07 -1.19 -1.09 116.25 119.24 1s56 h VAL 59 Ca -0.25 -0.31 -0.16 0.00 0.82 0.00 0.00 66.70 66.80 1s56 h VAL 59 Cb 2.00 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1s56 h VAL 59 CO 0.14 0.17 -0.44 -0.33 0.02 0.00 0.00 177.57 177.13 1s56 h GLU 60 N 0.91 0.78 0.01 1.57 5.08 -1.45 -1.71 114.58 119.79 1s56 h GLU 60 Ca 0.35 -0.43 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1s56 h GLU 60 Cb 0.20 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.48 1s56 h GLU 60 CO -0.12 1.06 -0.01 0.35 -1.00 0.00 0.00 179.01 179.30 1s56 h PHE 61 N 0.63 -0.02 -0.46 4.33 3.57 -0.95 -1.29 116.94 122.75 1s56 h PHE 61 Ca 0.04 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 1s56 h PHE 61 Cb 1.01 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.74 1s56 h PHE 61 CO 0.06 0.66 0.16 0.74 -2.23 0.00 0.00 178.31 177.69 1s56 h PHE 62 N -0.73 0.73 -0.17 0.41 0.04 -1.33 0.36 116.94 116.25 1s56 h PHE 62 Ca -0.00 -0.07 0.05 0.00 2.80 0.00 0.00 57.97 60.75 1s56 h PHE 62 Cb 0.69 -0.21 -0.05 0.00 2.20 0.00 0.00 35.95 38.57 1s56 h PHE 62 CO 0.17 0.64 -0.14 0.00 -0.60 0.00 0.00 178.31 178.38 1s56 h ALA 63 N 1.01 -0.02 -0.68 2.45 0.00 -1.36 0.11 119.26 120.78 1s56 h ALA 63 Ca 0.15 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1s56 h ALA 63 Cb 0.24 0.31 -0.04 0.00 0.00 0.00 0.00 17.79 18.31 1s56 h ALA 63 CO -0.01 -0.58 0.44 0.00 0.00 0.00 0.00 179.25 179.10 1s56 h ALA 64 N 0.95 0.86 0.00 0.00 0.00 -0.77 -1.01 119.26 119.30 1s56 h ALA 64 Ca 0.11 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1s56 h ALA 64 Cb 0.32 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1s56 h ALA 64 CO -0.27 0.26 -0.24 0.00 0.00 0.00 0.00 179.25 179.00 1s56 h ALA 65 N 1.26 1.40 -0.21 0.00 0.00 0.49 -2.95 119.26 119.25 1s56 h ALA 65 Ca 0.25 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1s56 h ALA 65 Cb -0.08 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1s56 h ALA 65 CO -0.07 0.30 0.00 1.28 0.00 0.00 0.00 179.25 180.76 1s56 n LEU 66 N -3.96 3.15 0.00 0.00 4.77 0.32 -4.94 117.00 116.35 1s56 n LEU 66 Ca -0.02 -1.21 0.00 0.00 -0.03 0.00 0.00 56.01 54.75 1s56 n LEU 66 Cb 0.32 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.28 1s56 n LEU 66 CO 0.35 0.61 0.00 0.61 -1.33 0.00 0.00 177.39 177.63 1s56 n GLY 67 N 1.42 0.97 3.76 -0.72 0.00 -0.97 0.20 105.19 109.85 1s56 n GLY 67 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1s56 n GLY 67 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1s56 s GLY 68 N -0.48 1.72 0.00 -0.02 0.00 -0.46 -4.92 107.32 103.16 1s56 s GLY 68 Ca 0.00 0.32 0.21 0.00 0.00 0.00 0.00 44.72 45.24 1s56 s GLY 68 CO 0.00 0.67 1.62 -1.55 0.00 0.00 0.00 173.10 173.84 1s56 n PRO 69 N -3.47 1.50 -3.41 2.90 -0.04 -1.26 -4.63 135.00 126.59 1s56 n PRO 69 Ca 0.09 -0.75 -0.35 0.00 -0.04 0.00 0.00 63.50 62.46 1s56 n PRO 69 Cb 0.53 -1.37 -0.06 0.00 -0.04 0.00 0.00 33.50 32.56 1s56 n PRO 69 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 1s56 s GLU 70 N -1.87 3.91 0.12 0.54 1.03 -1.26 -5.06 118.70 116.11 1s56 s GLU 70 Ca 0.32 0.39 -0.16 0.00 0.03 0.00 0.00 54.97 55.55 1s56 s GLU 70 Cb 0.16 -2.90 -0.07 0.00 -0.80 0.00 0.00 34.13 30.53 1s56 s GLU 70 CO 0.26 0.47 0.56 -1.25 -1.33 0.00 0.00 175.26 173.96 1s56 s PRO 71 N -2.09 4.07 -0.15 -4.83 0.05 -1.26 -4.44 135.00 126.35 1s56 s PRO 71 Ca 0.38 0.60 -0.27 0.00 0.05 0.00 0.00 61.00 61.76 1s56 s PRO 71 Cb -0.14 -3.06 -0.01 0.00 0.05 0.00 0.00 34.50 31.34 1s56 s PRO 71 CO 0.19 0.55 0.92 -0.47 0.05 0.00 0.00 177.00 178.24 1s56 s TYR 72 N -1.32 3.45 -0.32 0.56 5.04 -1.26 -4.87 117.35 118.64 1s56 s TYR 72 Ca 0.34 1.41 0.07 0.00 -2.44 0.00 0.00 57.07 56.46 1s56 s TYR 72 Cb -0.17 -3.11 0.46 0.00 0.35 0.00 0.00 41.96 39.50 1s56 s TYR 72 CO 0.19 -0.25 1.35 0.25 -1.34 0.00 0.00 175.55 175.74 1s56 n THR 73 N 4.71 2.59 -4.02 4.34 -2.24 -1.26 -5.03 114.28 113.37 1s56 n THR 73 Ca 0.07 -3.58 -0.18 0.00 -2.27 0.00 0.00 64.05 58.09 1s56 n THR 73 Cb 0.48 -0.79 -0.02 0.00 -2.10 0.00 0.00 70.33 67.91 1s56 n THR 73 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s56 n GLY 74 N -0.90 3.23 3.85 3.38 0.00 -1.26 -5.09 105.19 108.40 1s56 n GLY 74 Ca 0.39 -2.27 -0.31 0.00 0.00 0.00 0.00 46.02 43.82 1s56 n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s56 s ALA 75 N -2.50 2.99 0.74 4.61 0.00 -1.26 -5.04 121.76 121.30 1s56 s ALA 75 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 51.96 51.94 1s56 s ALA 75 Cb -0.01 -3.11 0.05 0.00 0.00 0.00 0.00 23.12 20.05 1s56 s ALA 75 CO 0.07 -0.76 1.14 -2.14 0.00 0.00 0.00 175.76 174.08 1s56 s PRO 76 N -4.97 2.20 0.07 0.00 0.02 -1.26 -4.91 135.00 126.15 1s56 s PRO 76 Ca 0.56 1.48 -0.18 0.00 0.02 0.00 0.00 61.00 62.89 1s56 s PRO 76 Cb -0.12 -1.87 -0.11 0.00 0.02 0.00 0.00 34.50 32.42 1s56 s PRO 76 CO 0.51 -1.73 1.40 0.52 -0.33 0.00 0.00 177.00 177.36 1s56 h MET 77 N -0.61 0.51 -0.04 5.54 2.86 -1.96 -2.84 114.93 118.39 1s56 h MET 77 Ca -0.46 -0.26 0.03 0.00 -2.06 0.00 0.00 59.70 56.96 1s56 h MET 77 Cb 1.26 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.88 1s56 h MET 77 CO 0.50 0.83 -0.17 -0.22 1.06 0.00 0.00 176.91 178.90 1s56 h LYS 78 N 0.20 -0.25 0.38 1.72 3.64 -1.94 -2.96 116.57 117.37 1s56 h LYS 78 Ca 0.04 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.42 1s56 h LYS 78 Cb 0.71 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.59 1s56 h LYS 78 CO 0.05 -0.17 -0.18 1.96 -2.27 0.00 0.00 179.45 178.84 1s56 h GLN 79 N -0.26 -0.49 -0.45 1.90 7.50 -1.85 -0.22 115.11 121.23 1s56 h GLN 79 Ca 0.07 0.03 0.05 0.00 0.50 0.00 0.00 58.65 59.30 1s56 h GLN 79 Cb 0.35 0.11 -0.03 0.00 0.05 0.00 0.00 27.48 27.97 1s56 h GLN 79 CO -0.20 -0.29 0.30 -0.24 -1.50 0.00 0.00 178.83 176.90 1s56 h VAL 80 N -0.57 0.98 0.00 -0.54 3.04 -1.52 -3.04 116.25 114.60 1s56 h VAL 80 Ca -0.05 -0.14 -0.01 0.00 -1.01 0.00 0.00 66.70 65.49 1s56 h VAL 80 Cb 0.43 0.55 -0.00 0.00 -2.01 0.00 0.00 31.29 30.25 1s56 h VAL 80 CO 0.09 0.07 -1.88 1.41 -1.01 0.00 0.00 177.57 176.25 1s56 n HIS 81 N -4.48 0.13 -1.68 3.17 8.25 -1.12 -4.88 115.22 114.62 1s56 n HIS 81 Ca 0.06 0.04 -0.45 0.00 -0.26 0.00 0.00 57.72 57.10 1s56 n HIS 81 Cb 0.22 -0.57 -0.04 0.00 1.12 0.00 0.00 29.99 30.72 1s56 n HIS 81 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1s56 n GLN 82 N -2.33 2.37 -0.49 -0.41 10.64 -0.11 -2.32 117.38 124.72 1s56 n GLN 82 Ca -0.04 0.86 0.00 0.00 -1.83 0.00 0.00 57.00 55.99 1s56 n GLN 82 Cb 0.58 -2.69 0.00 0.00 -0.86 0.00 0.00 30.24 27.27 1s56 n GLN 82 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 1s56 n GLY 83 N 3.97 0.81 0.38 2.61 0.00 -1.26 -4.89 105.19 106.80 1s56 n GLY 83 Ca 0.19 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.31 1s56 n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s56 n ARG 84 N -2.00 1.50 -2.18 1.61 1.74 -0.98 -4.89 116.66 111.46 1s56 n ARG 84 Ca 0.00 -0.75 -0.16 0.00 -0.77 0.00 0.00 57.85 56.17 1s56 n ARG 84 Cb 0.00 -1.36 -0.02 0.00 -1.02 0.00 0.00 32.46 30.07 1s56 n ARG 84 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s56 n GLY 85 N 1.02 -0.00 3.67 -0.13 0.00 -1.26 -4.96 105.19 103.52 1s56 n GLY 85 Ca 0.15 -0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.52 1s56 n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s56 s ILE 86 N -2.77 4.67 0.50 -0.61 1.01 -1.26 -4.94 121.20 117.80 1s56 s ILE 86 Ca 0.00 1.98 0.08 0.00 0.00 0.00 0.00 60.65 62.71 1s56 s ILE 86 Cb 0.00 -4.28 0.03 0.00 0.01 0.00 0.00 42.46 38.22 1s56 s ILE 86 CO 0.00 -0.11 0.52 0.42 0.00 0.00 0.00 174.94 175.77 1s56 s THR 87 N 2.77 2.23 0.19 2.92 -4.23 -1.26 -0.91 115.64 117.34 1s56 s THR 87 Ca 0.47 -1.27 -0.12 0.00 -1.18 0.00 0.00 61.69 59.59 1s56 s THR 87 Cb -0.17 -2.49 0.10 0.00 1.34 0.00 0.00 72.50 71.28 1s56 s THR 87 CO 0.11 0.00 1.82 -0.03 -0.54 0.00 0.00 174.62 175.99 1s56 h MET 88 N 0.67 0.87 -0.62 3.99 4.05 -1.96 0.24 114.93 122.18 1s56 h MET 88 Ca -0.37 -0.08 0.12 0.00 -0.28 0.00 0.00 59.70 59.09 1s56 h MET 88 Cb 1.29 -0.18 -0.12 0.00 -0.80 0.00 0.00 31.60 31.78 1s56 h MET 88 CO 0.52 0.63 -0.26 1.25 0.23 0.00 0.00 176.91 179.27 1s56 h HIS 89 N 0.87 -0.68 -0.57 1.39 -0.00 -2.00 0.32 115.15 114.50 1s56 h HIS 89 Ca 0.23 0.07 -0.06 0.00 -0.00 0.00 0.00 60.37 60.61 1s56 h HIS 89 Cb -0.01 0.39 -0.02 0.00 -0.00 0.00 0.00 27.41 27.76 1s56 h HIS 89 CO -0.02 -0.34 0.13 0.45 -0.00 0.00 0.00 177.93 178.15 1s56 h HIS 90 N -0.10 0.95 -0.72 5.26 -0.00 -1.62 -2.59 115.15 116.33 1s56 h HIS 90 Ca 0.27 -0.12 0.06 0.00 -0.00 0.00 0.00 60.37 60.58 1s56 h HIS 90 Cb 0.53 -0.27 -0.05 0.00 -0.00 0.00 0.00 27.41 27.61 1s56 h HIS 90 CO -0.59 0.82 0.42 0.35 -0.00 0.00 0.00 177.93 178.93 1s56 h PHE 91 N 0.81 0.78 -0.27 2.45 3.57 0.40 -2.36 116.94 122.33 1s56 h PHE 91 Ca 0.18 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.63 1s56 h PHE 91 Cb 0.35 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.84 1s56 h PHE 91 CO 0.02 0.39 -0.12 0.77 -2.23 0.00 0.00 178.31 177.15 1s56 h SER 92 N 0.78 0.57 -0.95 0.41 0.02 -0.84 -0.60 113.55 112.95 1s56 h SER 92 Ca 0.32 -0.40 0.05 0.00 -0.84 0.00 0.00 61.79 60.91 1s56 h SER 92 Cb 0.16 -0.16 -0.06 0.00 0.14 0.00 0.00 62.40 62.48 1s56 h SER 92 CO -0.17 0.84 0.62 -0.07 -1.14 0.00 0.00 176.83 176.91 1s56 h LEU 93 N 0.29 1.00 -0.46 5.07 3.38 -1.34 0.18 115.31 123.43 1s56 h LEU 93 Ca 0.06 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1s56 h LEU 93 Cb 0.62 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 1s56 h LEU 93 CO 0.04 0.66 0.03 0.58 0.09 0.00 0.00 178.44 179.84 1s56 h VAL 94 N 1.14 1.26 0.00 1.22 2.07 -1.21 -1.72 116.25 119.01 1s56 h VAL 94 Ca 0.39 -0.99 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1s56 h VAL 94 Cb 0.09 0.99 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1s56 h VAL 94 CO -0.13 0.34 0.00 0.00 0.02 0.00 0.00 177.57 177.80 1s56 h ALA 95 N 0.93 1.00 0.11 1.67 0.00 -0.18 -2.01 119.26 120.78 1s56 h ALA 95 Ca 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1s56 h ALA 95 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1s56 h ALA 95 CO 0.02 0.00 -0.05 0.78 0.00 0.00 0.00 179.25 180.00 1s56 h GLY 96 N 1.08 -0.15 0.78 0.00 0.00 0.23 -2.89 103.07 102.12 1s56 h GLY 96 Ca 0.00 0.06 0.06 0.00 0.00 0.00 0.00 47.33 47.44 1s56 h GLY 96 CO 0.00 -0.05 0.62 0.45 0.00 0.00 0.00 176.54 177.56 1s56 h HIS 97 N -0.92 1.16 -0.33 5.60 3.86 -1.24 0.15 115.15 123.44 1s56 h HIS 97 Ca -0.01 0.03 0.07 0.00 -1.16 0.00 0.00 60.37 59.30 1s56 h HIS 97 Cb 0.53 -0.38 -0.08 0.00 1.06 0.00 0.00 27.41 28.54 1s56 h HIS 97 CO 0.11 0.62 -0.22 1.25 0.86 0.00 0.00 177.93 180.55 1s56 h LEU 98 N 1.15 -0.71 -0.51 2.43 6.46 -1.47 0.21 115.31 122.88 1s56 h LEU 98 Ca 0.41 0.15 -0.04 0.00 -0.12 0.00 0.00 57.88 58.27 1s56 h LEU 98 Cb 0.12 0.36 -0.02 0.00 -0.73 0.00 0.00 40.66 40.39 1s56 h LEU 98 CO -0.16 -0.25 0.16 0.00 -0.62 0.00 0.00 178.44 177.57 1s56 h ALA 99 N 0.99 0.66 -0.79 1.25 0.00 -0.94 0.70 119.26 121.14 1s56 h ALA 99 Ca 0.17 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1s56 h ALA 99 Cb 0.44 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 1s56 h ALA 99 CO -0.43 0.32 0.34 -0.44 0.00 0.00 0.00 179.25 179.03 1s56 h ASP 100 N 0.69 1.06 -0.45 0.00 3.32 -0.47 0.16 116.42 120.73 1s56 h ASP 100 Ca 0.16 -0.15 -0.12 0.00 0.02 0.00 0.00 57.03 56.94 1s56 h ASP 100 Cb 0.27 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1s56 h ASP 100 CO -0.01 0.92 -0.19 0.00 -1.72 0.00 0.00 179.24 178.25 1s56 h ALA 101 N 1.23 0.62 -0.34 3.45 0.00 -0.18 0.18 119.26 124.23 1s56 h ALA 101 Ca 0.27 -0.37 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1s56 h ALA 101 Cb 0.18 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1s56 h ALA 101 CO -0.03 0.59 0.02 -0.07 0.00 0.00 0.00 179.25 179.76 1s56 h LEU 102 N 0.75 0.57 -0.37 0.00 3.38 -0.48 -1.52 115.31 117.64 1s56 h LEU 102 Ca 0.10 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.81 1s56 h LEU 102 Cb 0.75 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 1s56 h LEU 102 CO 0.06 0.72 0.19 0.74 0.09 0.00 0.00 178.44 180.24 1s56 h THR 103 N 0.40 0.99 0.00 0.22 2.02 -0.51 -1.46 112.91 114.56 1s56 h THR 103 Ca 0.10 -0.13 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 1s56 h THR 103 Cb 0.42 0.56 -0.00 0.00 -1.74 0.00 0.00 68.15 67.38 1s56 h THR 103 CO 0.01 0.07 -0.17 0.00 0.37 0.00 0.00 175.52 175.81 1s56 h ALA 104 N 1.19 1.72 -0.01 6.16 0.00 -0.46 0.20 119.26 128.06 1s56 h ALA 104 Ca 0.16 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1s56 h ALA 104 Cb 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1s56 h ALA 104 CO -0.11 0.21 0.00 0.00 0.00 0.00 0.00 179.25 179.35 1s56 n ALA 105 N -2.50 2.58 -1.12 0.00 0.00 -0.59 -4.89 120.51 113.99 1s56 n ALA 105 Ca -0.02 -0.10 -0.04 0.00 0.00 0.00 0.00 53.44 53.27 1s56 n ALA 105 Cb 0.23 -1.21 -0.02 0.00 0.00 0.00 0.00 19.45 18.45 1s56 n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s56 n GLY 106 N 0.73 0.69 3.68 0.00 0.00 0.72 -4.99 105.19 106.01 1s56 n GLY 106 Ca 0.10 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 45.03 1s56 n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s56 s VAL 107 N -2.10 4.19 0.51 1.61 1.01 -0.60 -4.98 120.40 120.04 1s56 s VAL 107 Ca 0.00 1.50 -0.21 0.00 0.00 0.00 0.00 61.98 63.28 1s56 s VAL 107 Cb 0.00 -3.97 -0.09 0.00 0.00 0.00 0.00 36.38 32.32 1s56 s VAL 107 CO 0.00 -0.04 0.78 -2.65 0.00 0.00 0.00 175.10 173.19 1s56 n PRO 108 N 5.59 0.87 0.19 2.72 -0.02 -1.26 -4.39 135.00 138.70 1s56 n PRO 108 Ca 0.12 0.32 0.04 0.00 -2.02 0.00 0.00 63.50 61.96 1s56 n PRO 108 Cb 0.45 -1.89 0.36 0.00 -0.02 0.00 0.00 33.50 32.41 1s56 n PRO 108 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1s56 h SER 109 N 0.78 0.00 -0.36 2.55 4.64 -1.98 -0.05 113.55 119.14 1s56 h SER 109 Ca -0.45 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.80 1s56 h SER 109 Cb 1.37 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.44 1s56 h SER 109 CO 0.52 0.38 -0.02 -0.08 -0.87 0.00 0.00 176.83 176.76 1s56 h GLU 110 N 0.00 0.74 0.05 4.77 4.81 -1.99 0.17 114.58 123.14 1s56 h GLU 110 Ca -0.00 -0.20 -0.24 0.00 -0.13 0.00 0.00 59.36 58.78 1s56 h GLU 110 Cb 0.74 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.03 1s56 h GLU 110 CO 0.05 0.77 -1.04 1.15 -0.73 0.00 0.00 179.01 179.21 1s56 h THR 111 N 0.69 1.45 0.01 0.32 2.02 -1.67 -2.16 112.91 113.57 1s56 h THR 111 Ca 0.13 -2.69 0.01 0.00 0.77 0.00 0.00 66.41 64.64 1s56 h THR 111 Cb 0.46 2.62 -0.01 0.00 -1.74 0.00 0.00 68.15 69.47 1s56 h THR 111 CO 0.02 0.79 -0.07 0.40 0.37 0.00 0.00 175.52 177.04 1s56 h ILE 112 N 0.16 0.83 -0.13 3.11 2.04 -0.72 -0.24 117.51 122.56 1s56 h ILE 112 Ca -0.10 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.80 1s56 h ILE 112 Cb 1.71 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.62 1s56 h ILE 112 CO 0.18 0.00 0.10 0.74 0.00 0.00 0.00 178.15 179.17 1s56 h THR 113 N -0.13 0.81 -0.04 -0.27 2.02 -0.67 -0.50 112.91 114.13 1s56 h THR 113 Ca 0.02 0.00 -0.24 0.00 0.77 0.00 0.00 66.41 66.96 1s56 h THR 113 Cb 0.15 0.93 0.01 0.00 -1.74 0.00 0.00 68.15 67.50 1s56 h THR 113 CO -0.06 0.00 -0.93 -0.08 0.37 0.00 0.00 175.52 174.81 1s56 h GLU 114 N 0.00 0.61 -0.18 6.66 4.81 -0.73 -2.76 114.58 123.00 1s56 h GLU 114 Ca 0.06 -0.61 -0.10 0.00 -0.13 0.00 0.00 59.36 58.58 1s56 h GLU 114 Cb 0.26 0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.79 1s56 h GLU 114 CO -0.00 1.22 -0.32 0.82 -0.73 0.00 0.00 179.01 180.00 1s56 h ILE 115 N 0.37 1.28 -0.44 2.32 2.04 0.44 -2.91 117.51 120.60 1s56 h ILE 115 Ca -0.09 -1.36 -0.14 0.00 1.00 0.00 0.00 64.86 64.27 1s56 h ILE 115 Cb 1.57 1.50 -0.01 0.00 -0.74 0.00 0.00 36.82 39.14 1s56 h ILE 115 CO 0.18 0.42 -0.27 -0.07 0.00 0.00 0.00 178.15 178.40 1s56 h LEU 116 N 0.31 0.99 0.00 1.44 3.38 -1.16 -1.97 115.31 118.30 1s56 h LEU 116 Ca 0.04 -0.40 0.00 0.00 0.09 0.00 0.00 57.88 57.61 1s56 h LEU 116 Cb 0.72 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1s56 h LEU 116 CO 0.06 1.19 0.00 0.61 0.09 0.00 0.00 178.44 180.39 1s56 n GLY 117 N -0.04 -0.99 0.09 0.83 0.00 -1.05 -0.02 105.19 104.01 1s56 n GLY 117 Ca -0.01 -0.10 -0.08 0.00 0.00 0.00 0.00 46.02 45.83 1s56 n GLY 117 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1s56 n VAL 118 N -1.27 1.39 0.03 1.61 0.31 -0.85 -4.43 118.33 115.11 1s56 n VAL 118 Ca 0.11 -0.82 -0.15 0.00 -0.01 0.00 0.00 64.34 63.47 1s56 n VAL 118 Cb 0.17 -0.64 -0.14 0.00 -0.91 0.00 0.00 33.84 32.32 1s56 n VAL 118 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1s56 h ILE 119 N 0.00 1.02 -0.34 2.52 5.03 -0.83 -3.41 117.51 121.50 1s56 h ILE 119 Ca -0.42 -2.73 0.07 0.00 -0.12 0.00 0.00 64.86 61.66 1s56 h ILE 119 Cb 2.09 2.64 -0.08 0.00 -3.03 0.00 0.00 36.82 38.43 1s56 h ILE 119 CO 0.04 0.76 -0.25 0.00 -0.68 0.00 0.00 178.15 178.02 1s56 h ALA 120 N 0.57 -0.07 -1.10 1.87 0.00 -0.65 0.30 119.26 120.17 1s56 h ALA 120 Ca -0.27 0.11 0.33 0.00 0.00 0.00 0.00 54.91 55.07 1s56 h ALA 120 Cb 2.00 0.55 -0.12 0.00 0.00 0.00 0.00 17.79 20.22 1s56 h ALA 120 CO 0.13 -0.65 0.68 -1.35 0.00 0.00 0.00 179.25 178.06 1s56 h PRO 121 N -0.21 0.30 0.00 0.00 0.11 -1.82 0.11 132.00 130.49 1s56 h PRO 121 Ca 0.17 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1s56 h PRO 121 Cb 0.48 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.52 1s56 h PRO 121 CO -0.46 0.20 0.00 1.28 -0.21 0.00 0.00 178.00 178.81 1s56 n LEU 122 N -4.79 0.00 -0.16 2.35 4.32 0.09 -2.39 117.00 116.42 1s56 n LEU 122 Ca 0.31 0.45 -0.04 0.00 -0.02 0.00 0.00 56.01 56.71 1s56 n LEU 122 Cb 1.05 -0.45 0.15 0.00 -1.62 0.00 0.00 43.42 42.54 1s56 n LEU 122 CO 0.19 -0.37 0.96 0.00 -1.22 0.00 0.00 177.39 176.95 1s56 h ALA 123 N 2.21 1.13 -0.96 -1.18 0.00 -0.86 -1.69 119.26 117.90 1s56 h ALA 123 Ca 0.00 -0.22 0.18 0.00 0.00 0.00 0.00 54.91 54.87 1s56 h ALA 123 Cb 0.09 -0.23 -0.09 0.00 0.00 0.00 0.00 17.79 17.56 1s56 h ALA 123 CO 0.00 0.58 0.61 0.28 0.00 0.00 0.00 179.25 180.72 1s56 h VAL 124 N 0.87 0.74 0.00 0.00 2.07 -1.68 0.41 116.25 118.66 1s56 h VAL 124 Ca 0.19 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.48 1s56 h VAL 124 Cb 0.34 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1s56 h VAL 124 CO 0.00 0.12 -0.09 0.44 0.02 0.00 0.00 177.57 178.07 1s56 h ASP 125 N 0.67 0.00 0.22 0.57 5.19 -1.55 -3.38 116.42 118.14 1s56 h ASP 125 Ca 0.52 -0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 56.58 1s56 h ASP 125 Cb 0.91 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.38 1s56 h ASP 125 CO -0.28 0.00 -2.01 0.52 -3.12 0.00 0.00 179.24 174.35 1s56 n VAL 126 N -3.02 1.64 -2.58 -1.35 0.31 0.13 -4.01 118.33 109.44 1s56 n VAL 126 Ca 0.04 -0.72 -0.22 0.00 -0.01 0.00 0.00 64.34 63.43 1s56 n VAL 126 Cb 0.53 -1.30 0.06 0.00 -0.91 0.00 0.00 33.84 32.22 1s56 n VAL 126 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 1s56 s THR 127 N -2.56 2.47 0.05 2.52 -4.23 -0.31 -4.61 115.64 108.97 1s56 s THR 127 Ca -0.16 -0.61 0.06 0.00 -1.18 0.00 0.00 61.69 59.80 1s56 s THR 127 Cb 0.07 -2.87 -0.04 0.00 1.34 0.00 0.00 72.50 71.01 1s56 s THR 127 CO 0.77 0.00 -0.11 -0.94 -0.54 0.00 0.00 174.62 173.80 1s56 s SER 128 N -4.52 4.32 0.00 3.99 1.04 -0.08 -4.95 113.70 113.48 1s56 s SER 128 Ca 0.60 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.73 1s56 s SER 128 Cb -0.09 -0.87 0.00 0.00 0.10 0.00 0.00 66.02 65.16 1s56 s SER 128 CO 0.41 0.24 0.00 0.61 0.98 0.00 0.00 173.24 175.48