#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 0.63 0.00 0.99 5.85 -2.01 -1.91 115.31 118.86 1s56 h LEU 3 Ca 0.00 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.78 1s56 h LEU 3 Cb 0.00 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 40.97 1s56 h LEU 3 CO 0.00 0.27 -0.23 0.25 -0.34 0.00 0.00 178.44 178.40 1s56 h LEU 4 N 0.64 0.00 0.00 2.25 5.85 -2.04 -2.50 115.31 119.51 1s56 h LEU 4 Ca 0.49 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.21 1s56 h LEU 4 Cb 0.90 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.93 1s56 h LEU 4 CO -0.25 0.00 -1.52 -1.20 -0.34 0.00 0.00 178.44 175.13 1s56 n SER 5 N -2.91 0.38 0.11 1.25 7.64 -0.92 -3.01 113.62 116.16 1s56 n SER 5 Ca 0.03 0.05 -0.04 0.00 1.01 0.00 0.00 58.87 59.92 1s56 n SER 5 Cb 0.52 1.31 0.08 0.00 -1.01 0.00 0.00 64.21 65.11 1s56 n SER 5 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 1s56 h ARG 6 N 0.00 0.06 -0.11 1.43 3.08 -1.25 -2.86 114.38 114.74 1s56 h ARG 6 Ca 0.00 -0.06 -0.21 0.00 0.07 0.00 0.00 59.98 59.78 1s56 h ARG 6 Cb 0.95 0.01 0.01 0.00 0.08 0.00 0.00 29.97 31.03 1s56 h ARG 6 CO 0.00 0.77 -0.75 -0.07 -1.07 0.00 0.00 179.97 178.85 1s56 h LEU 7 N 0.04 0.85 -1.27 3.04 3.38 -1.52 -1.18 115.31 118.65 1s56 h LEU 7 Ca -0.01 -0.66 0.05 0.00 0.09 0.00 0.00 57.88 57.35 1s56 h LEU 7 Cb 1.30 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 41.75 1s56 h LEU 7 CO 0.10 1.37 0.52 0.03 0.09 0.00 0.00 178.44 180.56 1s56 h ARG 8 N 0.39 0.88 0.00 1.13 3.08 -1.58 -0.85 114.38 117.43 1s56 h ARG 8 Ca -0.06 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1s56 h ARG 8 Cb 1.39 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 31.24 1s56 h ARG 8 CO 0.15 0.58 0.00 0.87 -1.07 0.00 0.00 179.97 180.51 1s56 h LYS 9 N 0.91 0.00 -3.49 0.04 1.57 -1.35 -3.46 116.57 110.79 1s56 h LYS 9 Ca 0.33 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.97 1s56 h LYS 9 Cb 0.16 0.00 0.07 0.00 0.08 0.00 0.00 32.23 32.54 1s56 h LYS 9 CO -0.11 0.00 -0.33 -2.13 -0.57 0.00 0.00 179.45 176.31 1s56 n ARG 10 N -2.71 -2.98 -2.99 3.15 0.63 -0.32 -5.07 116.66 106.37 1s56 n ARG 10 Ca 0.01 0.37 -0.28 0.00 -0.92 0.00 0.00 57.85 57.02 1s56 n ARG 10 Cb 0.24 -3.96 -0.02 0.00 0.45 0.00 0.00 32.46 29.17 1s56 n ARG 10 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 1s56 s GLU 11 N -4.76 3.64 0.18 -0.14 2.02 -0.46 -5.04 118.70 114.14 1s56 s GLU 11 Ca 0.05 0.17 -0.12 0.00 0.02 0.00 0.00 54.97 55.08 1s56 s GLU 11 Cb -0.02 -2.49 -0.07 0.00 0.10 0.00 0.00 34.13 31.65 1s56 s GLU 11 CO 0.32 0.01 0.55 -1.25 0.02 0.00 0.00 175.26 174.90 1s56 s PRO 12 N -4.07 3.91 -0.09 0.39 0.04 -1.26 -4.61 135.00 129.32 1s56 s PRO 12 Ca 0.47 0.41 -0.29 0.00 0.04 0.00 0.00 61.00 61.62 1s56 s PRO 12 Cb -0.10 -2.81 -0.06 0.00 0.04 0.00 0.00 34.50 31.57 1s56 s PRO 12 CO 0.35 0.41 1.76 -1.50 0.04 0.00 0.00 177.00 178.07 1s56 s ILE 13 N -1.61 3.44 0.83 0.56 2.07 -1.26 -5.00 121.20 120.22 1s56 s ILE 13 Ca 0.42 0.51 -0.12 0.00 -1.41 0.00 0.00 60.65 60.05 1s56 s ILE 13 Cb -0.13 -3.38 0.11 0.00 0.13 0.00 0.00 42.46 39.19 1s56 s ILE 13 CO 0.20 -0.10 1.19 -0.94 -1.91 0.00 0.00 174.94 173.38 1s56 s SER 14 N 4.22 4.17 0.08 4.50 1.04 -1.26 -4.89 113.70 121.56 1s56 s SER 14 Ca 0.79 0.57 -0.25 0.00 0.48 0.00 0.00 55.95 57.54 1s56 s SER 14 Cb -0.33 -0.96 -0.16 0.00 0.10 0.00 0.00 66.02 64.66 1s56 s SER 14 CO 0.33 -2.09 1.68 0.40 0.98 0.00 0.00 173.24 174.54 1s56 h ILE 15 N -1.14 0.93 -0.32 -1.02 2.04 -1.79 -1.08 117.51 115.12 1s56 h ILE 15 Ca -0.45 -0.10 0.03 0.00 1.00 0.00 0.00 64.86 65.34 1s56 h ILE 15 Cb 1.30 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 38.34 1s56 h ILE 15 CO 0.57 0.02 -0.19 0.00 0.00 0.00 0.00 178.15 178.55 1s56 n TYR 16 N -5.13 -0.14 -0.15 1.37 9.36 -0.75 -0.04 117.16 121.67 1s56 n TYR 16 Ca -0.08 0.41 -0.04 0.00 3.32 0.00 0.00 57.90 61.50 1s56 n TYR 16 Cb 0.10 -0.44 0.05 0.00 -0.63 0.00 0.00 39.34 38.41 1s56 n TYR 16 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 1s56 h ASP 17 N 0.00 0.29 -0.71 2.98 3.32 -1.64 -1.99 116.42 118.68 1s56 h ASP 17 Ca 0.05 0.04 0.14 0.00 0.02 0.00 0.00 57.03 57.28 1s56 h ASP 17 Cb 0.13 -0.01 -0.10 0.00 0.22 0.00 0.00 39.33 39.57 1s56 h ASP 17 CO -0.30 0.21 0.22 0.11 -1.72 0.00 0.00 179.24 177.75 1s56 h LYS 18 N 0.43 0.33 -0.02 3.56 1.57 0.78 -2.94 116.57 120.28 1s56 h LYS 18 Ca 0.21 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1s56 h LYS 18 Cb 0.15 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1s56 h LYS 18 CO -0.17 0.22 -0.09 0.44 -0.57 0.00 0.00 179.45 179.27 1s56 n ILE 19 N -5.08 0.00 0.00 1.86 -5.35 -0.53 -4.89 119.36 105.37 1s56 n ILE 19 Ca 0.13 -0.32 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 1s56 n ILE 19 Cb 0.41 0.92 0.00 0.00 -1.74 0.00 0.00 39.64 39.23 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 1.29 0.80 4.79 3.28 0.00 -1.11 -4.72 105.19 109.52 1s56 n GLY 20 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 -1.02 0.18 -0.02 0.00 -0.80 -3.91 105.19 99.63 1s56 n GLY 21 Ca 0.00 -1.44 -0.00 0.00 0.00 0.00 0.00 46.02 44.57 1s56 n GLY 21 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1s56 h HIS 22 N 0.00 0.12 -0.27 1.61 2.07 -1.97 -2.82 115.15 113.90 1s56 h HIS 22 Ca 0.00 -0.03 -0.09 0.00 -2.85 0.00 0.00 60.37 57.40 1s56 h HIS 22 Cb 0.00 -0.03 -0.01 0.00 2.57 0.00 0.00 27.41 29.95 1s56 h HIS 22 CO 0.00 0.52 -0.17 0.93 -3.07 0.00 0.00 177.93 176.14 1s56 h GLU 23 N 0.09 0.60 -0.32 5.12 5.08 -1.99 -0.38 114.58 122.78 1s56 h GLU 23 Ca 0.01 -0.28 -0.06 0.00 -1.00 0.00 0.00 59.36 58.03 1s56 h GLU 23 Cb 0.80 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 1s56 h GLU 23 CO 0.06 0.86 -0.04 0.00 -1.00 0.00 0.00 179.01 178.89 1s56 h ALA 24 N 0.72 1.34 -0.20 3.43 0.00 -1.65 -2.16 119.26 120.75 1s56 h ALA 24 Ca 0.06 -0.22 -0.18 0.00 0.00 0.00 0.00 54.91 54.57 1s56 h ALA 24 Cb 0.70 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1s56 h ALA 24 CO 0.05 0.45 -0.61 0.82 0.00 0.00 0.00 179.25 179.96 1s56 h ILE 25 N 0.48 1.31 -0.51 0.00 2.04 -1.23 -1.59 117.51 118.01 1s56 h ILE 25 Ca 0.10 -1.85 -0.05 0.00 1.00 0.00 0.00 64.86 64.06 1s56 h ILE 25 Cb 0.37 1.80 -0.02 0.00 -0.74 0.00 0.00 36.82 38.23 1s56 h ILE 25 CO 0.02 0.58 0.11 -0.33 0.00 0.00 0.00 178.15 178.53 1s56 h GLU 26 N 0.50 0.78 -0.15 2.37 5.08 -0.76 0.09 114.58 122.49 1s56 h GLU 26 Ca -0.00 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.11 1s56 h GLU 26 Cb 1.19 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 1s56 h GLU 26 CO 0.12 0.71 -0.23 0.28 -1.00 0.00 0.00 179.01 178.90 1s56 h VAL 27 N 0.75 1.36 -0.40 3.13 2.07 -1.25 -2.47 116.25 119.44 1s56 h VAL 27 Ca 0.17 -1.46 -0.08 0.00 0.82 0.00 0.00 66.70 66.14 1s56 h VAL 27 Cb 0.30 1.95 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 1s56 h VAL 27 CO -0.00 0.43 -0.08 0.58 0.02 0.00 0.00 177.57 178.53 1s56 h VAL 28 N 0.03 1.27 -0.23 2.57 2.07 -1.08 -2.14 116.25 118.76 1s56 h VAL 28 Ca 0.01 -1.15 -0.09 0.00 0.82 0.00 0.00 66.70 66.29 1s56 h VAL 28 Cb 0.80 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.76 1s56 h VAL 28 CO 0.05 0.39 -0.26 0.58 0.02 0.00 0.00 177.57 178.35 1s56 h VAL 29 N 0.57 1.26 -0.81 2.57 2.07 -1.05 0.17 116.25 121.04 1s56 h VAL 29 Ca 0.10 -1.25 -0.04 0.00 0.82 0.00 0.00 66.70 66.33 1s56 h VAL 29 Cb 0.59 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.70 1s56 h VAL 29 CO 0.04 0.39 0.37 -0.08 0.02 0.00 0.00 177.57 178.31 1s56 h GLU 30 N 0.38 1.18 -0.02 1.57 4.57 -1.22 -2.33 114.58 118.71 1s56 h GLU 30 Ca 0.06 -0.19 -0.02 0.00 -1.18 0.00 0.00 59.36 58.03 1s56 h GLU 30 Cb 0.66 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 29.04 1s56 h GLU 30 CO 0.05 0.93 -0.08 0.22 -1.18 0.00 0.00 179.01 178.95 1s56 h ASP 31 N 1.16 0.10 -1.12 1.04 3.58 -0.71 -3.19 116.42 117.28 1s56 h ASP 31 Ca 0.28 -0.65 0.31 0.00 0.42 0.00 0.00 57.03 57.39 1s56 h ASP 31 Cb 0.15 -0.03 -0.10 0.00 1.72 0.00 0.00 39.33 41.08 1s56 h ASP 31 CO -0.03 0.73 0.73 0.15 -2.88 0.00 0.00 179.24 177.94 1s56 h PHE 32 N -0.53 0.56 0.00 0.28 3.57 -0.62 0.69 116.94 120.89 1s56 h PHE 32 Ca -0.00 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 1s56 h PHE 32 Cb 0.72 -0.16 -0.00 0.00 2.79 0.00 0.00 35.95 39.31 1s56 h PHE 32 CO 0.15 -0.01 -0.41 1.88 -2.23 0.00 0.00 178.31 177.69 1s56 h TYR 33 N 0.28 0.00 -0.77 0.41 0.05 -1.43 -2.17 116.97 113.34 1s56 h TYR 33 Ca 0.64 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 59.40 1s56 h TYR 33 Cb 1.83 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 39.54 1s56 h TYR 33 CO -0.00 0.09 0.39 0.28 -1.05 0.00 0.00 178.16 177.87 1s56 h VAL 34 N 0.00 1.24 -0.05 -2.88 2.07 -0.86 -1.68 116.25 114.09 1s56 h VAL 34 Ca -0.01 -0.66 -0.22 0.00 0.82 0.00 0.00 66.70 66.63 1s56 h VAL 34 Cb 1.08 0.25 0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1s56 h VAL 34 CO 0.01 0.28 -0.88 0.03 0.02 0.00 0.00 177.57 177.04 1s56 h ARG 35 N 1.09 0.54 -0.14 1.57 3.08 -1.12 -2.88 114.38 116.52 1s56 h ARG 35 Ca 0.27 -0.51 -0.10 0.00 0.07 0.00 0.00 59.98 59.70 1s56 h ARG 35 Cb 0.09 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.28 1s56 h ARG 35 CO -0.04 1.14 -0.32 0.28 -1.07 0.00 0.00 179.97 179.97 1s56 h VAL 36 N 0.33 1.37 0.00 2.04 2.07 -1.42 -3.00 116.25 117.64 1s56 h VAL 36 Ca -0.07 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 65.85 1s56 h VAL 36 Cb 1.50 2.04 0.00 0.00 -1.52 0.00 0.00 31.29 33.31 1s56 h VAL 36 CO 0.16 0.48 0.00 0.18 0.02 0.00 0.00 177.57 178.41 1s56 n LEU 37 N -4.38 0.46 -0.00 2.57 4.77 -0.63 -1.07 117.00 118.71 1s56 n LEU 37 Ca -0.07 0.64 0.10 0.00 -0.03 0.00 0.00 56.01 56.65 1s56 n LEU 37 Cb 0.49 -0.60 -0.13 0.00 -2.33 0.00 0.00 43.42 40.84 1s56 n LEU 37 CO 0.43 -0.57 -0.37 0.00 -1.33 0.00 0.00 177.39 175.55 1s56 n ALA 38 N -1.70 3.74 -2.18 -1.18 0.00 -1.09 -4.72 120.51 113.38 1s56 n ALA 38 Ca 0.02 -0.53 -0.42 0.00 0.00 0.00 0.00 53.44 52.51 1s56 n ALA 38 Cb 0.16 -0.71 -0.03 0.00 0.00 0.00 0.00 19.45 18.87 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 -3.57 5.97 0.41 0.00 -1.08 -0.23 -4.86 116.67 113.30 1s56 s ASP 39 Ca 0.00 0.83 0.21 0.00 -0.52 0.00 0.00 52.55 53.07 1s56 s ASP 39 Cb 0.14 -2.53 1.12 0.00 -1.46 0.00 0.00 42.92 40.18 1s56 s ASP 39 CO 0.83 -1.73 1.58 0.44 0.52 0.00 0.00 175.17 176.81 1s56 h ASP 40 N 12.25 0.00 0.10 -0.34 3.45 -1.90 0.16 116.42 130.14 1s56 h ASP 40 Ca -0.29 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.17 1s56 h ASP 40 Cb 1.14 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.91 1s56 h ASP 40 CO 1.10 0.00 -0.18 0.00 -1.57 0.00 0.00 179.24 178.59 1s56 n GLN 41 N -2.33 1.30 0.00 3.56 6.02 -1.26 -4.49 117.38 120.18 1s56 n GLN 41 Ca -0.01 -0.85 0.00 0.00 -0.01 0.00 0.00 57.00 56.13 1s56 n GLN 41 Cb 0.24 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.01 1s56 n GLN 41 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 1s56 n LEU 42 N -0.11 0.26 -0.24 1.08 4.77 0.47 -4.91 117.00 118.32 1s56 n LEU 42 Ca 0.14 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.27 1s56 n LEU 42 Cb 0.39 0.00 0.44 0.00 -2.33 0.00 0.00 43.42 41.92 1s56 n LEU 42 CO 0.22 0.04 1.22 0.77 -1.33 0.00 0.00 177.39 178.31 1s56 h SER 43 N 0.00 0.53 0.95 -1.43 4.64 -1.42 -2.26 113.55 114.55 1s56 h SER 43 Ca 0.00 0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 1s56 h SER 43 Cb 0.46 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 1s56 h SER 43 CO 0.00 0.25 0.00 0.00 -0.87 0.00 0.00 176.83 176.21 1s56 h ALA 44 N 1.62 1.00 0.00 5.18 0.00 -1.88 -1.05 119.26 124.12 1s56 h ALA 44 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1s56 h ALA 44 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1s56 h ALA 44 CO -0.18 0.00 0.00 0.74 0.00 0.00 0.00 179.25 179.81 1s56 h PHE 45 N 0.00 0.00 -0.33 0.00 0.04 -1.79 -2.88 116.94 111.97 1s56 h PHE 45 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1s56 h PHE 45 Cb 0.47 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.62 1s56 h PHE 45 CO 0.00 0.00 0.00 1.19 -0.60 0.00 0.00 178.31 178.90 1s56 n PHE 46 N -2.93 0.44 -1.81 -0.55 3.72 -0.40 -4.92 117.46 111.02 1s56 n PHE 46 Ca -0.01 -0.40 -0.43 0.00 -0.05 0.00 0.00 57.45 56.57 1s56 n PHE 46 Cb 0.20 -0.02 -0.03 0.00 -0.94 0.00 0.00 39.48 38.69 1s56 n PHE 46 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1s56 s SER 47 N -1.02 5.94 0.00 4.37 0.15 -1.09 -1.13 113.70 120.92 1s56 s SER 47 Ca 0.25 1.87 0.00 0.00 0.70 0.00 0.00 55.95 58.77 1s56 s SER 47 Cb 0.14 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.92 1s56 s SER 47 CO 0.18 -1.58 0.00 0.61 1.20 0.00 0.00 173.24 173.66 1s56 n GLY 48 N 5.20 0.62 3.81 9.45 0.00 -1.26 -5.05 105.19 117.98 1s56 n GLY 48 Ca 0.24 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.00 4.48 -0.88 2.61 2.01 -0.29 -5.00 115.64 116.56 1s56 s THR 49 Ca 0.00 1.37 -0.25 0.00 0.31 0.00 0.00 61.69 63.13 1s56 s THR 49 Cb 0.00 -3.80 0.04 0.00 0.01 0.00 0.00 72.50 68.75 1s56 s THR 49 CO 0.00 0.02 1.37 0.21 -0.69 0.00 0.00 174.62 175.53 1s56 s ASN 50 N -1.87 6.34 0.07 3.53 3.84 -1.26 -4.86 114.94 120.73 1s56 s ASN 50 Ca 0.50 -0.98 -0.21 0.00 0.21 0.00 0.00 52.86 52.39 1s56 s ASN 50 Cb -0.14 -2.56 -0.11 0.00 -0.55 0.00 0.00 41.25 37.88 1s56 s ASN 50 CO 0.20 -1.66 1.51 0.24 -2.79 0.00 0.00 177.10 174.60 1s56 h MET 51 N 9.90 0.29 -0.03 0.43 2.86 -1.94 -1.74 114.93 124.70 1s56 h MET 51 Ca -0.03 -0.08 0.00 0.00 -2.06 0.00 0.00 59.70 57.53 1s56 h MET 51 Cb 1.03 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.66 1s56 h MET 51 CO 1.36 0.48 -0.03 1.03 1.06 0.00 0.00 176.91 180.81 1s56 h SER 52 N 0.05 -0.09 -0.28 1.22 0.87 -1.99 0.39 113.55 113.71 1s56 h SER 52 Ca 0.05 0.01 0.07 0.00 -1.23 0.00 0.00 61.79 60.69 1s56 h SER 52 Cb 0.34 0.04 -0.08 0.00 -0.44 0.00 0.00 62.40 62.27 1s56 h SER 52 CO 0.01 -0.01 -0.27 -0.09 -0.53 0.00 0.00 176.83 175.93 1s56 h ARG 53 N -0.01 -0.25 -0.96 2.24 2.43 -1.97 0.22 114.38 116.08 1s56 h ARG 53 Ca 0.01 0.02 0.21 0.00 -0.81 0.00 0.00 59.98 59.41 1s56 h ARG 53 Cb 0.02 0.06 -0.08 0.00 -0.42 0.00 0.00 29.97 29.55 1s56 h ARG 53 CO -0.04 -0.17 0.62 1.25 -1.51 0.00 0.00 179.97 180.13 1s56 h LEU 54 N -0.26 0.50 0.61 3.80 5.85 -0.85 -1.63 115.31 123.33 1s56 h LEU 54 Ca 0.15 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.90 1s56 h LEU 54 Cb 0.49 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.50 1s56 h LEU 54 CO -0.43 0.18 -0.29 0.11 -0.34 0.00 0.00 178.44 177.66 1s56 h LYS 55 N 0.49 -0.79 -0.09 1.25 1.57 0.31 -0.23 116.57 119.08 1s56 h LYS 55 Ca 0.52 0.05 0.03 0.00 -1.87 0.00 0.00 60.65 59.38 1s56 h LYS 55 Cb 1.19 0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.67 1s56 h LYS 55 CO -0.25 -0.51 0.18 0.78 -0.57 0.00 0.00 179.45 179.08 1s56 h GLY 56 N -0.86 0.00 1.07 3.86 0.00 -0.88 -1.07 103.07 105.20 1s56 h GLY 56 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.91 1s56 h GLY 56 CO 0.14 0.00 -1.58 0.50 0.00 0.00 0.00 176.54 175.60 1s56 h LYS 57 N 0.00 0.47 -0.49 4.80 1.79 -0.90 -2.28 116.57 119.96 1s56 h LYS 57 Ca 0.04 -0.80 -0.06 0.00 -2.18 0.00 0.00 60.65 57.66 1s56 h LYS 57 Cb 0.40 0.30 -0.02 0.00 -1.58 0.00 0.00 32.23 31.33 1s56 h LYS 57 CO -0.00 1.38 0.07 0.37 -1.08 0.00 0.00 179.45 180.20 1s56 h GLN 58 N 0.10 0.76 0.45 3.15 5.75 -0.40 -0.37 115.11 124.55 1s56 h GLN 58 Ca -0.29 -0.17 -0.02 0.00 -0.15 0.00 0.00 58.65 58.01 1s56 h GLN 58 Cb 2.12 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 30.56 1s56 h GLN 58 CO 0.23 0.72 -0.22 0.28 -2.65 0.00 0.00 178.83 177.19 1s56 h VAL 59 N 0.73 0.45 -0.83 2.39 2.07 -1.28 0.16 116.25 119.94 1s56 h VAL 59 Ca 0.16 -0.46 0.21 0.00 0.82 0.00 0.00 66.70 67.42 1s56 h VAL 59 Cb 0.34 0.63 -0.14 0.00 -1.52 0.00 0.00 31.29 30.61 1s56 h VAL 59 CO 0.01 0.07 0.17 -0.33 0.02 0.00 0.00 177.57 177.50 1s56 h GLU 60 N -0.91 0.18 0.21 1.57 5.08 -1.41 0.22 114.58 119.51 1s56 h GLU 60 Ca -0.06 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1s56 h GLU 60 Cb 0.57 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.78 1s56 h GLU 60 CO 0.10 0.12 -0.10 0.35 -1.00 0.00 0.00 179.01 178.48 1s56 h PHE 61 N 0.19 -0.26 -0.23 4.33 3.57 -0.87 -0.99 116.94 122.68 1s56 h PHE 61 Ca 0.50 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 62.03 1s56 h PHE 61 Cb 0.96 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.75 1s56 h PHE 61 CO -0.31 0.11 0.02 0.74 -2.23 0.00 0.00 178.31 176.64 1s56 h PHE 62 N -0.68 0.03 -0.94 0.41 0.05 -0.23 0.14 116.94 115.73 1s56 h PHE 62 Ca -0.03 0.02 0.05 0.00 3.82 0.00 0.00 57.97 61.83 1s56 h PHE 62 Cb 0.48 0.02 -0.06 0.00 2.00 0.00 0.00 35.95 38.39 1s56 h PHE 62 CO 0.04 -0.01 0.60 0.00 -0.18 0.00 0.00 178.31 178.77 1s56 h ALA 63 N 1.18 1.27 -0.07 2.45 0.00 -0.61 0.29 119.26 123.77 1s56 h ALA 63 Ca 0.11 -0.03 -0.19 0.00 0.00 0.00 0.00 54.91 54.80 1s56 h ALA 63 Cb 0.12 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 1s56 h ALA 63 CO -0.16 0.42 -0.76 0.00 0.00 0.00 0.00 179.25 178.75 1s56 h ALA 64 N 1.41 0.55 0.00 0.00 0.00 -0.50 0.31 119.26 121.02 1s56 h ALA 64 Ca 0.39 -0.62 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1s56 h ALA 64 Cb 0.09 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1s56 h ALA 64 CO -0.15 0.77 -0.10 0.00 0.00 0.00 0.00 179.25 179.76 1s56 h ALA 65 N 0.89 1.15 -0.22 0.00 0.00 -0.12 -3.04 119.26 117.92 1s56 h ALA 65 Ca -0.04 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1s56 h ALA 65 Cb 1.35 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1s56 h ALA 65 CO 0.13 0.13 0.00 1.28 0.00 0.00 0.00 179.25 180.79 1s56 n LEU 66 N -3.44 3.09 0.00 0.00 4.77 0.03 -4.92 117.00 116.53 1s56 n LEU 66 Ca -0.01 -1.20 0.00 0.00 -0.03 0.00 0.00 56.01 54.76 1s56 n LEU 66 Cb 0.26 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1s56 n LEU 66 CO 0.29 0.60 0.00 0.61 -1.33 0.00 0.00 177.39 177.56 1s56 n GLY 67 N 1.41 0.66 3.40 -0.72 0.00 -1.09 -1.81 105.19 107.04 1s56 n GLY 67 Ca 0.17 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1s56 n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1s56 n GLY 68 N -1.46 -2.04 0.10 -0.02 0.00 0.10 -4.89 105.19 96.99 1s56 n GLY 68 Ca 0.00 -0.53 0.12 0.00 0.00 0.00 0.00 46.02 45.62 1s56 n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1s56 h PRO 69 N -0.79 0.00 -5.89 1.61 0.13 -1.96 -3.44 132.00 121.66 1s56 h PRO 69 Ca -0.44 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.07 1s56 h PRO 69 Cb 1.33 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.40 1s56 h PRO 69 CO 0.38 0.00 -0.26 -1.21 -0.23 0.00 0.00 178.00 176.68 1s56 s GLU 70 N -3.15 3.86 0.65 0.86 0.41 -1.26 -5.09 118.70 114.99 1s56 s GLU 70 Ca 0.08 0.28 -0.14 0.00 -0.41 0.00 0.00 54.97 54.79 1s56 s GLU 70 Cb 0.12 -3.24 -0.01 0.00 -1.78 0.00 0.00 34.13 29.22 1s56 s GLU 70 CO 0.66 0.66 1.07 -1.25 -0.49 0.00 0.00 175.26 175.91 1s56 s PRO 71 N -0.89 3.00 0.01 0.39 0.04 -1.26 -4.48 135.00 131.80 1s56 s PRO 71 Ca 0.22 1.17 -0.30 0.00 0.04 0.00 0.00 61.00 62.12 1s56 s PRO 71 Cb -0.15 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 1s56 s PRO 71 CO 0.11 -1.07 1.18 -0.47 0.04 0.00 0.00 177.00 176.79 1s56 s TYR 72 N -2.64 3.34 -1.07 0.56 5.04 -1.26 -4.94 117.35 116.39 1s56 s TYR 72 Ca 0.62 1.29 0.12 0.00 -2.44 0.00 0.00 57.07 56.66 1s56 s TYR 72 Cb -0.16 -3.40 0.30 0.00 0.35 0.00 0.00 41.96 39.05 1s56 s TYR 72 CO 0.45 -1.20 1.22 0.25 -1.34 0.00 0.00 175.55 174.93 1s56 n THR 73 N 4.22 0.86 -0.69 4.34 -2.24 -1.26 -5.03 114.28 114.48 1s56 n THR 73 Ca 0.10 -0.93 0.00 0.00 -2.27 0.00 0.00 64.05 60.94 1s56 n THR 73 Cb 0.47 0.60 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 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 0.60 -1.89 3.87 3.38 0.00 -1.26 -5.05 105.19 104.85 1s56 n GLY 74 Ca 0.12 -1.54 -0.31 0.00 0.00 0.00 0.00 46.02 44.29 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 -3.41 3.35 0.63 4.61 0.00 -1.26 -5.05 121.76 120.62 1s56 s ALA 75 Ca 0.00 -0.14 -0.16 0.00 0.00 0.00 0.00 51.96 51.66 1s56 s ALA 75 Cb 0.00 -2.70 -0.02 0.00 0.00 0.00 0.00 23.12 20.40 1s56 s ALA 75 CO 0.00 0.12 1.13 -2.14 0.00 0.00 0.00 175.76 174.87 1s56 s PRO 76 N -3.53 2.92 0.15 0.00 0.02 -1.26 -4.81 135.00 128.48 1s56 s PRO 76 Ca 0.52 1.51 -0.17 0.00 0.02 0.00 0.00 61.00 62.87 1s56 s PRO 76 Cb -0.10 -1.96 0.05 0.00 0.02 0.00 0.00 34.50 32.51 1s56 s PRO 76 CO 0.27 -1.18 1.71 0.52 -0.33 0.00 0.00 177.00 177.99 1s56 h MET 77 N 0.39 0.11 -0.28 5.54 2.86 -1.97 -1.99 114.93 119.60 1s56 h MET 77 Ca -0.48 -0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.13 1s56 h MET 77 Cb 1.26 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.88 1s56 h MET 77 CO 0.55 0.07 0.10 -0.22 1.06 0.00 0.00 176.91 178.47 1s56 h LYS 78 N 0.12 0.42 -0.20 1.72 3.64 -1.93 -2.16 116.57 118.18 1s56 h LYS 78 Ca 0.15 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1s56 h LYS 78 Cb 0.20 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1s56 h LYS 78 CO -0.24 0.46 0.12 0.37 -2.27 0.00 0.00 179.45 177.90 1s56 h GLN 79 N 0.29 0.26 -0.82 1.90 4.15 -1.86 0.44 115.11 119.47 1s56 h GLN 79 Ca 0.09 -0.02 0.10 0.00 0.77 0.00 0.00 58.65 59.59 1s56 h GLN 79 Cb 0.21 -0.06 -0.06 0.00 0.21 0.00 0.00 27.48 27.78 1s56 h GLN 79 CO -0.01 0.21 0.54 -0.24 -1.93 0.00 0.00 178.83 177.40 1s56 h VAL 80 N 0.24 0.95 -0.01 2.39 3.04 -1.17 -2.98 116.25 118.71 1s56 h VAL 80 Ca 0.07 -0.26 0.00 0.00 -1.01 0.00 0.00 66.70 65.50 1s56 h VAL 80 Cb 0.01 0.11 0.00 0.00 -2.01 0.00 0.00 31.29 29.40 1s56 h VAL 80 CO -0.01 0.14 -0.10 1.41 -1.01 0.00 0.00 177.57 178.00 1s56 n HIS 81 N -4.51 0.00 -1.72 3.17 8.25 -0.83 -4.99 115.22 114.58 1s56 n HIS 81 Ca 0.14 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.17 1s56 n HIS 81 Cb 0.33 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.41 1s56 n HIS 81 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1s56 n GLN 82 N 0.29 2.59 -1.39 -0.41 7.27 0.13 -2.81 117.38 123.05 1s56 n GLN 82 Ca 0.06 0.93 -0.07 0.00 0.07 0.00 0.00 57.00 57.98 1s56 n GLN 82 Cb 0.27 -2.71 -0.03 0.00 2.41 0.00 0.00 30.24 30.18 1s56 n GLN 82 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1s56 n GLY 83 N 2.78 0.78 0.45 1.69 0.00 -1.26 -4.91 105.19 104.72 1s56 n GLY 83 Ca 0.12 -0.69 0.07 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.58 1.52 -1.90 1.61 1.74 -1.12 -4.99 116.66 110.94 1s56 n ARG 84 Ca -0.08 -1.04 -0.13 0.00 -0.77 0.00 0.00 57.85 55.84 1s56 n ARG 84 Cb 0.30 -1.26 -0.03 0.00 -1.02 0.00 0.00 32.46 30.46 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 1.01 0.45 3.68 -0.13 0.00 -1.26 -4.95 105.19 103.99 1s56 n GLY 85 Ca 0.07 -0.37 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.58 3.88 0.43 -0.61 1.01 -1.26 -4.70 121.20 117.37 1s56 s ILE 86 Ca 0.00 1.20 0.03 0.00 0.00 0.00 0.00 60.65 61.88 1s56 s ILE 86 Cb 0.00 -3.77 0.00 0.00 0.01 0.00 0.00 42.46 38.70 1s56 s ILE 86 CO 0.00 -0.03 0.62 0.42 0.00 0.00 0.00 174.94 175.94 1s56 s THR 87 N 2.78 3.73 0.19 2.92 -4.23 -1.26 -1.49 115.64 118.28 1s56 s THR 87 Ca 0.62 -0.72 0.32 0.00 -1.18 0.00 0.00 61.69 60.74 1s56 s THR 87 Cb -0.29 -3.34 0.32 0.00 1.34 0.00 0.00 72.50 70.53 1s56 s THR 87 CO 0.24 -0.20 1.98 0.24 -0.54 0.00 0.00 174.62 176.34 1s56 h MET 88 N 0.52 0.00 -0.09 3.99 2.86 -1.55 -1.42 114.93 119.24 1s56 h MET 88 Ca -0.45 0.00 -0.17 0.00 -2.06 0.00 0.00 59.70 57.02 1s56 h MET 88 Cb 1.26 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.93 1s56 h MET 88 CO 0.54 0.00 -0.59 1.25 1.06 0.00 0.00 176.91 179.17 1s56 h HIS 89 N 0.00 0.78 -0.09 -0.22 -0.00 -1.69 -2.65 115.15 111.28 1s56 h HIS 89 Ca 0.00 -0.36 -0.04 0.00 -0.00 0.00 0.00 60.37 59.97 1s56 h HIS 89 Cb 0.00 -0.11 -0.00 0.00 -0.00 0.00 0.00 27.41 27.30 1s56 h HIS 89 CO 0.00 1.15 -0.11 0.45 -0.00 0.00 0.00 177.93 179.43 1s56 h HIS 90 N 0.18 0.27 -0.59 5.26 -0.00 -1.60 -2.41 115.15 116.26 1s56 h HIS 90 Ca -0.05 -0.09 0.11 0.00 -0.00 0.00 0.00 60.37 60.35 1s56 h HIS 90 Cb 1.25 -0.05 -0.11 0.00 -0.00 0.00 0.00 27.41 28.49 1s56 h HIS 90 CO 0.11 0.68 -0.25 0.35 -0.00 0.00 0.00 177.93 178.83 1s56 h PHE 91 N -0.21 -0.63 -0.33 2.45 3.57 -1.45 0.40 116.94 120.73 1s56 h PHE 91 Ca 0.01 0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.61 1s56 h PHE 91 Cb 0.64 0.37 -0.04 0.00 2.79 0.00 0.00 35.95 39.71 1s56 h PHE 91 CO 0.10 -0.33 0.11 0.77 -2.23 0.00 0.00 178.31 176.72 1s56 h SER 92 N -0.10 0.11 0.15 0.41 0.02 -1.40 0.31 113.55 113.05 1s56 h SER 92 Ca 0.26 0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.27 1s56 h SER 92 Cb 0.51 0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.05 1s56 h SER 92 CO -0.65 0.10 -0.29 -0.07 -1.14 0.00 0.00 176.83 174.78 1s56 h LEU 93 N 0.24 -0.82 -0.70 5.07 3.38 -0.79 0.14 115.31 121.83 1s56 h LEU 93 Ca 0.15 0.09 0.13 0.00 0.09 0.00 0.00 57.88 58.34 1s56 h LEU 93 Cb 0.13 0.31 -0.09 0.00 0.09 0.00 0.00 40.66 41.10 1s56 h LEU 93 CO -0.16 -0.39 0.25 0.58 0.09 0.00 0.00 178.44 178.82 1s56 h VAL 94 N -0.53 0.68 0.25 1.22 2.07 -0.27 0.16 116.25 119.83 1s56 h VAL 94 Ca 0.02 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.40 1s56 h VAL 94 Cb 0.54 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1s56 h VAL 94 CO -0.15 0.07 -0.21 0.00 0.02 0.00 0.00 177.57 177.30 1s56 h ALA 95 N 1.51 -0.96 -0.61 1.67 0.00 0.03 -1.31 119.26 119.59 1s56 h ALA 95 Ca 0.37 -0.09 0.17 0.00 0.00 0.00 0.00 54.91 55.36 1s56 h ALA 95 Cb 0.54 0.42 -0.11 0.00 0.00 0.00 0.00 17.79 18.63 1s56 h ALA 95 CO -0.38 -0.96 0.02 0.41 0.00 0.00 0.00 179.25 178.33 1s56 n GLY 96 N -1.25 -0.82 0.18 0.00 0.00 0.45 -0.29 105.19 103.46 1s56 n GLY 96 Ca -0.05 0.60 -0.17 0.00 0.00 0.00 0.00 46.02 46.39 1s56 n GLY 96 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1s56 h HIS 97 N 0.00 0.81 -0.17 1.61 3.86 -0.52 0.25 115.15 120.99 1s56 h HIS 97 Ca 0.37 -0.39 0.04 0.00 -1.16 0.00 0.00 60.37 59.23 1s56 h HIS 97 Cb 0.77 -0.11 -0.07 0.00 1.06 0.00 0.00 27.41 29.06 1s56 h HIS 97 CO -0.31 1.19 -0.51 1.25 0.86 0.00 0.00 177.93 180.41 1s56 h LEU 98 N 0.19 -1.64 -0.50 2.43 5.85 0.51 0.72 115.31 122.87 1s56 h LEU 98 Ca -0.06 0.20 0.10 0.00 0.84 0.00 0.00 57.88 58.96 1s56 h LEU 98 Cb 1.32 0.65 -0.10 0.00 0.37 0.00 0.00 40.66 42.90 1s56 h LEU 98 CO 0.13 -0.46 -0.17 0.00 -0.34 0.00 0.00 178.44 177.60 1s56 h ALA 99 N -0.15 0.26 -0.21 1.25 0.00 -0.81 0.28 119.26 119.88 1s56 h ALA 99 Ca 0.05 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1s56 h ALA 99 Cb 0.66 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1s56 h ALA 99 CO -0.45 -0.49 0.06 -0.44 0.00 0.00 0.00 179.25 177.94 1s56 h ASP 100 N -0.05 0.26 0.75 0.00 3.32 -0.68 -1.54 116.42 118.48 1s56 h ASP 100 Ca 0.24 -0.02 -0.23 0.00 0.02 0.00 0.00 57.03 57.04 1s56 h ASP 100 Cb 0.42 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1s56 h ASP 100 CO -0.54 0.26 -1.04 0.00 -1.72 0.00 0.00 179.24 176.19 1s56 h ALA 101 N 1.79 0.32 -0.18 3.45 0.00 0.19 -2.31 119.26 122.52 1s56 h ALA 101 Ca 0.07 -0.84 -0.20 0.00 0.00 0.00 0.00 54.91 53.94 1s56 h ALA 101 Cb 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1s56 h ALA 101 CO -0.01 1.05 -0.67 -0.07 0.00 0.00 0.00 179.25 179.56 1s56 h LEU 102 N 0.06 0.80 0.32 0.00 3.38 -0.80 -2.96 115.31 116.10 1s56 h LEU 102 Ca -0.06 -0.49 -0.01 0.00 0.09 0.00 0.00 57.88 57.41 1s56 h LEU 102 Cb 1.75 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 42.25 1s56 h LEU 102 CO 0.16 1.26 -0.33 0.74 0.09 0.00 0.00 178.44 180.35 1s56 h THR 103 N 0.50 0.00 0.00 0.22 2.02 -1.19 -1.11 112.91 113.36 1s56 h THR 103 Ca -0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.16 1s56 h THR 103 Cb 1.27 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.68 1s56 h THR 103 CO 0.13 0.00 0.25 0.00 0.37 0.00 0.00 175.52 176.28 1s56 n ALA 104 N -2.63 0.54 0.78 6.16 0.00 -0.88 -0.09 120.51 124.40 1s56 n ALA 104 Ca -0.08 0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.49 1s56 n ALA 104 Cb 0.30 -0.57 -0.02 0.00 0.00 0.00 0.00 19.45 19.16 1s56 n ALA 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1s56 n ALA 105 N -1.32 3.98 -0.03 0.00 0.00 -0.46 -4.96 120.51 117.71 1s56 n ALA 105 Ca -0.00 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1s56 n ALA 105 Cb 0.26 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.82 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 1.44 0.91 3.72 0.00 0.00 0.88 -5.06 105.19 107.08 1s56 n GLY 106 Ca 0.03 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.01 3.24 0.06 1.61 1.01 -0.97 -4.93 120.40 118.41 1s56 s VAL 107 Ca 0.00 0.92 -0.35 0.00 0.00 0.00 0.00 61.98 62.55 1s56 s VAL 107 Cb 0.00 -3.59 -0.14 0.00 0.00 0.00 0.00 36.38 32.65 1s56 s VAL 107 CO 0.00 0.09 1.60 -2.65 0.00 0.00 0.00 175.10 174.14 1s56 n PRO 108 N 3.64 1.86 -0.27 2.72 -0.02 -1.26 -4.65 135.00 137.01 1s56 n PRO 108 Ca 0.10 0.67 0.33 0.00 -2.02 0.00 0.00 63.50 62.59 1s56 n PRO 108 Cb 0.42 -2.42 0.74 0.00 -0.02 0.00 0.00 33.50 32.22 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 6.40 0.00 -0.19 2.55 4.64 -1.97 0.26 113.55 125.24 1s56 h SER 109 Ca -0.46 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.69 1s56 h SER 109 Cb 1.28 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.37 1s56 h SER 109 CO 0.88 0.00 -0.47 -0.33 -0.87 0.00 0.00 176.83 176.04 1s56 h GLU 110 N 0.00 0.76 -0.14 4.77 3.07 -1.99 -1.78 114.58 119.26 1s56 h GLU 110 Ca 0.52 -0.44 -0.17 0.00 -0.50 0.00 0.00 59.36 58.77 1s56 h GLU 110 Cb 2.07 0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 30.01 1s56 h GLU 110 CO -0.01 1.06 -0.62 1.15 -1.40 0.00 0.00 179.01 179.20 1s56 h THR 111 N 0.60 1.34 -0.36 1.13 2.02 -0.87 -1.62 112.91 115.15 1s56 h THR 111 Ca 0.03 -1.92 0.07 0.00 0.77 0.00 0.00 66.41 65.36 1s56 h THR 111 Cb 1.04 1.90 -0.06 0.00 -1.74 0.00 0.00 68.15 69.30 1s56 h THR 111 CO 0.10 0.59 -0.02 0.40 0.37 0.00 0.00 175.52 176.96 1s56 h ILE 112 N 0.37 0.71 -0.75 3.11 2.04 -1.26 -0.29 117.51 121.44 1s56 h ILE 112 Ca -0.01 -0.03 0.05 0.00 1.00 0.00 0.00 64.86 65.88 1s56 h ILE 112 Cb 1.17 0.63 -0.05 0.00 -0.74 0.00 0.00 36.82 37.83 1s56 h ILE 112 CO 0.11 0.01 0.49 0.74 0.00 0.00 0.00 178.15 179.51 1s56 h THR 113 N 0.08 1.06 -0.62 -0.27 2.02 -1.08 -1.09 112.91 113.01 1s56 h THR 113 Ca 0.18 -0.28 -0.05 0.00 0.77 0.00 0.00 66.41 67.02 1s56 h THR 113 Cb 0.25 0.15 -0.03 0.00 -1.74 0.00 0.00 68.15 66.79 1s56 h THR 113 CO -0.31 0.15 0.19 -0.08 0.37 0.00 0.00 175.52 175.84 1s56 h GLU 114 N 0.83 0.96 0.05 6.66 4.81 -0.24 -2.25 114.58 125.40 1s56 h GLU 114 Ca 0.31 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.33 1s56 h GLU 114 Cb 0.19 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1s56 h GLU 114 CO -0.10 0.85 -0.02 0.82 -0.73 0.00 0.00 179.01 179.83 1s56 h ILE 115 N 0.88 1.11 -0.23 2.32 2.04 -0.22 -2.68 117.51 120.73 1s56 h ILE 115 Ca 0.20 -0.51 0.07 0.00 1.00 0.00 0.00 64.86 65.61 1s56 h ILE 115 Cb 0.30 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 1s56 h ILE 115 CO -0.01 0.13 0.20 -0.07 0.00 0.00 0.00 178.15 178.40 1s56 h LEU 116 N -0.29 0.00 -0.50 1.44 3.38 -1.18 -1.57 115.31 116.58 1s56 h LEU 116 Ca -0.01 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 1s56 h LEU 116 Cb 0.26 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1s56 h LEU 116 CO 0.01 0.00 -0.08 1.23 0.09 0.00 0.00 178.44 179.69 1s56 h GLY 117 N 0.00 1.02 2.00 0.83 0.00 -1.06 -0.36 103.07 105.51 1s56 h GLY 117 Ca 0.11 -0.81 -0.16 0.00 0.00 0.00 0.00 47.33 46.47 1s56 h GLY 117 CO -0.00 0.74 -0.78 -0.39 0.00 0.00 0.00 176.54 176.11 1s56 h VAL 118 N 0.80 1.38 0.00 4.60 -1.51 -1.20 -3.32 116.25 117.01 1s56 h VAL 118 Ca 0.13 -2.85 -0.24 0.00 -1.23 0.00 0.00 66.70 62.51 1s56 h VAL 118 Cb 0.63 2.62 -0.04 0.00 -2.13 0.00 0.00 31.29 32.36 1s56 h VAL 118 CO 0.04 0.76 -1.59 -0.38 -1.23 0.00 0.00 177.57 175.18 1s56 n ILE 119 N -3.35 1.46 0.25 7.19 5.41 -0.83 -4.22 119.36 125.27 1s56 n ILE 119 Ca 0.01 -0.76 0.09 0.00 1.00 0.00 0.00 62.75 63.09 1s56 n ILE 119 Cb 0.83 -0.94 0.63 0.00 -0.71 0.00 0.00 39.64 39.45 1s56 n ILE 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1s56 h ALA 120 N 1.16 1.62 -0.07 -1.39 0.00 -1.15 -2.49 119.26 116.95 1s56 h ALA 120 Ca -0.24 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.53 1s56 h ALA 120 Cb 1.85 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.60 1s56 h ALA 120 CO 0.07 0.15 0.05 -0.35 0.00 0.00 0.00 179.25 179.17 1s56 n PRO 121 N -4.13 1.09 0.00 0.00 -0.05 -1.26 -3.12 135.00 127.53 1s56 n PRO 121 Ca -0.02 -0.21 0.00 0.00 -0.05 0.00 0.00 63.50 63.22 1s56 n PRO 121 Cb 0.20 -1.08 0.00 0.00 -0.05 0.00 0.00 33.50 32.57 1s56 n PRO 121 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 175.50 176.73 1s56 n LEU 122 N 0.64 0.38 0.00 1.53 4.77 -0.94 -4.53 117.00 118.86 1s56 n LEU 122 Ca 0.04 -0.49 0.04 0.00 -0.03 0.00 0.00 56.01 55.57 1s56 n LEU 122 Cb 0.56 0.00 0.19 0.00 -2.33 0.00 0.00 43.42 41.84 1s56 n LEU 122 CO 0.04 0.10 0.63 0.00 -1.33 0.00 0.00 177.39 176.83 1s56 n ALA 123 N -0.21 1.43 0.08 -1.18 0.00 -1.18 -0.96 120.51 118.49 1s56 n ALA 123 Ca 0.00 -0.03 -0.09 0.00 0.00 0.00 0.00 53.44 53.32 1s56 n ALA 123 Cb 0.07 -1.14 -0.03 0.00 0.00 0.00 0.00 19.45 18.34 1s56 n ALA 123 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1s56 h VAL 124 N 0.00 1.51 0.13 0.00 -1.51 -1.84 -1.74 116.25 112.81 1s56 h VAL 124 Ca 0.00 -2.73 -0.34 0.00 -1.23 0.00 0.00 66.70 62.41 1s56 h VAL 124 Cb 0.14 2.54 -0.01 0.00 -2.13 0.00 0.00 31.29 31.83 1s56 h VAL 124 CO 0.00 0.79 -1.77 0.44 -1.23 0.00 0.00 177.57 175.80 1s56 h ASP 125 N 0.10 0.43 1.19 4.19 3.45 -1.51 -3.39 116.42 120.88 1s56 h ASP 125 Ca -0.05 -0.90 -0.02 0.00 0.43 0.00 0.00 57.03 56.49 1s56 h ASP 125 Cb 1.57 -0.14 -0.00 0.00 -0.56 0.00 0.00 39.33 40.20 1s56 h ASP 125 CO 0.14 1.77 -0.11 0.58 -1.57 0.00 0.00 179.24 180.05 1s56 h VAL 126 N -0.07 0.25 -3.15 -1.35 2.07 -1.09 -3.35 116.25 109.56 1s56 h VAL 126 Ca -0.38 -0.93 -0.66 0.00 0.82 0.00 0.00 66.70 65.55 1s56 h VAL 126 Cb 1.94 1.75 -0.11 0.00 -1.52 0.00 0.00 31.29 33.35 1s56 h VAL 126 CO 0.08 0.11 -0.59 -0.89 0.02 0.00 0.00 177.57 176.31 1s56 s THR 127 N -3.53 4.62 -0.04 2.57 2.01 -0.65 -4.64 115.64 115.98 1s56 s THR 127 Ca 0.02 -0.39 -0.01 0.00 0.31 0.00 0.00 61.69 61.62 1s56 s THR 127 Cb 0.09 -3.08 -0.02 0.00 0.01 0.00 0.00 72.50 69.50 1s56 s THR 127 CO 0.61 0.40 -0.05 -1.20 -0.69 0.00 0.00 174.62 173.70 1s56 n SER 128 N 1.38 1.43 -4.96 3.53 7.64 -0.56 -4.89 113.62 117.20 1s56 n SER 128 Ca -0.14 0.03 -0.23 0.00 1.01 0.00 0.00 58.87 59.53 1s56 n SER 128 Cb 0.53 -0.10 -0.02 0.00 -1.01 0.00 0.00 64.21 63.60 1s56 n SER 128 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1s56 s GLY 129 N -4.85 1.43 0.02 0.23 0.00 -1.22 -5.03 107.32 97.90 1s56 s GLY 129 Ca -0.06 -1.14 -0.18 0.00 0.00 0.00 0.00 44.72 43.34 1s56 s GLY 129 CO 0.08 -1.15 1.05 0.83 0.00 0.00 0.00 173.10 173.91 1s56 h GLU 130 N 1.59 0.50 -7.05 2.90 4.39 -1.98 -3.31 114.58 111.63 1s56 h GLU 130 Ca -0.50 -0.67 -0.55 0.00 0.34 0.00 0.00 59.36 57.97 1s56 h GLU 130 Cb 1.21 0.22 0.14 0.00 -0.10 0.00 0.00 28.75 30.23 1s56 h GLU 130 CO 0.64 1.29 0.60 -1.13 -1.16 0.00 0.00 179.01 179.25 1s56 n SER 131 N -3.97 2.65 0.00 1.42 3.41 -1.26 -4.24 113.62 111.62 1s56 n SER 131 Ca -0.13 0.96 0.00 0.00 -0.26 0.00 0.00 58.87 59.44 1s56 n SER 131 Cb 0.88 -1.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.25 1s56 n SER 131 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1s56 n THR 132 N -1.13 0.31 -2.99 6.66 -1.04 -1.26 -2.32 114.28 112.51 1s56 n THR 132 Ca 0.11 -0.55 -0.43 0.00 -2.04 0.00 0.00 64.05 61.15 1s56 n THR 132 Cb 0.45 0.97 -0.06 0.00 -1.82 0.00 0.00 70.33 69.88 1s56 n THR 132 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 1s56 s THR 133 N -0.31 4.70 0.48 12.58 -4.23 -1.26 -4.39 115.64 123.21 1s56 s THR 133 Ca 0.00 0.48 -0.24 0.00 -1.18 0.00 0.00 61.69 60.74 1s56 s THR 133 Cb 0.00 -4.27 -0.07 0.00 1.34 0.00 0.00 72.50 69.50 1s56 s THR 133 CO 0.00 -0.62 1.42 0.00 -0.54 0.00 0.00 174.62 174.88 1s56 n ALA 134 N 6.56 1.96 -1.96 3.99 0.00 -1.26 -5.05 120.51 124.75 1s56 n ALA 134 Ca 0.02 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1s56 n ALA 134 Cb 0.48 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.54 1s56 n ALA 134 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1s56 n PRO 135 N -0.43 0.98 0.00 0.00 -0.04 -1.26 -5.26 135.00 129.00 1s56 n PRO 135 Ca 0.07 0.00 0.03 0.00 -0.04 0.00 0.00 63.50 63.56 1s56 n PRO 135 Cb 0.42 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.91 1s56 n PRO 135 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01