#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cmc s GLU 2 N 0.00 4.16 0.25 0.00 1.03 -1.26 -5.01 118.70 117.87 1cmc s GLU 2 Ca 0.00 0.24 -0.29 0.00 0.03 0.00 0.00 54.97 54.95 1cmc s GLU 2 Cb 0.00 -3.56 -0.15 0.00 -0.80 0.00 0.00 34.13 29.62 1cmc s GLU 2 CO 0.00 -0.11 1.05 1.87 -1.33 0.00 0.00 175.26 176.74 1cmc n TRP 3 N 4.69 1.25 0.91 4.83 -0.00 -1.26 -4.81 117.44 123.04 1cmc n TRP 3 Ca -0.07 0.70 0.11 0.00 -0.00 0.00 0.00 57.50 58.24 1cmc n TRP 3 Cb 0.51 -2.26 0.53 0.00 -0.00 0.00 0.00 31.31 30.09 1cmc n TRP 3 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 177.69 176.56 1cmc n SER 4 N 1.51 0.00 0.00 5.87 3.41 -1.26 -4.90 113.62 118.26 1cmc n SER 4 Ca 0.11 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 59.03 1cmc n SER 4 Cb 0.30 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 1cmc n SER 4 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1cmc n GLY 5 N 0.82 0.81 3.43 5.00 0.00 -1.26 -4.94 105.19 109.03 1cmc n GLY 5 Ca 0.08 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.65 1cmc n GLY 5 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1cmc s GLU 6 N -0.33 3.80 0.30 1.61 2.02 -1.26 -4.81 118.70 120.04 1cmc s GLU 6 Ca 0.00 -2.25 -0.29 0.00 0.02 0.00 0.00 54.97 52.45 1cmc s GLU 6 Cb 0.00 -4.86 -0.11 0.00 0.10 0.00 0.00 34.13 29.27 1cmc s GLU 6 CO 0.00 -1.65 1.44 -0.47 0.02 0.00 0.00 175.26 174.60 1cmc s TYR 7 N 1.62 2.89 -0.09 1.61 5.04 -1.26 -5.02 117.35 122.14 1cmc s TYR 7 Ca 0.33 1.12 0.03 0.00 -2.44 0.00 0.00 57.07 56.11 1cmc s TYR 7 Cb -0.05 -3.87 -0.01 0.00 0.35 0.00 0.00 41.96 38.37 1cmc s TYR 7 CO -0.06 -2.68 -0.18 0.42 -1.34 0.00 0.00 175.55 171.70 1cmc s ILE 8 N -0.53 2.65 0.16 3.14 1.01 -1.26 -4.80 121.20 121.56 1cmc s ILE 8 Ca 0.56 -0.84 -0.30 0.00 0.00 0.00 0.00 60.65 60.07 1cmc s ILE 8 Cb -0.43 -2.04 -0.08 0.00 0.01 0.00 0.00 42.46 39.92 1cmc s ILE 8 CO 0.51 0.56 1.21 -0.55 0.00 0.00 0.00 174.94 176.66 1cmc s SER 9 N -0.05 7.07 0.39 3.58 0.15 -1.26 -4.92 113.70 118.67 1cmc s SER 9 Ca -0.05 2.20 0.27 0.00 0.70 0.00 0.00 55.95 59.08 1cmc s SER 9 Cb -0.14 -2.60 0.94 0.00 -1.71 0.00 0.00 66.02 62.51 1cmc s SER 9 CO 0.04 -0.40 1.79 -0.65 1.20 0.00 0.00 173.24 175.23 1cmc h PRO 10 N 5.58 0.00 -6.03 5.44 0.11 -1.96 -3.46 132.00 131.68 1cmc h PRO 10 Ca -0.44 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 64.99 1cmc h PRO 10 Cb 1.21 0.00 -0.19 0.00 0.11 0.00 0.00 31.00 32.13 1cmc h PRO 10 CO 0.76 0.00 -0.69 0.71 -0.21 0.00 0.00 178.00 178.57 1cmc s TYR 11 N -3.37 2.95 0.11 0.65 2.02 -1.26 -4.72 117.35 113.73 1cmc s TYR 11 Ca 0.05 -0.03 -0.18 0.00 -0.37 0.00 0.00 57.07 56.55 1cmc s TYR 11 Cb 0.09 -1.74 -0.05 0.00 -0.40 0.00 0.00 41.96 39.86 1cmc s TYR 11 CO 0.54 0.28 1.62 0.00 -1.57 0.00 0.00 175.55 176.42 1cmc h ALA 12 N 5.43 0.40 -3.24 3.71 0.00 -1.88 -3.40 119.26 120.29 1cmc h ALA 12 Ca -0.46 -0.16 -0.69 0.00 0.00 0.00 0.00 54.91 53.60 1cmc h ALA 12 Cb 1.18 -0.12 -0.30 0.00 0.00 0.00 0.00 17.79 18.55 1cmc h ALA 12 CO 0.53 0.04 -0.63 -1.21 0.00 0.00 0.00 179.25 177.99 1cmc s GLU 13 N -5.38 2.55 -0.04 0.00 2.02 -1.26 -2.07 118.70 114.52 1cmc s GLU 13 Ca -0.13 -1.23 0.01 0.00 0.02 0.00 0.00 54.97 53.63 1cmc s GLU 13 Cb 0.09 -3.40 0.02 0.00 0.10 0.00 0.00 34.13 30.94 1cmc s GLU 13 CO 0.74 -0.67 -0.02 -3.38 0.02 0.00 0.00 175.26 171.95 1cmc s HIS 14 N 1.36 0.51 0.00 1.61 -3.43 -1.19 -4.99 115.29 109.15 1cmc s HIS 14 Ca -0.02 -0.09 0.00 0.00 -0.80 0.00 0.00 55.06 54.15 1cmc s HIS 14 Cb -0.20 -0.53 0.00 0.00 -1.43 0.00 0.00 32.58 30.42 1cmc s HIS 14 CO 0.02 -0.16 0.00 0.41 -2.00 0.00 0.00 174.74 173.00 1cmc n GLY 15 N 4.15 0.98 2.73 -1.38 0.00 -1.25 -1.04 105.19 109.38 1cmc n GLY 15 Ca -0.25 0.51 -0.08 0.00 0.00 0.00 0.00 46.02 46.21 1cmc n GLY 15 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1cmc n LYS 16 N 0.00 0.73 -4.54 1.61 4.81 -1.26 -5.03 118.16 114.48 1cmc n LYS 16 Ca 0.00 -1.60 -0.22 0.00 -0.87 0.00 0.00 58.31 55.62 1cmc n LYS 16 Cb 0.00 -1.11 -0.14 0.00 0.02 0.00 0.00 35.03 33.80 1cmc n LYS 16 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1cmc s LYS 17 N 0.46 1.12 -0.04 1.64 1.02 -0.20 -5.13 119.74 118.61 1cmc s LYS 17 Ca 0.28 -0.70 0.03 0.00 0.02 0.00 0.00 55.97 55.59 1cmc s LYS 17 Cb 0.25 -1.13 0.00 0.00 -0.52 0.00 0.00 37.83 36.43 1cmc s LYS 17 CO -0.17 0.29 -0.11 -1.12 -0.92 0.00 0.00 175.35 173.32 1cmc s SER 18 N -0.84 1.55 0.05 2.83 0.01 -1.26 -3.16 113.70 112.88 1cmc s SER 18 Ca 0.04 -0.25 0.08 0.00 1.31 0.00 0.00 55.95 57.13 1cmc s SER 18 Cb -0.07 -0.50 -0.03 0.00 0.21 0.00 0.00 66.02 65.63 1cmc s SER 18 CO 0.01 0.08 -0.19 -1.61 0.41 0.00 0.00 173.24 171.93 1cmc s GLU 19 N 0.28 2.00 0.43 12.44 2.02 -0.88 -5.09 118.70 129.91 1cmc s GLU 19 Ca -0.06 -1.02 -0.21 0.00 0.02 0.00 0.00 54.97 53.70 1cmc s GLU 19 Cb -0.11 -2.16 -0.11 0.00 0.10 0.00 0.00 34.13 31.85 1cmc s GLU 19 CO 0.01 0.53 0.96 -1.14 0.02 0.00 0.00 175.26 175.64 1cmc s GLN 20 N -1.54 4.20 0.25 1.61 0.74 -1.26 -4.81 119.66 118.85 1cmc s GLN 20 Ca 0.15 1.14 0.09 0.00 0.05 0.00 0.00 55.36 56.79 1cmc s GLN 20 Cb -0.10 -2.18 -0.05 0.00 1.10 0.00 0.00 33.01 31.77 1cmc s GLN 20 CO 0.06 -0.06 -0.14 0.14 -0.55 0.00 0.00 175.29 174.74 1cmc s VAL 21 N -2.15 1.97 0.02 1.34 -7.23 -1.26 -4.97 120.40 108.11 1cmc s VAL 21 Ca 0.62 -2.25 0.03 0.00 -1.81 0.00 0.00 61.98 58.57 1cmc s VAL 21 Cb -0.10 -2.22 -0.01 0.00 0.56 0.00 0.00 36.38 34.60 1cmc s VAL 21 CO 0.14 -0.46 -0.11 -0.75 -0.31 0.00 0.00 175.10 173.60 1cmc s LYS 22 N -3.62 0.78 0.05 4.82 2.20 -1.26 -5.15 119.74 117.56 1cmc s LYS 22 Ca 0.26 -0.55 -0.02 0.00 -0.36 0.00 0.00 55.97 55.30 1cmc s LYS 22 Cb -0.01 -0.74 -0.04 0.00 -1.51 0.00 0.00 37.83 35.52 1cmc s LYS 22 CO 0.11 0.19 0.24 0.15 -0.36 0.00 0.00 175.35 175.67 1cmc s LYS 23 N -0.75 3.48 0.08 4.03 1.02 -1.26 -5.11 119.74 121.24 1cmc s LYS 23 Ca 0.01 -0.31 0.02 0.00 0.02 0.00 0.00 55.97 55.70 1cmc s LYS 23 Cb -0.06 -3.03 -0.04 0.00 -0.52 0.00 0.00 37.83 34.18 1cmc s LYS 23 CO 0.00 0.61 -0.07 0.96 -0.92 0.00 0.00 175.35 175.94 1cmc s ILE 24 N -1.46 0.61 -0.19 2.17 -4.36 -1.26 -5.14 121.20 111.57 1cmc s ILE 24 Ca 0.33 -1.70 -0.06 0.00 -0.26 0.00 0.00 60.65 58.97 1cmc s ILE 24 Cb -0.13 -1.38 -0.03 0.00 1.25 0.00 0.00 42.46 42.17 1cmc s ILE 24 CO 0.24 -0.76 0.02 -0.89 0.24 0.00 0.00 174.94 173.80 1cmc s THR 25 N -3.06 4.33 0.05 8.37 2.01 -1.26 -5.10 115.64 120.98 1cmc s THR 25 Ca 0.06 -0.19 0.08 0.00 0.31 0.00 0.00 61.69 61.94 1cmc s THR 25 Cb 0.01 -2.95 -0.03 0.00 0.01 0.00 0.00 72.50 69.55 1cmc s THR 25 CO -0.04 0.45 -0.23 0.68 -0.69 0.00 0.00 174.62 174.79 1cmc s VAL 26 N 0.63 1.82 -0.32 3.82 -7.23 -1.26 -5.12 120.40 112.74 1cmc s VAL 26 Ca 0.01 -1.28 -0.11 0.00 -1.81 0.00 0.00 61.98 58.79 1cmc s VAL 26 Cb -0.14 -1.58 -0.01 0.00 0.56 0.00 0.00 36.38 35.21 1cmc s VAL 26 CO 0.02 0.24 0.20 -0.44 -0.31 0.00 0.00 175.10 174.81 1cmc s SER 27 N -1.24 5.83 -0.16 4.85 0.01 -1.26 -5.08 113.70 116.65 1cmc s SER 27 Ca 0.09 -0.45 0.02 0.00 1.31 0.00 0.00 55.95 56.92 1cmc s SER 27 Cb -0.09 -2.08 0.01 0.00 0.21 0.00 0.00 66.02 64.08 1cmc s SER 27 CO 0.02 -0.21 -0.21 -0.63 0.41 0.00 0.00 173.24 172.63 1cmc s ILE 28 N 1.68 2.08 0.42 1.44 1.01 -1.26 -5.11 121.20 121.45 1cmc s ILE 28 Ca 0.05 -0.95 -0.25 0.00 0.00 0.00 0.00 60.65 59.50 1cmc s ILE 28 Cb -0.17 -1.85 -0.10 0.00 0.01 0.00 0.00 42.46 40.35 1cmc s ILE 28 CO 0.09 0.54 1.14 -2.65 0.00 0.00 0.00 174.94 174.06 1cmc n PRO 29 N 4.34 1.63 0.09 2.79 -0.02 -1.26 -4.72 135.00 137.85 1cmc n PRO 29 Ca -0.20 0.58 0.10 0.00 -2.02 0.00 0.00 63.50 61.95 1cmc n PRO 29 Cb 0.51 -2.20 0.57 0.00 -0.02 0.00 0.00 33.50 32.35 1cmc n PRO 29 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1cmc h LEU 30 N 1.82 0.18 -0.71 2.45 3.38 -1.99 -0.87 115.31 119.58 1cmc h LEU 30 Ca -0.46 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.47 1cmc h LEU 30 Cb 1.32 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.99 1cmc h LEU 30 CO 0.58 0.12 0.29 0.11 0.09 0.00 0.00 178.44 179.64 1cmc h LYS 31 N 0.21 1.06 -0.25 1.13 1.57 -2.01 -0.75 116.57 117.54 1cmc h LYS 31 Ca 0.13 -0.19 -0.19 0.00 -1.87 0.00 0.00 60.65 58.53 1cmc h LYS 31 Cb 0.24 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.38 1cmc h LYS 31 CO -0.02 0.88 -0.58 0.28 -0.57 0.00 0.00 179.45 179.43 1cmc h VAL 32 N 1.02 1.28 -0.97 0.50 2.07 -1.62 -3.14 116.25 115.39 1cmc h VAL 32 Ca 0.24 -1.78 0.01 0.00 0.82 0.00 0.00 66.70 65.99 1cmc h VAL 32 Cb 0.21 1.71 -0.05 0.00 -1.52 0.00 0.00 31.29 31.63 1cmc h VAL 32 CO -0.02 0.57 0.64 0.25 0.02 0.00 0.00 177.57 179.04 1cmc h LEU 33 N 0.61 1.11 -0.43 2.57 5.85 -1.00 0.13 115.31 124.16 1cmc h LEU 33 Ca 0.00 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 1cmc h LEU 33 Cb 1.19 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.92 1cmc h LEU 33 CO 0.12 0.80 0.18 0.50 -0.34 0.00 0.00 178.44 179.71 1cmc h LYS 34 N 1.31 0.64 -0.53 1.25 1.63 -1.09 -0.10 116.57 119.68 1cmc h LYS 34 Ca 0.36 -0.11 -0.02 0.00 -0.85 0.00 0.00 60.65 60.03 1cmc h LYS 34 Cb -0.14 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.36 1cmc h LYS 34 CO -0.08 0.58 0.25 0.82 -3.45 0.00 0.00 179.45 177.57 1cmc h ILE 35 N 0.55 1.20 -0.35 2.00 2.04 -1.33 -1.41 117.51 120.20 1cmc h ILE 35 Ca 0.14 -0.56 0.03 0.00 1.00 0.00 0.00 64.86 65.48 1cmc h ILE 35 Cb 0.17 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 36.81 1cmc h ILE 35 CO -0.01 0.22 0.15 0.25 0.00 0.00 0.00 178.15 178.76 1cmc h LEU 36 N 0.71 0.20 -0.43 1.44 5.85 -0.77 -1.98 115.31 120.33 1cmc h LEU 36 Ca 0.18 0.03 -0.18 0.00 0.84 0.00 0.00 57.88 58.75 1cmc h LEU 36 Cb 0.12 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.13 1cmc h LEU 36 CO -0.02 0.16 -0.77 0.71 -0.34 0.00 0.00 178.44 178.18 1cmc h THR 37 N 0.32 1.45 -0.59 1.05 1.35 -0.82 -1.47 112.91 114.21 1cmc h THR 37 Ca 0.15 -2.36 -0.02 0.00 -0.55 0.00 0.00 66.41 63.63 1cmc h THR 37 Cb 0.09 2.28 -0.03 0.00 -1.73 0.00 0.00 68.15 68.76 1cmc h THR 37 CO -0.13 0.69 0.31 0.44 -0.25 0.00 0.00 175.52 176.58 1cmc h ASP 38 N 0.14 0.75 -0.14 5.36 3.32 -1.17 -0.21 116.42 124.47 1cmc h ASP 38 Ca -0.03 -0.11 -0.11 0.00 0.02 0.00 0.00 57.03 56.80 1cmc h ASP 38 Cb 1.34 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 40.69 1cmc h ASP 38 CO 0.12 0.65 -0.27 -0.08 -1.72 0.00 0.00 179.24 177.93 1cmc h GLU 39 N 0.80 0.60 -0.03 3.56 4.57 -1.13 0.31 114.58 123.26 1cmc h GLU 39 Ca 0.21 -0.25 -0.18 0.00 -1.18 0.00 0.00 59.36 57.96 1cmc h GLU 39 Cb 0.07 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 1cmc h GLU 39 CO -0.03 0.81 -0.77 -0.09 -1.18 0.00 0.00 179.01 177.75 1cmc h ARG 40 N 0.52 0.25 -0.05 1.92 2.43 -0.69 -2.06 114.38 116.71 1cmc h ARG 40 Ca 0.07 -0.23 -0.01 0.00 -0.81 0.00 0.00 59.98 59.00 1cmc h ARG 40 Cb 0.74 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.34 1cmc h ARG 40 CO 0.06 0.91 -0.01 1.15 -1.51 0.00 0.00 179.97 180.56 1cmc h THR 41 N 0.16 1.30 -0.68 0.20 2.02 -0.89 -0.54 112.91 114.48 1cmc h THR 41 Ca -0.03 -0.93 0.13 0.00 0.77 0.00 0.00 66.41 66.35 1cmc h THR 41 Cb 1.35 1.82 -0.09 0.00 -1.74 0.00 0.00 68.15 69.49 1cmc h THR 41 CO 0.12 0.25 0.20 -0.09 0.37 0.00 0.00 175.52 176.37 1cmc h ARG 42 N -0.25 0.32 -0.31 6.66 2.43 -0.23 0.11 114.38 123.10 1cmc h ARG 42 Ca 0.01 -0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1cmc h ARG 42 Cb 0.41 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.87 1cmc h ARG 42 CO 0.01 0.21 0.14 0.00 -1.51 0.00 0.00 179.97 178.82 1cmc h ARG 43 N 0.32 0.29 0.69 0.20 3.08 -1.07 -2.75 114.38 115.14 1cmc h ARG 43 Ca 0.37 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.37 1cmc h ARG 43 Cb 0.57 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 1cmc h ARG 43 CO -0.43 0.19 -0.42 1.96 -1.07 0.00 0.00 179.97 180.21 1cmc h GLN 44 N 0.30 -1.01 -0.31 0.04 4.20 0.50 -0.60 115.11 118.24 1cmc h GLN 44 Ca 0.13 0.07 0.05 0.00 0.06 0.00 0.00 58.65 58.96 1cmc h GLN 44 Cb 0.06 0.23 -0.02 0.00 0.30 0.00 0.00 27.48 28.06 1cmc h GLN 44 CO -0.10 -0.67 0.21 -0.39 -0.67 0.00 0.00 178.83 177.21 1cmc h VAL 45 N -1.05 0.94 -0.01 -0.54 -1.51 -0.88 -1.57 116.25 111.64 1cmc h VAL 45 Ca -0.09 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 65.32 1cmc h VAL 45 Cb 0.84 0.74 0.00 0.00 -2.13 0.00 0.00 31.29 30.74 1cmc h VAL 45 CO 0.09 0.03 -0.01 0.59 -1.23 0.00 0.00 177.57 177.05 1cmc n ASN 46 N -4.48 0.92 -2.42 4.19 3.02 -1.04 -4.96 115.26 110.49 1cmc n ASN 46 Ca 0.03 -1.26 -0.18 0.00 -0.03 0.00 0.00 54.58 53.14 1cmc n ASN 46 Cb 0.25 -0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.44 1cmc n ASN 46 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1cmc n ASN 47 N -0.31 -5.32 -4.91 6.41 5.15 -0.59 -4.99 115.26 110.70 1cmc n ASN 47 Ca 0.20 -0.19 -0.28 0.00 -0.60 0.00 0.00 54.58 53.71 1cmc n ASN 47 Cb 0.27 -4.22 -0.02 0.00 -0.53 0.00 0.00 39.78 35.27 1cmc n ASN 47 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1cmc s LEU 48 N -5.50 3.97 0.93 1.20 1.43 -0.26 -4.13 118.68 116.31 1cmc s LEU 48 Ca 0.20 0.76 -0.12 0.00 -1.03 0.00 0.00 54.13 53.94 1cmc s LEU 48 Cb -0.09 -3.61 0.15 0.00 0.03 0.00 0.00 46.19 42.67 1cmc s LEU 48 CO 0.24 -0.28 1.09 -0.13 0.23 0.00 0.00 176.35 177.50 1cmc s ARG 49 N -3.84 1.01 -1.47 1.70 0.52 -0.20 -4.18 118.95 112.48 1cmc s ARG 49 Ca 0.45 0.86 -0.11 0.00 -0.52 0.00 0.00 55.73 56.40 1cmc s ARG 49 Cb -0.10 -1.78 0.06 0.00 0.52 0.00 0.00 34.95 33.65 1cmc s ARG 49 CO 0.33 -2.42 1.00 0.72 0.02 0.00 0.00 175.30 174.94 1cmc n HIS 50 N -4.01 -2.38 -1.73 -0.53 8.25 -1.26 -4.90 115.22 108.65 1cmc n HIS 50 Ca 0.07 0.92 -0.40 0.00 -0.26 0.00 0.00 57.72 58.05 1cmc n HIS 50 Cb 0.55 -4.25 -0.01 0.00 1.12 0.00 0.00 29.99 27.40 1cmc n HIS 50 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1cmc n ALA 51 N -4.70 7.01 -2.41 -1.41 0.00 -1.26 -4.58 120.51 113.16 1cmc n ALA 51 Ca -0.00 -3.87 -0.11 0.00 0.00 0.00 0.00 53.44 49.45 1cmc n ALA 51 Cb 0.55 -3.04 -0.10 0.00 0.00 0.00 0.00 19.45 16.85 1cmc n ALA 51 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1cmc s THR 52 N 0.35 0.64 0.24 0.00 -4.23 -1.26 -4.87 115.64 106.51 1cmc s THR 52 Ca 0.59 -1.64 -0.05 0.00 -1.18 0.00 0.00 61.69 59.41 1cmc s THR 52 Cb 0.18 -1.32 0.15 0.00 1.34 0.00 0.00 72.50 72.85 1cmc s THR 52 CO -0.08 -0.71 1.79 0.78 -0.54 0.00 0.00 174.62 175.87 1cmc h ASN 53 N 3.49 0.96 -0.09 3.99 2.35 -1.93 -0.90 115.58 123.45 1cmc h ASN 53 Ca -0.35 -0.17 -0.00 0.00 -0.55 0.00 0.00 56.30 55.22 1cmc h ASN 53 Cb 1.18 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 39.29 1cmc h ASN 53 CO 0.56 0.90 0.05 0.28 -1.65 0.00 0.00 177.43 177.57 1cmc h SER 54 N 0.99 0.10 0.19 5.81 0.02 -1.96 0.12 113.55 118.82 1cmc h SER 54 Ca 0.22 -0.05 -0.14 0.00 -0.84 0.00 0.00 61.79 60.98 1cmc h SER 54 Cb 0.28 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.79 1cmc h SER 54 CO -0.01 0.12 -0.54 -0.33 -1.14 0.00 0.00 176.83 174.93 1cmc h GLU 55 N 0.08 0.38 0.08 3.45 5.08 -1.81 -1.33 114.58 120.51 1cmc h GLU 55 Ca 0.03 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1cmc h GLU 55 Cb 0.03 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 1cmc h GLU 55 CO -0.01 0.82 -0.08 -0.07 -1.00 0.00 0.00 179.01 178.68 1cmc h LEU 56 N 0.29 -0.21 -0.49 1.33 3.38 -0.97 -1.16 115.31 117.49 1cmc h LEU 56 Ca 0.01 0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.02 1cmc h LEU 56 Cb 1.04 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.84 1cmc h LEU 56 CO 0.09 -0.13 0.30 -0.07 0.09 0.00 0.00 178.44 178.72 1cmc h LEU 57 N -0.18 0.49 -0.58 1.67 3.38 -0.87 -1.17 115.31 118.05 1cmc h LEU 57 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1cmc h LEU 57 Cb 0.17 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1cmc h LEU 57 CO -0.02 0.35 0.11 0.00 0.09 0.00 0.00 178.44 178.96 1cmc h GLU 59 N 0.84 0.26 -0.50 0.00 5.08 -1.04 -2.19 114.58 117.03 1cmc h GLU 59 Ca 0.18 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.52 1cmc h GLU 59 Cb 0.39 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.57 1cmc h GLU 59 CO 0.01 0.40 0.27 0.00 -1.00 0.00 0.00 179.01 178.68 1cmc h ALA 60 N 0.85 0.64 -0.20 3.43 0.00 -1.13 -1.14 119.26 121.71 1cmc h ALA 60 Ca 0.05 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1cmc h ALA 60 Cb 0.26 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1cmc h ALA 60 CO 0.00 -0.07 0.13 0.35 0.00 0.00 0.00 179.25 179.66 1cmc h PHE 61 N 0.52 0.26 -0.68 0.00 3.57 -0.95 -1.55 116.94 118.11 1cmc h PHE 61 Ca 0.22 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 1cmc h PHE 61 Cb 0.11 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 1cmc h PHE 61 CO -0.09 0.18 0.33 -0.07 -2.23 0.00 0.00 178.31 176.42 1cmc h LEU 62 N 0.27 0.89 0.22 0.59 3.38 -1.20 -1.92 115.31 117.54 1cmc h LEU 62 Ca 0.07 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 1cmc h LEU 62 Cb -0.02 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.51 1cmc h LEU 62 CO -0.02 0.77 -0.10 -0.74 0.09 0.00 0.00 178.44 178.44 1cmc h HIS 63 N 0.94 -0.27 -0.74 1.13 2.76 -1.12 -1.92 115.15 115.93 1cmc h HIS 63 Ca 0.23 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.40 1cmc h HIS 63 Cb 0.11 0.09 -0.04 0.00 1.55 0.00 0.00 27.41 29.13 1cmc h HIS 63 CO 0.00 -0.12 0.47 0.00 -1.30 0.00 0.00 177.93 176.98 1cmc h ALA 64 N 0.42 0.94 -0.08 5.26 0.00 -1.12 0.54 119.26 125.23 1cmc h ALA 64 Ca -0.03 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1cmc h ALA 64 Cb 0.27 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1cmc h ALA 64 CO 0.05 0.39 -0.22 0.35 0.00 0.00 0.00 179.25 179.81 1cmc h PHE 65 N 1.01 0.37 0.00 0.00 3.57 -1.34 -3.37 116.94 117.18 1cmc h PHE 65 Ca 0.27 -0.15 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1cmc h PHE 65 Cb -0.07 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 38.61 1cmc h PHE 65 CO -0.01 0.84 -0.64 0.25 -2.23 0.00 0.00 178.31 176.51 1cmc n THR 66 N -4.52 0.00 -0.52 4.41 -2.24 -0.73 -5.02 114.28 105.67 1cmc n THR 66 Ca -0.08 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 1cmc n THR 66 Cb 0.44 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.48 1cmc n THR 66 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1cmc n GLY 67 N 1.42 0.86 3.69 3.38 0.00 0.19 -4.58 105.19 110.15 1cmc n GLY 67 Ca 0.01 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 1cmc n GLY 67 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1cmc n GLN 68 N -2.00 2.55 -1.80 1.61 7.27 -1.25 -4.71 117.38 119.05 1cmc n GLN 68 Ca 0.00 0.92 -0.39 0.00 0.07 0.00 0.00 57.00 57.61 1cmc n GLN 68 Cb 0.00 -2.76 0.03 0.00 2.41 0.00 0.00 30.24 29.92 1cmc n GLN 68 CO 0.00 0.00 0.00 -2.14 0.07 0.00 0.00 177.06 174.99 1cmc s PRO 69 N 1.86 3.29 0.53 3.69 0.02 -1.26 -3.93 135.00 139.21 1cmc s PRO 69 Ca 0.80 2.27 -0.15 0.00 0.02 0.00 0.00 61.00 63.94 1cmc s PRO 69 Cb -0.56 -2.36 -0.07 0.00 0.02 0.00 0.00 34.50 31.52 1cmc s PRO 69 CO 0.37 -1.08 0.98 -0.51 -0.33 0.00 0.00 177.00 176.43 1cmc s LEU 70 N -3.31 3.56 0.38 -5.54 1.43 -1.26 -4.92 118.68 109.02 1cmc s LEU 70 Ca 0.69 1.51 -0.25 0.00 -1.03 0.00 0.00 54.13 55.05 1cmc s LEU 70 Cb -0.41 -4.47 -0.09 0.00 0.03 0.00 0.00 46.19 41.25 1cmc s LEU 70 CO 0.50 -0.63 1.05 -2.16 0.23 0.00 0.00 176.35 175.34 1cmc s PRO 71 N -4.27 4.26 0.64 1.29 0.04 -1.26 -4.95 135.00 130.75 1cmc s PRO 71 Ca 0.58 1.55 -0.01 0.00 0.04 0.00 0.00 61.00 63.15 1cmc s PRO 71 Cb -0.10 -2.65 0.07 0.00 0.04 0.00 0.00 34.50 31.85 1cmc s PRO 71 CO 0.36 -0.06 0.90 0.16 0.04 0.00 0.00 177.00 178.39 1cmc s ASP 72 N -1.46 4.87 0.36 6.66 1.47 -1.26 -4.96 116.67 122.34 1cmc s ASP 72 Ca 0.55 -0.00 0.05 0.00 1.18 0.00 0.00 52.55 54.33 1cmc s ASP 72 Cb -0.23 -0.67 0.68 0.00 -0.34 0.00 0.00 42.92 42.36 1cmc s ASP 72 CO 0.29 -1.48 1.94 0.44 0.68 0.00 0.00 175.17 177.05 1cmc h ASP 73 N -0.28 0.50 0.34 2.11 5.19 -1.98 -2.03 116.42 120.26 1cmc h ASP 73 Ca -0.41 -0.06 -0.02 0.00 -0.62 0.00 0.00 57.03 55.92 1cmc h ASP 73 Cb 1.29 -0.13 -0.00 0.00 0.18 0.00 0.00 39.33 40.67 1cmc h ASP 73 CO 0.50 0.49 -0.09 0.00 -3.12 0.00 0.00 179.24 177.02 1cmc h ALA 74 N 1.58 1.28 -0.09 3.45 0.00 -1.99 -2.43 119.26 121.07 1cmc h ALA 74 Ca 0.13 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1cmc h ALA 74 Cb 0.18 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1cmc h ALA 74 CO -0.01 0.12 -0.32 -0.44 0.00 0.00 0.00 179.25 178.60 1cmc h ASP 75 N 0.00 0.17 0.05 0.00 3.32 -1.74 -3.10 116.42 115.12 1cmc h ASP 75 Ca -0.00 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1cmc h ASP 75 Cb 0.29 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1cmc h ASP 75 CO 0.01 0.48 -0.09 0.18 -1.72 0.00 0.00 179.24 178.10 1cmc n LEU 76 N -4.12 1.62 -4.72 1.55 4.77 -0.92 -4.71 117.00 110.47 1cmc n LEU 76 Ca -0.01 -0.52 -0.42 0.00 -0.03 0.00 0.00 56.01 55.02 1cmc n LEU 76 Cb 0.40 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.43 1cmc n LEU 76 CO 0.40 0.28 1.23 -0.13 -1.33 0.00 0.00 177.39 177.83 1cmc s ARG 77 N -2.15 4.22 0.55 3.23 1.81 -1.17 -1.03 118.95 124.40 1cmc s ARG 77 Ca 0.32 2.36 0.30 0.00 -1.72 0.00 0.00 55.73 56.99 1cmc s ARG 77 Cb 0.20 -3.15 1.57 0.00 -0.45 0.00 0.00 34.95 33.12 1cmc s ARG 77 CO 0.39 -0.60 2.10 0.87 -0.68 0.00 0.00 175.30 177.38 1cmc h LYS 78 N 6.75 0.00 0.00 3.54 1.57 -1.93 -1.72 116.57 124.78 1cmc h LYS 78 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1cmc h LYS 78 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1cmc h LYS 78 CO 0.91 0.09 0.00 0.93 -0.57 0.00 0.00 179.45 180.81 1cmc h GLU 79 N 0.00 0.00 -6.56 3.15 3.07 -1.94 -3.43 114.58 108.87 1cmc h GLU 79 Ca -0.00 0.00 -0.52 0.00 -0.50 0.00 0.00 59.36 58.34 1cmc h GLU 79 Cb 0.31 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.19 1cmc h GLU 79 CO 0.01 0.00 0.18 0.50 -1.40 0.00 0.00 179.01 178.30 1cmc s ARG 80 N -3.41 4.51 0.44 2.33 3.52 -0.65 -5.04 118.95 120.65 1cmc s ARG 80 Ca 0.04 1.12 -0.25 0.00 -0.13 0.00 0.00 55.73 56.50 1cmc s ARG 80 Cb 0.09 -3.15 -0.09 0.00 -1.56 0.00 0.00 34.95 30.24 1cmc s ARG 80 CO 0.51 0.51 1.41 0.43 -0.81 0.00 0.00 175.30 177.35 1cmc n SER 81 N 1.33 3.21 -4.55 -2.12 7.64 -1.26 -4.85 113.62 113.02 1cmc n SER 81 Ca -0.04 1.12 -0.37 0.00 1.01 0.00 0.00 58.87 60.59 1cmc n SER 81 Cb 0.49 -1.59 -0.03 0.00 -1.01 0.00 0.00 64.21 62.07 1cmc n SER 81 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1cmc s ASP 82 N -0.46 5.52 0.33 6.43 2.15 -1.26 -4.92 116.67 124.46 1cmc s ASP 82 Ca 0.61 -0.11 0.07 0.00 0.43 0.00 0.00 52.55 53.54 1cmc s ASP 82 Cb -0.46 -2.54 -0.03 0.00 -0.30 0.00 0.00 42.92 39.58 1cmc s ASP 82 CO 0.58 -2.26 0.26 -1.61 -0.17 0.00 0.00 175.17 171.97 1cmc s GLU 83 N 6.62 1.75 0.19 4.34 2.02 -1.26 -3.92 118.70 128.44 1cmc s GLU 83 Ca 0.59 -2.02 -0.32 0.00 0.02 0.00 0.00 54.97 53.24 1cmc s GLU 83 Cb -0.10 0.26 -0.15 0.00 0.10 0.00 0.00 34.13 34.25 1cmc s GLU 83 CO 0.14 -0.63 1.23 -0.89 0.02 0.00 0.00 175.26 175.13 1cmc n ILE 84 N -0.63 0.88 -1.57 -1.63 5.41 -1.26 -4.86 119.36 115.70 1cmc n ILE 84 Ca 0.06 -0.22 -0.47 0.00 1.00 0.00 0.00 62.75 63.12 1cmc n ILE 84 Cb 0.63 -1.00 -0.03 0.00 -0.71 0.00 0.00 39.64 38.52 1cmc n ILE 84 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1cmc n PRO 85 N 1.85 1.13 -0.34 0.38 -0.02 -1.26 -4.72 135.00 132.02 1cmc n PRO 85 Ca 0.14 0.40 0.01 0.00 -2.02 0.00 0.00 63.50 62.04 1cmc n PRO 85 Cb 0.26 -1.82 0.18 0.00 -0.02 0.00 0.00 33.50 32.11 1cmc n PRO 85 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1cmc h GLU 86 N 2.72 1.15 -0.84 -0.52 4.39 -1.96 -1.05 114.58 118.46 1cmc h GLU 86 Ca -0.41 -0.07 0.04 0.00 0.34 0.00 0.00 59.36 59.26 1cmc h GLU 86 Cb 1.35 -0.26 -0.05 0.00 -0.10 0.00 0.00 28.75 29.69 1cmc h GLU 86 CO 0.66 0.76 0.53 0.00 -1.16 0.00 0.00 179.01 179.80 1cmc h ALA 87 N 1.45 1.12 -0.28 3.43 0.00 -1.93 -2.07 119.26 120.98 1cmc h ALA 87 Ca 0.39 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 1cmc h ALA 87 Cb 0.05 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 1cmc h ALA 87 CO -0.13 0.34 0.01 0.00 0.00 0.00 0.00 179.25 179.47 1cmc h ALA 88 N 1.37 0.38 -0.95 0.00 0.00 -1.81 -2.78 119.26 115.47 1cmc h ALA 88 Ca 0.35 -0.22 0.11 0.00 0.00 0.00 0.00 54.91 55.15 1cmc h ALA 88 Cb 0.06 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.66 1cmc h ALA 88 CO -0.13 0.12 0.58 0.87 0.00 0.00 0.00 179.25 180.68 1cmc h LYS 89 N 0.29 0.90 -0.36 0.00 1.57 -0.65 -1.02 116.57 117.29 1cmc h LYS 89 Ca 0.08 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.77 1cmc h LYS 89 Cb 0.42 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.51 1cmc h LYS 89 CO 0.01 0.59 0.06 1.49 -0.57 0.00 0.00 179.45 181.04 1cmc h GLU 90 N 0.93 0.59 -0.65 3.15 4.57 -1.25 -1.01 114.58 120.90 1cmc h GLU 90 Ca 0.47 -0.15 -0.05 0.00 -1.18 0.00 0.00 59.36 58.44 1cmc h GLU 90 Cb 0.46 -0.07 -0.03 0.00 -0.16 0.00 0.00 28.75 28.95 1cmc h GLU 90 CO -0.27 0.65 0.19 0.82 -1.18 0.00 0.00 179.01 179.23 1cmc h ILE 91 N 0.43 1.24 -0.53 2.32 2.04 -1.23 -2.10 117.51 119.68 1cmc h ILE 91 Ca 0.11 -0.86 0.09 0.00 1.00 0.00 0.00 64.86 65.20 1cmc h ILE 91 Cb 0.35 0.54 -0.07 0.00 -0.74 0.00 0.00 36.82 36.90 1cmc h ILE 91 CO 0.01 0.33 0.15 0.24 0.00 0.00 0.00 178.15 178.88 1cmc h MET 92 N 0.96 0.30 -0.08 2.37 2.86 -0.76 0.19 114.93 120.77 1cmc h MET 92 Ca 0.21 -0.02 0.03 0.00 -2.06 0.00 0.00 59.70 57.86 1cmc h MET 92 Cb 0.29 -0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.85 1cmc h MET 92 CO -0.01 0.20 -0.11 0.00 1.06 0.00 0.00 176.91 178.05 1cmc h ARG 93 N 0.30 -0.14 -0.98 1.72 3.08 -0.85 -0.70 114.38 116.81 1cmc h ARG 93 Ca 0.27 0.01 0.05 0.00 0.07 0.00 0.00 59.98 60.38 1cmc h ARG 93 Cb 0.34 0.03 -0.06 0.00 0.08 0.00 0.00 29.97 30.36 1cmc h ARG 93 CO -0.31 -0.10 0.64 1.49 -1.07 0.00 0.00 179.97 180.62 1cmc h GLU 94 N -0.15 1.14 0.00 0.04 4.81 -0.75 -0.07 114.58 119.60 1cmc h GLU 94 Ca 0.07 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1cmc h GLU 94 Cb 0.25 -0.26 0.00 0.00 0.63 0.00 0.00 28.75 29.37 1cmc h GLU 94 CO -0.17 0.76 0.00 -1.33 -0.73 0.00 0.00 179.01 177.53 1cmc n MET 95 N -4.47 0.98 -1.15 1.92 2.81 0.62 -4.89 117.12 112.94 1cmc n MET 95 Ca 0.14 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 56.02 1cmc n MET 95 Cb 0.15 -1.39 -0.01 0.00 -0.71 0.00 0.00 33.22 31.27 1cmc n MET 95 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1cmc n GLY 96 N 0.86 0.48 3.42 3.03 0.00 -0.04 -5.05 105.19 107.89 1cmc n GLY 96 Ca 0.18 -1.00 -0.37 0.00 0.00 0.00 0.00 46.02 44.84 1cmc n GLY 96 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1cmc s ILE 97 N -2.06 4.25 -0.32 -0.61 1.01 -0.36 -5.00 121.20 118.10 1cmc s ILE 97 Ca 0.00 -0.29 -0.28 0.00 0.00 0.00 0.00 60.65 60.07 1cmc s ILE 97 Cb 0.00 -3.04 -0.02 0.00 0.01 0.00 0.00 42.46 39.42 1cmc s ILE 97 CO 0.00 0.27 1.79 0.21 0.00 0.00 0.00 174.94 177.21 1cmc s ASN 98 N 1.59 5.92 0.59 3.58 2.47 -1.26 -3.56 114.94 124.27 1cmc s ASN 98 Ca 0.06 1.33 0.34 0.00 0.42 0.00 0.00 52.86 55.00 1cmc s ASN 98 Cb -0.16 -2.53 1.85 0.00 -1.45 0.00 0.00 41.25 38.97 1cmc s ASN 98 CO 0.03 -1.68 2.21 1.55 -3.72 0.00 0.00 177.10 175.49 1cmc h PRO 99 N 12.74 0.00 0.00 0.43 0.13 -1.90 -2.42 132.00 140.98 1cmc h PRO 99 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1cmc h PRO 99 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1cmc h PRO 99 CO 1.03 0.04 0.00 0.93 -0.23 0.00 0.00 178.00 179.77 1cmc h GLU 100 N 0.00 0.00 -0.00 0.86 3.07 -1.98 -3.30 114.58 113.23 1cmc h GLU 100 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1cmc h GLU 100 Cb 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 1cmc h GLU 100 CO 0.01 0.00 -0.04 0.25 -1.40 0.00 0.00 179.01 177.83 1cmc n THR 101 N -2.88 0.00 -1.71 1.13 -2.24 -1.07 -5.03 114.28 102.48 1cmc n THR 101 Ca 0.04 -0.48 -0.43 0.00 -2.27 0.00 0.00 64.05 60.90 1cmc n THR 101 Cb 0.45 1.04 -0.03 0.00 -2.10 0.00 0.00 70.33 69.69 1cmc n THR 101 CO 0.00 0.00 0.00 1.87 -0.57 0.00 0.00 175.07 176.37 1cmc n TRP 102 N -0.20 2.57 -3.36 4.78 -0.00 -0.93 -4.94 117.44 115.35 1cmc n TRP 102 Ca 0.01 0.24 -0.38 0.00 -0.00 0.00 0.00 57.50 57.37 1cmc n TRP 102 Cb 0.06 -2.58 -0.07 0.00 -0.00 0.00 0.00 31.31 28.73 1cmc n TRP 102 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 177.69 176.48 1cmc s GLU 103 N 0.25 4.27 0.00 5.87 2.02 -1.26 -5.04 118.70 124.80 1cmc s GLU 103 Ca 0.71 0.33 0.00 0.00 0.02 0.00 0.00 54.97 56.03 1cmc s GLU 103 Cb -0.57 -3.48 0.00 0.00 0.10 0.00 0.00 34.13 30.19 1cmc s GLU 103 CO 0.42 0.08 0.00 2.48 0.02 0.00 0.00 175.26 178.26