#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2opu n SER 6 N 0.00 0.00 -4.31 9.51 7.64 -1.26 -4.86 113.62 120.34 2opu n SER 6 Ca 0.00 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.72 2opu n SER 6 Cb 0.00 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.10 2opu n SER 6 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2opu s SER 7 N -4.00 1.94 -0.08 6.43 0.15 -0.79 -5.03 113.70 112.31 2opu s SER 7 Ca 0.00 -1.12 -0.30 0.00 0.70 0.00 0.00 55.95 55.23 2opu s SER 7 Cb 0.00 -0.02 0.12 0.00 -1.71 0.00 0.00 66.02 64.40 2opu s SER 7 CO 0.00 -0.40 0.96 0.00 1.20 0.00 0.00 173.24 175.00 2opu s GLN 8 N -3.79 0.69 -0.22 5.44 1.03 -1.26 -0.33 119.66 121.21 2opu s GLN 8 Ca 0.23 -0.10 -0.04 0.00 0.04 0.00 0.00 55.36 55.49 2opu s GLN 8 Cb 0.04 0.32 0.07 0.00 0.03 0.00 0.00 33.01 33.47 2opu s GLN 8 CO 0.05 -0.27 0.09 -0.51 -2.54 0.00 0.00 175.29 172.11 2opu s LEU 9 N -1.91 0.78 -0.51 2.60 1.43 0.14 -4.90 118.68 116.31 2opu s LEU 9 Ca 0.03 -0.94 0.07 0.00 -1.03 0.00 0.00 54.13 52.26 2opu s LEU 9 Cb -0.01 -0.41 0.33 0.00 0.03 0.00 0.00 46.19 46.13 2opu s LEU 9 CO -0.04 -0.37 0.84 0.61 0.23 0.00 0.00 176.35 177.62 2opu n GLY 10 N 5.18 4.78 0.10 -3.19 0.00 -1.26 -0.83 105.19 109.96 2opu n GLY 10 Ca -0.07 -2.39 -0.03 0.00 0.00 0.00 0.00 46.02 43.54 2opu n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2opu h PRO 11 N 3.16 0.00 -6.31 1.61 0.13 -1.97 -3.46 132.00 125.17 2opu h PRO 11 Ca 0.12 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.58 2opu h PRO 11 Cb 0.68 0.00 -0.17 0.00 0.13 0.00 0.00 31.00 31.64 2opu h PRO 11 CO 0.70 0.56 -0.71 0.96 -0.23 0.00 0.00 178.00 179.29 2opu s ILE 12 N -2.82 3.62 -0.22 -3.56 -4.36 -1.26 -5.05 121.20 107.55 2opu s ILE 12 Ca -0.00 -0.81 0.22 0.00 -0.26 0.00 0.00 60.65 59.80 2opu s ILE 12 Cb 0.09 -2.58 -0.02 0.00 1.25 0.00 0.00 42.46 41.20 2opu s ILE 12 CO 0.80 0.38 1.02 1.41 0.24 0.00 0.00 174.94 178.78 2opu n HIS 13 N 1.51 0.96 -1.15 1.37 8.25 -1.26 -4.51 115.22 120.39 2opu n HIS 13 Ca -0.15 0.28 -0.38 0.00 -0.26 0.00 0.00 57.72 57.21 2opu n HIS 13 Cb 0.52 -0.97 0.03 0.00 1.12 0.00 0.00 29.99 30.69 2opu n HIS 13 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2opu n PRO 14 N -2.69 0.01 -1.25 -0.41 -0.02 -1.26 -4.88 135.00 124.50 2opu n PRO 14 Ca -0.01 0.01 -0.37 0.00 -2.02 0.00 0.00 63.50 61.11 2opu n PRO 14 Cb 0.57 -1.04 0.05 0.00 -0.02 0.00 0.00 33.50 33.06 2opu n PRO 14 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2opu n PRO 15 N 1.78 0.21 0.00 0.52 -0.02 -1.26 -4.62 135.00 131.62 2opu n PRO 15 Ca 0.04 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 2opu n PRO 15 Cb 0.51 -1.49 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 2opu n PRO 15 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2opu n PRO 16 N 0.34 0.28 0.21 0.52 -0.04 -1.26 -3.39 135.00 131.66 2opu n PRO 16 Ca 0.08 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.63 2opu n PRO 16 Cb 0.50 -1.25 0.42 0.00 -0.04 0.00 0.00 33.50 33.13 2opu n PRO 16 CO 0.00 0.00 0.00 0.07 -0.04 0.00 0.00 175.50 175.53 2opu h ARG 17 N 1.08 0.00 0.00 0.54 0.11 -1.84 0.12 114.38 114.39 2opu h ARG 17 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2opu h ARG 17 Cb 0.20 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.28 2opu h ARG 17 CO 0.00 0.27 0.00 -2.37 0.10 0.00 0.00 179.97 177.97 2opu n THR 18 N -3.44 0.00 0.00 0.08 5.66 -1.22 -4.37 114.28 110.99 2opu n THR 18 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2opu n THR 18 Cb 0.45 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.23 2opu n THR 18 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 2opu n SER 19 N 0.00 0.00 -4.57 1.09 7.64 -1.24 -4.82 113.62 111.72 2opu n SER 19 Ca 0.00 0.00 -0.26 0.00 1.01 0.00 0.00 58.87 59.62 2opu n SER 19 Cb 0.42 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.56 2opu n SER 19 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2opu s MET 20 N 0.00 2.45 -0.37 1.43 0.23 -1.24 -4.55 119.30 117.25 2opu s MET 20 Ca 0.00 -0.61 -0.22 0.00 -1.03 0.00 0.00 55.69 53.83 2opu s MET 20 Cb 0.00 -5.12 0.01 0.00 -1.53 0.00 0.00 34.83 28.19 2opu s MET 20 CO 0.00 -3.72 0.72 0.99 -2.03 0.00 0.00 175.02 170.98 2opu s THR 21 N 10.84 4.79 -0.29 3.16 2.01 -0.01 -4.71 115.64 131.44 2opu s THR 21 Ca 0.71 0.71 -0.15 0.00 0.31 0.00 0.00 61.69 63.27 2opu s THR 21 Cb -0.05 -4.17 -0.03 0.00 0.01 0.00 0.00 72.50 68.27 2opu s THR 21 CO 0.06 -0.42 0.37 -0.70 -0.69 0.00 0.00 174.62 173.25 2opu s GLU 22 N 2.96 3.91 -0.50 4.92 2.12 -0.83 0.24 118.70 131.52 2opu s GLU 22 Ca 0.28 -0.06 -0.21 0.00 0.36 0.00 0.00 54.97 55.34 2opu s GLU 22 Cb -0.14 -3.69 0.04 0.00 0.26 0.00 0.00 34.13 30.61 2opu s GLU 22 CO 0.17 -0.34 0.74 -2.00 -0.54 0.00 0.00 175.26 173.28 2opu s GLU 23 N 2.07 3.24 -0.47 4.30 2.56 0.55 -0.69 118.70 130.26 2opu s GLU 23 Ca 0.14 -0.54 -0.22 0.00 0.00 0.00 0.00 54.97 54.36 2opu s GLU 23 Cb -0.16 -4.04 0.03 0.00 2.00 0.00 0.00 34.13 31.96 2opu s GLU 23 CO 0.10 -1.25 0.72 0.71 -0.56 0.00 0.00 175.26 174.99 2opu s TYR 24 N 3.11 3.00 -0.66 5.30 1.51 0.99 -1.89 117.35 128.71 2opu s TYR 24 Ca 0.22 -0.09 -0.22 0.00 -1.01 0.00 0.00 57.07 55.98 2opu s TYR 24 Cb -0.16 -3.58 0.08 0.00 -0.11 0.00 0.00 41.96 38.19 2opu s TYR 24 CO 0.16 -1.01 0.92 1.03 -1.11 0.00 0.00 175.55 175.54 2opu s ARG 25 N 3.09 3.12 -0.10 -0.62 0.52 -1.26 -0.41 118.95 123.28 2opu s ARG 25 Ca 0.24 -0.97 0.01 0.00 -0.52 0.00 0.00 55.73 54.49 2opu s ARG 25 Cb -0.14 -4.27 -0.02 0.00 0.52 0.00 0.00 34.95 31.04 2opu s ARG 25 CO 0.19 -1.76 -0.15 0.54 0.02 0.00 0.00 175.30 174.14 2opu s VAL 26 N 3.73 2.95 0.26 3.52 0.11 0.09 -4.94 120.40 126.12 2opu s VAL 26 Ca 0.20 -0.72 -0.31 0.00 -2.93 0.00 0.00 61.98 58.23 2opu s VAL 26 Cb -0.18 -2.20 -0.12 0.00 -1.53 0.00 0.00 36.38 32.35 2opu s VAL 26 CO 0.09 0.55 1.59 -2.65 -3.33 0.00 0.00 175.10 171.34 2opu n PRO 27 N 3.16 2.57 0.03 1.54 -0.02 -1.26 -0.66 135.00 140.36 2opu n PRO 27 Ca -0.18 0.92 0.11 0.00 -2.02 0.00 0.00 63.50 62.32 2opu n PRO 27 Cb 0.53 -2.69 0.55 0.00 -0.02 0.00 0.00 33.50 31.86 2opu n PRO 27 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2opu h ASP 28 N 5.19 0.24 0.17 2.55 3.58 -1.93 0.20 116.42 126.42 2opu h ASP 28 Ca -0.46 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 56.93 2opu h ASP 28 Cb 1.23 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 42.22 2opu h ASP 28 CO 0.83 0.16 -0.25 1.23 -2.88 0.00 0.00 179.24 178.32 2opu h GLY 29 N 0.27 0.17 2.00 -0.78 0.00 -2.00 -1.37 103.07 101.36 2opu h GLY 29 Ca 0.18 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.39 2opu h GLY 29 CO -0.04 0.11 0.00 -0.33 0.00 0.00 0.00 176.54 176.29 2opu h MET 30 N 0.14 0.00 -0.20 4.80 2.86 -0.97 -2.53 114.93 119.03 2opu h MET 30 Ca 0.02 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.46 2opu h MET 30 Cb 0.53 0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.20 2opu h MET 30 CO 0.04 0.00 -0.69 0.28 1.06 0.00 0.00 176.91 177.60 2opu h VAL 31 N 0.00 1.28 0.00 -2.22 2.07 -0.90 0.16 116.25 116.64 2opu h VAL 31 Ca 0.00 -1.89 -0.02 0.00 0.82 0.00 0.00 66.70 65.61 2opu h VAL 31 Cb 0.73 1.85 -0.00 0.00 -1.52 0.00 0.00 31.29 32.34 2opu h VAL 31 CO 0.00 0.60 -0.10 1.23 0.02 0.00 0.00 177.57 179.32 2opu h GLY 32 N 0.65 0.00 1.42 2.17 0.00 -1.08 -1.96 103.07 104.27 2opu h GLY 32 Ca -0.03 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.05 2opu h GLY 32 CO 0.14 0.00 -1.40 1.41 0.00 0.00 0.00 176.54 176.69 2opu h LEU 33 N 0.00 0.00 -0.87 3.11 3.38 -1.23 -3.22 115.31 116.49 2opu h LEU 33 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 2opu h LEU 33 Cb 0.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2opu h LEU 33 CO 0.01 1.00 -0.40 -0.29 0.09 0.00 0.00 178.44 178.85 2opu h ILE 34 N 0.00 0.91 0.00 1.22 6.09 -0.15 -1.74 117.51 123.84 2opu h ILE 34 Ca -0.17 -1.60 0.00 0.00 -1.37 0.00 0.00 64.86 61.73 2opu h ILE 34 Cb 1.91 1.97 0.00 0.00 0.47 0.00 0.00 36.82 41.17 2opu h ILE 34 CO 0.10 0.39 -0.22 2.30 -3.07 0.00 0.00 178.15 177.65 2opu n ILE 35 N -3.53 0.41 0.00 2.19 -5.35 -0.79 -3.70 119.36 108.60 2opu n ILE 35 Ca -0.00 -0.23 0.00 0.00 -0.27 0.00 0.00 62.75 62.25 2opu n ILE 35 Cb 0.53 -0.38 0.00 0.00 -1.74 0.00 0.00 39.64 38.05 2opu n ILE 35 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2opu n GLY 36 N 1.35 0.55 0.16 3.28 0.00 -0.66 -1.66 105.19 108.22 2opu n GLY 36 Ca 0.05 0.55 0.11 0.00 0.00 0.00 0.00 46.02 46.73 2opu n GLY 36 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2opu n ARG 37 N 0.00 0.14 0.00 1.61 0.00 -1.26 -4.72 116.66 112.43 2opu n ARG 37 Ca 0.00 0.63 0.00 0.00 -0.00 0.00 0.00 57.85 58.48 2opu n ARG 37 Cb 0.00 -1.96 0.00 0.00 -0.00 0.00 0.00 32.46 30.50 2opu n ARG 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2opu n GLY 38 N -1.26 1.76 0.00 2.89 0.00 -0.83 -4.90 105.19 102.85 2opu n GLY 38 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2opu n GLY 38 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2opu n GLY 39 N 0.00 2.99 0.30 -0.02 0.00 -0.66 -4.99 105.19 102.81 2opu n GLY 39 Ca 0.00 -0.42 0.14 0.00 0.00 0.00 0.00 46.02 45.74 2opu n GLY 39 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2opu h GLU 40 N 0.00 0.00 0.16 1.61 4.57 -1.91 -3.07 114.58 115.94 2opu h GLU 40 Ca 0.00 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.17 2opu h GLU 40 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 2opu h GLU 40 CO 0.00 0.00 -0.08 0.37 -1.18 0.00 0.00 179.01 178.12 2opu h GLN 41 N 0.00 -0.20 -0.79 1.92 4.15 -1.80 0.12 115.11 118.51 2opu h GLN 41 Ca 0.02 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.43 2opu h GLN 41 Cb 0.13 0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.83 2opu h GLN 41 CO -0.00 -0.05 0.39 0.97 -1.93 0.00 0.00 178.83 178.20 2opu h ILE 42 N -0.31 1.25 -0.22 2.39 6.09 -1.61 -0.92 117.51 124.17 2opu h ILE 42 Ca -0.02 -0.68 0.06 0.00 -1.37 0.00 0.00 64.86 62.85 2opu h ILE 42 Cb 0.25 0.25 -0.06 0.00 0.47 0.00 0.00 36.82 37.72 2opu h ILE 42 CO 0.04 0.29 -0.20 0.78 -3.07 0.00 0.00 178.15 175.98 2opu h ASN 43 N 1.11 -0.66 -0.09 2.19 2.35 -1.46 0.90 115.58 119.92 2opu h ASN 43 Ca 0.27 0.12 0.03 0.00 -0.55 0.00 0.00 56.30 56.17 2opu h ASN 43 Cb 0.11 0.32 -0.03 0.00 0.05 0.00 0.00 38.32 38.77 2opu h ASN 43 CO -0.04 -0.25 -0.07 0.50 -1.65 0.00 0.00 177.43 175.92 2opu h LYS 44 N -0.21 -0.08 0.08 0.81 1.63 -0.32 -0.39 116.57 118.09 2opu h LYS 44 Ca 0.13 0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.93 2opu h LYS 44 Cb 0.41 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 32.06 2opu h LYS 44 CO -0.35 -0.06 -0.04 0.82 -3.45 0.00 0.00 179.45 176.38 2opu h ILE 45 N -0.09 0.94 -0.33 2.00 1.08 -0.56 0.17 117.51 120.73 2opu h ILE 45 Ca 0.06 -0.06 -0.17 0.00 -0.39 0.00 0.00 64.86 64.30 2opu h ILE 45 Cb 0.18 0.98 -0.00 0.00 -3.07 0.00 0.00 36.82 34.91 2opu h ILE 45 CO -0.14 0.02 -0.48 0.06 -0.69 0.00 0.00 178.15 176.91 2opu h GLN 46 N -0.13 0.89 0.00 2.37 -0.00 -0.77 -2.76 115.11 114.71 2opu h GLN 46 Ca -0.01 -0.52 -0.21 0.00 -0.00 0.00 0.00 58.65 57.91 2opu h GLN 46 Cb 0.11 0.04 -0.01 0.00 -0.00 0.00 0.00 27.48 27.63 2opu h GLN 46 CO 0.02 1.16 -0.90 0.37 -0.00 0.00 0.00 178.83 179.48 2opu h GLN 47 N 0.70 0.29 -0.46 0.06 4.15 -1.02 0.13 115.11 118.97 2opu h GLN 47 Ca 0.03 -0.32 -0.02 0.00 0.77 0.00 0.00 58.65 59.12 2opu h GLN 47 Cb 1.08 0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.84 2opu h GLN 47 CO 0.11 1.02 0.22 0.22 -1.93 0.00 0.00 178.83 178.47 2opu h ASP 48 N 0.16 0.59 0.49 -0.69 3.58 -0.63 -3.04 116.42 116.89 2opu h ASP 48 Ca -0.06 -0.12 -0.30 0.00 0.42 0.00 0.00 57.03 56.97 2opu h ASP 48 Cb 1.53 -0.15 0.02 0.00 1.72 0.00 0.00 39.33 42.45 2opu h ASP 48 CO 0.15 0.55 -1.35 0.77 -2.88 0.00 0.00 179.24 176.47 2opu h SER 49 N 0.59 0.57 0.00 2.28 4.64 -1.50 -3.48 113.55 116.65 2opu h SER 49 Ca 0.16 -0.62 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2opu h SER 49 Cb 0.11 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.01 2opu h SER 49 CO -0.02 1.49 0.00 0.61 -0.87 0.00 0.00 176.83 178.04 2opu n GLY 50 N 1.61 0.97 3.76 -0.77 0.00 0.09 -4.54 105.19 106.31 2opu n GLY 50 Ca -0.12 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 2opu n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2opu n LYS 52 N 1.15 3.91 -2.68 0.00 5.02 0.27 -4.23 118.16 121.58 2opu n LYS 52 Ca -0.01 -4.24 -0.43 0.00 -2.02 0.00 0.00 58.31 51.62 2opu n LYS 52 Cb 0.48 -2.67 -0.03 0.00 -0.02 0.00 0.00 35.03 32.79 2opu n LYS 52 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2opu s VAL 53 N -1.17 4.23 -0.37 -0.18 1.01 -1.26 -3.60 120.40 119.07 2opu s VAL 53 Ca 0.34 0.84 -0.11 0.00 0.00 0.00 0.00 61.98 63.05 2opu s VAL 53 Cb 0.01 -4.60 0.02 0.00 0.00 0.00 0.00 36.38 31.80 2opu s VAL 53 CO 0.02 -1.11 0.21 -1.58 0.00 0.00 0.00 175.10 172.63 2opu s GLN 54 N 4.40 2.93 -1.01 2.72 2.00 -0.74 -4.97 119.66 124.99 2opu s GLN 54 Ca 0.41 -1.01 -0.23 0.00 -2.00 0.00 0.00 55.36 52.53 2opu s GLN 54 Cb -0.09 -3.73 0.04 0.00 0.80 0.00 0.00 33.01 30.03 2opu s GLN 54 CO 0.26 -0.66 1.49 0.42 -0.50 0.00 0.00 175.29 176.30 2opu s ILE 55 N 1.58 3.88 -0.32 -2.34 -1.09 -1.26 -1.66 121.20 119.99 2opu s ILE 55 Ca 0.03 -0.72 -0.29 0.00 -2.23 0.00 0.00 60.65 57.43 2opu s ILE 55 Cb -0.19 -4.98 0.02 0.00 -1.58 0.00 0.00 42.46 35.73 2opu s ILE 55 CO 0.07 -1.86 1.09 -0.44 -1.23 0.00 0.00 174.94 172.57 2opu s SER 56 N 5.21 6.91 0.00 3.58 0.01 -0.43 -4.87 113.70 124.12 2opu s SER 56 Ca 0.48 1.05 0.26 0.00 1.31 0.00 0.00 55.95 59.04 2opu s SER 56 Cb -0.01 -2.54 1.25 0.00 0.21 0.00 0.00 66.02 64.93 2opu s SER 56 CO -0.09 -0.90 1.84 -0.81 0.41 0.00 0.00 173.24 173.69 2opu n PRO 57 N 6.91 1.34 0.09 12.44 -0.04 -1.26 -2.66 135.00 151.82 2opu n PRO 57 Ca 0.12 -0.51 -0.12 0.00 -0.04 0.00 0.00 63.50 62.96 2opu n PRO 57 Cb 0.47 -1.43 -0.08 0.00 -0.04 0.00 0.00 33.50 32.42 2opu n PRO 57 CO 0.00 0.00 0.00 0.22 -0.04 0.00 0.00 175.50 175.68 2opu h ASP 58 N 1.14 0.30 0.00 3.54 1.82 -1.92 -3.47 116.42 117.83 2opu h ASP 58 Ca 0.00 -0.28 0.00 0.00 -0.39 0.00 0.00 57.03 56.36 2opu h ASP 58 Cb 0.24 -0.09 0.00 0.00 0.68 0.00 0.00 39.33 40.16 2opu h ASP 58 CO 0.00 1.16 0.00 -1.54 -1.61 0.00 0.00 179.24 177.25 2opu n SER 59 N -3.56 0.00 0.00 2.28 3.41 -1.24 -4.87 113.62 109.64 2opu n SER 59 Ca -0.05 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.56 2opu n SER 59 Cb 0.92 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.87 2opu n SER 59 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2opu n GLY 60 N 0.00 1.15 0.39 5.00 0.00 -1.26 -4.34 105.19 106.14 2opu n GLY 60 Ca 0.00 -0.89 0.11 0.00 0.00 0.00 0.00 46.02 45.24 2opu n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2opu n GLY 61 N 0.00 -0.10 3.60 -0.02 0.00 -1.26 -4.83 105.19 102.58 2opu n GLY 61 Ca 0.00 -0.35 -0.33 0.00 0.00 0.00 0.00 46.02 45.34 2opu n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2opu s LEU 62 N -1.66 3.23 0.00 0.99 2.01 -1.26 -4.99 118.68 117.00 2opu s LEU 62 Ca 0.33 -0.04 0.27 0.00 0.01 0.00 0.00 54.13 54.70 2opu s LEU 62 Cb 0.17 -1.77 1.08 0.00 0.01 0.00 0.00 46.19 45.69 2opu s LEU 62 CO 0.27 0.33 1.76 -0.81 1.01 0.00 0.00 176.35 178.91 2opu n PRO 63 N 1.94 1.61 -1.75 1.29 -0.04 -1.26 -4.78 135.00 132.02 2opu n PRO 63 Ca -0.17 -0.89 -0.01 0.00 -0.04 0.00 0.00 63.50 62.39 2opu n PRO 63 Cb 0.53 -1.47 -0.00 0.00 -0.04 0.00 0.00 33.50 32.52 2opu n PRO 63 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2opu n GLU 64 N 0.09 1.65 -3.02 0.54 0.28 -1.26 -4.91 120.64 114.01 2opu n GLU 64 Ca 0.19 -0.10 -0.40 0.00 -0.16 0.00 0.00 57.16 56.69 2opu n GLU 64 Cb 0.33 0.02 -0.05 0.00 1.43 0.00 0.00 31.44 33.16 2opu n GLU 64 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 177.13 177.47 2opu s ARG 65 N -2.06 4.46 -0.47 3.44 6.06 0.17 -4.69 118.95 125.86 2opu s ARG 65 Ca 0.01 0.99 -0.08 0.00 -2.50 0.00 0.00 55.73 54.15 2opu s ARG 65 Cb -0.00 -3.38 0.12 0.00 0.06 0.00 0.00 34.95 31.75 2opu s ARG 65 CO 0.00 0.25 0.32 -1.54 -2.50 0.00 0.00 175.30 171.83 2opu s SER 66 N 0.11 5.61 -0.40 -2.12 1.04 -1.09 -0.73 113.70 116.12 2opu s SER 66 Ca 0.38 -1.98 -0.14 0.00 0.48 0.00 0.00 55.95 54.69 2opu s SER 66 Cb -0.20 -1.97 0.02 0.00 0.10 0.00 0.00 66.02 63.97 2opu s SER 66 CO 0.21 -0.65 0.28 -0.69 0.98 0.00 0.00 173.24 173.37 2opu s VAL 67 N 1.26 5.10 -0.05 5.02 1.01 0.45 -1.31 120.40 131.88 2opu s VAL 67 Ca 0.07 -0.68 -0.24 0.00 0.00 0.00 0.00 61.98 61.12 2opu s VAL 67 Cb -0.25 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.26 2opu s VAL 67 CO -0.02 -0.28 0.74 -0.44 0.00 0.00 0.00 175.10 175.10 2opu s SER 68 N 1.65 7.04 -0.35 3.32 0.01 -0.66 -0.01 113.70 124.70 2opu s SER 68 Ca 0.04 1.25 -0.10 0.00 1.31 0.00 0.00 55.95 58.46 2opu s SER 68 Cb -0.19 -2.43 0.02 0.00 0.21 0.00 0.00 66.02 63.63 2opu s SER 68 CO 0.09 -0.13 0.17 -0.76 0.41 0.00 0.00 173.24 173.03 2opu s LEU 69 N 0.80 4.50 -0.16 2.44 2.01 0.14 -1.80 118.68 126.60 2opu s LEU 69 Ca 0.39 -0.93 -0.08 0.00 0.01 0.00 0.00 54.13 53.53 2opu s LEU 69 Cb -0.18 -1.98 0.06 0.00 0.01 0.00 0.00 46.19 44.10 2opu s LEU 69 CO 0.19 -0.33 0.37 -0.89 1.01 0.00 0.00 176.35 176.70 2opu s THR 70 N 1.53 -0.16 0.00 5.49 2.01 -1.24 -1.96 115.64 121.31 2opu s THR 70 Ca 0.02 0.13 0.00 0.00 0.31 0.00 0.00 61.69 62.15 2opu s THR 70 Cb -0.19 -0.57 0.00 0.00 0.01 0.00 0.00 72.50 71.76 2opu s THR 70 CO 0.06 0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.65 2opu n GLY 71 N 4.53 -0.67 3.67 4.40 0.00 0.43 0.94 105.19 118.50 2opu n GLY 71 Ca -0.20 0.39 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 2opu n GLY 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2opu s ALA 72 N -1.24 -1.43 0.20 4.61 0.00 -1.22 -3.19 121.76 119.48 2opu s ALA 72 Ca 0.00 0.09 -0.18 0.00 0.00 0.00 0.00 51.96 51.86 2opu s ALA 72 Cb 0.00 0.82 0.18 0.00 0.00 0.00 0.00 23.12 24.12 2opu s ALA 72 CO 0.00 -0.92 1.59 -1.35 0.00 0.00 0.00 175.76 175.07 2opu h PRO 73 N 2.00 -0.10 0.24 0.00 0.11 -1.94 0.71 132.00 133.01 2opu h PRO 73 Ca -0.25 0.01 -0.34 0.00 0.11 0.00 0.00 66.00 65.53 2opu h PRO 73 Cb 1.27 0.02 0.03 0.00 0.11 0.00 0.00 31.00 32.43 2opu h PRO 73 CO 0.29 -0.07 -1.55 1.49 -0.21 0.00 0.00 178.00 177.95 2opu h GLU 74 N -0.11 0.50 -0.39 1.05 4.81 -1.97 -3.30 114.58 115.18 2opu h GLU 74 Ca 0.27 -0.86 -0.05 0.00 -0.13 0.00 0.00 59.36 58.60 2opu h GLU 74 Cb 0.56 0.32 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 2opu h GLU 74 CO -0.74 1.41 0.04 0.77 -0.73 0.00 0.00 179.01 179.76 2opu h SER 75 N 0.12 0.64 0.54 1.04 0.02 -1.60 -1.21 113.55 113.10 2opu h SER 75 Ca -0.28 -0.28 -0.13 0.00 -0.84 0.00 0.00 61.79 60.26 2opu h SER 75 Cb 2.14 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 64.50 2opu h SER 75 CO 0.25 0.76 -0.58 1.62 -1.14 0.00 0.00 176.83 177.73 2opu h VAL 76 N 0.50 1.41 -0.20 2.27 3.04 0.23 -1.07 116.25 122.43 2opu h VAL 76 Ca 0.12 -1.99 -0.12 0.00 -1.01 0.00 0.00 66.70 63.70 2opu h VAL 76 Cb 0.41 2.06 -0.00 0.00 -2.01 0.00 0.00 31.29 31.74 2opu h VAL 76 CO 0.01 0.57 -0.33 -0.61 -1.01 0.00 0.00 177.57 176.21 2opu h GLN 77 N 0.03 0.58 0.10 4.17 4.15 -1.57 0.89 115.11 123.45 2opu h GLN 77 Ca -0.01 -0.35 0.01 0.00 0.77 0.00 0.00 58.65 59.07 2opu h GLN 77 Cb 1.04 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.75 2opu h GLN 77 CO 0.08 0.96 -0.14 -0.22 -1.93 0.00 0.00 178.83 177.58 2opu h LYS 78 N 0.25 -0.27 -0.04 1.69 1.63 -1.02 0.15 116.57 118.96 2opu h LYS 78 Ca 0.02 0.02 0.01 0.00 -0.85 0.00 0.00 60.65 59.85 2opu h LYS 78 Cb 0.91 0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.59 2opu h LYS 78 CO 0.07 -0.18 -0.03 0.00 -3.45 0.00 0.00 179.45 175.87 2opu h ALA 79 N 0.58 0.01 0.00 5.00 0.00 -1.17 -2.27 119.26 121.42 2opu h ALA 79 Ca 0.02 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2opu h ALA 79 Cb 0.29 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2opu h ALA 79 CO -0.07 -0.51 -0.04 0.87 0.00 0.00 0.00 179.25 179.50 2opu h LYS 80 N -0.03 0.00 -0.66 0.00 1.57 -0.70 -1.49 116.57 115.27 2opu h LYS 80 Ca 0.03 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 2opu h LYS 80 Cb 0.07 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 2opu h LYS 80 CO -0.06 0.04 0.30 0.52 -0.57 0.00 0.00 179.45 179.68 2opu h MET 81 N 0.00 0.97 -0.39 3.15 2.86 -0.10 0.35 114.93 121.77 2opu h MET 81 Ca -0.00 -0.16 -0.08 0.00 -2.06 0.00 0.00 59.70 57.41 2opu h MET 81 Cb 0.51 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 2opu h MET 81 CO 0.01 0.78 -0.06 0.52 1.06 0.00 0.00 176.91 179.22 2opu h MET 82 N 0.92 0.73 0.25 1.72 2.86 -1.08 -1.87 114.93 118.46 2opu h MET 82 Ca 0.22 -0.26 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 2opu h MET 82 Cb 0.15 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 31.77 2opu h MET 82 CO -0.02 0.85 -0.12 -0.07 1.06 0.00 0.00 176.91 178.61 2opu h LEU 83 N 0.54 -0.29 -1.64 1.22 -0.00 -1.17 -1.99 115.31 111.98 2opu h LEU 83 Ca 0.10 -0.14 0.09 0.00 -0.00 0.00 0.00 57.88 57.94 2opu h LEU 83 Cb 0.56 0.07 -0.03 0.00 -0.00 0.00 0.00 40.66 41.26 2opu h LEU 83 CO 0.03 -0.03 0.39 -0.78 -0.00 0.00 0.00 178.44 178.06 2opu h ASP 84 N -0.55 0.37 0.75 -0.43 3.58 -0.35 0.28 116.42 120.08 2opu h ASP 84 Ca -0.03 0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.39 2opu h ASP 84 Cb 0.41 -0.07 0.01 0.00 1.72 0.00 0.00 39.33 41.39 2opu h ASP 84 CO 0.06 0.23 -0.36 -0.78 -2.88 0.00 0.00 179.24 175.50 2opu h ASP 85 N 0.42 -0.86 0.23 2.28 1.82 -1.06 -2.41 116.42 116.85 2opu h ASP 85 Ca 0.27 0.03 -0.24 0.00 -0.39 0.00 0.00 57.03 56.70 2opu h ASP 85 Cb 0.49 0.22 0.01 0.00 0.68 0.00 0.00 39.33 40.73 2opu h ASP 85 CO -0.07 -0.53 -0.98 0.40 -1.61 0.00 0.00 179.24 176.45 2opu h ILE 86 N -1.18 1.36 -0.16 2.25 5.03 -1.06 -2.50 117.51 121.26 2opu h ILE 86 Ca -0.10 -2.39 -0.07 0.00 -0.12 0.00 0.00 64.86 62.18 2opu h ILE 86 Cb 0.78 2.41 -0.01 0.00 -3.03 0.00 0.00 36.82 36.96 2opu h ILE 86 CO 0.17 0.72 -0.22 0.58 -0.68 0.00 0.00 178.15 178.72 2opu h VAL 87 N 0.28 1.23 0.01 1.67 2.07 -0.57 -1.54 116.25 119.40 2opu h VAL 87 Ca -0.10 -1.07 -0.24 0.00 0.82 0.00 0.00 66.70 66.12 2opu h VAL 87 Cb 1.62 1.36 0.01 0.00 -1.52 0.00 0.00 31.29 32.76 2opu h VAL 87 CO 0.18 0.33 -0.98 -1.28 0.02 0.00 0.00 177.57 175.84 2opu h SER 88 N 0.25 0.61 0.98 0.57 0.87 -1.37 0.29 113.55 115.75 2opu h SER 88 Ca 0.04 -0.50 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 2opu h SER 88 Cb 0.54 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.32 2opu h SER 88 CO 0.04 1.30 0.00 -2.11 -0.53 0.00 0.00 176.83 175.53 2opu n ARG 89 N -3.76 0.14 -0.02 2.24 1.85 -0.95 -3.52 116.66 112.65 2opu n ARG 89 Ca -0.08 0.24 -0.04 0.00 -1.00 0.00 0.00 57.85 56.98 2opu n ARG 89 Cb 0.85 -1.71 -0.01 0.00 -1.05 0.00 0.00 32.46 30.54 2opu n ARG 89 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2opu n GLY 90 N 0.71 -0.29 3.56 2.89 0.00 -0.62 -4.12 105.19 107.31 2opu n GLY 90 Ca 0.04 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 2opu n GLY 90 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2opu s ARG 91 N -2.18 3.14 0.00 1.61 3.00 0.10 -1.50 118.95 123.13 2opu s ARG 91 Ca -0.13 -0.58 0.00 0.00 -1.00 0.00 0.00 55.73 54.02 2opu s ARG 91 Cb 0.02 -5.00 0.00 0.00 0.00 0.00 0.00 34.95 29.97 2opu s ARG 91 CO 0.19 -2.58 0.00 0.41 0.00 0.00 0.00 175.30 173.32 2opu n GLY 92 N 6.53 0.87 0.87 8.12 0.00 -1.26 -4.46 105.19 115.86 2opu n GLY 92 Ca 0.29 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.43 2opu n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93