#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 -0.55 -0.46 9.51 3.41 -1.26 -5.00 113.62 119.27 2opu n SER 6 Ca 0.00 -1.72 0.00 0.00 -0.26 0.00 0.00 58.87 56.89 2opu n SER 6 Cb 0.00 1.01 0.00 0.00 -0.26 0.00 0.00 64.21 64.96 2opu n SER 6 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2opu n SER 7 N -1.88 -2.80 -3.79 4.04 7.64 0.10 -4.81 113.62 112.12 2opu n SER 7 Ca -0.00 0.00 -0.54 0.00 1.01 0.00 0.00 58.87 59.34 2opu n SER 7 Cb 0.23 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.34 2opu n SER 7 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2opu n GLN 8 N -0.92 0.00 -5.19 1.43 1.13 -1.26 -2.32 117.38 110.24 2opu n GLN 8 Ca 0.00 0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 54.76 2opu n GLN 8 Cb 0.00 -1.23 -0.16 0.00 0.11 0.00 0.00 30.24 28.96 2opu n GLN 8 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 2opu s LEU 9 N 3.11 2.04 -0.40 1.08 2.01 0.58 -4.95 118.68 122.15 2opu s LEU 9 Ca 0.89 -0.46 0.07 0.00 0.01 0.00 0.00 54.13 54.65 2opu s LEU 9 Cb -1.23 -1.27 0.24 0.00 0.01 0.00 0.00 46.19 43.93 2opu s LEU 9 CO 0.64 0.26 0.50 0.61 1.01 0.00 0.00 176.35 179.36 2opu n GLY 10 N 2.77 2.66 0.13 -3.19 0.00 -1.25 -0.70 105.19 105.61 2opu n GLY 10 Ca -0.17 -1.48 -0.21 0.00 0.00 0.00 0.00 46.02 44.16 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 4.28 0.39 -6.58 1.61 0.14 -1.80 -3.47 132.00 126.58 2opu h PRO 11 Ca 0.10 -0.67 -0.67 0.00 0.14 0.00 0.00 66.00 64.90 2opu h PRO 11 Cb 0.89 0.25 -0.17 0.00 0.14 0.00 0.00 31.00 32.11 2opu h PRO 11 CO 0.44 1.30 -0.76 0.42 0.14 0.00 0.00 178.00 179.55 2opu s ILE 12 N -2.61 3.21 -0.14 -3.56 -1.09 -1.25 -5.07 121.20 110.69 2opu s ILE 12 Ca -0.09 -1.29 -0.09 0.00 -2.23 0.00 0.00 60.65 56.95 2opu s ILE 12 Cb 0.06 -2.48 -0.25 0.00 -1.58 0.00 0.00 42.46 38.21 2opu s ILE 12 CO 0.90 0.14 0.31 1.57 -1.23 0.00 0.00 174.94 176.64 2opu n HIS 13 N 0.85 1.17 -0.92 3.97 -0.00 -1.26 -4.25 115.22 114.77 2opu n HIS 13 Ca -0.14 0.28 -0.34 0.00 0.46 0.00 0.00 57.72 57.98 2opu n HIS 13 Cb 0.52 -1.15 0.05 0.00 -0.12 0.00 0.00 29.99 29.29 2opu n HIS 13 CO 0.00 0.00 0.00 -2.30 0.46 0.00 0.00 176.34 174.50 2opu n PRO 14 N -3.64 -0.27 -0.87 1.57 -0.02 -1.26 -4.87 135.00 125.65 2opu n PRO 14 Ca -0.33 -0.08 -0.27 0.00 -2.02 0.00 0.00 63.50 60.80 2opu n PRO 14 Cb 0.99 -1.10 0.01 0.00 -0.02 0.00 0.00 33.50 33.37 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 1.75 0.00 0.00 0.52 -0.02 -1.26 -4.33 135.00 131.66 2opu n PRO 15 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 2opu n PRO 15 Cb 0.65 -0.70 0.00 0.00 -0.02 0.00 0.00 33.50 33.43 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 1.06 0.31 0.00 0.52 -0.04 -1.26 -3.07 135.00 132.53 2opu n PRO 16 Ca 0.05 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.65 2opu n PRO 16 Cb 0.33 -1.29 0.51 0.00 -0.04 0.00 0.00 33.50 33.01 2opu n PRO 16 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 2opu n ARG 17 N 0.71 0.24 -0.09 0.54 1.85 0.07 -0.27 116.66 119.71 2opu n ARG 17 Ca 0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 57.85 56.77 2opu n ARG 17 Cb 0.13 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.05 2opu n ARG 17 CO 0.00 0.00 0.00 -2.37 -0.01 0.00 0.00 177.63 175.25 2opu n THR 18 N -1.31 0.00 0.00 8.89 5.66 -1.17 -4.55 114.28 121.79 2opu n THR 18 Ca 0.09 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.09 2opu n THR 18 Cb 0.32 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.10 2opu n THR 18 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2opu n SER 19 N 0.00 0.00 -4.39 1.09 2.88 -1.22 -3.80 113.62 108.18 2opu n SER 19 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 2opu n SER 19 Cb 0.39 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.78 2opu n SER 19 CO 0.00 0.00 0.00 1.15 -1.23 0.00 0.00 175.04 174.96 2opu n MET 20 N 0.00 1.41 -2.60 -1.46 0.00 -1.24 -3.94 117.12 109.28 2opu n MET 20 Ca 0.00 -2.26 -0.43 0.00 0.00 0.00 0.00 57.70 55.01 2opu n MET 20 Cb 0.00 -3.58 -0.02 0.00 0.00 0.00 0.00 33.22 29.62 2opu n MET 20 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 175.97 176.96 2opu s THR 21 N 10.53 4.43 -0.29 3.17 2.01 0.13 -4.81 115.64 130.81 2opu s THR 21 Ca 0.68 1.63 -0.16 0.00 0.31 0.00 0.00 61.69 64.15 2opu s THR 21 Cb 0.02 -4.39 -0.03 0.00 0.01 0.00 0.00 72.50 68.11 2opu s THR 21 CO 0.15 -0.52 0.41 -0.70 -0.69 0.00 0.00 174.62 173.26 2opu s GLU 22 N 3.80 3.92 -0.42 4.92 2.56 -0.64 -0.31 118.70 132.52 2opu s GLU 22 Ca 0.47 -0.00 -0.11 0.00 0.00 0.00 0.00 54.97 55.33 2opu s GLU 22 Cb -0.12 -3.69 0.06 0.00 2.00 0.00 0.00 34.13 32.38 2opu s GLU 22 CO 0.18 -0.36 0.27 -2.00 -0.56 0.00 0.00 175.26 172.78 2opu s GLU 23 N 2.14 2.72 -0.19 4.30 2.56 -0.98 0.02 118.70 129.26 2opu s GLU 23 Ca 0.16 -1.35 -0.18 0.00 0.00 0.00 0.00 54.97 53.60 2opu s GLU 23 Cb -0.16 -3.82 -0.03 0.00 2.00 0.00 0.00 34.13 32.12 2opu s GLU 23 CO 0.10 -0.90 0.51 0.71 -0.56 0.00 0.00 175.26 175.13 2opu s TYR 24 N 1.49 3.39 -0.65 5.30 2.02 0.91 0.01 117.35 129.81 2opu s TYR 24 Ca 0.03 0.79 -0.21 0.00 -0.37 0.00 0.00 57.07 57.31 2opu s TYR 24 Cb -0.22 -2.66 0.08 0.00 -0.40 0.00 0.00 41.96 38.77 2opu s TYR 24 CO 0.04 -0.07 0.89 1.03 -1.57 0.00 0.00 175.55 175.87 2opu s ARG 25 N 1.50 3.12 -0.18 -0.62 0.52 -1.26 -1.35 118.95 120.67 2opu s ARG 25 Ca 0.24 -1.04 -0.01 0.00 -0.52 0.00 0.00 55.73 54.40 2opu s ARG 25 Cb -0.15 -4.28 0.00 0.00 0.52 0.00 0.00 34.95 31.04 2opu s ARG 25 CO 0.10 -1.73 -0.13 0.54 0.02 0.00 0.00 175.30 174.09 2opu s VAL 26 N 3.55 2.70 0.48 3.52 0.11 0.09 -4.91 120.40 125.94 2opu s VAL 26 Ca 0.19 -0.74 -0.22 0.00 -2.93 0.00 0.00 61.98 58.28 2opu s VAL 26 Cb -0.19 -2.17 -0.09 0.00 -1.53 0.00 0.00 36.38 32.41 2opu s VAL 26 CO 0.08 0.50 0.98 -2.65 -3.33 0.00 0.00 175.10 170.67 2opu n PRO 27 N 4.44 1.20 0.25 1.54 -0.02 -1.26 -0.05 135.00 141.10 2opu n PRO 27 Ca -0.19 0.44 0.08 0.00 -2.02 0.00 0.00 63.50 61.81 2opu n PRO 27 Cb 0.51 -2.08 0.64 0.00 -0.02 0.00 0.00 33.50 32.54 2opu n PRO 27 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2opu h ASP 28 N 1.18 0.00 0.84 2.55 2.03 -1.90 0.36 116.42 121.48 2opu h ASP 28 Ca -0.46 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 55.70 2opu h ASP 28 Cb 1.35 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.83 2opu h ASP 28 CO 0.55 0.09 -0.68 1.23 -1.03 0.00 0.00 179.24 179.39 2opu h GLY 29 N 0.30 0.00 1.90 7.15 0.00 -2.00 -2.91 103.07 107.52 2opu h GLY 29 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.12 2opu h GLY 29 CO 0.01 0.00 -0.99 -0.33 0.00 0.00 0.00 176.54 175.24 2opu h MET 30 N 0.00 0.08 -0.16 4.80 2.86 -0.71 -2.66 114.93 119.13 2opu h MET 30 Ca -0.01 -0.11 -0.13 0.00 -2.06 0.00 0.00 59.70 57.39 2opu h MET 30 Cb 1.28 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.97 2opu h MET 30 CO 0.09 0.99 -0.46 -0.24 1.06 0.00 0.00 176.91 178.35 2opu h VAL 31 N 0.03 1.32 -0.06 -2.22 3.04 -0.99 0.19 116.25 117.56 2opu h VAL 31 Ca -0.04 -1.66 0.01 0.00 -1.01 0.00 0.00 66.70 64.00 2opu h VAL 31 Cb 1.70 1.71 -0.00 0.00 -2.01 0.00 0.00 31.29 32.68 2opu h VAL 31 CO 0.14 0.51 0.04 1.23 -1.01 0.00 0.00 177.57 178.47 2opu h GLY 32 N 1.19 0.05 1.22 3.17 0.00 -1.32 -1.97 103.07 105.41 2opu h GLY 32 Ca 0.02 -0.02 -0.11 0.00 0.00 0.00 0.00 47.33 47.23 2opu h GLY 32 CO 0.08 0.02 -1.08 1.41 0.00 0.00 0.00 176.54 176.97 2opu h LEU 33 N 0.05 0.00 -0.84 3.11 3.38 -1.02 -2.97 115.31 117.02 2opu h LEU 33 Ca 0.02 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.87 2opu h LEU 33 Cb 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 2opu h LEU 33 CO -0.00 0.39 -0.57 -0.29 0.09 0.00 0.00 178.44 178.05 2opu h ILE 34 N 0.00 1.41 0.00 1.22 6.09 0.05 -0.85 117.51 125.43 2opu h ILE 34 Ca -0.09 -1.97 0.00 0.00 -1.37 0.00 0.00 64.86 61.44 2opu h ILE 34 Cb 1.37 2.05 0.00 0.00 0.47 0.00 0.00 36.82 40.71 2opu h ILE 34 CO 0.04 0.56 -0.23 2.30 -3.07 0.00 0.00 178.15 177.75 2opu n ILE 35 N -3.86 0.51 0.00 2.19 -5.35 -0.81 -3.51 119.36 108.52 2opu n ILE 35 Ca -0.01 -0.28 0.00 0.00 -0.27 0.00 0.00 62.75 62.19 2opu n ILE 35 Cb 0.58 -0.41 0.00 0.00 -1.74 0.00 0.00 39.64 38.07 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 1.32 0.65 0.00 3.28 0.00 -0.33 -2.00 105.19 108.11 2opu n GLY 36 Ca 0.05 0.53 0.13 0.00 0.00 0.00 0.00 46.02 46.74 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 0.84 0.00 1.61 1.85 -1.26 -4.75 116.66 114.95 2opu n ARG 37 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2opu n ARG 37 Cb 0.00 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 29.91 2opu n ARG 37 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2opu n GLY 38 N 0.67 1.48 0.00 2.89 0.00 -1.07 -4.88 105.19 104.29 2opu n GLY 38 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 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 -0.13 0.89 0.31 -0.02 0.00 -0.85 -5.01 105.19 100.39 2opu n GLY 39 Ca 0.00 0.05 0.17 0.00 0.00 0.00 0.00 46.02 46.24 2opu n GLY 39 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2opu h GLU 40 N 0.00 0.00 0.29 1.61 4.39 -1.90 -3.00 114.58 115.97 2opu h GLU 40 Ca 0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 2opu h GLU 40 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2opu h GLU 40 CO 0.00 0.00 -0.14 0.37 -1.16 0.00 0.00 179.01 178.08 2opu h GLN 41 N 0.00 -0.38 -0.41 2.33 4.15 -1.80 0.19 115.11 119.19 2opu h GLN 41 Ca 0.01 0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.45 2opu h GLN 41 Cb 0.10 0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 2opu h GLN 41 CO -0.00 -0.25 0.21 0.97 -1.93 0.00 0.00 178.83 177.83 2opu h ILE 42 N -0.39 1.17 -0.87 2.39 6.09 -1.56 -0.92 117.51 123.41 2opu h ILE 42 Ca -0.04 -0.45 0.13 0.00 -1.37 0.00 0.00 64.86 63.13 2opu h ILE 42 Cb 0.30 0.71 -0.07 0.00 0.47 0.00 0.00 36.82 38.23 2opu h ILE 42 CO 0.07 0.18 0.56 0.78 -3.07 0.00 0.00 178.15 176.66 2opu h ASN 43 N 0.53 0.67 -0.19 2.19 2.35 -1.48 0.22 115.58 119.86 2opu h ASN 43 Ca 0.14 0.03 -0.17 0.00 -0.55 0.00 0.00 56.30 55.76 2opu h ASN 43 Cb 0.09 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.36 2opu h ASN 43 CO -0.02 0.36 -0.54 0.11 -1.65 0.00 0.00 177.43 175.69 2opu h LYS 44 N 0.72 0.70 -0.06 0.81 1.57 -0.06 -2.19 116.57 118.06 2opu h LYS 44 Ca 0.43 -0.50 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 2opu h LYS 44 Cb 0.63 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.02 2opu h LYS 44 CO -0.19 1.12 -0.03 0.82 -0.57 0.00 0.00 179.45 180.60 2opu h ILE 45 N 0.40 1.32 -0.08 1.86 1.08 0.25 0.57 117.51 122.92 2opu h ILE 45 Ca -0.01 -1.02 -0.08 0.00 -0.39 0.00 0.00 64.86 63.35 2opu h ILE 45 Cb 1.16 1.87 -0.01 0.00 -3.07 0.00 0.00 36.82 36.77 2opu h ILE 45 CO 0.12 0.28 -0.33 0.06 -0.69 0.00 0.00 178.15 177.59 2opu h GLN 46 N -0.24 0.15 -0.07 2.37 -0.00 -0.74 -1.49 115.11 115.09 2opu h GLN 46 Ca 0.01 -0.06 -0.20 0.00 -0.00 0.00 0.00 58.65 58.40 2opu h GLN 46 Cb 0.46 -0.01 0.00 0.00 -0.00 0.00 0.00 27.48 27.93 2opu h GLN 46 CO 0.01 0.47 -0.80 0.37 -0.00 0.00 0.00 178.83 178.88 2opu h GLN 47 N 0.14 0.49 -0.15 0.06 -0.00 -1.34 0.34 115.11 114.64 2opu h GLN 47 Ca 0.02 -0.43 -0.06 0.00 -0.00 0.00 0.00 58.65 58.17 2opu h GLN 47 Cb 0.65 0.10 -0.01 0.00 0.00 0.00 0.00 27.48 28.22 2opu h GLN 47 CO 0.05 1.07 -0.19 0.22 0.00 0.00 0.00 178.83 179.98 2opu h ASP 48 N 0.32 0.24 0.04 -0.69 3.58 -0.29 -3.24 116.42 116.38 2opu h ASP 48 Ca -0.05 -0.06 -0.38 0.00 0.42 0.00 0.00 57.03 56.96 2opu h ASP 48 Cb 1.40 -0.06 -0.05 0.00 1.72 0.00 0.00 39.33 42.33 2opu h ASP 48 CO 0.14 0.45 -2.32 -1.54 -2.88 0.00 0.00 179.24 173.09 2opu n SER 49 N -4.22 2.03 0.00 2.28 3.41 -0.61 -5.01 113.62 111.50 2opu n SER 49 Ca -0.01 -0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 2opu n SER 49 Cb 0.32 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.70 2opu n SER 49 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2opu n GLY 50 N 2.15 1.16 3.74 5.00 0.00 0.11 -4.51 105.19 112.84 2opu n GLY 50 Ca -0.42 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.20 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 2.29 3.21 -2.71 0.00 4.76 0.35 -4.58 118.16 121.48 2opu n LYS 52 Ca 0.01 -3.13 -0.43 0.00 -2.87 0.00 0.00 58.31 51.90 2opu n LYS 52 Cb 0.48 -3.16 -0.03 0.00 -1.84 0.00 0.00 35.03 30.48 2opu n LYS 52 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2opu s VAL 53 N 2.18 4.24 -0.37 -0.18 1.01 -1.26 -3.40 120.40 122.61 2opu s VAL 53 Ca 0.45 0.66 -0.11 0.00 0.00 0.00 0.00 61.98 62.98 2opu s VAL 53 Cb 0.10 -4.61 0.02 0.00 0.00 0.00 0.00 36.38 31.89 2opu s VAL 53 CO -0.03 -1.16 0.21 -1.58 0.00 0.00 0.00 175.10 172.54 2opu s GLN 54 N 4.37 2.88 -0.41 2.72 2.00 -0.57 -4.98 119.66 125.67 2opu s GLN 54 Ca 0.38 -1.05 -0.29 0.00 -2.00 0.00 0.00 55.36 52.40 2opu s GLN 54 Cb -0.10 -3.73 0.02 0.00 0.80 0.00 0.00 33.01 30.01 2opu s GLN 54 CO 0.24 -0.68 1.13 0.42 -0.50 0.00 0.00 175.29 175.89 2opu s ILE 55 N 1.56 4.31 -0.56 -2.34 -1.09 -1.26 -1.41 121.20 120.41 2opu s ILE 55 Ca 0.02 1.42 -0.19 0.00 -2.23 0.00 0.00 60.65 59.67 2opu s ILE 55 Cb -0.19 -4.51 0.09 0.00 -1.58 0.00 0.00 42.46 36.26 2opu s ILE 55 CO 0.07 -0.79 0.66 -0.44 -1.23 0.00 0.00 174.94 173.21 2opu s SER 56 N 2.20 6.20 0.44 3.58 0.01 0.78 -4.91 113.70 122.00 2opu s SER 56 Ca 0.48 -1.26 0.24 0.00 1.31 0.00 0.00 55.95 56.72 2opu s SER 56 Cb -0.09 -2.29 0.61 0.00 0.21 0.00 0.00 66.02 64.46 2opu s SER 56 CO 0.25 -1.02 1.70 1.55 0.41 0.00 0.00 173.24 176.13 2opu h PRO 57 N 9.10 0.00 0.21 12.44 0.13 -1.94 -2.94 132.00 149.00 2opu h PRO 57 Ca -0.29 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.56 2opu h PRO 57 Cb 1.09 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.25 2opu h PRO 57 CO 1.05 0.11 -1.22 -0.44 -0.23 0.00 0.00 178.00 177.27 2opu h ASP 58 N 0.00 0.71 0.00 1.44 3.32 -1.93 -3.47 116.42 116.49 2opu h ASP 58 Ca -0.00 -0.93 0.00 0.00 0.02 0.00 0.00 57.03 56.12 2opu h ASP 58 Cb 0.91 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 40.23 2opu h ASP 58 CO 0.01 1.59 0.00 -0.24 -1.72 0.00 0.00 179.24 178.88 2opu n SER 59 N -3.88 0.00 0.00 6.45 2.88 -1.23 -4.84 113.62 113.00 2opu n SER 59 Ca -0.16 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.38 2opu n SER 59 Cb 1.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.46 2opu n SER 59 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2opu n GLY 60 N 0.00 2.25 0.03 0.46 0.00 -1.26 -4.22 105.19 102.45 2opu n GLY 60 Ca 0.00 -0.16 0.14 0.00 0.00 0.00 0.00 46.02 46.00 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 -1.27 3.34 -0.02 0.00 -1.26 -4.83 105.19 101.15 2opu n GLY 61 Ca 0.00 -0.21 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.83 2.23 0.43 0.99 1.43 -1.26 -5.00 118.68 114.67 2opu s LEU 62 Ca 0.18 -0.64 0.23 0.00 -1.03 0.00 0.00 54.13 52.87 2opu s LEU 62 Cb 0.19 -1.18 0.44 0.00 0.03 0.00 0.00 46.19 45.67 2opu s LEU 62 CO 0.55 0.20 1.64 1.55 0.23 0.00 0.00 176.35 180.52 2opu h PRO 63 N 4.43 0.00 0.00 1.29 0.13 -1.96 -3.46 132.00 132.43 2opu h PRO 63 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2opu h PRO 63 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2opu h PRO 63 CO 0.42 0.07 0.00 -0.85 -0.23 0.00 0.00 178.00 177.40 2opu n GLU 64 N -3.12 1.65 -3.47 0.86 0.28 -1.26 -4.87 120.64 110.70 2opu n GLU 64 Ca 0.03 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.70 2opu n GLU 64 Cb 0.53 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.34 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 0.26 3.82 -0.00 3.44 6.06 0.93 -4.76 118.95 128.71 2opu s ARG 65 Ca 0.00 0.27 0.07 0.00 -2.50 0.00 0.00 55.73 53.57 2opu s ARG 65 Cb 0.00 -2.86 -0.03 0.00 0.06 0.00 0.00 34.95 32.13 2opu s ARG 65 CO 0.00 0.45 -0.22 -1.54 -2.50 0.00 0.00 175.30 171.50 2opu s SER 66 N -1.99 3.44 -0.05 -2.12 1.04 -1.11 -0.73 113.70 112.17 2opu s SER 66 Ca 0.39 -0.42 -0.01 0.00 0.48 0.00 0.00 55.95 56.39 2opu s SER 66 Cb -0.13 -0.50 0.03 0.00 0.10 0.00 0.00 66.02 65.52 2opu s SER 66 CO 0.20 0.30 0.03 -0.69 0.98 0.00 0.00 173.24 174.06 2opu s VAL 67 N -0.73 0.15 -0.19 5.02 1.01 -0.46 -0.16 120.40 125.05 2opu s VAL 67 Ca 0.11 0.25 -0.18 0.00 0.00 0.00 0.00 61.98 62.17 2opu s VAL 67 Cb -0.10 -0.34 -0.04 0.00 0.00 0.00 0.00 36.38 35.90 2opu s VAL 67 CO 0.01 0.21 0.48 -0.94 0.00 0.00 0.00 175.10 174.86 2opu s SER 68 N 1.97 6.55 -0.25 3.32 1.04 -0.50 -0.07 113.70 125.76 2opu s SER 68 Ca 0.04 0.65 -0.08 0.00 0.48 0.00 0.00 55.95 57.04 2opu s SER 68 Cb -0.12 -2.27 -0.03 0.00 0.10 0.00 0.00 66.02 63.69 2opu s SER 68 CO -0.04 -0.12 0.09 -0.76 0.98 0.00 0.00 173.24 173.39 2opu s LEU 69 N 1.37 3.53 0.05 2.42 2.01 0.10 -1.51 118.68 126.65 2opu s LEU 69 Ca 0.23 -0.18 -0.14 0.00 0.01 0.00 0.00 54.13 54.05 2opu s LEU 69 Cb -0.15 -1.95 0.02 0.00 0.01 0.00 0.00 46.19 44.12 2opu s LEU 69 CO 0.09 -0.04 0.31 -0.89 1.01 0.00 0.00 176.35 176.83 2opu s THR 70 N 1.64 0.08 0.00 5.49 2.01 -1.22 -1.63 115.64 122.02 2opu s THR 70 Ca 0.06 -0.70 0.00 0.00 0.31 0.00 0.00 61.69 61.36 2opu s THR 70 Cb -0.15 -0.99 0.00 0.00 0.01 0.00 0.00 72.50 71.37 2opu s THR 70 CO 0.05 -0.39 0.00 0.61 -0.69 0.00 0.00 174.62 174.20 2opu n GLY 71 N 0.45 -0.56 3.54 4.40 0.00 0.63 0.13 105.19 113.79 2opu n GLY 71 Ca -0.18 0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.74 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 -1.00 2.95 0.25 4.61 0.00 -1.26 -0.75 121.76 126.56 2opu s ALA 72 Ca 0.00 -2.03 -0.05 0.00 0.00 0.00 0.00 51.96 49.88 2opu s ALA 72 Cb 0.00 -0.13 0.48 0.00 0.00 0.00 0.00 23.12 23.47 2opu s ALA 72 CO 0.00 0.12 1.66 -1.35 0.00 0.00 0.00 175.76 176.19 2opu h PRO 73 N 2.04 0.19 -0.01 0.00 0.11 -1.97 0.40 132.00 132.75 2opu h PRO 73 Ca -0.42 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.59 2opu h PRO 73 Cb 1.25 -0.04 0.01 0.00 0.11 0.00 0.00 31.00 32.33 2opu h PRO 73 CO 0.68 0.12 -0.34 1.49 -0.21 0.00 0.00 178.00 179.75 2opu h GLU 74 N 0.19 0.24 -0.12 1.05 4.81 -1.96 -3.19 114.58 115.60 2opu h GLU 74 Ca 0.43 -0.25 -0.00 0.00 -0.13 0.00 0.00 59.36 59.41 2opu h GLU 74 Cb 0.77 0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.21 2opu h GLU 74 CO -0.58 0.96 0.07 0.77 -0.73 0.00 0.00 179.01 179.49 2opu h SER 75 N -0.37 0.15 0.79 1.04 0.02 -1.50 -1.16 113.55 112.52 2opu h SER 75 Ca -0.04 -0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 60.79 2opu h SER 75 Cb 1.07 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.56 2opu h SER 75 CO 0.07 0.19 -0.21 1.62 -1.14 0.00 0.00 176.83 177.35 2opu h VAL 76 N 0.11 0.58 -0.03 2.27 3.04 -0.41 -1.51 116.25 120.30 2opu h VAL 76 Ca 0.04 -1.03 -0.10 0.00 -1.01 0.00 0.00 66.70 64.61 2opu h VAL 76 Cb 0.07 1.69 0.01 0.00 -2.01 0.00 0.00 31.29 31.04 2opu h VAL 76 CO -0.01 0.21 -0.37 -0.61 -1.01 0.00 0.00 177.57 175.78 2opu h GLN 77 N 0.00 0.31 -0.19 4.17 4.15 -1.41 -0.98 115.11 121.16 2opu h GLN 77 Ca -0.00 -0.29 0.02 0.00 0.77 0.00 0.00 58.65 59.14 2opu h GLN 77 Cb 0.67 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.41 2opu h GLN 77 CO 0.03 0.97 0.07 -0.22 -1.93 0.00 0.00 178.83 177.75 2opu h LYS 78 N -0.25 0.16 0.16 1.69 1.63 -0.97 0.13 116.57 119.13 2opu h LYS 78 Ca -0.04 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.75 2opu h LYS 78 Cb 1.07 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.66 2opu h LYS 78 CO 0.08 0.11 -0.11 0.00 -3.45 0.00 0.00 179.45 176.07 2opu h ALA 79 N 1.11 -0.26 0.00 5.00 0.00 -1.33 -2.68 119.26 121.10 2opu h ALA 79 Ca 0.08 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2opu h ALA 79 Cb 0.04 0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2opu h ALA 79 CO -0.07 -0.65 -0.08 0.87 0.00 0.00 0.00 179.25 179.31 2opu h LYS 80 N -0.27 0.00 -0.06 0.00 1.57 -0.98 -1.97 116.57 114.84 2opu h LYS 80 Ca -0.01 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.62 2opu h LYS 80 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 2opu h LYS 80 CO 0.00 0.08 -0.61 0.00 -0.57 0.00 0.00 179.45 178.35 2opu h MET 81 N 0.00 0.21 -0.14 3.15 -0.00 -0.42 0.38 114.93 118.12 2opu h MET 81 Ca -0.00 -0.15 -0.03 0.00 -0.00 0.00 0.00 59.70 59.52 2opu h MET 81 Cb 0.48 0.02 -0.00 0.00 -0.00 0.00 0.00 31.60 32.10 2opu h MET 81 CO 0.01 0.76 -0.01 0.52 -0.00 0.00 0.00 176.91 178.18 2opu h MET 82 N 0.16 0.25 0.23 -0.10 2.86 -1.14 -2.59 114.93 114.59 2opu h MET 82 Ca -0.01 -0.09 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 2opu h MET 82 Cb 1.11 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.76 2opu h MET 82 CO 0.09 0.51 -0.11 -0.07 1.06 0.00 0.00 176.91 178.40 2opu h LEU 83 N -0.03 -0.26 -1.17 1.22 -0.00 -1.21 -2.68 115.31 111.18 2opu h LEU 83 Ca 0.04 -0.00 0.10 0.00 -0.00 0.00 0.00 57.88 58.01 2opu h LEU 83 Cb 0.41 0.07 -0.07 0.00 -0.00 0.00 0.00 40.66 41.07 2opu h LEU 83 CO 0.01 -0.17 0.59 -0.78 -0.00 0.00 0.00 178.44 178.08 2opu h ASP 84 N -0.32 0.83 0.84 -0.43 3.58 -0.32 0.24 116.42 120.84 2opu h ASP 84 Ca -0.03 0.02 -0.04 0.00 0.42 0.00 0.00 57.03 57.40 2opu h ASP 84 Cb 0.25 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.15 2opu h ASP 84 CO 0.05 0.49 -0.48 -0.78 -2.88 0.00 0.00 179.24 175.64 2opu h ASP 85 N 0.92 -1.19 -0.02 2.28 3.58 -1.14 -0.25 116.42 120.60 2opu h ASP 85 Ca 0.42 0.06 -0.19 0.00 0.42 0.00 0.00 57.03 57.74 2opu h ASP 85 Cb 0.40 0.34 0.00 0.00 1.72 0.00 0.00 39.33 41.78 2opu h ASP 85 CO -0.18 -0.76 -0.68 0.40 -2.88 0.00 0.00 179.24 175.14 2opu h ILE 86 N -1.22 1.31 0.00 2.25 5.03 -1.20 -2.79 117.51 120.89 2opu h ILE 86 Ca -0.11 -1.94 -0.05 0.00 -0.12 0.00 0.00 64.86 62.64 2opu h ILE 86 Cb 0.96 1.91 -0.01 0.00 -3.03 0.00 0.00 36.82 36.66 2opu h ILE 86 CO 0.14 0.61 -0.23 0.58 -0.68 0.00 0.00 178.15 178.56 2opu h VAL 87 N 0.46 0.78 -0.01 1.67 2.07 -0.56 -1.38 116.25 119.29 2opu h VAL 87 Ca -0.02 -0.95 -0.21 0.00 0.82 0.00 0.00 66.70 66.33 2opu h VAL 87 Cb 1.27 1.58 -0.00 0.00 -1.52 0.00 0.00 31.29 32.62 2opu h VAL 87 CO 0.13 0.23 -0.89 -1.28 0.02 0.00 0.00 177.57 175.78 2opu h SER 88 N 0.00 0.43 1.12 0.57 0.87 -0.87 0.37 113.55 116.05 2opu h SER 88 Ca -0.00 -0.34 0.00 0.00 -1.23 0.00 0.00 61.79 60.22 2opu h SER 88 Cb 0.56 -0.13 0.00 0.00 -0.44 0.00 0.00 62.40 62.39 2opu h SER 88 CO 0.03 1.13 0.00 -2.11 -0.53 0.00 0.00 176.83 175.35 2opu n ARG 89 N -3.73 0.15 -0.09 2.24 1.85 -0.84 -2.86 116.66 113.38 2opu n ARG 89 Ca -0.05 0.19 -0.15 0.00 -1.00 0.00 0.00 57.85 56.83 2opu n ARG 89 Cb 0.81 -1.70 -0.05 0.00 -1.05 0.00 0.00 32.46 30.47 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 1.04 -0.44 1.87 2.89 0.00 -0.58 -4.61 105.19 105.36 2opu n GLY 90 Ca 0.05 -0.22 -0.16 0.00 0.00 0.00 0.00 46.02 45.69 2opu n GLY 90 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2opu n ARG 91 N -4.22 1.78 -2.64 1.61 5.12 0.13 -4.82 116.66 113.62 2opu n ARG 91 Ca -0.26 -1.54 -0.43 0.00 -1.93 0.00 0.00 57.85 53.69 2opu n ARG 91 Cb 0.60 -1.60 -0.01 0.00 -1.16 0.00 0.00 32.46 30.29 2opu n ARG 91 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2opu s GLY 92 N 0.18 1.66 0.00 -0.13 0.00 -1.13 -4.87 107.32 103.03 2opu s GLY 92 Ca 0.30 -2.81 0.00 0.00 0.00 0.00 0.00 44.72 42.21 2opu s GLY 92 CO -0.00 2.59 0.00 0.61 0.00 0.00 0.00 173.10 176.30