#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 -0.36 7.28 7.64 -1.26 -4.94 113.62 121.98 2opu n SER 6 Ca 0.00 -0.67 0.00 0.00 1.01 0.00 0.00 58.87 59.21 2opu n SER 6 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2opu n SER 6 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2opu n SER 7 N -2.02 -2.77 -4.62 6.43 7.64 0.23 -4.65 113.62 113.87 2opu n SER 7 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.45 2opu n SER 7 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 2opu n SER 7 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2opu s GLN 8 N 0.00 3.52 -0.46 1.43 0.74 -1.26 -0.58 119.66 123.05 2opu s GLN 8 Ca 0.00 1.90 -0.20 0.00 0.05 0.00 0.00 55.36 57.10 2opu s GLN 8 Cb 0.00 -4.21 0.03 0.00 1.10 0.00 0.00 33.01 29.93 2opu s GLN 8 CO 0.00 -1.64 0.65 -0.51 -0.55 0.00 0.00 175.29 173.24 2opu s LEU 9 N 6.53 4.59 -0.70 3.68 2.01 0.10 -4.94 118.68 129.95 2opu s LEU 9 Ca 0.86 -0.48 0.05 0.00 0.01 0.00 0.00 54.13 54.56 2opu s LEU 9 Cb -0.30 -2.66 0.23 0.00 0.01 0.00 0.00 46.19 43.47 2opu s LEU 9 CO 0.34 -0.83 0.74 0.61 1.01 0.00 0.00 176.35 178.22 2opu n GLY 10 N 5.08 4.61 0.15 -3.19 0.00 -1.26 -1.83 105.19 108.74 2opu n GLY 10 Ca -0.03 -2.71 -0.07 0.00 0.00 0.00 0.00 46.02 43.21 2opu n GLY 10 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2opu h PRO 11 N 4.68 -0.26 -6.13 1.61 0.11 -1.95 -3.46 132.00 126.60 2opu h PRO 11 Ca 0.18 0.02 -0.61 0.00 0.11 0.00 0.00 66.00 65.70 2opu h PRO 11 Cb 0.69 0.06 -0.07 0.00 0.11 0.00 0.00 31.00 31.79 2opu h PRO 11 CO 0.84 -0.02 -0.57 0.96 -0.21 0.00 0.00 178.00 179.01 2opu s ILE 12 N -2.78 4.73 -0.85 4.15 -5.25 -1.26 -5.05 121.20 114.88 2opu s ILE 12 Ca -0.08 -0.76 0.24 0.00 -0.99 0.00 0.00 60.65 59.07 2opu s ILE 12 Cb 0.00 -3.32 -0.01 0.00 2.95 0.00 0.00 42.46 42.08 2opu s ILE 12 CO 0.26 0.06 1.31 1.57 -1.79 0.00 0.00 174.94 176.36 2opu n HIS 13 N 0.19 0.17 -0.96 1.37 -0.00 -1.26 -4.54 115.22 110.19 2opu n HIS 13 Ca -0.08 0.05 -0.35 0.00 -0.00 0.00 0.00 57.72 57.34 2opu n HIS 13 Cb 0.52 -0.37 0.04 0.00 -0.00 0.00 0.00 29.99 30.18 2opu n HIS 13 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 2opu n PRO 14 N -1.72 0.00 -1.33 1.57 -0.02 -1.26 -4.85 135.00 127.39 2opu n PRO 14 Ca 0.04 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.12 2opu n PRO 14 Cb 0.38 -0.96 0.01 0.00 -0.02 0.00 0.00 33.50 32.90 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 2.41 0.17 -0.03 0.52 -0.02 -1.26 -4.57 135.00 132.22 2opu n PRO 15 Ca -0.02 0.06 0.00 0.00 -2.02 0.00 0.00 63.50 61.53 2opu n PRO 15 Cb 0.57 -1.19 0.00 0.00 -0.02 0.00 0.00 33.50 32.85 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 1.05 0.52 0.00 0.52 -0.04 -1.26 -3.44 135.00 132.34 2opu n PRO 16 Ca 0.10 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.69 2opu n PRO 16 Cb 0.44 -1.24 0.39 0.00 -0.04 0.00 0.00 33.50 33.05 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 0.85 1.79 0.00 0.54 -4.01 -1.08 -1.01 116.66 113.74 2opu n ARG 17 Ca 0.00 -1.20 0.00 0.00 -1.04 0.00 0.00 57.85 55.61 2opu n ARG 17 Cb 0.26 -1.48 0.00 0.00 -3.04 0.00 0.00 32.46 28.20 2opu n ARG 17 CO 0.00 0.00 0.00 -2.37 -3.04 0.00 0.00 177.63 172.22 2opu n THR 18 N 0.44 0.00 0.00 8.89 5.66 -1.22 -4.69 114.28 123.36 2opu n THR 18 Ca 0.17 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.17 2opu n THR 18 Cb 0.42 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.20 2opu n THR 18 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 2opu n SER 19 N 0.00 0.00 -3.82 1.09 3.41 -1.24 -4.69 113.62 108.37 2opu n SER 19 Ca 0.00 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.20 2opu n SER 19 Cb 0.08 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.99 2opu n SER 19 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 2opu n MET 20 N -0.58 1.84 -2.62 4.33 0.00 -1.23 -4.42 117.12 114.43 2opu n MET 20 Ca 0.00 -2.13 -0.43 0.00 0.00 0.00 0.00 57.70 55.14 2opu n MET 20 Cb 0.00 -3.12 -0.02 0.00 0.00 0.00 0.00 33.22 30.08 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 5.47 4.63 -0.28 3.17 2.01 -0.76 -4.79 115.64 125.08 2opu s THR 21 Ca 0.57 1.95 -0.18 0.00 0.31 0.00 0.00 61.69 64.34 2opu s THR 21 Cb 0.12 -4.26 -0.02 0.00 0.01 0.00 0.00 72.50 68.35 2opu s THR 21 CO 0.08 -0.14 0.52 -0.70 -0.69 0.00 0.00 174.62 173.69 2opu s GLU 22 N 3.05 3.97 -0.47 4.92 2.56 -0.28 0.02 118.70 132.47 2opu s GLU 22 Ca 0.46 0.22 -0.16 0.00 0.00 0.00 0.00 54.97 55.49 2opu s GLU 22 Cb -0.17 -3.69 0.06 0.00 2.00 0.00 0.00 34.13 32.34 2opu s GLU 22 CO 0.09 -0.42 0.42 -2.00 -0.56 0.00 0.00 175.26 172.80 2opu s GLU 23 N 2.34 3.01 -0.29 4.30 2.12 0.25 -0.33 118.70 130.11 2opu s GLU 23 Ca 0.21 -1.19 -0.18 0.00 0.36 0.00 0.00 54.97 54.16 2opu s GLU 23 Cb -0.16 -4.10 -0.02 0.00 0.26 0.00 0.00 34.13 30.12 2opu s GLU 23 CO 0.10 -1.01 0.53 0.71 -0.54 0.00 0.00 175.26 175.05 2opu s TYR 24 N 1.84 3.24 -0.85 5.30 1.51 0.60 -0.60 117.35 128.39 2opu s TYR 24 Ca 0.07 0.54 -0.24 0.00 -1.01 0.00 0.00 57.07 56.42 2opu s TYR 24 Cb -0.22 -2.81 0.05 0.00 -0.11 0.00 0.00 41.96 38.87 2opu s TYR 24 CO 0.08 -0.36 1.28 1.03 -1.11 0.00 0.00 175.55 176.48 2opu s ARG 25 N 2.38 3.36 -0.20 -0.62 0.52 -1.26 -1.91 118.95 121.22 2opu s ARG 25 Ca 0.21 -0.78 -0.02 0.00 -0.52 0.00 0.00 55.73 54.62 2opu s ARG 25 Cb -0.15 -4.68 0.00 0.00 0.52 0.00 0.00 34.95 30.64 2opu s ARG 25 CO 0.10 -2.09 -0.10 0.54 0.02 0.00 0.00 175.30 173.77 2opu s VAL 26 N 4.95 2.92 0.77 3.52 0.11 -0.80 -4.93 120.40 126.95 2opu s VAL 26 Ca 0.37 -0.65 -0.15 0.00 -2.93 0.00 0.00 61.98 58.62 2opu s VAL 26 Cb -0.06 -2.29 0.01 0.00 -1.53 0.00 0.00 36.38 32.51 2opu s VAL 26 CO 0.03 0.47 0.80 -2.65 -3.33 0.00 0.00 175.10 170.42 2opu n PRO 27 N 4.61 0.25 -0.32 1.54 -0.02 -1.26 -0.20 135.00 139.59 2opu n PRO 27 Ca -0.19 0.14 0.01 0.00 -2.02 0.00 0.00 63.50 61.44 2opu n PRO 27 Cb 0.51 -2.09 0.19 0.00 -0.02 0.00 0.00 33.50 32.09 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 -0.63 1.00 0.51 2.55 3.58 -1.89 0.45 116.42 121.99 2opu h ASP 28 Ca -0.46 -0.01 -0.14 0.00 0.42 0.00 0.00 57.03 56.84 2opu h ASP 28 Cb 1.32 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 42.13 2opu h ASP 28 CO 0.43 0.69 -0.61 1.23 -2.88 0.00 0.00 179.24 178.10 2opu h GLY 29 N 1.16 0.12 2.00 -0.78 0.00 -1.98 -2.81 103.07 100.77 2opu h GLY 29 Ca 0.37 -0.15 -0.18 0.00 0.00 0.00 0.00 47.33 47.37 2opu h GLY 29 CO -0.11 0.13 -0.87 -0.33 0.00 0.00 0.00 176.54 175.36 2opu h MET 30 N 0.08 0.00 -0.01 4.80 2.86 -1.18 -1.86 114.93 119.61 2opu h MET 30 Ca -0.01 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.49 2opu h MET 30 Cb 1.10 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.74 2opu h MET 30 CO 0.09 0.87 -0.67 -0.24 1.06 0.00 0.00 176.91 178.01 2opu h VAL 31 N 0.00 1.46 0.00 -2.22 3.04 -0.25 0.33 116.25 118.62 2opu h VAL 31 Ca -0.01 -2.25 -0.02 0.00 -1.01 0.00 0.00 66.70 63.41 2opu h VAL 31 Cb 1.57 2.21 -0.00 0.00 -2.01 0.00 0.00 31.29 33.05 2opu h VAL 31 CO 0.11 0.65 -0.09 1.23 -1.01 0.00 0.00 177.57 178.46 2opu h GLY 32 N 1.88 0.00 1.09 3.17 0.00 -1.25 -2.60 103.07 105.36 2opu h GLY 32 Ca -0.01 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.04 2opu h GLY 32 CO 0.09 0.00 -1.63 -2.00 0.00 0.00 0.00 176.54 173.00 2opu h LEU 33 N 0.00 0.01 -0.90 3.11 5.85 -0.49 -3.24 115.31 119.65 2opu h LEU 33 Ca -0.00 -0.01 -0.08 0.00 0.84 0.00 0.00 57.88 58.63 2opu h LEU 33 Cb 0.45 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 2opu h LEU 33 CO 0.01 1.01 -0.39 -0.29 -0.34 0.00 0.00 178.44 178.45 2opu h ILE 34 N 0.00 0.90 0.00 4.05 6.09 -0.15 0.14 117.51 128.53 2opu h ILE 34 Ca -0.26 -1.56 0.00 0.00 -1.37 0.00 0.00 64.86 61.67 2opu h ILE 34 Cb 1.99 1.95 0.00 0.00 0.47 0.00 0.00 36.82 41.23 2opu h ILE 34 CO 0.09 0.38 -0.09 2.30 -3.07 0.00 0.00 178.15 177.75 2opu n ILE 35 N -3.53 0.57 0.00 2.19 -5.35 -1.00 -3.77 119.36 108.47 2opu n ILE 35 Ca -0.00 -0.29 0.00 0.00 -0.27 0.00 0.00 62.75 62.19 2opu n ILE 35 Cb 0.52 -0.52 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 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 1.31 0.21 0.00 3.28 0.00 0.03 -2.03 105.19 107.99 2opu n GLY 36 Ca 0.05 0.68 0.06 0.00 0.00 0.00 0.00 46.02 46.80 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 0.56 0.00 1.61 1.85 -1.26 -4.74 116.66 114.67 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 -1.31 0.00 0.00 -1.05 0.00 0.00 32.46 30.10 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 0.09 0.85 0.00 2.89 0.00 -0.86 -4.76 105.19 103.39 2opu n GLY 38 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -0.71 0.91 0.40 -0.02 0.00 -0.92 -4.97 105.19 99.87 2opu n GLY 39 Ca 0.00 0.02 0.20 0.00 0.00 0.00 0.00 46.02 46.23 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 0.44 0.53 1.61 4.81 -1.86 -2.98 114.58 117.13 2opu h GLU 40 Ca 0.00 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 2opu h GLU 40 Cb 0.00 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.29 2opu h GLU 40 CO 0.00 0.29 -0.26 0.37 -0.73 0.00 0.00 179.01 178.68 2opu h GLN 41 N 0.45 -0.70 -0.39 1.92 4.15 -1.86 0.15 115.11 118.84 2opu h GLN 41 Ca 0.54 0.05 0.02 0.00 0.77 0.00 0.00 58.65 60.03 2opu h GLN 41 Cb 1.28 0.16 -0.03 0.00 0.21 0.00 0.00 27.48 29.10 2opu h GLN 41 CO -0.25 -0.46 0.21 0.97 -1.93 0.00 0.00 178.83 177.37 2opu h ILE 42 N -0.72 1.01 -0.70 2.39 6.09 -1.61 0.14 117.51 124.10 2opu h ILE 42 Ca -0.07 -0.15 0.07 0.00 -1.37 0.00 0.00 64.86 63.34 2opu h ILE 42 Cb 0.56 0.54 -0.06 0.00 0.47 0.00 0.00 36.82 38.34 2opu h ILE 42 CO 0.11 0.08 0.39 0.78 -3.07 0.00 0.00 178.15 176.44 2opu h ASN 43 N 0.43 0.58 -0.49 2.19 2.35 -1.50 0.23 115.58 119.36 2opu h ASN 43 Ca 0.16 0.03 -0.05 0.00 -0.55 0.00 0.00 56.30 55.90 2opu h ASN 43 Cb 0.04 -0.08 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 2opu h ASN 43 CO -0.09 0.37 0.13 0.50 -1.65 0.00 0.00 177.43 176.68 2opu h LYS 44 N 0.71 0.78 0.07 0.81 3.64 0.01 0.05 116.57 122.64 2opu h LYS 44 Ca 0.32 -0.18 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2opu h LYS 44 Cb 0.22 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 2opu h LYS 44 CO -0.20 0.75 -0.03 0.82 -2.27 0.00 0.00 179.45 178.52 2opu h ILE 45 N 0.67 1.10 0.00 2.00 1.08 0.33 0.13 117.51 122.82 2opu h ILE 45 Ca 0.16 -0.58 -0.09 0.00 -0.39 0.00 0.00 64.86 63.96 2opu h ILE 45 Cb 0.31 1.48 -0.01 0.00 -3.07 0.00 0.00 36.82 35.53 2opu h ILE 45 CO -0.00 0.14 -0.41 0.06 -0.69 0.00 0.00 178.15 177.25 2opu h GLN 46 N -0.35 0.00 -0.11 2.37 -0.00 -0.59 0.69 115.11 117.11 2opu h GLN 46 Ca -0.01 0.00 -0.11 0.00 -0.00 0.00 0.00 58.65 58.53 2opu h GLN 46 Cb 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.79 2opu h GLN 46 CO 0.02 0.41 -0.35 0.37 -0.00 0.00 0.00 178.83 179.27 2opu h GLN 47 N 0.00 0.44 0.00 0.06 -0.00 -0.90 -1.10 115.11 113.62 2opu h GLN 47 Ca -0.00 -0.32 -0.00 0.00 -0.00 0.00 0.00 58.65 58.32 2opu h GLN 47 Cb 0.84 0.05 0.00 0.00 0.00 0.00 0.00 27.48 28.38 2opu h GLN 47 CO 0.05 0.94 -0.00 0.22 0.00 0.00 0.00 178.83 180.04 2opu h ASP 48 N 0.02 -0.00 -0.24 -0.69 3.58 -0.41 -3.20 116.42 115.47 2opu h ASP 48 Ca -0.01 -0.10 -0.06 0.00 0.42 0.00 0.00 57.03 57.28 2opu h ASP 48 Cb 0.97 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.02 2opu h ASP 48 CO 0.08 0.10 -0.08 0.77 -2.88 0.00 0.00 179.24 177.23 2opu h SER 49 N -0.10 0.49 0.00 2.28 4.64 -0.95 -3.47 113.55 116.43 2opu h SER 49 Ca -0.00 -0.38 0.00 0.00 -0.47 0.00 0.00 61.79 60.94 2opu h SER 49 Cb 0.10 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 2opu h SER 49 CO 0.00 0.76 0.00 0.61 -0.87 0.00 0.00 176.83 177.33 2opu n GLY 50 N -0.11 1.18 3.83 -0.77 0.00 -0.46 -4.36 105.19 104.49 2opu n GLY 50 Ca -0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.60 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 2.08 3.30 -2.97 0.00 5.02 0.11 -4.51 118.16 121.20 2opu n LYS 52 Ca -0.14 -3.63 -0.43 0.00 -2.02 0.00 0.00 58.31 52.09 2opu n LYS 52 Cb 0.53 -3.22 -0.05 0.00 -0.02 0.00 0.00 35.03 32.27 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 2.58 4.61 -0.33 -0.18 1.01 -1.26 -3.66 120.40 123.17 2opu s VAL 53 Ca 0.47 0.16 -0.13 0.00 0.00 0.00 0.00 61.98 62.47 2opu s VAL 53 Cb -0.00 -4.39 -0.02 0.00 0.00 0.00 0.00 36.38 31.96 2opu s VAL 53 CO 0.03 -0.88 0.27 -1.58 0.00 0.00 0.00 175.10 172.94 2opu s GLN 54 N 3.37 3.61 -0.99 2.72 2.00 -0.86 -4.91 119.66 124.60 2opu s GLN 54 Ca 0.26 -0.50 -0.21 0.00 -2.00 0.00 0.00 55.36 52.91 2opu s GLN 54 Cb -0.14 -3.78 0.08 0.00 0.80 0.00 0.00 33.01 29.97 2opu s GLN 54 CO 0.19 -0.42 1.33 0.42 -0.50 0.00 0.00 175.29 176.31 2opu s ILE 55 N 1.82 4.22 -0.36 -2.34 -1.09 -1.26 -1.75 121.20 120.45 2opu s ILE 55 Ca 0.08 -1.07 -0.25 0.00 -2.23 0.00 0.00 60.65 57.19 2opu s ILE 55 Cb -0.17 -4.96 0.01 0.00 -1.58 0.00 0.00 42.46 35.77 2opu s ILE 55 CO 0.11 -1.78 0.86 -0.44 -1.23 0.00 0.00 174.94 172.46 2opu s SER 56 N 4.48 6.64 0.21 3.58 0.01 -0.81 -4.92 113.70 122.88 2opu s SER 56 Ca 0.41 0.53 -0.03 0.00 1.31 0.00 0.00 55.95 58.17 2opu s SER 56 Cb -0.02 -2.43 0.17 0.00 0.21 0.00 0.00 66.02 63.94 2opu s SER 56 CO -0.10 -0.78 1.57 -0.65 0.41 0.00 0.00 173.24 173.69 2opu h PRO 57 N 8.41 0.63 -5.97 12.44 0.11 -1.94 -2.91 132.00 142.77 2opu h PRO 57 Ca -0.24 -0.33 -0.61 0.00 0.11 0.00 0.00 66.00 64.93 2opu h PRO 57 Cb 1.09 0.01 -0.11 0.00 0.11 0.00 0.00 31.00 32.10 2opu h PRO 57 CO 0.94 0.92 1.45 -0.51 -0.21 0.00 0.00 178.00 180.60 2opu s ASP 58 N -6.85 6.53 0.49 -2.05 1.11 -1.26 -4.79 116.67 109.84 2opu s ASP 58 Ca -0.08 -1.56 0.30 0.00 0.18 0.00 0.00 52.55 51.39 2opu s ASP 58 Cb 0.12 -2.55 1.12 0.00 1.07 0.00 0.00 42.92 42.68 2opu s ASP 58 CO 0.83 -1.44 1.88 0.28 1.18 0.00 0.00 175.17 177.90 2opu h SER 59 N 9.59 0.00 0.00 0.27 0.02 -1.79 -3.46 113.55 118.19 2opu h SER 59 Ca 0.21 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 2opu h SER 59 Cb 1.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.55 2opu h SER 59 CO 1.39 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 177.69 2opu n GLY 60 N 0.28 1.53 0.16 -3.77 0.00 -1.26 -2.92 105.19 99.20 2opu n GLY 60 Ca 0.02 0.14 0.03 0.00 0.00 0.00 0.00 46.02 46.20 2opu n GLY 60 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2opu h GLY 61 N 0.00 0.00 -4.44 -0.02 0.00 -2.02 -3.44 103.07 93.15 2opu h GLY 61 Ca 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.77 2opu h GLY 61 CO 0.00 0.00 0.05 1.08 0.00 0.00 0.00 176.54 177.67 2opu s LEU 62 N -6.99 4.55 0.00 3.11 2.01 -1.15 -4.95 118.68 115.27 2opu s LEU 62 Ca 0.01 1.41 0.28 0.00 0.01 0.00 0.00 54.13 55.84 2opu s LEU 62 Cb 0.10 -3.05 1.38 0.00 0.01 0.00 0.00 46.19 44.63 2opu s LEU 62 CO 0.72 0.25 1.92 -0.81 1.01 0.00 0.00 176.35 179.45 2opu n PRO 63 N 1.68 1.34 0.00 1.29 -0.04 -1.26 -4.50 135.00 133.51 2opu n PRO 63 Ca -0.08 -0.50 0.00 0.00 -0.04 0.00 0.00 63.50 62.87 2opu n PRO 63 Cb 0.50 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 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 -0.37 0.00 -4.11 0.54 0.28 -1.26 -4.85 120.64 110.87 2opu n GLU 64 Ca 0.20 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 57.05 2opu n GLU 64 Cb 0.23 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 32.98 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 0.64 -0.25 3.44 6.06 0.71 -4.62 118.95 126.99 2opu s ARG 65 Ca 0.00 -0.81 0.03 0.00 -2.50 0.00 0.00 55.73 52.44 2opu s ARG 65 Cb 0.00 -0.51 0.05 0.00 0.06 0.00 0.00 34.95 34.56 2opu s ARG 65 CO 0.00 0.10 -0.12 -1.54 -2.50 0.00 0.00 175.30 171.25 2opu s SER 66 N -1.58 4.29 -0.15 -2.12 1.04 -1.10 -1.90 113.70 112.19 2opu s SER 66 Ca -0.06 -1.29 -0.05 0.00 0.48 0.00 0.00 55.95 55.03 2opu s SER 66 Cb -0.10 -1.55 -0.03 0.00 0.10 0.00 0.00 66.02 64.44 2opu s SER 66 CO 0.01 -0.17 0.01 -0.69 0.98 0.00 0.00 173.24 173.38 2opu s VAL 67 N 1.13 4.33 -0.19 5.02 1.01 -0.80 -1.93 120.40 128.97 2opu s VAL 67 Ca -0.07 -0.21 -0.11 0.00 0.00 0.00 0.00 61.98 61.59 2opu s VAL 67 Cb -0.19 -2.90 -0.05 0.00 0.00 0.00 0.00 36.38 33.24 2opu s VAL 67 CO -0.06 0.51 0.16 -0.94 0.00 0.00 0.00 175.10 174.77 2opu s SER 68 N 0.04 6.25 -0.38 3.32 1.04 -0.72 -0.30 113.70 122.96 2opu s SER 68 Ca 0.03 0.28 -0.06 0.00 0.48 0.00 0.00 55.95 56.68 2opu s SER 68 Cb -0.13 -2.10 0.07 0.00 0.10 0.00 0.00 66.02 63.96 2opu s SER 68 CO 0.02 0.17 0.16 -0.76 0.98 0.00 0.00 173.24 173.81 2opu s LEU 69 N 0.37 4.75 -0.17 2.42 2.01 0.56 -2.03 118.68 126.59 2opu s LEU 69 Ca 0.09 -1.51 -0.08 0.00 0.01 0.00 0.00 54.13 52.64 2opu s LEU 69 Cb -0.11 -1.87 0.06 0.00 0.01 0.00 0.00 46.19 44.28 2opu s LEU 69 CO -0.01 -0.44 0.39 -0.89 1.01 0.00 0.00 176.35 176.41 2opu s THR 70 N 1.32 -0.14 0.00 5.49 2.01 -1.24 -1.12 115.64 121.95 2opu s THR 70 Ca 0.02 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.13 2opu s THR 70 Cb -0.22 -0.59 0.00 0.00 0.01 0.00 0.00 72.50 71.70 2opu s THR 70 CO 0.00 0.05 0.00 0.61 -0.69 0.00 0.00 174.62 174.59 2opu n GLY 71 N 4.48 -0.95 3.14 4.40 0.00 -0.18 0.06 105.19 116.15 2opu n GLY 71 Ca -0.20 0.60 -0.09 0.00 0.00 0.00 0.00 46.02 46.32 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 0.80 0.27 4.61 0.00 -1.26 -2.62 121.76 122.57 2opu s ALA 72 Ca 0.00 -1.41 0.01 0.00 0.00 0.00 0.00 51.96 50.56 2opu s ALA 72 Cb 0.00 0.66 0.62 0.00 0.00 0.00 0.00 23.12 24.40 2opu s ALA 72 CO 0.00 -0.44 1.71 -1.35 0.00 0.00 0.00 175.76 175.68 2opu h PRO 73 N 2.94 0.41 0.18 0.00 0.11 -1.99 0.45 132.00 134.09 2opu h PRO 73 Ca -0.35 -0.02 -0.31 0.00 0.11 0.00 0.00 66.00 65.43 2opu h PRO 73 Cb 1.18 -0.09 0.02 0.00 0.11 0.00 0.00 31.00 32.22 2opu h PRO 73 CO 0.61 0.27 -1.34 1.49 -0.21 0.00 0.00 178.00 178.82 2opu h GLU 74 N 0.42 0.46 0.07 1.05 4.57 -1.97 -3.26 114.58 115.91 2opu h GLU 74 Ca 0.50 -0.73 -0.24 0.00 -1.18 0.00 0.00 59.36 57.71 2opu h GLU 74 Cb 0.88 0.27 0.02 0.00 -0.16 0.00 0.00 28.75 29.76 2opu h GLU 74 CO -0.49 1.34 -0.98 0.66 -1.18 0.00 0.00 179.01 178.37 2opu h SER 75 N 0.15 0.74 0.60 1.04 4.64 -1.40 -2.45 113.55 116.86 2opu h SER 75 Ca -0.20 -0.81 -0.03 0.00 -0.47 0.00 0.00 61.79 60.29 2opu h SER 75 Cb 2.04 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 63.89 2opu h SER 75 CO 0.24 1.47 -0.15 1.62 -0.87 0.00 0.00 176.83 179.14 2opu h VAL 76 N 0.11 0.50 0.05 0.95 3.04 -0.32 0.81 116.25 121.40 2opu h VAL 76 Ca -0.14 -0.73 -0.13 0.00 -1.01 0.00 0.00 66.70 64.69 2opu h VAL 76 Cb 1.68 1.50 0.01 0.00 -2.01 0.00 0.00 31.29 32.46 2opu h VAL 76 CO 0.19 0.14 -0.55 -0.61 -1.01 0.00 0.00 177.57 175.73 2opu h GLN 77 N 0.00 0.28 -0.40 4.17 5.75 -1.58 -2.31 115.11 121.02 2opu h GLN 77 Ca -0.00 -0.37 -0.00 0.00 -0.15 0.00 0.00 58.65 58.12 2opu h GLN 77 Cb 0.48 0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.14 2opu h GLN 77 CO 0.02 1.11 0.25 -0.22 -2.65 0.00 0.00 178.83 177.34 2opu h LYS 78 N -0.38 0.54 -0.23 1.69 1.63 -0.95 0.23 116.57 119.10 2opu h LYS 78 Ca -0.08 -0.05 0.04 0.00 -0.85 0.00 0.00 60.65 59.71 2opu h LYS 78 Cb 1.35 -0.12 -0.04 0.00 -0.60 0.00 0.00 32.23 32.82 2opu h LYS 78 CO 0.11 0.40 -0.03 0.00 -3.45 0.00 0.00 179.45 176.47 2opu h ALA 79 N 1.12 0.17 0.00 5.00 0.00 -0.95 -1.61 119.26 122.99 2opu h ALA 79 Ca 0.15 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2opu h ALA 79 Cb -0.01 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 2opu h ALA 79 CO -0.03 -0.45 -0.05 0.87 0.00 0.00 0.00 179.25 179.59 2opu h LYS 80 N 0.03 0.00 0.02 0.00 1.57 -1.03 -2.36 116.57 114.80 2opu h LYS 80 Ca 0.11 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 2opu h LYS 80 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.47 2opu h LYS 80 CO -0.22 0.05 -0.01 0.52 -0.57 0.00 0.00 179.45 179.23 2opu h MET 81 N 0.00 -0.02 -0.59 3.15 2.86 0.45 0.36 114.93 121.14 2opu h MET 81 Ca -0.00 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.55 2opu h MET 81 Cb 0.52 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.16 2opu h MET 81 CO 0.01 0.02 -0.01 0.52 1.06 0.00 0.00 176.91 178.51 2opu h MET 82 N -0.06 1.04 0.29 1.72 2.86 -1.29 -2.54 114.93 116.96 2opu h MET 82 Ca -0.00 -0.33 -0.01 0.00 -2.06 0.00 0.00 59.70 57.30 2opu h MET 82 Cb 0.05 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 31.62 2opu h MET 82 CO 0.00 1.02 -0.14 -0.07 1.06 0.00 0.00 176.91 178.78 2opu h LEU 83 N 0.95 -0.33 -1.93 1.22 -0.00 -1.24 -2.38 115.31 111.59 2opu h LEU 83 Ca 0.17 -0.17 0.04 0.00 -0.00 0.00 0.00 57.88 57.92 2opu h LEU 83 Cb 0.55 0.09 -0.01 0.00 -0.00 0.00 0.00 40.66 41.29 2opu h LEU 83 CO 0.03 0.01 0.14 -0.78 -0.00 0.00 0.00 178.44 177.84 2opu h ASP 84 N -0.71 0.08 0.57 -0.43 3.58 -0.34 0.22 116.42 119.39 2opu h ASP 84 Ca -0.04 -0.00 -0.03 0.00 0.42 0.00 0.00 57.03 57.38 2opu h ASP 84 Cb 0.48 -0.02 0.01 0.00 1.72 0.00 0.00 39.33 41.52 2opu h ASP 84 CO 0.07 0.05 -0.27 -0.78 -2.88 0.00 0.00 179.24 175.42 2opu h ASP 85 N 0.09 -0.65 -0.32 2.28 1.82 -1.30 -1.99 116.42 116.35 2opu h ASP 85 Ca 0.09 0.02 -0.13 0.00 -0.39 0.00 0.00 57.03 56.62 2opu h ASP 85 Cb 0.26 0.17 -0.01 0.00 0.68 0.00 0.00 39.33 40.43 2opu h ASP 85 CO -0.01 -0.34 -0.29 0.40 -1.61 0.00 0.00 179.24 177.39 2opu h ILE 86 N -1.01 1.28 0.00 2.25 5.03 -1.10 -2.16 117.51 121.79 2opu h ILE 86 Ca -0.08 -1.44 -0.07 0.00 -0.12 0.00 0.00 64.86 63.15 2opu h ILE 86 Cb 0.59 1.29 -0.01 0.00 -3.03 0.00 0.00 36.82 35.65 2opu h ILE 86 CO 0.13 0.48 -0.31 0.58 -0.68 0.00 0.00 178.15 178.35 2opu h VAL 87 N 0.71 1.16 0.00 1.67 2.07 -0.69 -0.91 116.25 120.26 2opu h VAL 87 Ca 0.08 -1.08 -0.05 0.00 0.82 0.00 0.00 66.70 66.47 2opu h VAL 87 Cb 0.84 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 2opu h VAL 87 CO 0.07 0.30 -0.24 -1.28 0.02 0.00 0.00 177.57 176.44 2opu h SER 88 N 0.00 0.00 0.11 0.57 0.87 -0.96 0.38 113.55 114.53 2opu h SER 88 Ca -0.00 0.00 -0.08 0.00 -1.23 0.00 0.00 61.79 60.48 2opu h SER 88 Cb 0.57 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.52 2opu h SER 88 CO 0.04 0.24 -0.28 0.03 -0.53 0.00 0.00 176.83 176.34 2opu h ARG 89 N 0.00 0.27 0.00 2.24 2.47 -0.54 -3.38 114.38 115.44 2opu h ARG 89 Ca -0.00 -0.09 0.00 0.00 -1.26 0.00 0.00 59.98 58.62 2opu h ARG 89 Cb 1.09 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 29.40 2opu h ARG 89 CO 0.03 0.53 -0.56 0.41 0.56 0.00 0.00 179.97 180.94 2opu n GLY 90 N -0.49 -0.52 3.90 0.04 0.00 -1.03 -5.03 105.19 102.06 2opu n GLY 90 Ca -0.01 -0.18 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 2opu n GLY 90 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2opu s ARG 91 N -2.07 3.64 -0.65 1.61 1.81 0.13 -5.04 118.95 118.38 2opu s ARG 91 Ca -0.16 0.25 -0.16 0.00 -1.72 0.00 0.00 55.73 53.94 2opu s ARG 91 Cb 0.02 -2.43 0.16 0.00 -0.45 0.00 0.00 34.95 32.25 2opu s ARG 91 CO 0.24 -0.07 0.63 0.20 -0.68 0.00 0.00 175.30 175.62 2opu s GLY 92 N -3.63 2.26 0.00 -3.53 0.00 -1.26 -3.91 107.32 97.25 2opu s GLY 92 Ca 0.48 -2.79 0.31 0.00 0.00 0.00 0.00 44.72 42.71 2opu s GLY 92 CO 0.37 1.27 2.07 0.61 0.00 0.00 0.00 173.10 177.43