#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2opu s SER 6 N 0.00 -0.53 0.00 7.28 0.15 -1.26 -4.87 113.70 114.47 2opu s SER 6 Ca 0.00 0.81 0.00 0.00 0.70 0.00 0.00 55.95 57.46 2opu s SER 6 Cb 0.00 0.82 0.00 0.00 -1.71 0.00 0.00 66.02 65.13 2opu s SER 6 CO 0.00 -0.36 0.00 -1.20 1.20 0.00 0.00 173.24 172.88 2opu n SER 7 N 1.98 0.00 -4.05 5.45 7.64 -0.42 -4.78 113.62 119.44 2opu n SER 7 Ca -0.17 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.61 2opu n SER 7 Cb 0.56 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.69 2opu n SER 7 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2opu s GLN 8 N 0.00 1.21 -0.22 1.43 -0.21 -1.26 -0.56 119.66 120.05 2opu s GLN 8 Ca 0.00 -1.34 -0.17 0.00 0.02 0.00 0.00 55.36 53.88 2opu s GLN 8 Cb 0.00 0.35 0.06 0.00 1.00 0.00 0.00 33.01 34.42 2opu s GLN 8 CO 0.00 -0.44 0.56 -1.17 -2.12 0.00 0.00 175.29 172.12 2opu s LEU 9 N -3.04 -0.31 -0.43 2.90 1.98 0.94 -4.79 118.68 115.93 2opu s LEU 9 Ca 0.24 1.16 0.04 0.00 -2.89 0.00 0.00 54.13 52.69 2opu s LEU 9 Cb 0.04 1.90 0.17 0.00 0.66 0.00 0.00 46.19 48.96 2opu s LEU 9 CO 0.05 -0.20 0.43 -0.83 -1.89 0.00 0.00 176.35 173.91 2opu s GLY 10 N 0.83 0.45 0.11 7.98 0.00 -1.26 -0.41 107.32 115.01 2opu s GLY 10 Ca -0.04 -1.78 -0.08 0.00 0.00 0.00 0.00 44.72 42.81 2opu s GLY 10 CO -0.07 2.56 1.26 -0.56 0.00 0.00 0.00 173.10 176.30 2opu h PRO 11 N 5.68 0.54 -5.10 2.90 0.13 -1.85 -3.47 132.00 130.83 2opu h PRO 11 Ca 0.19 -0.58 -0.35 0.00 -0.87 0.00 0.00 66.00 64.39 2opu h PRO 11 Cb 0.98 0.16 -0.14 0.00 0.13 0.00 0.00 31.00 32.12 2opu h PRO 11 CO 0.26 1.20 -0.70 0.96 -0.23 0.00 0.00 178.00 179.49 2opu s ILE 12 N -3.30 1.16 -0.10 -3.56 -4.36 -1.26 -5.08 121.20 104.69 2opu s ILE 12 Ca -0.08 -2.06 0.16 0.00 -0.26 0.00 0.00 60.65 58.41 2opu s ILE 12 Cb 0.08 -2.01 -0.16 0.00 1.25 0.00 0.00 42.46 41.62 2opu s ILE 12 CO 0.89 -0.61 0.76 1.41 0.24 0.00 0.00 174.94 177.63 2opu n HIS 13 N -0.28 0.96 -0.97 1.37 8.25 -1.26 -4.62 115.22 118.67 2opu n HIS 13 Ca -0.08 0.33 -0.37 0.00 -0.26 0.00 0.00 57.72 57.33 2opu n HIS 13 Cb 0.62 -1.10 0.03 0.00 1.12 0.00 0.00 29.99 30.65 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 -2.91 0.00 -1.18 -0.41 -0.02 -1.26 -4.88 135.00 124.33 2opu n PRO 14 Ca -0.12 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 60.99 2opu n PRO 14 Cb 0.89 -0.97 0.03 0.00 -0.02 0.00 0.00 33.50 33.44 2opu n PRO 14 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2opu n PRO 15 N 2.42 0.07 0.00 0.52 -0.04 -1.26 -4.51 135.00 132.20 2opu n PRO 15 Ca -0.02 0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 2opu n PRO 15 Cb 0.71 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 32.98 2opu n PRO 15 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 2opu n PRO 16 N 1.27 0.48 0.19 0.54 -0.04 -1.26 -3.16 135.00 133.02 2opu n PRO 16 Ca 0.06 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.62 2opu n PRO 16 Cb 0.50 -1.26 0.13 0.00 -0.04 0.00 0.00 33.50 32.83 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 0.94 0.00 0.00 0.54 0.11 -1.76 0.14 114.38 114.35 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 0.43 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.51 2opu h ARG 17 CO 0.00 0.08 0.00 -2.37 0.10 0.00 0.00 179.97 177.78 2opu n THR 18 N -3.08 0.00 0.00 0.08 5.66 -1.19 -4.57 114.28 111.18 2opu n THR 18 Ca 0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.03 2opu n THR 18 Cb 0.57 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.35 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 -4.56 1.09 2.88 -1.21 -4.64 113.62 107.18 2opu n SER 19 Ca 0.00 0.00 -0.20 0.00 -1.33 0.00 0.00 58.87 57.34 2opu n SER 19 Cb 0.48 0.00 -0.06 0.00 -0.75 0.00 0.00 64.21 63.87 2opu n SER 19 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2opu s MET 20 N 0.86 2.02 -0.38 -1.46 0.23 -1.24 -4.11 119.30 115.23 2opu s MET 20 Ca 0.00 -0.00 -0.19 0.00 -1.03 0.00 0.00 55.69 54.46 2opu s MET 20 Cb 0.00 -4.94 0.01 0.00 -1.53 0.00 0.00 34.83 28.36 2opu s MET 20 CO 0.00 -4.05 0.57 0.99 -2.03 0.00 0.00 175.02 170.50 2opu s THR 21 N 12.76 4.94 -0.30 3.16 2.01 0.45 -4.69 115.64 133.96 2opu s THR 21 Ca 0.81 0.31 -0.15 0.00 0.31 0.00 0.00 61.69 62.97 2opu s THR 21 Cb -0.09 -4.05 -0.03 0.00 0.01 0.00 0.00 72.50 68.34 2opu s THR 21 CO 0.05 -0.34 0.38 -0.70 -0.69 0.00 0.00 174.62 173.32 2opu s GLU 22 N 2.56 3.84 -0.53 4.92 2.12 -0.69 -0.04 118.70 130.87 2opu s GLU 22 Ca 0.21 -0.13 -0.18 0.00 0.36 0.00 0.00 54.97 55.23 2opu s GLU 22 Cb -0.15 -3.72 0.09 0.00 0.26 0.00 0.00 34.13 30.61 2opu s GLU 22 CO 0.15 -0.39 0.59 -2.00 -0.54 0.00 0.00 175.26 173.07 2opu s GLU 23 N 2.08 3.05 -0.20 4.30 2.56 0.27 -0.54 118.70 130.22 2opu s GLU 23 Ca 0.14 -1.24 -0.18 0.00 0.00 0.00 0.00 54.97 53.69 2opu s GLU 23 Cb -0.16 -4.19 -0.03 0.00 2.00 0.00 0.00 34.13 31.75 2opu s GLU 23 CO 0.11 -1.30 0.50 -0.47 -0.56 0.00 0.00 175.26 173.54 2opu s TYR 24 N 2.30 3.38 -0.26 5.30 6.14 0.33 -1.30 117.35 133.25 2opu s TYR 24 Ca 0.10 0.76 -0.28 0.00 0.64 0.00 0.00 57.07 58.29 2opu s TYR 24 Cb -0.23 -2.65 0.01 0.00 0.42 0.00 0.00 41.96 39.51 2opu s TYR 24 CO 0.08 -0.08 1.01 1.03 0.64 0.00 0.00 175.55 178.22 2opu s ARG 25 N 1.57 4.18 -0.05 4.97 0.52 -1.26 -0.96 118.95 127.92 2opu s ARG 25 Ca 0.23 1.19 -0.01 0.00 -0.52 0.00 0.00 55.73 56.63 2opu s ARG 25 Cb -0.15 -3.67 0.03 0.00 0.52 0.00 0.00 34.95 31.67 2opu s ARG 25 CO 0.09 -0.69 0.01 0.54 0.02 0.00 0.00 175.30 175.28 2opu s VAL 26 N 3.26 0.20 0.41 3.52 0.11 -0.37 -4.95 120.40 122.58 2opu s VAL 26 Ca 0.43 0.17 -0.27 0.00 -2.93 0.00 0.00 61.98 59.38 2opu s VAL 26 Cb -0.14 -0.35 -0.09 0.00 -1.53 0.00 0.00 36.38 34.26 2opu s VAL 26 CO 0.09 0.20 1.41 -2.16 -3.33 0.00 0.00 175.10 171.31 2opu s PRO 27 N 1.65 3.92 0.51 1.54 0.04 -1.26 -0.23 135.00 141.16 2opu s PRO 27 Ca -0.01 2.41 0.16 0.00 0.04 0.00 0.00 61.00 63.60 2opu s PRO 27 Cb -0.13 -2.80 1.24 0.00 0.04 0.00 0.00 34.50 32.85 2opu s PRO 27 CO -0.03 -0.62 2.11 0.22 0.04 0.00 0.00 177.00 178.72 2opu h ASP 28 N 2.68 0.06 -0.23 6.66 3.58 -1.92 0.24 116.42 127.49 2opu h ASP 28 Ca -0.50 -0.00 -0.12 0.00 0.42 0.00 0.00 57.03 56.83 2opu h ASP 28 Cb 1.25 -0.01 -0.01 0.00 1.72 0.00 0.00 39.33 42.27 2opu h ASP 28 CO 0.63 0.04 -0.25 1.23 -2.88 0.00 0.00 179.24 178.01 2opu h GLY 29 N 0.07 0.77 2.00 -0.78 0.00 -1.99 -2.77 103.07 100.38 2opu h GLY 29 Ca 0.06 -0.67 -0.15 0.00 0.00 0.00 0.00 47.33 46.57 2opu h GLY 29 CO -0.01 0.61 -0.73 -0.33 0.00 0.00 0.00 176.54 176.08 2opu h MET 30 N 0.62 0.00 0.00 4.80 2.86 -0.92 -2.35 114.93 119.94 2opu h MET 30 Ca 0.08 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.62 2opu h MET 30 Cb 0.75 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.39 2opu h MET 30 CO 0.06 0.73 -0.47 -0.24 1.06 0.00 0.00 176.91 178.05 2opu h VAL 31 N 0.00 1.20 0.00 -2.22 3.04 -1.28 0.22 116.25 117.21 2opu h VAL 31 Ca -0.01 -1.70 -0.03 0.00 -1.01 0.00 0.00 66.70 63.95 2opu h VAL 31 Cb 1.49 1.95 -0.00 0.00 -2.01 0.00 0.00 31.29 32.72 2opu h VAL 31 CO 0.10 0.46 -0.16 1.23 -1.01 0.00 0.00 177.57 178.19 2opu h GLY 32 N 1.72 0.00 1.38 3.17 0.00 -1.13 -2.58 103.07 105.63 2opu h GLY 32 Ca -0.00 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.10 2opu h GLY 32 CO 0.06 0.00 -1.32 1.41 0.00 0.00 0.00 176.54 176.69 2opu h LEU 33 N 0.00 0.00 -1.16 3.11 4.07 -0.80 -3.23 115.31 117.30 2opu h LEU 33 Ca -0.00 0.00 -0.09 0.00 0.08 0.00 0.00 57.88 57.87 2opu h LEU 33 Cb 0.40 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.13 2opu h LEU 33 CO 0.02 0.86 -0.42 -0.29 -1.08 0.00 0.00 178.44 177.54 2opu h ILE 34 N 0.00 1.30 0.00 1.22 6.09 -0.25 -0.90 117.51 124.97 2opu h ILE 34 Ca -0.15 -1.43 0.00 0.00 -1.37 0.00 0.00 64.86 61.90 2opu h ILE 34 Cb 1.79 1.77 0.00 0.00 0.47 0.00 0.00 36.82 40.86 2opu h ILE 34 CO 0.09 0.41 -0.26 2.30 -3.07 0.00 0.00 178.15 177.62 2opu n ILE 35 N -4.04 0.41 0.00 2.19 -5.35 -1.05 -4.26 119.36 107.27 2opu n ILE 35 Ca -0.02 -0.23 0.00 0.00 -0.27 0.00 0.00 62.75 62.23 2opu n ILE 35 Cb 0.45 -0.36 0.00 0.00 -1.74 0.00 0.00 39.64 37.99 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 0.26 0.00 3.28 0.00 -0.35 -2.04 105.19 107.69 2opu n GLY 36 Ca 0.05 0.63 0.03 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 0.18 0.00 1.61 1.85 -1.26 -4.72 116.66 114.32 2opu n ARG 37 Ca 0.00 0.05 0.00 0.00 -1.00 0.00 0.00 57.85 56.90 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 -0.62 1.32 0.00 2.89 0.00 -0.87 -4.74 105.19 103.18 2opu n GLY 38 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.84 3.04 0.36 -0.02 0.00 -1.06 -4.99 105.19 101.68 2opu n GLY 39 Ca 0.00 -0.41 0.15 0.00 0.00 0.00 0.00 46.02 45.76 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 0.24 -0.20 1.61 4.81 -1.85 -2.93 114.58 116.26 2opu h GLU 40 Ca 0.00 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2opu h GLU 40 Cb 0.00 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 2opu h GLU 40 CO 0.00 0.16 0.11 0.37 -0.73 0.00 0.00 179.01 178.92 2opu h GLN 41 N 0.25 0.28 -0.67 1.92 4.15 -1.87 -0.53 115.11 118.63 2opu h GLN 41 Ca 0.27 -0.03 -0.01 0.00 0.77 0.00 0.00 58.65 59.64 2opu h GLN 41 Cb 0.71 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 28.31 2opu h GLN 41 CO -0.05 0.25 0.37 0.97 -1.93 0.00 0.00 178.83 178.44 2opu h ILE 42 N 0.23 1.21 -0.90 2.39 6.09 -1.69 -0.38 117.51 124.46 2opu h ILE 42 Ca 0.07 -0.53 0.01 0.00 -1.37 0.00 0.00 64.86 63.04 2opu h ILE 42 Cb 0.05 0.33 -0.05 0.00 0.47 0.00 0.00 36.82 37.63 2opu h ILE 42 CO -0.01 0.23 0.60 0.78 -3.07 0.00 0.00 178.15 176.68 2opu h ASN 43 N 0.92 1.03 -0.09 2.19 2.35 -1.50 0.24 115.58 120.73 2opu h ASN 43 Ca 0.24 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.96 2opu h ASN 43 Cb 0.04 -0.26 -0.00 0.00 0.05 0.00 0.00 38.32 38.15 2opu h ASN 43 CO -0.04 0.74 0.05 0.50 -1.65 0.00 0.00 177.43 177.04 2opu h LYS 44 N 1.21 0.12 0.21 0.81 1.63 -0.23 -0.80 116.57 119.52 2opu h LYS 44 Ca 0.33 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 60.11 2opu h LYS 44 Cb -0.13 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 31.48 2opu h LYS 44 CO -0.08 0.12 -0.10 0.82 -3.45 0.00 0.00 179.45 176.76 2opu h ILE 45 N 0.09 0.86 -0.13 2.00 2.04 -0.05 -2.17 117.51 120.14 2opu h ILE 45 Ca 0.03 -0.37 -0.13 0.00 1.00 0.00 0.00 64.86 65.40 2opu h ILE 45 Cb 0.03 1.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 2opu h ILE 45 CO -0.01 0.08 -0.42 0.06 0.00 0.00 0.00 178.15 177.87 2opu h GLN 46 N -0.46 0.51 0.00 2.37 -0.00 -0.60 -2.14 115.11 114.80 2opu h GLN 46 Ca -0.03 -0.38 -0.09 0.00 -0.00 0.00 0.00 58.65 58.16 2opu h GLN 46 Cb 0.35 0.07 -0.01 0.00 -0.00 0.00 0.00 27.48 27.88 2opu h GLN 46 CO 0.05 1.00 -0.42 0.37 -0.00 0.00 0.00 178.83 179.83 2opu h GLN 47 N 0.12 0.00 0.10 0.06 5.75 -1.23 0.11 115.11 120.01 2opu h GLN 47 Ca -0.02 0.00 -0.00 0.00 -0.15 0.00 0.00 58.65 58.48 2opu h GLN 47 Cb 1.05 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.60 2opu h GLN 47 CO 0.09 0.42 -0.05 0.22 -2.65 0.00 0.00 178.83 176.86 2opu h ASP 48 N 0.00 -0.11 -0.66 -0.69 1.82 -1.38 -3.33 116.42 112.06 2opu h ASP 48 Ca -0.00 -0.46 -0.06 0.00 -0.39 0.00 0.00 57.03 56.11 2opu h ASP 48 Cb 1.01 0.03 -0.03 0.00 0.68 0.00 0.00 39.33 41.02 2opu h ASP 48 CO 0.05 0.53 0.17 0.77 -1.61 0.00 0.00 179.24 179.16 2opu h SER 49 N -0.89 1.00 0.00 2.28 4.64 -1.38 -3.47 113.55 115.73 2opu h SER 49 Ca -0.01 -0.23 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 2opu h SER 49 Cb 0.56 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.39 2opu h SER 49 CO 0.02 0.97 0.00 0.61 -0.87 0.00 0.00 176.83 177.56 2opu n GLY 50 N -0.67 1.21 3.78 -0.77 0.00 0.27 -4.41 105.19 104.61 2opu n GLY 50 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 2opu n GLY 50 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2opu s LYS 52 N -0.28 3.68 -0.41 0.00 1.02 0.15 -4.30 119.74 119.59 2opu s LYS 52 Ca 0.24 -1.50 -0.18 0.00 0.02 0.00 0.00 55.97 54.55 2opu s LYS 52 Cb -0.16 -5.24 0.02 0.00 -0.52 0.00 0.00 37.83 31.92 2opu s LYS 52 CO 0.12 -2.07 0.48 0.08 -0.92 0.00 0.00 175.35 173.04 2opu s VAL 53 N 4.04 5.03 -0.26 3.17 1.01 -1.26 -3.02 120.40 129.10 2opu s VAL 53 Ca 0.43 -0.13 -0.05 0.00 0.00 0.00 0.00 61.98 62.24 2opu s VAL 53 Cb -0.01 -4.05 0.01 0.00 0.00 0.00 0.00 36.38 32.33 2opu s VAL 53 CO -0.07 -0.40 0.01 -1.58 0.00 0.00 0.00 175.10 173.06 2opu s GLN 54 N 2.30 3.08 -0.71 2.72 2.00 -0.68 -4.98 119.66 123.40 2opu s GLN 54 Ca 0.15 -0.84 -0.27 0.00 -2.00 0.00 0.00 55.36 52.40 2opu s GLN 54 Cb -0.16 -3.18 0.03 0.00 0.80 0.00 0.00 33.01 30.50 2opu s GLN 54 CO 0.15 -0.38 1.24 0.42 -0.50 0.00 0.00 175.29 176.22 2opu s ILE 55 N 1.44 3.81 -0.36 -2.34 -1.09 -1.26 -1.67 121.20 119.72 2opu s ILE 55 Ca 0.02 0.41 -0.25 0.00 -2.23 0.00 0.00 60.65 58.61 2opu s ILE 55 Cb -0.16 -4.87 0.01 0.00 -1.58 0.00 0.00 42.46 35.85 2opu s ILE 55 CO -0.01 -1.76 0.86 -0.44 -1.23 0.00 0.00 174.94 172.37 2opu s SER 56 N 3.63 6.63 0.22 3.58 0.01 0.50 -4.92 113.70 123.35 2opu s SER 56 Ca 0.35 0.49 0.12 0.00 1.31 0.00 0.00 55.95 58.22 2opu s SER 56 Cb -0.09 -2.43 -0.01 0.00 0.21 0.00 0.00 66.02 63.70 2opu s SER 56 CO 0.16 -0.80 1.40 -0.65 0.41 0.00 0.00 173.24 173.76 2opu h PRO 57 N 8.46 0.00 0.00 12.44 0.11 -1.94 -2.85 132.00 148.22 2opu h PRO 57 Ca -0.24 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.78 2opu h PRO 57 Cb 1.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2opu h PRO 57 CO 0.95 0.69 -0.76 -0.44 -0.21 0.00 0.00 178.00 178.22 2opu h ASP 58 N 0.00 0.00 0.00 -2.05 3.32 -1.92 -3.48 116.42 112.30 2opu h ASP 58 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2opu h ASP 58 Cb 1.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.06 2opu h ASP 58 CO 0.09 0.39 0.00 -1.54 -1.72 0.00 0.00 179.24 176.46 2opu n SER 59 N -3.04 0.00 0.00 6.45 3.41 -1.24 -4.82 113.62 114.38 2opu n SER 59 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 2opu n SER 59 Cb 0.71 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.66 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 0.86 1.15 5.00 0.00 -1.26 -4.82 105.19 106.12 2opu n GLY 60 Ca 0.00 -0.31 0.04 0.00 0.00 0.00 0.00 46.02 45.75 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 2.04 3.29 -0.02 0.00 -1.26 -4.85 105.19 104.40 2opu n GLY 61 Ca 0.00 -0.48 -0.31 0.00 0.00 0.00 0.00 46.02 45.23 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 -1.38 2.11 0.00 0.99 2.01 -1.26 -4.99 118.68 116.15 2opu s LEU 62 Ca 0.28 -0.48 0.28 0.00 0.01 0.00 0.00 54.13 54.23 2opu s LEU 62 Cb 0.21 -1.38 1.16 0.00 0.01 0.00 0.00 46.19 46.19 2opu s LEU 62 CO 0.10 0.27 1.85 -0.81 1.01 0.00 0.00 176.35 178.78 2opu n PRO 63 N 2.76 0.15 -0.24 1.29 -0.04 -1.26 -4.81 135.00 132.85 2opu n PRO 63 Ca -0.17 -0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.26 2opu n PRO 63 Cb 0.52 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 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 -1.40 2.80 -3.68 0.54 0.28 -1.26 -4.92 120.64 113.00 2opu n GLU 64 Ca 0.09 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.76 2opu n GLU 64 Cb 0.32 0.00 -0.05 0.00 1.43 0.00 0.00 31.44 33.14 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 1.67 3.63 -0.13 3.44 6.06 0.68 -4.74 118.95 129.56 2opu s ARG 65 Ca 0.00 -0.06 0.02 0.00 -2.50 0.00 0.00 55.73 53.19 2opu s ARG 65 Cb 0.00 -2.92 0.01 0.00 0.06 0.00 0.00 34.95 32.10 2opu s ARG 65 CO 0.00 0.52 -0.19 -1.54 -2.50 0.00 0.00 175.30 171.59 2opu s SER 66 N -2.20 2.81 -0.30 -2.12 1.04 -1.07 -1.23 113.70 110.62 2opu s SER 66 Ca 0.37 -0.52 -0.05 0.00 0.48 0.00 0.00 55.95 56.23 2opu s SER 66 Cb -0.13 -1.28 0.03 0.00 0.10 0.00 0.00 66.02 64.74 2opu s SER 66 CO 0.22 0.05 0.05 -0.69 0.98 0.00 0.00 173.24 173.85 2opu s VAL 67 N 0.89 3.51 -0.08 5.02 1.01 -0.13 -0.37 120.40 130.24 2opu s VAL 67 Ca -0.07 -1.05 -0.29 0.00 0.00 0.00 0.00 61.98 60.57 2opu s VAL 67 Cb -0.15 -2.91 -0.02 0.00 0.00 0.00 0.00 36.38 33.30 2opu s VAL 67 CO -0.02 -0.03 0.99 -0.44 0.00 0.00 0.00 175.10 175.60 2opu s SER 68 N 1.38 7.26 -0.27 3.32 0.01 -0.67 -0.51 113.70 124.22 2opu s SER 68 Ca -0.01 1.54 0.01 0.00 1.31 0.00 0.00 55.95 58.80 2opu s SER 68 Cb -0.18 -2.55 0.05 0.00 0.21 0.00 0.00 66.02 63.55 2opu s SER 68 CO 0.01 -0.40 -0.08 -0.76 0.41 0.00 0.00 173.24 172.42 2opu s LEU 69 N 1.78 3.49 -0.18 2.44 1.43 0.30 -1.68 118.68 126.26 2opu s LEU 69 Ca 0.49 -1.28 -0.07 0.00 -1.03 0.00 0.00 54.13 52.23 2opu s LEU 69 Cb -0.19 -1.60 0.08 0.00 0.03 0.00 0.00 46.19 44.51 2opu s LEU 69 CO 0.20 -0.20 0.39 -0.89 0.23 0.00 0.00 176.35 176.09 2opu s THR 70 N 1.17 -0.50 0.00 5.49 2.01 -1.17 -1.71 115.64 120.93 2opu s THR 70 Ca -0.07 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.11 2opu s THR 70 Cb -0.19 -0.62 0.00 0.00 0.01 0.00 0.00 72.50 71.70 2opu s THR 70 CO -0.04 0.07 0.00 0.61 -0.69 0.00 0.00 174.62 174.57 2opu n GLY 71 N 5.18 -0.64 3.73 4.40 0.00 0.51 0.31 105.19 118.67 2opu n GLY 71 Ca -0.11 0.39 -0.08 0.00 0.00 0.00 0.00 46.02 46.22 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 -1.22 -1.31 0.17 4.61 0.00 -1.25 -2.39 121.76 120.37 2opu s ALA 72 Ca 0.00 -0.09 -0.30 0.00 0.00 0.00 0.00 51.96 51.57 2opu s ALA 72 Cb 0.00 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.94 2opu s ALA 72 CO 0.00 -0.96 1.53 -2.30 0.00 0.00 0.00 175.76 174.04 2opu n PRO 73 N -0.43 -0.42 0.09 0.00 -0.02 -1.26 0.84 135.00 133.80 2opu n PRO 73 Ca -0.08 1.50 -0.20 0.00 -2.02 0.00 0.00 63.50 62.71 2opu n PRO 73 Cb 0.61 -2.21 -0.15 0.00 -0.02 0.00 0.00 33.50 31.73 2opu n PRO 73 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2opu h GLU 74 N 0.00 0.36 -0.34 -0.52 4.81 -1.98 -3.30 114.58 113.61 2opu h GLU 74 Ca 0.18 -0.62 -0.01 0.00 -0.13 0.00 0.00 59.36 58.78 2opu h GLU 74 Cb 0.42 0.23 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 2opu h GLU 74 CO -0.94 1.26 0.19 0.77 -0.73 0.00 0.00 179.01 179.56 2opu h SER 75 N 0.10 0.42 0.42 1.04 0.02 -1.55 -1.10 113.55 112.91 2opu h SER 75 Ca -0.25 -0.08 -0.15 0.00 -0.84 0.00 0.00 61.79 60.47 2opu h SER 75 Cb 2.07 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 64.49 2opu h SER 75 CO 0.20 0.38 -0.63 1.62 -1.14 0.00 0.00 176.83 177.27 2opu h VAL 76 N 0.42 1.40 -0.30 2.27 3.04 0.28 -1.52 116.25 121.85 2opu h VAL 76 Ca 0.12 -2.05 -0.17 0.00 -1.01 0.00 0.00 66.70 63.59 2opu h VAL 76 Cb 0.05 2.06 -0.00 0.00 -2.01 0.00 0.00 31.29 31.39 2opu h VAL 76 CO -0.02 0.60 -0.48 -0.61 -1.01 0.00 0.00 177.57 176.06 2opu h GLN 77 N 0.14 0.80 -0.25 4.17 4.15 -1.57 -0.08 115.11 122.48 2opu h GLN 77 Ca -0.01 -0.46 -0.01 0.00 0.77 0.00 0.00 58.65 58.93 2opu h GLN 77 Cb 1.14 0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.85 2opu h GLN 77 CO 0.09 1.10 0.10 0.87 -1.93 0.00 0.00 178.83 179.06 2opu h LYS 78 N 0.63 0.37 -0.03 1.69 6.56 -0.98 0.30 116.57 125.11 2opu h LYS 78 Ca 0.03 -0.07 0.01 0.00 -1.06 0.00 0.00 60.65 59.57 2opu h LYS 78 Cb 1.06 -0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 32.65 2opu h LYS 78 CO 0.10 0.40 -0.01 0.00 -2.06 0.00 0.00 179.45 177.88 2opu h ALA 79 N 0.95 0.02 0.00 3.86 0.00 -1.21 -2.86 119.26 120.02 2opu h ALA 79 Ca 0.08 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2opu h ALA 79 Cb 0.17 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 2opu h ALA 79 CO -0.01 -0.50 -0.11 0.87 0.00 0.00 0.00 179.25 179.51 2opu h LYS 80 N -0.01 0.00 -0.32 0.00 1.57 -0.88 -2.62 116.57 114.31 2opu h LYS 80 Ca 0.02 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.66 2opu h LYS 80 Cb 0.04 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 2opu h LYS 80 CO -0.04 0.11 -0.35 0.00 -0.57 0.00 0.00 179.45 178.60 2opu h MET 81 N 0.00 0.72 -0.35 3.15 -0.00 -0.19 0.26 114.93 118.52 2opu h MET 81 Ca -0.00 -0.35 -0.09 0.00 -0.00 0.00 0.00 59.70 59.27 2opu h MET 81 Cb 0.83 -0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.41 2opu h MET 81 CO 0.01 0.96 -0.13 0.52 -0.00 0.00 0.00 176.91 178.28 2opu h MET 82 N 0.60 0.70 0.65 -0.10 2.86 -1.32 -2.37 114.93 115.95 2opu h MET 82 Ca 0.06 -0.29 -0.03 0.00 -2.06 0.00 0.00 59.70 57.38 2opu h MET 82 Cb 0.88 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.51 2opu h MET 82 CO 0.08 0.88 -0.34 -0.07 1.06 0.00 0.00 176.91 178.52 2opu h LEU 83 N 0.49 -0.83 -1.06 1.22 -0.00 -1.27 -2.51 115.31 111.36 2opu h LEU 83 Ca 0.08 0.04 0.19 0.00 -0.00 0.00 0.00 57.88 58.19 2opu h LEU 83 Cb 0.65 0.23 -0.10 0.00 -0.00 0.00 0.00 40.66 41.43 2opu h LEU 83 CO 0.04 -0.56 0.61 -0.78 -0.00 0.00 0.00 178.44 177.76 2opu h ASP 84 N -0.91 0.76 0.76 -0.43 3.58 -0.55 0.16 116.42 119.79 2opu h ASP 84 Ca -0.09 0.09 -0.04 0.00 0.42 0.00 0.00 57.03 57.42 2opu h ASP 84 Cb 0.72 -0.05 0.01 0.00 1.72 0.00 0.00 39.33 41.72 2opu h ASP 84 CO 0.12 0.28 -0.37 -0.78 -2.88 0.00 0.00 179.24 175.62 2opu h ASP 85 N 0.75 -0.87 -0.17 2.28 3.58 -1.11 -1.06 116.42 119.83 2opu h ASP 85 Ca 0.56 0.03 -0.21 0.00 0.42 0.00 0.00 57.03 57.84 2opu h ASP 85 Cb 0.90 0.22 0.01 0.00 1.72 0.00 0.00 39.33 42.18 2opu h ASP 85 CO -0.35 -0.61 -0.70 0.40 -2.88 0.00 0.00 179.24 175.10 2opu h ILE 86 N -1.04 1.29 -0.84 2.25 5.03 -1.01 -2.39 117.51 120.80 2opu h ILE 86 Ca -0.10 -1.90 -0.01 0.00 -0.12 0.00 0.00 64.86 62.72 2opu h ILE 86 Cb 0.79 1.95 -0.04 0.00 -3.03 0.00 0.00 36.82 36.49 2opu h ILE 86 CO 0.17 0.60 0.47 0.58 -0.68 0.00 0.00 178.15 179.30 2opu h VAL 87 N 0.50 1.24 -0.31 1.67 2.07 -0.74 -1.51 116.25 119.18 2opu h VAL 87 Ca -0.04 -0.59 -0.12 0.00 0.82 0.00 0.00 66.70 66.77 2opu h VAL 87 Cb 1.32 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 2opu h VAL 87 CO 0.15 0.27 -0.30 0.28 0.02 0.00 0.00 177.57 177.99 2opu h SER 88 N 1.17 0.66 0.76 0.57 0.02 -1.16 0.29 113.55 115.87 2opu h SER 88 Ca 0.30 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 2opu h SER 88 Cb 0.01 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.37 2opu h SER 88 CO -0.05 0.92 0.00 -2.11 -1.14 0.00 0.00 176.83 174.45 2opu n ARG 89 N -4.08 0.23 0.00 3.45 1.85 -0.83 -2.43 116.66 114.85 2opu n ARG 89 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 2opu n ARG 89 Cb 0.46 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.37 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 1.37 -0.42 1.80 2.89 0.00 -0.63 -4.94 105.19 105.26 2opu n GLY 90 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2opu n GLY 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2opu n ARG 91 N -0.21 0.00 0.00 1.61 3.00 0.72 -4.82 116.66 116.97 2opu n ARG 91 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2opu n ARG 91 Cb 0.38 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.84 2opu n ARG 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2opu n GLY 92 N -1.44 2.86 0.00 5.14 0.00 0.50 -4.93 105.19 107.31 2opu n GLY 92 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.30 2opu n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93