#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 0.00 4.38 3.41 -1.26 -5.01 113.62 115.14 2opu n SER 6 Ca 0.00 -0.97 0.00 0.00 -0.26 0.00 0.00 58.87 57.64 2opu n SER 6 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2opu n SER 6 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2opu n SER 7 N -1.60 0.00 -3.66 4.04 2.88 -0.51 -4.69 113.62 110.08 2opu n SER 7 Ca 0.00 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.40 2opu n SER 7 Cb 0.00 0.00 -0.08 0.00 -0.75 0.00 0.00 64.21 63.38 2opu n SER 7 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2opu s GLN 8 N 0.00 0.75 -0.32 -1.46 -2.07 -1.26 -0.94 119.66 114.36 2opu s GLN 8 Ca 0.00 0.55 -0.01 0.00 -1.82 0.00 0.00 55.36 54.07 2opu s GLN 8 Cb 0.00 0.36 0.11 0.00 -1.09 0.00 0.00 33.01 32.38 2opu s GLN 8 CO 0.00 -0.15 0.13 -0.51 -1.32 0.00 0.00 175.29 173.44 2opu s LEU 9 N -0.24 1.70 -0.41 2.60 1.43 0.20 -4.91 118.68 119.06 2opu s LEU 9 Ca -0.04 -1.65 0.08 0.00 -1.03 0.00 0.00 54.13 51.49 2opu s LEU 9 Cb -0.03 -0.70 0.28 0.00 0.03 0.00 0.00 46.19 45.77 2opu s LEU 9 CO 0.03 -0.40 0.68 0.61 0.23 0.00 0.00 176.35 177.49 2opu n GLY 10 N 4.81 2.35 0.04 -3.19 0.00 -1.26 -2.43 105.19 105.51 2opu n GLY 10 Ca -0.01 -1.17 0.13 0.00 0.00 0.00 0.00 46.02 44.97 2opu n GLY 10 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2opu n PRO 11 N 1.13 0.10 -4.33 1.61 -0.02 -1.26 -4.81 135.00 127.42 2opu n PRO 11 Ca 0.19 0.10 -0.22 0.00 -2.02 0.00 0.00 63.50 61.55 2opu n PRO 11 Cb 0.59 -1.62 -0.11 0.00 -0.02 0.00 0.00 33.50 32.33 2opu n PRO 11 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2opu s ILE 12 N -3.05 1.82 -0.20 4.25 -4.36 -1.26 -5.08 121.20 113.32 2opu s ILE 12 Ca 0.12 -1.90 0.20 0.00 -0.26 0.00 0.00 60.65 58.82 2opu s ILE 12 Cb 0.16 -1.83 -0.03 0.00 1.25 0.00 0.00 42.46 42.00 2opu s ILE 12 CO 0.53 -0.30 1.00 -0.74 0.24 0.00 0.00 174.94 175.68 2opu h HIS 13 N 3.30 0.00 -1.38 1.37 -0.00 -1.96 -3.41 115.15 113.07 2opu h HIS 13 Ca -0.42 0.00 -0.49 0.00 -0.00 0.00 0.00 60.37 59.45 2opu h HIS 13 Cb 1.20 0.00 0.25 0.00 -0.00 0.00 0.00 27.41 28.87 2opu h HIS 13 CO 0.68 0.21 -2.33 -2.30 -0.00 0.00 0.00 177.93 174.18 2opu n PRO 14 N -2.78 -0.27 -1.06 5.26 -0.02 -1.26 -4.89 135.00 129.98 2opu n PRO 14 Ca -0.03 -0.08 -0.37 0.00 -2.02 0.00 0.00 63.50 61.01 2opu n PRO 14 Cb 0.65 -1.13 0.04 0.00 -0.02 0.00 0.00 33.50 33.04 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 1.66 -0.00 0.00 0.52 -0.02 -1.26 -4.40 135.00 131.50 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 0.71 -1.09 0.00 0.00 -0.02 0.00 0.00 33.50 33.10 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 1.86 0.34 0.17 0.52 -0.04 -1.26 -3.18 135.00 133.41 2opu n PRO 16 Ca 0.02 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.52 2opu n PRO 16 Cb 0.53 -1.31 0.27 0.00 -0.04 0.00 0.00 33.50 32.95 2opu n PRO 16 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2opu h ARG 17 N 1.23 0.00 0.00 0.54 3.08 -1.84 -2.83 114.38 114.56 2opu h ARG 17 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2opu h ARG 17 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.37 2opu h ARG 17 CO 0.00 0.44 -0.00 -2.37 -1.07 0.00 0.00 179.97 176.97 2opu n THR 18 N -3.54 0.00 0.71 2.04 5.66 -1.19 -4.82 114.28 113.14 2opu n THR 18 Ca -0.00 0.00 0.10 0.00 -3.05 0.00 0.00 64.05 61.10 2opu n THR 18 Cb 0.56 0.08 -0.13 0.00 -1.55 0.00 0.00 70.33 69.29 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 0.78 -1.85 1.09 2.88 -1.21 -4.34 113.62 110.96 2opu n SER 19 Ca 0.00 -0.73 -0.00 0.00 -1.33 0.00 0.00 58.87 56.81 2opu n SER 19 Cb 0.50 1.24 0.06 0.00 -0.75 0.00 0.00 64.21 65.26 2opu n SER 19 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 2opu n MET 20 N -1.66 1.26 -2.60 -1.46 2.81 -1.25 -4.14 117.12 110.09 2opu n MET 20 Ca 0.02 -2.96 -0.43 0.00 -1.81 0.00 0.00 57.70 52.52 2opu n MET 20 Cb 0.37 -1.06 -0.02 0.00 -0.71 0.00 0.00 33.22 31.80 2opu n MET 20 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 2opu s THR 21 N -2.31 4.28 -0.23 2.03 2.01 -1.02 -4.40 115.64 116.00 2opu s THR 21 Ca 0.35 1.37 -0.04 0.00 0.31 0.00 0.00 61.69 63.68 2opu s THR 21 Cb 0.37 -4.52 -0.01 0.00 0.01 0.00 0.00 72.50 68.35 2opu s THR 21 CO -0.09 -0.82 -0.02 -0.70 -0.69 0.00 0.00 174.62 172.31 2opu s GLU 22 N 4.22 3.34 -0.53 4.92 2.12 0.06 0.61 118.70 133.46 2opu s GLU 22 Ca 0.48 -0.66 -0.18 0.00 0.36 0.00 0.00 54.97 54.98 2opu s GLU 22 Cb -0.09 -3.09 0.08 0.00 0.26 0.00 0.00 34.13 31.29 2opu s GLU 22 CO 0.26 -0.24 0.57 -2.00 -0.54 0.00 0.00 175.26 173.32 2opu s GLU 23 N 1.49 3.05 -0.28 4.30 2.56 -0.12 -0.43 118.70 129.27 2opu s GLU 23 Ca 0.05 -1.23 -0.19 0.00 0.00 0.00 0.00 54.97 53.60 2opu s GLU 23 Cb -0.15 -4.18 -0.02 0.00 2.00 0.00 0.00 34.13 31.78 2opu s GLU 23 CO -0.02 -1.27 0.55 -0.47 -0.56 0.00 0.00 175.26 173.49 2opu s TYR 24 N 2.25 3.24 -0.36 5.30 6.14 0.96 -1.42 117.35 133.47 2opu s TYR 24 Ca 0.10 0.58 -0.28 0.00 0.64 0.00 0.00 57.07 58.11 2opu s TYR 24 Cb -0.23 -2.82 0.02 0.00 0.42 0.00 0.00 41.96 39.34 2opu s TYR 24 CO 0.08 -0.37 1.02 1.03 0.64 0.00 0.00 175.55 177.95 2opu s ARG 25 N 2.41 3.93 -0.03 4.97 0.52 -1.26 -0.99 118.95 128.50 2opu s ARG 25 Ca 0.22 0.79 0.01 0.00 -0.52 0.00 0.00 55.73 56.24 2opu s ARG 25 Cb -0.15 -3.79 0.02 0.00 0.52 0.00 0.00 34.95 31.55 2opu s ARG 25 CO 0.10 -0.98 -0.04 0.54 0.02 0.00 0.00 175.30 174.95 2opu s VAL 26 N 3.68 0.43 0.53 3.52 0.11 0.28 -5.01 120.40 123.95 2opu s VAL 26 Ca 0.43 -0.10 -0.22 0.00 -2.93 0.00 0.00 61.98 59.16 2opu s VAL 26 Cb -0.11 -0.45 -0.05 0.00 -1.53 0.00 0.00 36.38 34.23 2opu s VAL 26 CO 0.19 0.18 1.34 -2.84 -3.33 0.00 0.00 175.10 170.64 2opu s PRO 27 N 0.72 3.23 0.51 1.54 0.02 -1.26 -0.43 135.00 139.33 2opu s PRO 27 Ca -0.09 2.18 0.15 0.00 0.02 0.00 0.00 61.00 63.27 2opu s PRO 27 Cb -0.12 -2.29 1.24 0.00 0.02 0.00 0.00 34.50 33.35 2opu s PRO 27 CO -0.00 -1.10 2.14 0.38 -0.33 0.00 0.00 177.00 178.09 2opu h ASP 28 N 1.56 0.04 0.47 2.53 2.03 -1.93 0.12 116.42 121.23 2opu h ASP 28 Ca -0.51 -0.00 -0.18 0.00 -0.73 0.00 0.00 57.03 55.61 2opu h ASP 28 Cb 1.29 -0.01 -0.01 0.00 -0.83 0.00 0.00 39.33 39.77 2opu h ASP 28 CO 0.58 0.03 -0.79 1.23 -1.03 0.00 0.00 179.24 179.25 2opu h GLY 29 N 0.04 0.27 2.00 7.15 0.00 -1.96 -2.84 103.07 107.74 2opu h GLY 29 Ca 0.02 -0.43 -0.19 0.00 0.00 0.00 0.00 47.33 46.73 2opu h GLY 29 CO -0.00 0.38 -0.89 -0.33 0.00 0.00 0.00 176.54 175.69 2opu h MET 30 N 0.15 0.00 -0.07 4.80 2.86 -1.21 -2.22 114.93 119.24 2opu h MET 30 Ca -0.03 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.49 2opu h MET 30 Cb 1.38 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.02 2opu h MET 30 CO 0.12 0.89 -0.47 -0.24 1.06 0.00 0.00 176.91 178.28 2opu h VAL 31 N 0.00 1.34 0.00 -2.22 3.04 -1.09 0.25 116.25 117.56 2opu h VAL 31 Ca -0.01 -1.65 -0.03 0.00 -1.01 0.00 0.00 66.70 64.01 2opu h VAL 31 Cb 1.63 1.80 -0.00 0.00 -2.01 0.00 0.00 31.29 32.70 2opu h VAL 31 CO 0.12 0.48 -0.13 1.23 -1.01 0.00 0.00 177.57 178.26 2opu h GLY 32 N 1.33 0.00 1.12 3.17 0.00 -1.21 -2.48 103.07 105.00 2opu h GLY 32 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.24 2opu h GLY 32 CO 0.07 0.00 -1.14 1.41 0.00 0.00 0.00 176.54 176.88 2opu h LEU 33 N 0.00 0.00 -0.86 3.11 3.38 -0.67 -2.97 115.31 117.29 2opu h LEU 33 Ca -0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 2opu h LEU 33 Cb 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2opu h LEU 33 CO 0.02 0.37 -0.45 -0.29 0.09 0.00 0.00 178.44 178.17 2opu h ILE 34 N 0.00 1.06 0.00 1.22 6.09 -0.12 -1.01 117.51 124.75 2opu h ILE 34 Ca -0.09 -1.72 0.00 0.00 -1.37 0.00 0.00 64.86 61.68 2opu h ILE 34 Cb 1.36 2.00 0.00 0.00 0.47 0.00 0.00 36.82 40.65 2opu h ILE 34 CO 0.03 0.44 -0.38 2.30 -3.07 0.00 0.00 178.15 177.47 2opu n ILE 35 N -3.61 0.44 0.00 2.19 -5.35 -0.99 -3.66 119.36 108.38 2opu n ILE 35 Ca -0.00 -0.27 0.00 0.00 -0.27 0.00 0.00 62.75 62.20 2opu n ILE 35 Cb 0.55 -0.30 0.00 0.00 -1.74 0.00 0.00 39.64 38.15 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 1.33 0.27 0.33 3.28 0.00 -0.38 -1.64 105.19 108.38 2opu n GLY 36 Ca 0.04 0.67 0.19 0.00 0.00 0.00 0.00 46.02 46.92 2opu n GLY 36 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2opu h ARG 37 N 0.00 0.00 0.00 1.61 0.11 -1.88 -3.44 114.38 110.78 2opu h ARG 37 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2opu h ARG 37 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2opu h ARG 37 CO 0.00 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.48 2opu n GLY 38 N -1.21 0.11 0.00 0.08 0.00 -0.65 -4.95 105.19 98.57 2opu n GLY 38 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 0.62 0.33 -0.02 0.00 -0.74 -4.94 105.19 100.44 2opu n GLY 39 Ca 0.00 -0.01 0.21 0.00 0.00 0.00 0.00 46.02 46.21 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 0.54 1.61 4.81 -1.93 -2.85 114.58 116.76 2opu h GLU 40 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2opu h GLU 40 Cb 0.00 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.39 2opu h GLU 40 CO 0.00 0.00 -0.26 0.37 -0.73 0.00 0.00 179.01 178.39 2opu h GLN 41 N 0.00 -0.69 -0.50 1.92 -0.00 -1.85 0.30 115.11 114.29 2opu h GLN 41 Ca 0.00 0.05 -0.10 0.00 -0.00 0.00 0.00 58.65 58.59 2opu h GLN 41 Cb 0.00 0.16 -0.02 0.00 0.00 0.00 0.00 27.48 27.62 2opu h GLN 41 CO -0.00 -0.46 -0.11 0.97 0.00 0.00 0.00 178.83 179.24 2opu h ILE 42 N -0.73 1.26 -0.66 2.39 6.09 -1.57 -1.93 117.51 122.36 2opu h ILE 42 Ca -0.07 -1.22 -0.00 0.00 -1.37 0.00 0.00 64.86 62.19 2opu h ILE 42 Cb 0.56 0.99 -0.03 0.00 0.47 0.00 0.00 36.82 38.81 2opu h ILE 42 CO 0.12 0.43 0.39 0.78 -3.07 0.00 0.00 178.15 176.80 2opu h ASN 43 N 0.82 0.78 0.75 2.19 2.35 -1.42 0.38 115.58 121.43 2opu h ASN 43 Ca 0.13 -0.04 -0.04 0.00 -0.55 0.00 0.00 56.30 55.80 2opu h ASN 43 Cb 0.64 -0.20 0.01 0.00 0.05 0.00 0.00 38.32 38.82 2opu h ASN 43 CO 0.04 0.61 -0.36 0.50 -1.65 0.00 0.00 177.43 176.57 2opu h LYS 44 N 0.90 -0.97 -0.85 0.81 1.63 0.06 -2.49 116.57 115.67 2opu h LYS 44 Ca 0.24 0.07 0.00 0.00 -0.85 0.00 0.00 60.65 60.10 2opu h LYS 44 Cb -0.03 0.22 -0.04 0.00 -0.60 0.00 0.00 32.23 31.78 2opu h LYS 44 CO -0.04 -0.62 0.53 0.82 -3.45 0.00 0.00 179.45 176.69 2opu h ILE 45 N -1.16 1.23 -0.25 2.00 5.03 -0.97 0.18 117.51 123.57 2opu h ILE 45 Ca -0.10 -0.46 -0.19 0.00 -0.12 0.00 0.00 64.86 63.99 2opu h ILE 45 Cb 0.79 0.01 0.00 0.00 -3.03 0.00 0.00 36.82 34.60 2opu h ILE 45 CO 0.17 0.23 -0.59 0.06 -0.68 0.00 0.00 178.15 177.34 2opu h GLN 46 N 1.15 0.84 -0.00 2.37 -0.00 -1.00 -0.86 115.11 117.60 2opu h GLN 46 Ca 0.31 -0.57 -0.15 0.00 -0.00 0.00 0.00 58.65 58.24 2opu h GLN 46 Cb -0.09 0.08 -0.02 0.00 -0.00 0.00 0.00 27.48 27.46 2opu h GLN 46 CO -0.06 1.20 -0.69 1.96 -0.00 0.00 0.00 178.83 181.23 2opu h GLN 47 N 0.61 0.02 -0.26 0.06 4.20 -1.26 0.55 115.11 119.04 2opu h GLN 47 Ca -0.00 -0.02 -0.09 0.00 0.06 0.00 0.00 58.65 58.60 2opu h GLN 47 Cb 1.21 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.98 2opu h GLN 47 CO 0.13 0.70 -0.19 0.22 -0.67 0.00 0.00 178.83 179.02 2opu h ASP 48 N 0.02 0.61 0.60 1.46 1.82 -0.50 -3.22 116.42 117.21 2opu h ASP 48 Ca -0.01 -0.44 -0.28 0.00 -0.39 0.00 0.00 57.03 55.91 2opu h ASP 48 Cb 1.22 -0.17 0.01 0.00 0.68 0.00 0.00 39.33 41.07 2opu h ASP 48 CO 0.09 0.93 -1.26 0.77 -1.61 0.00 0.00 179.24 178.15 2opu h SER 49 N 0.31 0.46 0.00 2.28 4.64 -1.16 -3.48 113.55 116.60 2opu h SER 49 Ca 0.05 -0.49 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 2opu h SER 49 Cb 0.73 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2opu h SER 49 CO 0.05 1.39 0.00 0.61 -0.87 0.00 0.00 176.83 178.01 2opu n GLY 50 N 1.55 1.07 3.83 -0.77 0.00 -0.01 -4.48 105.19 106.37 2opu n GLY 50 Ca -0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.35 3.65 -0.47 0.00 -0.14 0.22 -4.22 119.74 117.43 2opu s LYS 52 Ca 0.30 -2.14 -0.18 0.00 -1.36 0.00 0.00 55.97 52.59 2opu s LYS 52 Cb -0.17 -4.72 0.05 0.00 -1.68 0.00 0.00 37.83 31.31 2opu s LYS 52 CO 0.18 -1.56 0.51 0.08 -0.76 0.00 0.00 175.35 173.80 2opu s VAL 53 N 1.47 5.03 -0.26 3.17 1.01 -1.26 -3.15 120.40 126.41 2opu s VAL 53 Ca 0.27 -0.58 -0.08 0.00 0.00 0.00 0.00 61.98 61.60 2opu s VAL 53 Cb -0.07 -4.18 -0.02 0.00 0.00 0.00 0.00 36.38 32.11 2opu s VAL 53 CO -0.09 -0.63 0.08 -1.58 0.00 0.00 0.00 175.10 172.89 2opu s GLN 54 N 2.24 3.57 -0.29 2.72 2.00 -0.74 -4.94 119.66 124.21 2opu s GLN 54 Ca 0.12 -0.54 -0.29 0.00 -2.00 0.00 0.00 55.36 52.64 2opu s GLN 54 Cb -0.20 -3.37 0.01 0.00 0.80 0.00 0.00 33.01 30.26 2opu s GLN 54 CO 0.11 -0.24 1.12 0.42 -0.50 0.00 0.00 175.29 176.20 2opu s ILE 55 N 1.61 4.45 -0.32 -2.34 -1.09 -1.26 -1.18 121.20 121.06 2opu s ILE 55 Ca 0.06 1.68 -0.08 0.00 -2.23 0.00 0.00 60.65 60.09 2opu s ILE 55 Cb -0.16 -4.33 0.02 0.00 -1.58 0.00 0.00 42.46 36.42 2opu s ILE 55 CO 0.04 -0.41 0.11 -0.55 -1.23 0.00 0.00 174.94 172.90 2opu s SER 56 N 1.81 5.30 0.23 3.58 0.15 0.12 -4.95 113.70 119.94 2opu s SER 56 Ca 0.48 -0.85 -0.04 0.00 0.70 0.00 0.00 55.95 56.24 2opu s SER 56 Cb -0.14 -1.91 0.23 0.00 -1.71 0.00 0.00 66.02 62.49 2opu s SER 56 CO 0.15 -0.26 1.67 -0.65 1.20 0.00 0.00 173.24 175.36 2opu h PRO 57 N 8.27 0.80 -5.93 5.44 0.11 -1.95 -2.92 132.00 135.81 2opu h PRO 57 Ca -0.28 -0.28 -0.65 0.00 0.11 0.00 0.00 66.00 64.89 2opu h PRO 57 Cb 1.11 -0.06 -0.09 0.00 0.11 0.00 0.00 31.00 32.08 2opu h PRO 57 CO 0.61 0.89 1.97 -0.51 -0.21 0.00 0.00 178.00 180.75 2opu s ASP 58 N -6.71 6.73 0.00 -2.05 1.01 -1.26 -4.79 116.67 109.60 2opu s ASP 58 Ca -0.09 -2.13 0.15 0.00 0.71 0.00 0.00 52.55 51.19 2opu s ASP 58 Cb 0.14 -2.57 0.90 0.00 1.01 0.00 0.00 42.92 42.40 2opu s ASP 58 CO 0.83 -1.28 1.45 -1.20 0.21 0.00 0.00 175.17 175.18 2opu n SER 59 N 8.53 0.00 0.00 0.27 7.64 -1.26 -4.90 113.62 123.90 2opu n SER 59 Ca 0.44 -1.16 0.00 0.00 1.01 0.00 0.00 58.87 59.16 2opu n SER 59 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 2opu n SER 59 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2opu n GLY 60 N 0.50 1.94 0.01 0.23 0.00 -1.26 -2.19 105.19 104.41 2opu n GLY 60 Ca 0.11 0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.17 3.79 -0.02 0.00 -1.26 -4.90 105.19 101.62 2opu n GLY 61 Ca 0.00 -0.43 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 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 -3.26 3.95 0.22 0.99 2.01 -0.93 -5.01 118.68 116.66 2opu s LEU 62 Ca 0.08 0.23 0.23 0.00 0.01 0.00 0.00 54.13 54.68 2opu s LEU 62 Cb 0.16 -2.13 0.14 0.00 0.01 0.00 0.00 46.19 44.37 2opu s LEU 62 CO 0.77 0.33 1.20 1.55 1.01 0.00 0.00 176.35 181.21 2opu h PRO 63 N 4.55 0.00 0.00 1.29 0.13 -1.90 -3.37 132.00 132.70 2opu h PRO 63 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2opu h PRO 63 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2opu h PRO 63 CO 0.60 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.52 2opu n GLU 64 N -2.60 0.00 -3.48 0.86 0.28 -1.26 -4.97 120.64 109.47 2opu n GLU 64 Ca 0.01 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.86 2opu n GLU 64 Cb 0.52 -0.16 -0.04 0.00 1.43 0.00 0.00 31.44 33.18 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 0.00 1.14 0.01 3.44 6.06 0.43 -4.44 118.95 125.59 2opu s ARG 65 Ca 0.00 -0.05 0.00 0.00 -2.50 0.00 0.00 55.73 53.18 2opu s ARG 65 Cb 0.00 0.53 -0.01 0.00 0.06 0.00 0.00 34.95 35.53 2opu s ARG 65 CO 0.00 -0.42 -0.02 0.45 -2.50 0.00 0.00 175.30 172.81 2opu s SER 66 N -1.86 0.19 -0.04 -2.12 0.15 -1.10 -0.55 113.70 108.37 2opu s SER 66 Ca -0.06 -0.20 0.03 0.00 0.70 0.00 0.00 55.95 56.42 2opu s SER 66 Cb -0.00 0.03 0.00 0.00 -1.71 0.00 0.00 66.02 64.34 2opu s SER 66 CO -0.00 -0.10 -0.12 -0.69 1.20 0.00 0.00 173.24 173.53 2opu s VAL 67 N -0.56 1.03 -0.14 4.45 1.01 -0.16 -0.70 120.40 125.32 2opu s VAL 67 Ca -0.06 -0.49 -0.18 0.00 0.00 0.00 0.00 61.98 61.26 2opu s VAL 67 Cb -0.04 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.39 2opu s VAL 67 CO -0.00 0.31 0.46 -0.44 0.00 0.00 0.00 175.10 175.43 2opu s SER 68 N 0.20 6.62 -0.30 3.32 0.01 -0.33 -0.03 113.70 123.20 2opu s SER 68 Ca -0.05 0.73 -0.05 0.00 1.31 0.00 0.00 55.95 57.89 2opu s SER 68 Cb -0.10 -2.27 0.03 0.00 0.21 0.00 0.00 66.02 63.88 2opu s SER 68 CO 0.01 -0.02 0.06 -0.76 0.41 0.00 0.00 173.24 172.94 2opu s LEU 69 N 0.83 3.89 -0.04 2.44 2.01 0.43 -1.79 118.68 126.45 2opu s LEU 69 Ca 0.24 -0.92 -0.17 0.00 0.01 0.00 0.00 54.13 53.28 2opu s LEU 69 Cb -0.15 -1.82 0.03 0.00 0.01 0.00 0.00 46.19 44.26 2opu s LEU 69 CO 0.09 -0.23 0.38 -0.89 1.01 0.00 0.00 176.35 176.72 2opu s THR 70 N 1.42 0.04 0.00 5.49 2.01 -1.19 -0.76 115.64 122.65 2opu s THR 70 Ca 0.00 -0.32 0.00 0.00 0.31 0.00 0.00 61.69 61.68 2opu s THR 70 Cb -0.18 -0.67 0.00 0.00 0.01 0.00 0.00 72.50 71.66 2opu s THR 70 CO 0.01 -0.17 0.00 0.61 -0.69 0.00 0.00 174.62 174.38 2opu n GLY 71 N 1.50 -0.56 3.92 4.40 0.00 -1.07 0.69 105.19 114.07 2opu n GLY 71 Ca -0.20 -0.02 -0.21 0.00 0.00 0.00 0.00 46.02 45.59 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 3.95 0.20 4.61 0.00 -1.26 -3.70 121.76 124.56 2opu s ALA 72 Ca 0.00 -1.45 -0.13 0.00 0.00 0.00 0.00 51.96 50.39 2opu s ALA 72 Cb 0.00 -1.50 0.24 0.00 0.00 0.00 0.00 23.12 21.86 2opu s ALA 72 CO 0.00 0.09 1.67 -1.35 0.00 0.00 0.00 175.76 176.17 2opu h PRO 73 N 1.16 0.10 0.09 0.00 0.11 -1.99 0.37 132.00 131.83 2opu h PRO 73 Ca -0.47 -0.01 -0.26 0.00 0.11 0.00 0.00 66.00 65.37 2opu h PRO 73 Cb 1.25 -0.02 0.03 0.00 0.11 0.00 0.00 31.00 32.36 2opu h PRO 73 CO 0.58 0.06 -1.07 1.49 -0.21 0.00 0.00 178.00 178.85 2opu h GLU 74 N 0.10 0.57 -0.56 1.05 4.81 -1.95 -3.26 114.58 115.33 2opu h GLU 74 Ca 0.28 -0.73 -0.07 0.00 -0.13 0.00 0.00 59.36 58.71 2opu h GLU 74 Cb 0.45 0.24 -0.02 0.00 0.63 0.00 0.00 28.75 30.04 2opu h GLU 74 CO -0.49 1.32 0.06 0.66 -0.73 0.00 0.00 179.01 179.84 2opu h SER 75 N 0.16 0.91 0.35 1.04 4.64 -1.62 -1.51 113.55 117.51 2opu h SER 75 Ca -0.16 -0.27 -0.04 0.00 -0.47 0.00 0.00 61.79 60.85 2opu h SER 75 Cb 1.77 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 63.61 2opu h SER 75 CO 0.21 0.96 -0.17 1.62 -0.87 0.00 0.00 176.83 178.57 2opu h VAL 76 N 0.83 0.78 0.09 0.95 3.04 -0.41 0.13 116.25 121.67 2opu h VAL 76 Ca 0.17 -0.67 -0.28 0.00 -1.01 0.00 0.00 66.70 64.91 2opu h VAL 76 Cb 0.45 1.40 -0.01 0.00 -2.01 0.00 0.00 31.29 31.12 2opu h VAL 76 CO 0.02 0.17 -1.36 1.56 -1.01 0.00 0.00 177.57 176.94 2opu h GLN 77 N 0.00 0.19 -0.40 4.17 4.20 -1.46 -2.48 115.11 119.34 2opu h GLN 77 Ca -0.00 -0.33 -0.06 0.00 0.06 0.00 0.00 58.65 58.32 2opu h GLN 77 Cb 0.39 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 2opu h GLN 77 CO 0.02 1.08 0.02 -0.22 -0.67 0.00 0.00 178.83 179.07 2opu h LYS 78 N 0.05 0.68 -0.11 1.46 1.63 -0.48 0.16 116.57 119.97 2opu h LYS 78 Ca -0.17 -0.21 0.01 0.00 -0.85 0.00 0.00 60.65 59.43 2opu h LYS 78 Cb 1.96 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 33.51 2opu h LYS 78 CO 0.16 0.76 0.03 0.00 -3.45 0.00 0.00 179.45 176.96 2opu h ALA 79 N 0.90 0.11 0.00 5.00 0.00 -0.84 -2.67 119.26 121.77 2opu h ALA 79 Ca 0.12 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.04 2opu h ALA 79 Cb 0.44 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2opu h ALA 79 CO 0.02 -0.42 0.00 0.87 0.00 0.00 0.00 179.25 179.71 2opu h LYS 80 N 0.08 0.00 0.29 0.00 1.57 -1.36 -2.46 116.57 114.70 2opu h LYS 80 Ca 0.05 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 2opu h LYS 80 Cb 0.03 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 2opu h LYS 80 CO -0.05 0.00 -0.27 1.98 -0.57 0.00 0.00 179.45 180.54 2opu h MET 81 N 0.00 -0.57 -0.42 3.15 4.05 -0.34 0.26 114.93 121.06 2opu h MET 81 Ca 0.00 0.04 -0.06 0.00 -0.28 0.00 0.00 59.70 59.40 2opu h MET 81 Cb 0.85 0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 31.76 2opu h MET 81 CO 0.00 -0.38 -0.01 0.52 0.23 0.00 0.00 176.91 177.28 2opu h MET 82 N -0.59 0.67 0.49 0.39 2.86 -1.33 -2.51 114.93 114.92 2opu h MET 82 Ca -0.01 -0.17 -0.02 0.00 -2.06 0.00 0.00 59.70 57.44 2opu h MET 82 Cb 0.54 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.11 2opu h MET 82 CO -0.05 0.69 -0.24 -0.07 1.06 0.00 0.00 176.91 178.31 2opu h LEU 83 N 0.63 -0.56 -0.95 1.22 -0.00 -1.18 -2.75 115.31 111.73 2opu h LEU 83 Ca 0.13 -0.08 0.15 0.00 -0.00 0.00 0.00 57.88 58.08 2opu h LEU 83 Cb 0.41 0.14 -0.09 0.00 -0.00 0.00 0.00 40.66 41.12 2opu h LEU 83 CO 0.02 -0.20 0.56 -0.78 -0.00 0.00 0.00 178.44 178.04 2opu h ASP 84 N -0.96 0.76 0.36 -0.43 3.58 -0.51 0.21 116.42 119.43 2opu h ASP 84 Ca -0.07 0.08 -0.00 0.00 0.42 0.00 0.00 57.03 57.45 2opu h ASP 84 Cb 0.60 -0.06 -0.03 0.00 1.72 0.00 0.00 39.33 41.55 2opu h ASP 84 CO 0.11 0.34 -0.52 -0.78 -2.88 0.00 0.00 179.24 175.51 2opu h ASP 85 N 0.81 -1.48 0.01 2.28 1.82 -1.34 0.51 116.42 119.03 2opu h ASP 85 Ca 0.51 0.13 -0.15 0.00 -0.39 0.00 0.00 57.03 57.13 2opu h ASP 85 Cb 0.66 0.51 0.01 0.00 0.68 0.00 0.00 39.33 41.20 2opu h ASP 85 CO -0.33 -0.63 -0.61 0.40 -1.61 0.00 0.00 179.24 176.46 2opu h ILE 86 N -0.92 1.44 -0.99 2.25 5.03 -1.16 -2.62 117.51 120.53 2opu h ILE 86 Ca -0.04 -2.12 0.03 0.00 -0.12 0.00 0.00 64.86 62.61 2opu h ILE 86 Cb 0.84 2.66 -0.05 0.00 -3.03 0.00 0.00 36.82 37.23 2opu h ILE 86 CO -0.15 0.61 0.65 0.58 -0.68 0.00 0.00 178.15 179.17 2opu h VAL 87 N -0.14 1.20 -0.33 1.67 2.07 -0.62 -1.40 116.25 118.70 2opu h VAL 87 Ca -0.08 -0.44 -0.16 0.00 0.82 0.00 0.00 66.70 66.84 2opu h VAL 87 Cb 1.34 -0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2opu h VAL 87 CO 0.12 0.23 -0.44 -1.28 0.02 0.00 0.00 177.57 176.22 2opu h SER 88 N 1.28 0.92 0.65 0.57 0.87 -0.93 0.26 113.55 117.17 2opu h SER 88 Ca 0.38 -0.44 0.00 0.00 -1.23 0.00 0.00 61.79 60.50 2opu h SER 88 Cb -0.05 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 61.65 2opu h SER 88 CO -0.11 1.22 0.00 -2.11 -0.53 0.00 0.00 176.83 175.30 2opu n ARG 89 N -4.03 0.22 0.00 2.24 1.85 -0.80 -2.60 116.66 113.54 2opu n ARG 89 Ca -0.03 0.05 0.00 0.00 -1.00 0.00 0.00 57.85 56.87 2opu n ARG 89 Cb 0.57 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.48 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 1.01 -0.99 3.15 2.89 0.00 -0.59 -4.93 105.19 105.72 2opu n GLY 90 Ca 0.10 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.07 0.45 0.00 1.61 6.06 0.89 -4.82 118.95 123.07 2opu s ARG 91 Ca 0.00 0.47 0.00 0.00 -2.50 0.00 0.00 55.73 53.70 2opu s ARG 91 Cb 0.00 0.22 0.00 0.00 0.06 0.00 0.00 34.95 35.23 2opu s ARG 91 CO 0.00 -0.81 0.00 0.41 -2.50 0.00 0.00 175.30 172.40 2opu n GLY 92 N 5.35 -0.03 0.00 8.12 0.00 -1.24 -3.93 105.19 113.45 2opu n GLY 92 Ca 0.05 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.80 2opu n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93