#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 5.13 0.00 4.38 0.01 -1.26 -4.38 113.70 117.58 2opu s SER 6 Ca 0.00 1.00 0.00 0.00 1.31 0.00 0.00 55.95 58.26 2opu s SER 6 Cb 0.00 -1.70 0.00 0.00 0.21 0.00 0.00 66.02 64.53 2opu s SER 6 CO 0.00 -1.52 0.00 -0.24 0.41 0.00 0.00 173.24 171.89 2opu n SER 7 N -3.10 0.00 -3.74 2.44 2.88 -0.79 -4.72 113.62 106.59 2opu n SER 7 Ca 0.07 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.49 2opu n SER 7 Cb 0.58 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.93 2opu n SER 7 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2opu s GLN 8 N 0.00 0.35 -0.07 -1.46 -0.21 -1.26 -0.78 119.66 116.23 2opu s GLN 8 Ca 0.00 0.52 0.03 0.00 0.02 0.00 0.00 55.36 55.94 2opu s GLN 8 Cb 0.00 0.09 -0.02 0.00 1.00 0.00 0.00 33.01 34.08 2opu s GLN 8 CO 0.00 -0.09 -0.16 -1.17 -2.12 0.00 0.00 175.29 171.75 2opu s LEU 9 N 0.58 2.60 -0.45 2.90 2.96 0.17 -4.26 118.68 123.18 2opu s LEU 9 Ca -0.03 -0.29 0.07 0.00 -0.22 0.00 0.00 54.13 53.65 2opu s LEU 9 Cb -0.05 -1.53 0.29 0.00 0.50 0.00 0.00 46.19 45.40 2opu s LEU 9 CO -0.03 0.28 0.96 0.61 -1.32 0.00 0.00 176.35 176.84 2opu n GLY 10 N 2.77 0.93 0.15 7.98 0.00 -1.25 -1.79 105.19 113.98 2opu n GLY 10 Ca -0.17 -0.25 0.12 0.00 0.00 0.00 0.00 46.02 45.71 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 3.38 0.00 -5.47 1.61 0.13 -1.90 -3.46 132.00 126.29 2opu h PRO 11 Ca -0.08 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.51 2opu h PRO 11 Cb 1.05 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.88 2opu h PRO 11 CO 0.26 0.00 -0.83 0.42 -0.23 0.00 0.00 178.00 177.62 2opu s ILE 12 N -3.30 1.32 -0.55 -3.56 1.01 -1.26 -5.07 121.20 109.80 2opu s ILE 12 Ca 0.02 -0.70 0.23 0.00 0.00 0.00 0.00 60.65 60.21 2opu s ILE 12 Cb 0.08 -1.11 -0.05 0.00 0.01 0.00 0.00 42.46 41.39 2opu s ILE 12 CO 0.75 0.38 1.11 1.57 0.00 0.00 0.00 174.94 178.74 2opu n HIS 13 N 2.81 0.46 -0.34 3.97 -0.00 -1.26 -4.53 115.22 116.33 2opu n HIS 13 Ca -0.16 0.13 -0.26 0.00 0.46 0.00 0.00 57.72 57.90 2opu n HIS 13 Cb 0.54 -0.59 0.24 0.00 -0.12 0.00 0.00 29.99 30.06 2opu n HIS 13 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2opu n PRO 14 N -2.13 -3.88 -1.18 1.57 -0.04 -1.26 -4.91 135.00 123.17 2opu n PRO 14 Ca 0.02 -1.15 -0.38 0.00 -0.04 0.00 0.00 63.50 61.95 2opu n PRO 14 Cb 0.46 -1.78 0.02 0.00 -0.04 0.00 0.00 33.50 32.16 2opu n PRO 14 CO 0.00 0.00 0.00 -2.30 -0.04 0.00 0.00 175.50 173.16 2opu n PRO 15 N -4.38 0.01 -0.13 0.54 -0.02 -1.26 -4.57 135.00 125.18 2opu n PRO 15 Ca 0.10 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 2opu n PRO 15 Cb 0.51 -1.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.97 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 1.76 0.55 0.16 0.52 -0.04 -1.26 -3.39 135.00 133.31 2opu n PRO 16 Ca 0.05 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.63 2opu n PRO 16 Cb 0.50 -1.22 0.08 0.00 -0.04 0.00 0.00 33.50 32.82 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 1.60 0.00 0.00 0.54 3.08 -1.82 0.13 114.38 117.91 2opu h ARG 17 Ca 0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.02 2opu h ARG 17 Cb 0.55 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.57 2opu h ARG 17 CO 0.00 0.01 -0.07 -2.37 -1.07 0.00 0.00 179.97 176.47 2opu n THR 18 N -2.90 0.00 0.00 2.04 5.66 -1.22 -4.49 114.28 113.37 2opu n THR 18 Ca 0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.02 2opu n THR 18 Cb 0.55 0.13 0.00 0.00 -1.55 0.00 0.00 70.33 69.45 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 -1.24 -4.71 113.62 107.08 2opu n SER 19 Ca -0.07 0.00 -0.42 0.00 -1.33 0.00 0.00 58.87 57.05 2opu n SER 19 Cb 0.45 0.00 -0.00 0.00 -0.75 0.00 0.00 64.21 63.91 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 3.07 -2.85 -1.46 0.00 -1.25 -3.94 117.12 110.69 2opu n MET 20 Ca 0.00 -3.20 -0.42 0.00 0.00 0.00 0.00 57.70 54.07 2opu n MET 20 Cb 0.00 -3.51 -0.04 0.00 0.00 0.00 0.00 33.22 29.67 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 4.74 4.65 -0.30 3.17 2.01 -0.74 -4.69 115.64 124.48 2opu s THR 21 Ca 0.55 1.16 -0.17 0.00 0.31 0.00 0.00 61.69 63.54 2opu s THR 21 Cb 0.04 -4.28 -0.02 0.00 0.01 0.00 0.00 72.50 68.24 2opu s THR 21 CO 0.08 -0.46 0.45 -0.70 -0.69 0.00 0.00 174.62 173.30 2opu s GLU 22 N 3.32 3.86 -0.50 4.92 2.12 -0.76 0.42 118.70 132.08 2opu s GLU 22 Ca 0.36 0.00 -0.20 0.00 0.36 0.00 0.00 54.97 55.49 2opu s GLU 22 Cb -0.13 -3.72 0.05 0.00 0.26 0.00 0.00 34.13 30.60 2opu s GLU 22 CO 0.17 -0.43 0.67 -2.00 -0.54 0.00 0.00 175.26 173.12 2opu s GLU 23 N 2.22 3.17 -0.25 4.30 2.12 0.04 -0.71 118.70 129.60 2opu s GLU 23 Ca 0.17 -0.73 -0.18 0.00 0.36 0.00 0.00 54.97 54.59 2opu s GLU 23 Cb -0.16 -4.07 -0.03 0.00 0.26 0.00 0.00 34.13 30.14 2opu s GLU 23 CO 0.11 -1.22 0.53 0.71 -0.54 0.00 0.00 175.26 174.85 2opu s TYR 24 N 2.83 3.29 -0.65 5.30 1.51 0.73 -1.88 117.35 128.48 2opu s TYR 24 Ca 0.18 0.69 -0.24 0.00 -1.01 0.00 0.00 57.07 56.69 2opu s TYR 24 Cb -0.17 -2.72 0.06 0.00 -0.11 0.00 0.00 41.96 39.01 2opu s TYR 24 CO 0.14 -0.25 1.02 1.03 -1.11 0.00 0.00 175.55 176.38 2opu s ARG 25 N 2.18 3.17 -0.12 -0.62 0.52 -1.26 -1.12 118.95 121.69 2opu s ARG 25 Ca 0.22 -0.60 0.01 0.00 -0.52 0.00 0.00 55.73 54.85 2opu s ARG 25 Cb -0.16 -4.18 -0.01 0.00 0.52 0.00 0.00 34.95 31.13 2opu s ARG 25 CO 0.09 -1.80 -0.17 0.54 0.02 0.00 0.00 175.30 173.98 2opu s VAL 26 N 4.33 2.65 0.64 3.52 0.11 -0.38 -4.79 120.40 126.49 2opu s VAL 26 Ca 0.26 -0.80 -0.18 0.00 -2.93 0.00 0.00 61.98 58.33 2opu s VAL 26 Cb -0.14 -2.09 -0.03 0.00 -1.53 0.00 0.00 36.38 32.59 2opu s VAL 26 CO 0.13 0.53 1.10 -2.65 -3.33 0.00 0.00 175.10 170.88 2opu n PRO 27 N 3.61 0.93 -0.20 1.54 -0.02 -1.26 -1.31 135.00 138.28 2opu n PRO 27 Ca -0.19 0.37 -0.03 0.00 -2.02 0.00 0.00 63.50 61.63 2opu n PRO 27 Cb 0.53 -2.32 0.07 0.00 -0.02 0.00 0.00 33.50 31.76 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 0.39 0.50 0.67 2.55 3.58 -1.93 0.46 116.42 122.63 2opu h ASP 28 Ca -0.49 0.02 -0.13 0.00 0.42 0.00 0.00 57.03 56.85 2opu h ASP 28 Cb 1.35 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 42.31 2opu h ASP 28 CO 0.51 0.33 -0.63 1.23 -2.88 0.00 0.00 179.24 177.80 2opu h GLY 29 N 0.63 0.00 2.00 -0.78 0.00 -1.99 -2.80 103.07 100.12 2opu h GLY 29 Ca 0.26 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.42 2opu h GLY 29 CO -0.15 0.00 -0.80 1.98 0.00 0.00 0.00 176.54 177.56 2opu h MET 30 N 0.00 0.00 0.00 4.80 1.85 -1.49 -2.17 114.93 117.92 2opu h MET 30 Ca -0.01 0.00 -0.08 0.00 -0.61 0.00 0.00 59.70 59.01 2opu h MET 30 Cb 1.14 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 33.16 2opu h MET 30 CO 0.08 0.80 -0.37 -0.24 -0.40 0.00 0.00 176.91 176.78 2opu h VAL 31 N 0.00 0.78 -0.29 -5.77 3.04 -0.16 -0.53 116.25 113.32 2opu h VAL 31 Ca -0.01 -1.62 0.03 0.00 -1.01 0.00 0.00 66.70 64.10 2opu h VAL 31 Cb 1.54 2.03 -0.02 0.00 -2.01 0.00 0.00 31.29 32.84 2opu h VAL 31 CO 0.10 0.36 0.20 1.23 -1.01 0.00 0.00 177.57 178.46 2opu h GLY 32 N 2.50 0.31 1.79 3.17 0.00 -1.12 -0.08 103.07 109.64 2opu h GLY 32 Ca -0.00 -0.11 -0.05 0.00 0.00 0.00 0.00 47.33 47.17 2opu h GLY 32 CO 0.05 0.09 -0.40 1.41 0.00 0.00 0.00 176.54 177.69 2opu h LEU 33 N 0.27 0.00 -0.47 3.11 3.38 -0.94 -0.64 115.31 120.03 2opu h LEU 33 Ca 0.12 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 2opu h LEU 33 Cb 0.15 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.88 2opu h LEU 33 CO -0.02 0.21 0.26 0.40 0.09 0.00 0.00 178.44 179.38 2opu h ILE 34 N 0.00 1.16 0.00 1.22 1.08 0.48 -1.41 117.51 120.05 2opu h ILE 34 Ca -0.01 -0.39 0.00 0.00 -0.39 0.00 0.00 64.86 64.06 2opu h ILE 34 Cb 1.17 0.57 0.00 0.00 -3.07 0.00 0.00 36.82 35.50 2opu h ILE 34 CO 0.03 0.17 -0.15 2.30 -0.69 0.00 0.00 178.15 179.80 2opu n ILE 35 N -4.69 0.50 0.00 -0.67 -5.35 -0.49 -3.59 119.36 105.06 2opu n ILE 35 Ca 0.01 -0.26 0.00 0.00 -0.27 0.00 0.00 62.75 62.23 2opu n ILE 35 Cb 0.07 -0.46 0.00 0.00 -1.74 0.00 0.00 39.64 37.51 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 0.19 0.00 3.28 0.00 -0.25 -1.79 105.19 107.95 2opu n GLY 36 Ca 0.05 0.70 0.10 0.00 0.00 0.00 0.00 46.02 46.88 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 0.70 0.00 1.61 1.85 -1.26 -4.74 116.66 114.82 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 -1.46 0.00 0.00 -1.05 0.00 0.00 32.46 29.95 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 0.39 1.11 0.00 2.89 0.00 -0.74 -4.78 105.19 104.06 2opu n GLY 38 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 1.91 0.34 -0.02 0.00 -0.75 -4.97 105.19 101.71 2opu n GLY 39 Ca 0.00 -0.14 0.05 0.00 0.00 0.00 0.00 46.02 45.93 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 0.70 -0.32 1.61 4.22 -1.87 -3.02 114.58 115.90 2opu h GLU 40 Ca 0.00 -0.04 0.01 0.00 0.08 0.00 0.00 59.36 59.41 2opu h GLU 40 Cb 0.00 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 2opu h GLU 40 CO 0.00 0.46 0.18 0.37 -2.18 0.00 0.00 179.01 177.85 2opu h GLN 41 N 0.72 0.37 -0.31 1.92 -0.00 -1.83 0.25 115.11 116.23 2opu h GLN 41 Ca 0.25 -0.02 -0.12 0.00 -0.00 0.00 0.00 58.65 58.76 2opu h GLN 41 Cb 0.09 -0.08 -0.01 0.00 0.00 0.00 0.00 27.48 27.47 2opu h GLN 41 CO -0.07 0.24 -0.29 0.97 0.00 0.00 0.00 178.83 179.69 2opu h ILE 42 N 0.38 1.28 -0.67 2.39 6.09 -1.59 -0.13 117.51 125.26 2opu h ILE 42 Ca 0.13 -1.39 -0.03 0.00 -1.37 0.00 0.00 64.86 62.20 2opu h ILE 42 Cb 0.01 1.35 -0.03 0.00 0.47 0.00 0.00 36.82 38.62 2opu h ILE 42 CO -0.06 0.45 0.29 0.78 -3.07 0.00 0.00 178.15 176.54 2opu h ASN 43 N 0.55 0.88 0.42 2.19 2.35 -1.22 0.42 115.58 121.17 2opu h ASN 43 Ca 0.07 -0.11 -0.02 0.00 -0.55 0.00 0.00 56.30 55.69 2opu h ASN 43 Cb 0.77 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 38.92 2opu h ASN 43 CO 0.06 0.77 -0.20 0.50 -1.65 0.00 0.00 177.43 176.91 2opu h LYS 44 N 0.96 -0.54 -0.32 0.81 3.64 0.13 0.11 116.57 121.35 2opu h LYS 44 Ca 0.23 0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.62 2opu h LYS 44 Cb 0.15 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 2opu h LYS 44 CO -0.02 -0.32 0.08 0.82 -2.27 0.00 0.00 179.45 177.74 2opu h ILE 45 N -0.65 1.22 -0.50 2.00 1.08 -0.75 0.18 117.51 120.09 2opu h ILE 45 Ca -0.06 -0.73 0.03 0.00 -0.39 0.00 0.00 64.86 63.71 2opu h ILE 45 Cb 0.48 1.09 -0.04 0.00 -3.07 0.00 0.00 36.82 35.28 2opu h ILE 45 CO 0.09 0.24 0.29 1.56 -0.69 0.00 0.00 178.15 179.65 2opu h GLN 46 N 0.35 0.55 -0.32 2.37 4.20 -0.16 0.14 115.11 122.24 2opu h GLN 46 Ca 0.10 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.66 2opu h GLN 46 Cb 0.29 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 2opu h GLN 46 CO 0.00 0.37 -0.23 0.37 -0.67 0.00 0.00 178.83 178.66 2opu h GLN 47 N 0.57 0.73 -0.45 1.46 -0.00 -0.63 0.20 115.11 116.99 2opu h GLN 47 Ca 0.21 -0.35 0.04 0.00 -0.00 0.00 0.00 58.65 58.54 2opu h GLN 47 Cb 0.05 -0.00 -0.04 0.00 0.00 0.00 0.00 27.48 27.49 2opu h GLN 47 CO -0.11 0.97 0.23 0.22 0.00 0.00 0.00 178.83 180.13 2opu h ASP 48 N 0.49 0.33 0.04 -0.69 3.58 -0.28 -3.21 116.42 116.69 2opu h ASP 48 Ca 0.06 0.02 -0.08 0.00 0.42 0.00 0.00 57.03 57.46 2opu h ASP 48 Cb 0.79 -0.04 0.01 0.00 1.72 0.00 0.00 39.33 41.81 2opu h ASP 48 CO 0.06 0.24 -0.33 0.77 -2.88 0.00 0.00 179.24 177.10 2opu h SER 49 N 0.46 0.22 0.00 2.28 4.64 -0.67 -3.48 113.55 116.99 2opu h SER 49 Ca 0.19 -0.90 0.00 0.00 -0.47 0.00 0.00 61.79 60.61 2opu h SER 49 Cb 0.10 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2opu h SER 49 CO -0.13 1.10 0.00 0.61 -0.87 0.00 0.00 176.83 177.54 2opu n GLY 50 N 1.41 0.82 3.80 -0.77 0.00 0.71 -4.24 105.19 106.92 2opu n GLY 50 Ca -0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 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 0.91 3.44 -2.68 0.00 5.02 0.13 -4.76 118.16 120.22 2opu n LYS 52 Ca -0.03 -3.80 -0.43 0.00 -2.02 0.00 0.00 58.31 52.04 2opu n LYS 52 Cb 0.50 -3.00 -0.03 0.00 -0.02 0.00 0.00 35.03 32.49 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 4.21 -0.51 -0.18 1.01 -1.26 -3.79 120.40 121.06 2opu s VAL 53 Ca 0.42 0.84 -0.22 0.00 0.00 0.00 0.00 61.98 63.01 2opu s VAL 53 Cb -0.00 -4.61 0.04 0.00 0.00 0.00 0.00 36.38 31.81 2opu s VAL 53 CO 0.00 -1.13 0.79 -1.58 0.00 0.00 0.00 175.10 173.19 2opu s GLN 54 N 4.43 3.27 -0.83 2.72 2.00 -0.45 -4.91 119.66 125.89 2opu s GLN 54 Ca 0.41 -0.46 -0.21 0.00 -2.00 0.00 0.00 55.36 53.10 2opu s GLN 54 Cb -0.09 -4.04 0.10 0.00 0.80 0.00 0.00 33.01 29.78 2opu s GLN 54 CO 0.26 -1.31 1.09 0.42 -0.50 0.00 0.00 175.29 175.25 2opu s ILE 55 N 3.33 4.49 -0.51 -2.34 -1.09 -1.26 -0.69 121.20 123.12 2opu s ILE 55 Ca 0.25 -1.01 -0.21 0.00 -2.23 0.00 0.00 60.65 57.45 2opu s ILE 55 Cb -0.15 -4.77 0.05 0.00 -1.58 0.00 0.00 42.46 36.01 2opu s ILE 55 CO 0.17 -1.53 0.71 -0.44 -1.23 0.00 0.00 174.94 172.62 2opu s SER 56 N 3.78 6.26 0.20 3.58 0.01 -0.60 -4.92 113.70 122.01 2opu s SER 56 Ca 0.30 -0.70 0.00 0.00 1.31 0.00 0.00 55.95 56.86 2opu s SER 56 Cb -0.09 -2.33 0.13 0.00 0.21 0.00 0.00 66.02 63.94 2opu s SER 56 CO -0.02 -0.97 1.49 -0.65 0.41 0.00 0.00 173.24 173.51 2opu h PRO 57 N 9.06 0.37 0.00 12.44 0.11 -1.90 -2.70 132.00 149.38 2opu h PRO 57 Ca -0.27 -0.27 0.00 0.00 0.11 0.00 0.00 66.00 65.57 2opu h PRO 57 Cb 1.09 0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2opu h PRO 57 CO 0.99 0.90 -0.01 -0.40 -0.21 0.00 0.00 178.00 179.26 2opu n ASP 58 N -3.87 0.37 0.00 -2.05 5.75 -1.26 -4.77 116.55 110.73 2opu n ASP 58 Ca -0.03 0.52 0.00 0.00 -0.01 0.00 0.00 54.79 55.27 2opu n ASP 58 Cb 0.66 -0.61 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 2opu n ASP 58 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 2opu n SER 59 N -1.84 0.00 0.00 -1.12 3.41 -1.05 -4.82 113.62 108.20 2opu n SER 59 Ca 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.67 2opu n SER 59 Cb 0.38 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 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 2.32 0.08 5.00 0.00 -1.26 -4.74 105.19 106.59 2opu n GLY 60 Ca 0.00 -0.71 0.15 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.83 3.20 -0.02 0.00 -1.26 -4.85 105.19 101.42 2opu n GLY 61 Ca 0.00 -0.24 -0.23 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.98 2.18 0.15 0.99 1.02 -1.26 -5.03 118.68 114.75 2opu s LEU 62 Ca 0.45 -0.50 0.24 0.00 0.02 0.00 0.00 54.13 54.35 2opu s LEU 62 Cb 0.21 -0.77 0.43 0.00 0.02 0.00 0.00 46.19 46.08 2opu s LEU 62 CO 0.36 0.09 1.41 1.55 0.02 0.00 0.00 176.35 179.77 2opu h PRO 63 N 4.84 0.00 0.00 1.29 0.13 -1.95 -3.44 132.00 132.87 2opu h PRO 63 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2opu h PRO 63 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2opu h PRO 63 CO 0.44 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.36 2opu n GLU 64 N -2.18 0.00 -4.10 0.86 -0.00 -1.26 -4.96 120.64 108.99 2opu n GLU 64 Ca 0.04 0.00 -0.18 0.00 -0.00 0.00 0.00 57.16 57.01 2opu n GLU 64 Cb 0.44 0.00 -0.16 0.00 -0.00 0.00 0.00 31.44 31.72 2opu n GLU 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 2opu s ARG 65 N 1.25 0.61 -0.31 3.44 6.06 -0.43 -4.70 118.95 124.87 2opu s ARG 65 Ca 0.00 -0.06 -0.07 0.00 -2.50 0.00 0.00 55.73 53.10 2opu s ARG 65 Cb 0.00 -0.67 0.02 0.00 0.06 0.00 0.00 34.95 34.36 2opu s ARG 65 CO 0.00 -0.07 0.09 -1.54 -2.50 0.00 0.00 175.30 171.28 2opu s SER 66 N 0.80 5.20 -0.27 -2.12 1.04 -1.04 -1.25 113.70 116.06 2opu s SER 66 Ca -0.10 -0.87 -0.09 0.00 0.48 0.00 0.00 55.95 55.37 2opu s SER 66 Cb -0.13 -1.88 -0.03 0.00 0.10 0.00 0.00 66.02 64.08 2opu s SER 66 CO -0.00 -0.25 0.14 -0.69 0.98 0.00 0.00 173.24 173.42 2opu s VAL 67 N 1.46 4.80 -0.15 5.02 1.01 -0.28 -1.56 120.40 130.70 2opu s VAL 67 Ca 0.01 -0.06 -0.21 0.00 0.00 0.00 0.00 61.98 61.72 2opu s VAL 67 Cb -0.18 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.88 2opu s VAL 67 CO 0.03 0.26 0.62 -0.44 0.00 0.00 0.00 175.10 175.57 2opu s SER 68 N 1.68 6.77 -0.47 3.32 0.01 0.13 -0.19 113.70 124.95 2opu s SER 68 Ca 0.06 0.93 -0.13 0.00 1.31 0.00 0.00 55.95 58.12 2opu s SER 68 Cb -0.16 -2.35 0.09 0.00 0.21 0.00 0.00 66.02 63.80 2opu s SER 68 CO 0.07 -0.18 0.37 -0.76 0.41 0.00 0.00 173.24 173.15 2opu s LEU 69 N 1.38 5.58 -0.04 2.44 2.01 0.11 -1.34 118.68 128.81 2opu s LEU 69 Ca 0.31 -1.48 -0.17 0.00 0.01 0.00 0.00 54.13 52.80 2opu s LEU 69 Cb -0.16 -2.12 0.03 0.00 0.01 0.00 0.00 46.19 43.95 2opu s LEU 69 CO 0.12 -0.65 0.38 -0.89 1.01 0.00 0.00 176.35 176.33 2opu s THR 70 N 1.56 0.04 0.00 5.49 2.01 -1.25 -1.82 115.64 121.67 2opu s THR 70 Ca 0.04 -0.32 0.00 0.00 0.31 0.00 0.00 61.69 61.71 2opu s THR 70 Cb -0.25 -0.66 0.00 0.00 0.01 0.00 0.00 72.50 71.60 2opu s THR 70 CO 0.04 -0.18 0.00 0.61 -0.69 0.00 0.00 174.62 174.41 2opu n GLY 71 N 1.49 -1.76 3.17 4.40 0.00 0.46 0.23 105.19 113.17 2opu n GLY 71 Ca -0.20 0.70 -0.08 0.00 0.00 0.00 0.00 46.02 46.44 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 0.31 0.17 4.61 0.00 -1.25 -2.96 121.76 121.64 2opu s ALA 72 Ca 0.00 -1.06 -0.24 0.00 0.00 0.00 0.00 51.96 50.66 2opu s ALA 72 Cb 0.00 0.55 0.05 0.00 0.00 0.00 0.00 23.12 23.72 2opu s ALA 72 CO 0.00 -0.48 1.58 -1.35 0.00 0.00 0.00 175.76 175.51 2opu h PRO 73 N 2.89 -0.24 0.06 0.00 0.11 -1.98 0.59 132.00 133.43 2opu h PRO 73 Ca -0.34 0.02 -0.27 0.00 0.11 0.00 0.00 66.00 65.51 2opu h PRO 73 Cb 1.18 0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 2opu h PRO 73 CO 0.59 -0.16 -1.39 1.49 -0.21 0.00 0.00 178.00 178.33 2opu h GLU 74 N -0.25 0.14 -0.35 1.05 4.81 -1.98 -3.29 114.58 114.71 2opu h GLU 74 Ca 0.18 -0.23 -0.04 0.00 -0.13 0.00 0.00 59.36 59.14 2opu h GLU 74 Cb 0.56 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 30.02 2opu h GLU 74 CO -0.62 0.98 0.08 0.77 -0.73 0.00 0.00 179.01 179.49 2opu h SER 75 N 0.04 0.54 0.69 1.04 0.02 -1.58 -2.65 113.55 111.64 2opu h SER 75 Ca -0.17 -0.24 -0.07 0.00 -0.84 0.00 0.00 61.79 60.47 2opu h SER 75 Cb 1.94 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 64.33 2opu h SER 75 CO 0.14 0.64 -0.31 1.62 -1.14 0.00 0.00 176.83 177.77 2opu h VAL 76 N 0.42 0.85 -0.19 2.27 3.04 0.03 -1.90 116.25 120.76 2opu h VAL 76 Ca 0.11 -1.27 -0.11 0.00 -1.01 0.00 0.00 66.70 64.42 2opu h VAL 76 Cb 0.31 1.77 -0.00 0.00 -2.01 0.00 0.00 31.29 31.36 2opu h VAL 76 CO 0.00 0.31 -0.31 -0.61 -1.01 0.00 0.00 177.57 175.95 2opu h GLN 77 N 0.00 0.54 -0.37 4.17 4.15 -1.57 -1.69 115.11 120.35 2opu h GLN 77 Ca -0.00 -0.33 -0.06 0.00 0.77 0.00 0.00 58.65 59.03 2opu h GLN 77 Cb 0.74 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.46 2opu h GLN 77 CO 0.04 0.94 0.00 -0.22 -1.93 0.00 0.00 178.83 177.66 2opu h LYS 78 N 0.21 0.65 -0.38 1.69 1.63 -1.22 0.56 116.57 119.71 2opu h LYS 78 Ca 0.01 -0.20 0.07 0.00 -0.85 0.00 0.00 60.65 59.68 2opu h LYS 78 Cb 0.89 -0.06 -0.06 0.00 -0.60 0.00 0.00 32.23 32.41 2opu h LYS 78 CO 0.07 0.75 0.01 0.00 -3.45 0.00 0.00 179.45 176.83 2opu h ALA 79 N 0.87 0.36 0.00 5.00 0.00 -1.37 -2.14 119.26 121.98 2opu h ALA 79 Ca 0.10 0.10 -0.06 0.00 0.00 0.00 0.00 54.91 55.06 2opu h ALA 79 Cb 0.46 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2opu h ALA 79 CO 0.02 -0.38 -0.28 0.87 0.00 0.00 0.00 179.25 179.47 2opu h LYS 80 N 0.12 0.00 -0.02 0.00 1.57 -1.04 -2.53 116.57 114.68 2opu h LYS 80 Ca 0.18 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.85 2opu h LYS 80 Cb 0.25 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 2opu h LYS 80 CO -0.30 0.28 -0.50 0.00 -0.57 0.00 0.00 179.45 178.36 2opu h MET 81 N 0.00 0.05 0.06 3.15 -0.00 -0.21 0.35 114.93 118.33 2opu h MET 81 Ca -0.00 -0.03 -0.25 0.00 -0.00 0.00 0.00 59.70 59.42 2opu h MET 81 Cb 0.77 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.38 2opu h MET 81 CO 0.04 0.55 -1.08 0.52 -0.00 0.00 0.00 176.91 176.93 2opu h MET 82 N 0.04 0.40 -0.07 -0.10 2.86 -1.33 -2.66 114.93 114.08 2opu h MET 82 Ca -0.00 -0.51 -0.00 0.00 -2.06 0.00 0.00 59.70 57.12 2opu h MET 82 Cb 0.91 0.16 -0.00 0.00 0.06 0.00 0.00 31.60 32.73 2opu h MET 82 CO 0.07 1.18 0.02 -0.07 1.06 0.00 0.00 176.91 179.18 2opu h LEU 83 N 0.19 0.10 -0.64 1.22 -0.00 -1.00 -1.42 115.31 113.75 2opu h LEU 83 Ca -0.11 -0.19 0.04 0.00 -0.00 0.00 0.00 57.88 57.62 2opu h LEU 83 Cb 1.75 -0.03 -0.05 0.00 -0.00 0.00 0.00 40.66 42.34 2opu h LEU 83 CO 0.19 0.26 0.38 -0.78 -0.00 0.00 0.00 178.44 178.49 2opu h ASP 84 N -0.07 0.60 0.48 -0.43 1.82 -0.43 0.18 116.42 118.57 2opu h ASP 84 Ca 0.02 0.01 -0.01 0.00 -0.39 0.00 0.00 57.03 56.66 2opu h ASP 84 Cb 0.19 -0.11 -0.02 0.00 0.68 0.00 0.00 39.33 40.07 2opu h ASP 84 CO -0.00 0.41 -0.49 -0.78 -1.61 0.00 0.00 179.24 176.77 2opu h ASP 85 N 0.73 -1.33 -0.11 2.28 1.82 -1.23 -0.26 116.42 118.33 2opu h ASP 85 Ca 0.27 0.11 -0.10 0.00 -0.39 0.00 0.00 57.03 56.92 2opu h ASP 85 Cb 0.09 0.44 0.00 0.00 0.68 0.00 0.00 39.33 40.54 2opu h ASP 85 CO -0.14 -0.64 -0.33 0.40 -1.61 0.00 0.00 179.24 176.92 2opu h ILE 86 N -0.97 1.39 0.00 2.25 5.03 -1.15 -2.76 117.51 121.30 2opu h ILE 86 Ca -0.05 -1.65 -0.07 0.00 -0.12 0.00 0.00 64.86 62.97 2opu h ILE 86 Cb 0.85 2.16 -0.01 0.00 -3.03 0.00 0.00 36.82 36.79 2opu h ILE 86 CO -0.07 0.49 -0.31 0.58 -0.68 0.00 0.00 178.15 178.15 2opu h VAL 87 N -0.03 1.09 -0.35 1.67 2.07 -0.67 0.59 116.25 120.62 2opu h VAL 87 Ca -0.01 -1.12 -0.13 0.00 0.82 0.00 0.00 66.70 66.25 2opu h VAL 87 Cb 0.95 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.34 2opu h VAL 87 CO 0.07 0.31 -0.31 -1.28 0.02 0.00 0.00 177.57 176.38 2opu h SER 88 N 0.00 0.88 0.91 0.57 0.87 -1.04 0.40 113.55 116.13 2opu h SER 88 Ca -0.00 -0.45 0.00 0.00 -1.23 0.00 0.00 61.79 60.10 2opu h SER 88 Cb 0.60 -0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 2opu h SER 88 CO 0.04 1.15 0.00 -2.11 -0.53 0.00 0.00 176.83 175.38 2opu n ARG 89 N -4.17 0.15 -0.07 2.24 1.85 -0.69 -3.34 116.66 112.63 2opu n ARG 89 Ca -0.03 0.29 -0.19 0.00 -1.00 0.00 0.00 57.85 56.92 2opu n ARG 89 Cb 0.49 -1.74 -0.13 0.00 -1.05 0.00 0.00 32.46 30.03 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 0.51 -0.47 1.63 2.89 0.00 0.11 -4.96 105.19 104.90 2opu n GLY 90 Ca 0.04 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2opu n GLY 90 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2opu n ARG 91 N -3.33 0.00 0.00 1.61 1.85 0.68 -4.99 116.66 112.48 2opu n ARG 91 Ca -0.39 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.46 2opu n ARG 91 Cb 1.02 -0.01 0.00 0.00 -1.05 0.00 0.00 32.46 32.42 2opu n ARG 91 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2opu n GLY 92 N -1.11 2.85 0.00 2.89 0.00 0.11 -4.91 105.19 105.02 2opu n GLY 92 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 44.99 2opu n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93