#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 1.59 -0.62 7.28 3.41 -1.26 -5.03 113.62 119.00 2opu n SER 6 Ca 0.00 -0.04 0.01 0.00 -0.26 0.00 0.00 58.87 58.59 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 -1.20 -0.16 0.00 0.00 175.04 173.68 2opu n SER 7 N -0.05 -3.69 -4.53 4.04 7.64 0.54 -4.72 113.62 112.84 2opu n SER 7 Ca 0.00 0.09 -0.49 0.00 1.01 0.00 0.00 58.87 59.48 2opu n SER 7 Cb 0.00 -0.25 -0.06 0.00 -1.01 0.00 0.00 64.21 62.89 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 -1.35 1.45 -3.74 1.43 10.64 -1.24 -1.91 117.38 122.65 2opu n GLN 8 Ca 0.00 0.44 -0.37 0.00 -1.83 0.00 0.00 57.00 55.24 2opu n GLN 8 Cb 0.04 -2.62 -0.12 0.00 -0.86 0.00 0.00 30.24 26.67 2opu n GLN 8 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 2opu s LEU 9 N 6.71 3.68 -0.95 2.61 2.96 0.11 -4.89 118.68 128.91 2opu s LEU 9 Ca 1.04 -0.45 -0.03 0.00 -0.22 0.00 0.00 54.13 54.47 2opu s LEU 9 Cb -0.74 -1.91 0.24 0.00 0.50 0.00 0.00 46.19 44.27 2opu s LEU 9 CO 0.48 -0.12 0.88 0.61 -1.32 0.00 0.00 176.35 176.88 2opu n GLY 10 N 4.91 4.17 0.08 7.98 0.00 -1.26 -0.61 105.19 120.46 2opu n GLY 10 Ca -0.15 -2.60 0.13 0.00 0.00 0.00 0.00 46.02 43.40 2opu n GLY 10 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2opu n PRO 11 N 2.35 0.33 -3.98 1.61 -0.04 -1.26 -4.86 135.00 129.14 2opu n PRO 11 Ca 0.23 -0.16 -0.09 0.00 -0.04 0.00 0.00 63.50 63.43 2opu n PRO 11 Cb 0.37 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.23 2opu n PRO 11 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 2opu s ILE 12 N -2.78 0.13 -0.09 0.52 1.10 -1.26 -5.08 121.20 113.73 2opu s ILE 12 Ca 0.18 -1.07 0.15 0.00 -0.51 0.00 0.00 60.65 59.39 2opu s ILE 12 Cb 0.19 -0.58 -0.15 0.00 0.15 0.00 0.00 42.46 42.07 2opu s ILE 12 CO 0.59 -0.59 0.87 0.45 -2.11 0.00 0.00 174.94 174.15 2opu h HIS 13 N 4.23 0.00 -1.26 3.50 3.86 -1.96 -3.43 115.15 120.09 2opu h HIS 13 Ca -0.32 0.00 -0.46 0.00 -1.16 0.00 0.00 60.37 58.43 2opu h HIS 13 Cb 1.19 0.00 0.22 0.00 1.06 0.00 0.00 27.41 29.89 2opu h HIS 13 CO 0.62 0.71 -2.10 -2.30 0.86 0.00 0.00 177.93 175.71 2opu n PRO 14 N -2.99 0.00 -0.51 2.45 -0.02 -1.26 -4.96 135.00 127.71 2opu n PRO 14 Ca -0.10 0.00 -0.29 0.00 -2.02 0.00 0.00 63.50 61.09 2opu n PRO 14 Cb 0.89 -0.88 0.24 0.00 -0.02 0.00 0.00 33.50 33.73 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 2.21 -2.38 0.00 0.52 -0.02 -1.26 -4.47 135.00 129.60 2opu n PRO 15 Ca -0.02 -0.67 0.00 0.00 -2.02 0.00 0.00 63.50 60.79 2opu n PRO 15 Cb 0.60 -2.06 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 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 -4.40 0.21 0.19 0.52 -0.04 -1.26 -2.62 135.00 127.60 2opu n PRO 16 Ca 0.02 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.61 2opu n PRO 16 Cb 0.56 -1.16 0.33 0.00 -0.04 0.00 0.00 33.50 33.18 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 -1.86 0.14 114.38 114.25 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 0.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.21 2opu h ARG 17 CO 0.00 0.00 0.00 -2.37 0.10 0.00 0.00 179.97 177.70 2opu n THR 18 N -2.80 0.00 0.00 0.08 5.66 -1.11 -4.15 114.28 111.96 2opu n THR 18 Ca 0.04 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.04 2opu n THR 18 Cb 0.45 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.23 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 -4.57 1.09 2.88 -1.08 -4.71 113.62 107.23 2opu n SER 19 Ca 0.00 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.39 2opu n SER 19 Cb 0.32 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.69 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 0.57 1.41 -0.35 -1.46 0.23 -1.22 -4.36 119.30 114.11 2opu s MET 20 Ca 0.00 -0.10 -0.25 0.00 -1.03 0.00 0.00 55.69 54.31 2opu s MET 20 Cb 0.00 -4.92 0.01 0.00 -1.53 0.00 0.00 34.83 28.40 2opu s MET 20 CO 0.00 -5.01 0.88 0.99 -2.03 0.00 0.00 175.02 169.85 2opu s THR 21 N 15.84 4.65 -0.32 3.16 2.01 0.22 -4.71 115.64 136.48 2opu s THR 21 Ca 0.85 1.16 -0.18 0.00 0.31 0.00 0.00 61.69 63.83 2opu s THR 21 Cb -0.08 -4.28 -0.01 0.00 0.01 0.00 0.00 72.50 68.14 2opu s THR 21 CO 0.13 -0.46 0.53 -0.70 -0.69 0.00 0.00 174.62 173.44 2opu s GLU 22 N 3.32 3.79 -0.43 4.92 2.56 -0.32 0.10 118.70 132.63 2opu s GLU 22 Ca 0.36 0.04 -0.16 0.00 0.00 0.00 0.00 54.97 55.21 2opu s GLU 22 Cb -0.13 -3.75 0.03 0.00 2.00 0.00 0.00 34.13 32.28 2opu s GLU 22 CO 0.17 -0.56 0.40 -2.00 -0.56 0.00 0.00 175.26 172.71 2opu s GLU 23 N 2.42 3.04 -0.19 4.30 2.12 -0.80 -0.20 118.70 129.40 2opu s GLU 23 Ca 0.20 -0.92 -0.19 0.00 0.36 0.00 0.00 54.97 54.43 2opu s GLU 23 Cb -0.15 -4.00 -0.03 0.00 0.26 0.00 0.00 34.13 30.21 2opu s GLU 23 CO 0.12 -0.86 0.52 0.71 -0.54 0.00 0.00 175.26 175.21 2opu s TYR 24 N 1.97 3.40 -0.72 5.30 1.51 0.10 -0.34 117.35 128.57 2opu s TYR 24 Ca 0.09 0.80 -0.24 0.00 -1.01 0.00 0.00 57.07 56.71 2opu s TYR 24 Cb -0.19 -2.66 0.05 0.00 -0.11 0.00 0.00 41.96 39.06 2opu s TYR 24 CO 0.12 -0.06 1.13 1.03 -1.11 0.00 0.00 175.55 176.65 2opu s ARG 25 N 1.48 3.19 -0.17 -0.62 0.52 -1.26 -1.83 118.95 120.26 2opu s ARG 25 Ca 0.25 -0.63 0.01 0.00 -0.52 0.00 0.00 55.73 54.84 2opu s ARG 25 Cb -0.15 -4.29 0.01 0.00 0.52 0.00 0.00 34.95 31.04 2opu s ARG 25 CO 0.10 -1.98 -0.20 0.54 0.02 0.00 0.00 175.30 173.78 2opu s VAL 26 N 4.76 2.12 0.65 3.52 0.11 -0.85 -4.95 120.40 125.76 2opu s VAL 26 Ca 0.29 -0.93 -0.18 0.00 -2.93 0.00 0.00 61.98 58.23 2opu s VAL 26 Cb -0.12 -1.88 -0.01 0.00 -1.53 0.00 0.00 36.38 32.84 2opu s VAL 26 CO 0.10 0.54 1.23 -2.65 -3.33 0.00 0.00 175.10 171.00 2opu n PRO 27 N 4.41 1.05 -0.15 1.54 -0.02 -1.26 -1.02 135.00 139.56 2opu n PRO 27 Ca -0.20 0.41 -0.13 0.00 -2.02 0.00 0.00 63.50 61.56 2opu n PRO 27 Cb 0.51 -2.47 -0.09 0.00 -0.02 0.00 0.00 33.50 31.43 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 0.48 -1.79 0.57 2.55 1.82 -1.91 0.17 116.42 118.31 2opu h ASP 28 Ca -0.50 0.24 -0.04 0.00 -0.39 0.00 0.00 57.03 56.34 2opu h ASP 28 Cb 1.34 0.74 -0.01 0.00 0.68 0.00 0.00 39.33 42.09 2opu h ASP 28 CO 0.52 -0.39 -0.17 1.23 -1.61 0.00 0.00 179.24 178.82 2opu h GLY 29 N -0.37 0.00 1.75 -0.78 0.00 -2.00 -2.81 103.07 98.87 2opu h GLY 29 Ca 0.09 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.18 2opu h GLY 29 CO -0.61 0.00 -1.09 -0.33 0.00 0.00 0.00 176.54 174.51 2opu h MET 30 N 0.00 0.20 0.00 4.80 2.86 -1.14 -2.45 114.93 119.20 2opu h MET 30 Ca -0.00 -0.30 -0.11 0.00 -2.06 0.00 0.00 59.70 57.23 2opu h MET 30 Cb 0.51 0.11 -0.02 0.00 0.06 0.00 0.00 31.60 32.26 2opu h MET 30 CO 0.02 1.11 -0.53 -0.24 1.06 0.00 0.00 176.91 178.33 2opu h VAL 31 N 0.07 1.19 0.00 -2.22 3.04 -0.71 0.21 116.25 117.83 2opu h VAL 31 Ca -0.08 -1.95 -0.04 0.00 -1.01 0.00 0.00 66.70 63.62 2opu h VAL 31 Cb 1.81 2.11 -0.01 0.00 -2.01 0.00 0.00 31.29 33.19 2opu h VAL 31 CO 0.17 0.52 -0.19 1.23 -1.01 0.00 0.00 177.57 178.28 2opu h GLY 32 N 2.10 0.00 1.18 3.17 0.00 -1.32 -2.52 103.07 105.68 2opu h GLY 32 Ca -0.01 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.12 2opu h GLY 32 CO 0.07 0.00 -1.38 1.41 0.00 0.00 0.00 176.54 176.64 2opu h LEU 33 N 0.00 0.00 -1.13 3.11 3.38 -0.82 -3.08 115.31 116.77 2opu h LEU 33 Ca -0.00 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.88 2opu h LEU 33 Cb 0.47 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2opu h LEU 33 CO 0.03 0.75 -0.40 -0.29 0.09 0.00 0.00 178.44 178.62 2opu h ILE 34 N 0.00 1.11 0.00 1.22 6.09 -0.34 -0.91 117.51 124.68 2opu h ILE 34 Ca -0.17 -1.45 0.00 0.00 -1.37 0.00 0.00 64.86 61.87 2opu h ILE 34 Cb 1.72 1.82 0.00 0.00 0.47 0.00 0.00 36.82 40.83 2opu h ILE 34 CO 0.07 0.39 -0.44 0.16 -3.07 0.00 0.00 178.15 175.26 2opu h ILE 35 N 0.00 0.00 0.00 2.19 3.07 -1.58 -3.33 117.51 117.86 2opu h ILE 35 Ca -0.00 -0.52 0.00 0.00 1.55 0.00 0.00 64.86 65.89 2opu h ILE 35 Cb 0.79 1.23 0.00 0.00 -0.27 0.00 0.00 36.82 38.57 2opu h ILE 35 CO 0.05 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.76 2opu n GLY 36 N 1.32 0.24 1.44 0.16 0.00 -0.35 -1.66 105.19 106.34 2opu n GLY 36 Ca 0.04 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.72 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 0.75 -1.00 1.61 0.00 -1.26 -4.66 116.66 112.11 2opu n ARG 37 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2opu n ARG 37 Cb 0.00 -1.12 0.00 0.00 -0.00 0.00 0.00 32.46 31.34 2opu n ARG 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2opu n GLY 38 N 1.33 0.47 0.00 2.89 0.00 -1.13 -4.01 105.19 104.74 2opu n GLY 38 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.52 3.47 0.44 -0.02 0.00 -0.66 -4.99 105.19 100.91 2opu n GLY 39 Ca 0.00 -0.49 0.26 0.00 0.00 0.00 0.00 46.02 45.78 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 0.07 -0.13 1.61 4.81 -1.70 -1.94 114.58 117.31 2opu h GLU 40 Ca 0.00 -0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 2opu h GLU 40 Cb 0.00 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 2opu h GLU 40 CO 0.00 0.05 -0.01 0.37 -0.73 0.00 0.00 179.01 178.69 2opu h GLN 41 N 0.08 0.23 -0.29 1.92 4.15 -1.81 0.16 115.11 119.55 2opu h GLN 41 Ca 0.41 -0.08 -0.14 0.00 0.77 0.00 0.00 58.65 59.62 2opu h GLN 41 Cb 1.52 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 29.18 2opu h GLN 41 CO -0.04 0.48 -0.38 0.97 -1.93 0.00 0.00 178.83 177.93 2opu h ILE 42 N -0.05 1.29 -0.36 2.39 6.09 -1.49 -1.69 117.51 123.70 2opu h ILE 42 Ca 0.04 -1.54 -0.03 0.00 -1.37 0.00 0.00 64.86 61.95 2opu h ILE 42 Cb 0.38 1.48 -0.02 0.00 0.47 0.00 0.00 36.82 39.13 2opu h ILE 42 CO 0.01 0.50 0.07 0.78 -3.07 0.00 0.00 178.15 176.44 2opu h ASN 43 N 0.55 0.48 -0.04 2.19 2.35 -1.28 0.26 115.58 120.10 2opu h ASN 43 Ca 0.05 -0.07 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 2opu h ASN 43 Cb 0.90 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 39.15 2opu h ASN 43 CO 0.08 0.50 0.02 0.50 -1.65 0.00 0.00 177.43 176.88 2opu h LYS 44 N 0.52 0.06 -0.10 0.81 1.63 -0.18 -2.26 116.57 117.04 2opu h LYS 44 Ca 0.12 -0.01 -0.23 0.00 -0.85 0.00 0.00 60.65 59.68 2opu h LYS 44 Cb 0.22 -0.01 0.01 0.00 -0.60 0.00 0.00 32.23 31.85 2opu h LYS 44 CO -0.00 0.18 -0.84 0.82 -3.45 0.00 0.00 179.45 176.16 2opu h ILE 45 N -0.07 1.30 0.00 2.00 1.08 -0.67 0.11 117.51 121.27 2opu h ILE 45 Ca 0.01 -2.09 -0.08 0.00 -0.39 0.00 0.00 64.86 62.32 2opu h ILE 45 Cb 0.14 2.11 -0.01 0.00 -3.07 0.00 0.00 36.82 35.99 2opu h ILE 45 CO -0.00 0.65 -0.38 0.06 -0.69 0.00 0.00 178.15 177.79 2opu h GLN 46 N 0.45 0.00 0.06 2.37 -0.00 -0.58 -0.01 115.11 117.40 2opu h GLN 46 Ca -0.07 0.00 -0.20 0.00 -0.00 0.00 0.00 58.65 58.39 2opu h GLN 46 Cb 1.47 0.00 0.02 0.00 -0.00 0.00 0.00 27.48 28.97 2opu h GLN 46 CO 0.17 0.38 -0.80 0.37 -0.00 0.00 0.00 178.83 178.95 2opu h GLN 47 N 0.00 0.44 -0.88 0.06 5.75 -1.30 -0.33 115.11 118.85 2opu h GLN 47 Ca -0.00 -0.55 0.10 0.00 -0.15 0.00 0.00 58.65 58.05 2opu h GLN 47 Cb 0.82 0.17 -0.08 0.00 1.07 0.00 0.00 27.48 29.47 2opu h GLN 47 CO 0.05 1.20 0.52 0.22 -2.65 0.00 0.00 178.83 178.18 2opu h ASP 48 N -0.07 0.75 0.28 -0.69 3.58 -0.38 -2.84 116.42 117.05 2opu h ASP 48 Ca -0.12 0.05 -0.34 0.00 0.42 0.00 0.00 57.03 57.05 2opu h ASP 48 Cb 1.53 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 42.48 2opu h ASP 48 CO 0.15 0.42 -1.72 0.77 -2.88 0.00 0.00 179.24 175.99 2opu h SER 49 N 0.85 0.48 0.00 2.28 4.64 -1.09 -3.48 113.55 117.23 2opu h SER 49 Ca 0.43 -0.76 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 2opu h SER 49 Cb 0.41 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 2opu h SER 49 CO -0.26 1.65 0.00 0.61 -0.87 0.00 0.00 176.83 177.96 2opu n GLY 50 N 1.80 0.69 3.75 -0.77 0.00 -0.24 -4.44 105.19 105.98 2opu n GLY 50 Ca -0.23 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.39 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 1.53 3.34 -2.67 0.00 4.76 0.40 -4.48 118.16 121.05 2opu n LYS 52 Ca -0.02 -3.41 -0.43 0.00 -2.87 0.00 0.00 58.31 51.59 2opu n LYS 52 Cb 0.47 -3.12 -0.03 0.00 -1.84 0.00 0.00 35.03 30.52 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 1.85 4.25 -0.35 -0.18 1.01 -1.26 -3.64 120.40 122.08 2opu s VAL 53 Ca 0.44 0.99 -0.10 0.00 0.00 0.00 0.00 61.98 63.32 2opu s VAL 53 Cb 0.06 -4.58 0.02 0.00 0.00 0.00 0.00 36.38 31.88 2opu s VAL 53 CO -0.00 -1.03 0.17 -1.58 0.00 0.00 0.00 175.10 172.66 2opu s GLN 54 N 4.33 3.00 -0.79 2.72 2.00 -0.47 -4.96 119.66 125.49 2opu s GLN 54 Ca 0.43 -0.95 -0.26 0.00 -2.00 0.00 0.00 55.36 52.58 2opu s GLN 54 Cb -0.08 -3.63 0.03 0.00 0.80 0.00 0.00 33.01 30.12 2opu s GLN 54 CO 0.29 -0.59 1.35 0.42 -0.50 0.00 0.00 175.29 176.26 2opu s ILE 55 N 1.56 3.74 -0.56 -2.34 -1.09 -1.26 -0.86 121.20 120.39 2opu s ILE 55 Ca 0.03 0.17 -0.28 0.00 -2.23 0.00 0.00 60.65 58.34 2opu s ILE 55 Cb -0.18 -4.89 0.03 0.00 -1.58 0.00 0.00 42.46 35.84 2opu s ILE 55 CO 0.06 -1.82 1.14 -0.44 -1.23 0.00 0.00 174.94 172.65 2opu s SER 56 N 4.22 6.45 0.12 3.58 0.01 0.39 -4.90 113.70 123.58 2opu s SER 56 Ca 0.39 0.07 -0.00 0.00 1.31 0.00 0.00 55.95 57.72 2opu s SER 56 Cb -0.07 -2.53 -0.14 0.00 0.21 0.00 0.00 66.02 63.49 2opu s SER 56 CO 0.10 -1.41 1.28 -0.65 0.41 0.00 0.00 173.24 172.97 2opu h PRO 57 N 9.46 0.23 0.00 12.44 0.11 -1.93 -2.99 132.00 149.32 2opu h PRO 57 Ca -0.25 -0.30 -0.12 0.00 0.11 0.00 0.00 66.00 65.44 2opu h PRO 57 Cb 1.06 0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 2opu h PRO 57 CO 1.16 1.07 -0.56 -0.44 -0.21 0.00 0.00 178.00 179.02 2opu h ASP 58 N 0.10 0.00 0.00 -2.05 5.19 -1.94 -3.47 116.42 114.25 2opu h ASP 58 Ca -0.07 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.34 2opu h ASP 58 Cb 1.71 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.22 2opu h ASP 58 CO 0.16 0.56 0.00 -0.24 -3.12 0.00 0.00 179.24 176.60 2opu n SER 59 N -3.27 -1.17 0.00 6.45 2.88 -1.19 -4.96 113.62 112.36 2opu n SER 59 Ca 0.01 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.55 2opu n SER 59 Cb 0.74 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.20 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 0.96 0.76 0.46 0.00 -1.26 -4.97 105.19 101.14 2opu n GLY 60 Ca 0.00 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 2.82 3.82 -0.02 0.00 -1.26 -4.97 105.19 105.58 2opu n GLY 61 Ca 0.00 -0.34 -0.36 0.00 0.00 0.00 0.00 46.02 45.32 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 0.00 4.27 0.00 0.99 2.01 -1.26 -4.98 118.68 119.72 2opu s LEU 62 Ca 0.00 0.38 0.27 0.00 0.01 0.00 0.00 54.13 54.78 2opu s LEU 62 Cb 0.00 -2.06 1.58 0.00 0.01 0.00 0.00 46.19 45.72 2opu s LEU 62 CO 0.00 0.34 2.02 -0.81 1.01 0.00 0.00 176.35 178.91 2opu n PRO 63 N 2.44 1.04 0.00 1.29 -0.04 -1.26 -4.68 135.00 133.79 2opu n PRO 63 Ca -0.19 -0.05 0.00 0.00 -0.04 0.00 0.00 63.50 63.22 2opu n PRO 63 Cb 0.54 -1.42 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 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 -0.86 0.00 -4.23 0.54 0.28 -1.26 -4.91 120.64 110.20 2opu n GLU 64 Ca 0.20 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 57.03 2opu n GLU 64 Cb 0.11 0.00 -0.11 0.00 1.43 0.00 0.00 31.44 32.87 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 2.52 1.01 -0.06 3.44 6.06 -0.18 -4.79 118.95 126.95 2opu s ARG 65 Ca 0.00 -1.26 0.02 0.00 -2.50 0.00 0.00 55.73 51.99 2opu s ARG 65 Cb 0.00 -0.81 0.02 0.00 0.06 0.00 0.00 34.95 34.21 2opu s ARG 65 CO 0.00 0.15 -0.09 -1.54 -2.50 0.00 0.00 175.30 171.31 2opu s SER 66 N -2.57 1.47 -0.12 -2.12 1.04 -1.14 -2.00 113.70 108.27 2opu s SER 66 Ca 0.10 -0.23 0.01 0.00 0.48 0.00 0.00 55.95 56.30 2opu s SER 66 Cb -0.04 -0.68 -0.01 0.00 0.10 0.00 0.00 66.02 65.39 2opu s SER 66 CO 0.02 -0.00 -0.14 -0.69 0.98 0.00 0.00 173.24 173.41 2opu s VAL 67 N 0.79 2.97 -0.20 5.02 1.01 -0.76 -0.46 120.40 128.78 2opu s VAL 67 Ca -0.13 -0.70 -0.12 0.00 0.00 0.00 0.00 61.98 61.03 2opu s VAL 67 Cb -0.15 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 33.95 2opu s VAL 67 CO 0.02 0.53 0.23 -0.94 0.00 0.00 0.00 175.10 174.94 2opu s SER 68 N 0.24 6.30 -0.32 3.32 1.04 -0.04 0.01 113.70 124.25 2opu s SER 68 Ca -0.09 0.34 -0.07 0.00 0.48 0.00 0.00 55.95 56.60 2opu s SER 68 Cb -0.16 -2.14 0.02 0.00 0.10 0.00 0.00 66.02 63.84 2opu s SER 68 CO 0.05 0.09 0.11 -0.76 0.98 0.00 0.00 173.24 173.71 2opu s LEU 69 N 0.69 4.14 0.05 2.42 2.01 0.72 -1.37 118.68 127.33 2opu s LEU 69 Ca 0.12 -0.91 -0.15 0.00 0.01 0.00 0.00 54.13 53.21 2opu s LEU 69 Cb -0.13 -1.89 0.02 0.00 0.01 0.00 0.00 46.19 44.20 2opu s LEU 69 CO 0.03 -0.27 0.33 -0.89 1.01 0.00 0.00 176.35 176.56 2opu s THR 70 N 1.47 0.08 0.00 5.49 2.01 -1.24 -1.18 115.64 122.27 2opu s THR 70 Ca 0.01 -0.64 0.00 0.00 0.31 0.00 0.00 61.69 61.37 2opu s THR 70 Cb -0.18 -0.97 0.00 0.00 0.01 0.00 0.00 72.50 71.36 2opu s THR 70 CO 0.03 -0.35 0.00 0.61 -0.69 0.00 0.00 174.62 174.22 2opu n GLY 71 N 0.48 -0.88 3.49 4.40 0.00 0.49 0.15 105.19 113.33 2opu n GLY 71 Ca -0.18 0.39 -0.11 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.13 -1.57 0.14 4.61 0.00 -1.20 -3.43 121.76 120.18 2opu s ALA 72 Ca 0.00 0.43 -0.24 0.00 0.00 0.00 0.00 51.96 52.16 2opu s ALA 72 Cb 0.00 0.84 -0.00 0.00 0.00 0.00 0.00 23.12 23.96 2opu s ALA 72 CO 0.00 -0.80 1.63 -1.35 0.00 0.00 0.00 175.76 175.24 2opu h PRO 73 N 2.00 -0.29 -0.22 0.00 0.11 -1.97 0.46 132.00 132.10 2opu h PRO 73 Ca -0.31 0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.65 2opu h PRO 73 Cb 1.30 0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.47 2opu h PRO 73 CO 0.35 -0.19 -0.55 1.49 -0.21 0.00 0.00 178.00 178.89 2opu h GLU 74 N -0.30 0.65 -0.13 1.05 4.57 -1.97 -3.25 114.58 115.20 2opu h GLU 74 Ca 0.11 -0.41 -0.14 0.00 -1.18 0.00 0.00 59.36 57.74 2opu h GLU 74 Cb 0.47 0.05 0.01 0.00 -0.16 0.00 0.00 28.75 29.11 2opu h GLU 74 CO -0.34 1.03 -0.46 0.77 -1.18 0.00 0.00 179.01 178.83 2opu h SER 75 N 0.50 0.62 0.80 1.04 0.02 -1.62 -2.59 113.55 112.33 2opu h SER 75 Ca 0.01 -0.62 -0.04 0.00 -0.84 0.00 0.00 61.79 60.30 2opu h SER 75 Cb 1.11 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 63.46 2opu h SER 75 CO 0.11 1.13 -0.21 1.62 -1.14 0.00 0.00 176.83 178.34 2opu h VAL 76 N 0.15 0.56 0.14 2.27 3.04 -0.21 -1.22 116.25 120.99 2opu h VAL 76 Ca -0.02 -1.02 -0.30 0.00 -1.01 0.00 0.00 66.70 64.35 2opu h VAL 76 Cb 1.09 1.68 0.00 0.00 -2.01 0.00 0.00 31.29 32.06 2opu h VAL 76 CO 0.10 0.21 -1.41 -0.61 -1.01 0.00 0.00 177.57 174.84 2opu h GLN 77 N 0.00 0.30 -0.30 4.17 5.75 -1.58 -2.13 115.11 121.31 2opu h GLN 77 Ca -0.00 -0.51 -0.03 0.00 -0.15 0.00 0.00 58.65 57.96 2opu h GLN 77 Cb 0.67 0.19 -0.01 0.00 1.07 0.00 0.00 27.48 29.39 2opu h GLN 77 CO 0.03 1.20 0.09 -0.22 -2.65 0.00 0.00 178.83 177.28 2opu h LYS 78 N 0.08 0.48 -0.36 1.69 1.63 -1.07 0.18 116.57 119.19 2opu h LYS 78 Ca -0.20 -0.11 0.05 0.00 -0.85 0.00 0.00 60.65 59.54 2opu h LYS 78 Cb 2.02 -0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 33.53 2opu h LYS 78 CO 0.19 0.53 0.07 0.00 -3.45 0.00 0.00 179.45 176.80 2opu h ALA 79 N 0.92 0.38 0.00 5.00 0.00 -1.30 -1.18 119.26 123.08 2opu h ALA 79 Ca 0.10 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2opu h ALA 79 Cb 0.26 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2opu h ALA 79 CO -0.00 -0.33 -0.07 0.87 0.00 0.00 0.00 179.25 179.72 2opu h LYS 80 N 0.19 0.00 -0.27 0.00 1.57 -1.11 -2.14 116.57 114.81 2opu h LYS 80 Ca 0.17 0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.96 2opu h LYS 80 Cb 0.19 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 2opu h LYS 80 CO -0.22 0.07 0.16 0.52 -0.57 0.00 0.00 179.45 179.40 2opu h MET 81 N 0.00 0.31 -0.23 3.15 2.86 0.63 0.30 114.93 121.96 2opu h MET 81 Ca -0.00 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.57 2opu h MET 81 Cb 0.50 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 2opu h MET 81 CO 0.01 0.21 -0.06 0.52 1.06 0.00 0.00 176.91 178.65 2opu h MET 82 N 0.32 0.44 0.37 1.72 2.86 -1.29 -2.67 114.93 116.68 2opu h MET 82 Ca 0.11 -0.17 -0.01 0.00 -2.06 0.00 0.00 59.70 57.56 2opu h MET 82 Cb 0.00 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.64 2opu h MET 82 CO -0.05 0.68 -0.20 -0.07 1.06 0.00 0.00 176.91 178.32 2opu h LEU 83 N 0.17 -0.49 -1.29 1.22 -0.00 -1.21 -2.70 115.31 111.02 2opu h LEU 83 Ca 0.06 0.02 -0.03 0.00 -0.00 0.00 0.00 57.88 57.93 2opu h LEU 83 Cb 0.52 0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 41.30 2opu h LEU 83 CO 0.02 -0.33 0.14 -0.78 -0.00 0.00 0.00 178.44 177.49 2opu h ASP 84 N -0.53 0.57 0.03 -0.43 3.58 -0.49 0.18 116.42 119.33 2opu h ASP 84 Ca -0.04 -0.07 0.02 0.00 0.42 0.00 0.00 57.03 57.36 2opu h ASP 84 Cb 0.43 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 41.29 2opu h ASP 84 CO 0.06 0.55 -0.22 -0.78 -2.88 0.00 0.00 179.24 175.98 2opu h ASP 85 N 0.62 -0.62 0.09 2.28 1.82 -1.21 0.26 116.42 119.65 2opu h ASP 85 Ca 0.15 0.08 -0.28 0.00 -0.39 0.00 0.00 57.03 56.59 2opu h ASP 85 Cb 0.18 0.25 0.02 0.00 0.68 0.00 0.00 39.33 40.47 2opu h ASP 85 CO -0.01 -0.29 -1.11 0.40 -1.61 0.00 0.00 179.24 176.62 2opu h ILE 86 N -0.36 1.29 -0.12 2.25 5.03 -1.13 -2.38 117.51 122.09 2opu h ILE 86 Ca 0.05 -2.35 -0.06 0.00 -0.12 0.00 0.00 64.86 62.37 2opu h ILE 86 Cb 0.42 2.50 -0.01 0.00 -3.03 0.00 0.00 36.82 36.70 2opu h ILE 86 CO -0.17 0.72 -0.21 0.58 -0.68 0.00 0.00 178.15 178.38 2opu h VAL 87 N 0.34 1.21 0.04 1.67 2.07 -0.59 -1.49 116.25 119.50 2opu h VAL 87 Ca -0.15 -0.98 -0.22 0.00 0.82 0.00 0.00 66.70 66.17 2opu h VAL 87 Cb 1.77 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 32.89 2opu h VAL 87 CO 0.21 0.30 -1.00 -1.28 0.02 0.00 0.00 177.57 175.82 2opu h SER 88 N 0.19 0.23 1.19 0.57 0.87 -0.48 0.29 113.55 116.42 2opu h SER 88 Ca 0.03 -0.22 0.00 0.00 -1.23 0.00 0.00 61.79 60.38 2opu h SER 88 Cb 0.49 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 2opu h SER 88 CO 0.03 1.09 0.00 0.08 -0.53 0.00 0.00 176.83 177.51 2opu h ARG 89 N 0.07 0.00 0.00 2.24 0.11 -1.01 -2.05 114.38 113.74 2opu h ARG 89 Ca -0.06 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.02 2opu h ARG 89 Cb 1.69 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.77 2opu h ARG 89 CO 0.15 0.00 0.00 0.41 0.10 0.00 0.00 179.97 180.63 2opu n GLY 90 N 0.57 -0.46 0.16 0.08 0.00 -0.60 -4.80 105.19 100.14 2opu n GLY 90 Ca 0.03 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.88 2opu n GLY 90 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2opu h ARG 91 N 0.00 0.48 0.00 1.61 2.47 -0.63 -3.48 114.38 114.82 2opu h ARG 91 Ca 0.00 -0.58 0.00 0.00 -1.26 0.00 0.00 59.98 58.14 2opu h ARG 91 Cb 0.00 0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.50 2opu h ARG 91 CO 0.00 1.22 0.00 0.41 0.56 0.00 0.00 179.97 182.16 2opu n GLY 92 N 1.15 2.07 0.00 0.04 0.00 -0.75 -4.98 105.19 102.73 2opu n GLY 92 Ca -0.09 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.50 2opu n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93