#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 6.26 0.47 9.51 0.01 -1.26 -4.82 113.70 123.88 2opu s SER 6 Ca 0.00 0.41 0.00 0.00 1.31 0.00 0.00 55.95 57.67 2opu s SER 6 Cb 0.00 -1.99 0.00 0.00 0.21 0.00 0.00 66.02 64.24 2opu s SER 6 CO 0.00 0.38 0.00 -1.20 0.41 0.00 0.00 173.24 172.83 2opu n SER 7 N 1.78 -1.93 -4.67 2.44 7.64 -0.54 -4.78 113.62 113.55 2opu n SER 7 Ca -0.18 0.00 -0.46 0.00 1.01 0.00 0.00 58.87 59.24 2opu n SER 7 Cb 0.54 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.70 2opu n SER 7 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2opu n GLN 8 N -0.34 2.43 -3.36 1.43 -0.06 -1.26 -2.01 117.38 114.21 2opu n GLN 8 Ca 0.00 0.89 -0.45 0.00 -2.00 0.00 0.00 57.00 55.44 2opu n GLN 8 Cb 0.00 -2.78 -0.06 0.00 -4.06 0.00 0.00 30.24 23.34 2opu n GLN 8 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 2opu s LEU 9 N 4.25 5.89 -0.42 1.69 2.96 0.11 -4.95 118.68 128.20 2opu s LEU 9 Ca 0.92 -1.56 0.10 0.00 -0.22 0.00 0.00 54.13 53.37 2opu s LEU 9 Cb -0.60 -2.19 0.37 0.00 0.50 0.00 0.00 46.19 44.27 2opu s LEU 9 CO 0.48 -0.75 0.86 0.61 -1.32 0.00 0.00 176.35 176.24 2opu n GLY 10 N 5.22 4.03 0.11 7.98 0.00 -1.26 -1.46 105.19 119.80 2opu n GLY 10 Ca -0.13 -2.02 -0.17 0.00 0.00 0.00 0.00 46.02 43.69 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 2.95 0.23 -6.86 1.61 0.11 -1.94 -3.46 132.00 124.65 2opu h PRO 11 Ca 0.09 -0.34 -0.47 0.00 0.11 0.00 0.00 66.00 65.39 2opu h PRO 11 Cb 0.87 0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.08 2opu h PRO 11 CO 0.62 1.11 0.25 0.96 -0.21 0.00 0.00 178.00 180.73 2opu s ILE 12 N -2.65 4.44 -0.27 4.15 -0.00 -1.26 -5.01 121.20 120.60 2opu s ILE 12 Ca -0.15 1.41 0.23 0.00 -0.00 0.00 0.00 60.65 62.14 2opu s ILE 12 Cb 0.01 -3.74 -0.04 0.00 -0.00 0.00 0.00 42.46 38.69 2opu s ILE 12 CO 0.79 -0.09 1.01 1.41 -0.00 0.00 0.00 174.94 178.05 2opu n HIS 13 N -0.07 0.80 -0.70 1.37 8.25 -1.26 -4.64 115.22 118.97 2opu n HIS 13 Ca 0.03 0.23 -0.32 0.00 -0.26 0.00 0.00 57.72 57.41 2opu n HIS 13 Cb 0.52 -0.86 0.16 0.00 1.12 0.00 0.00 29.99 30.94 2opu n HIS 13 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2opu n PRO 14 N -2.54 -1.06 -1.42 -0.41 -0.04 -1.26 -4.91 135.00 123.36 2opu n PRO 14 Ca 0.00 -0.28 -0.39 0.00 -0.04 0.00 0.00 63.50 62.79 2opu n PRO 14 Cb 0.53 -1.87 0.03 0.00 -0.04 0.00 0.00 33.50 32.15 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 -2.39 0.41 0.00 0.54 -0.02 -1.26 -4.64 135.00 127.64 2opu n PRO 15 Ca 0.04 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 2opu n PRO 15 Cb 0.57 -1.52 0.00 0.00 -0.02 0.00 0.00 33.50 32.53 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 0.40 0.28 0.18 0.52 -0.04 -1.26 -3.14 135.00 131.94 2opu n PRO 16 Ca 0.11 0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.67 2opu n PRO 16 Cb 0.46 -1.29 0.11 0.00 -0.04 0.00 0.00 33.50 32.74 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 1.22 0.00 0.00 0.54 0.11 -1.83 0.37 114.38 114.79 2opu h ARG 17 Ca 0.00 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.00 2opu h ARG 17 Cb 0.23 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 31.23 2opu h ARG 17 CO 0.00 0.09 -0.16 -2.37 0.10 0.00 0.00 179.97 177.62 2opu n THR 18 N -3.03 0.00 0.00 0.08 5.66 -1.19 -4.44 114.28 111.36 2opu n THR 18 Ca 0.02 -0.23 0.00 0.00 -3.05 0.00 0.00 64.05 60.79 2opu n THR 18 Cb 0.58 0.49 0.00 0.00 -1.55 0.00 0.00 70.33 69.84 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 -0.36 0.00 -4.50 1.09 3.41 -1.25 -4.93 113.62 107.08 2opu n SER 19 Ca -0.14 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.12 2opu n SER 19 Cb 0.59 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.51 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 -0.93 2.33 -2.63 4.33 0.00 -1.22 -4.48 117.12 114.52 2opu n MET 20 Ca 0.00 -2.79 -0.43 0.00 0.00 0.00 0.00 57.70 54.48 2opu n MET 20 Cb 0.00 -3.58 -0.02 0.00 0.00 0.00 0.00 33.22 29.62 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 7.55 4.58 -0.29 3.17 2.01 -0.54 -4.71 115.64 127.41 2opu s THR 21 Ca 0.61 1.88 -0.18 0.00 0.31 0.00 0.00 61.69 64.31 2opu s THR 21 Cb 0.03 -4.31 -0.02 0.00 0.01 0.00 0.00 72.50 68.21 2opu s THR 21 CO 0.10 -0.27 0.51 -0.70 -0.69 0.00 0.00 174.62 173.57 2opu s GLU 22 N 3.39 3.92 -0.49 4.92 2.56 -0.50 0.05 118.70 132.55 2opu s GLU 22 Ca 0.46 0.15 -0.15 0.00 0.00 0.00 0.00 54.97 55.43 2opu s GLU 22 Cb -0.15 -3.71 0.09 0.00 2.00 0.00 0.00 34.13 32.37 2opu s GLU 22 CO 0.10 -0.45 0.42 -2.00 -0.56 0.00 0.00 175.26 172.77 2opu s GLU 23 N 2.35 2.96 -0.22 4.30 2.56 -0.85 -0.36 118.70 129.44 2opu s GLU 23 Ca 0.20 -1.48 -0.17 0.00 0.00 0.00 0.00 54.97 53.53 2opu s GLU 23 Cb -0.15 -4.17 -0.04 0.00 2.00 0.00 0.00 34.13 31.77 2opu s GLU 23 CO 0.11 -1.13 0.45 -0.47 -0.56 0.00 0.00 175.26 173.66 2opu s TYR 24 N 1.61 3.34 -0.47 5.30 6.14 0.45 -1.47 117.35 132.26 2opu s TYR 24 Ca 0.04 0.64 -0.28 0.00 0.64 0.00 0.00 57.07 58.11 2opu s TYR 24 Cb -0.26 -2.60 0.03 0.00 0.42 0.00 0.00 41.96 39.55 2opu s TYR 24 CO 0.05 -0.10 1.07 1.03 0.64 0.00 0.00 175.55 178.24 2opu s ARG 25 N 1.63 3.68 -0.06 4.97 0.52 -1.26 -0.91 118.95 127.52 2opu s ARG 25 Ca 0.20 0.46 0.01 0.00 -0.52 0.00 0.00 55.73 55.88 2opu s ARG 25 Cb -0.15 -3.91 0.02 0.00 0.52 0.00 0.00 34.95 31.43 2opu s ARG 25 CO 0.09 -1.31 -0.06 0.54 0.02 0.00 0.00 175.30 174.58 2opu s VAL 26 N 4.20 0.70 0.27 3.52 0.11 -0.50 -4.95 120.40 123.74 2opu s VAL 26 Ca 0.44 -0.18 -0.30 0.00 -2.93 0.00 0.00 61.98 59.01 2opu s VAL 26 Cb -0.08 -0.72 -0.13 0.00 -1.53 0.00 0.00 36.38 33.92 2opu s VAL 26 CO 0.29 0.28 1.35 -2.65 -3.33 0.00 0.00 175.10 171.04 2opu n PRO 27 N 4.28 2.00 0.25 1.54 -0.02 -1.26 -0.67 135.00 141.12 2opu n PRO 27 Ca -0.20 0.71 0.08 0.00 -2.02 0.00 0.00 63.50 62.06 2opu n PRO 27 Cb 0.51 -2.33 0.61 0.00 -0.02 0.00 0.00 33.50 32.27 2opu n PRO 27 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2opu h ASP 28 N 3.61 0.00 0.96 2.55 2.03 -1.89 0.26 116.42 123.93 2opu h ASP 28 Ca -0.45 0.00 -0.16 0.00 -0.73 0.00 0.00 57.03 55.69 2opu h ASP 28 Cb 1.28 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.76 2opu h ASP 28 CO 0.71 0.07 -0.78 1.23 -1.03 0.00 0.00 179.24 179.44 2opu h GLY 29 N 0.21 0.00 2.00 7.15 0.00 -2.00 -2.67 103.07 107.77 2opu h GLY 29 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2opu h GLY 29 CO 0.01 0.00 -0.06 1.98 0.00 0.00 0.00 176.54 178.47 2opu h MET 30 N 0.00 0.00 -0.40 4.80 -1.53 -0.97 -1.76 114.93 115.08 2opu h MET 30 Ca -0.01 0.00 -0.15 0.00 -3.44 0.00 0.00 59.70 56.11 2opu h MET 30 Cb 1.46 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 32.50 2opu h MET 30 CO 0.10 0.06 -0.33 0.28 0.14 0.00 0.00 176.91 177.16 2opu h VAL 31 N 0.00 1.27 -0.29 -5.77 2.07 -0.71 -0.21 116.25 112.62 2opu h VAL 31 Ca -0.00 -1.50 0.08 0.00 0.82 0.00 0.00 66.70 66.11 2opu h VAL 31 Cb 0.92 1.32 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 2opu h VAL 31 CO 0.01 0.50 0.24 1.23 0.02 0.00 0.00 177.57 179.57 2opu h GLY 32 N 0.86 0.00 1.42 2.17 0.00 -0.98 -1.13 103.07 105.41 2opu h GLY 32 Ca 0.07 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.15 2opu h GLY 32 CO 0.08 0.00 -1.40 1.41 0.00 0.00 0.00 176.54 176.63 2opu h LEU 33 N 0.00 0.00 -0.81 3.11 3.38 -1.09 -3.16 115.31 116.74 2opu h LEU 33 Ca 0.14 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.99 2opu h LEU 33 Cb 0.61 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 2opu h LEU 33 CO -0.00 1.00 -0.58 -0.29 0.09 0.00 0.00 178.44 178.66 2opu h ILE 34 N 0.00 1.37 0.00 1.22 6.09 0.07 -1.37 117.51 124.88 2opu h ILE 34 Ca -0.17 -2.00 0.00 0.00 -1.37 0.00 0.00 64.86 61.32 2opu h ILE 34 Cb 1.91 2.09 0.00 0.00 0.47 0.00 0.00 36.82 41.29 2opu h ILE 34 CO 0.10 0.56 -0.02 2.30 -3.07 0.00 0.00 178.15 178.02 2opu n ILE 35 N -3.78 0.40 0.00 2.19 -5.35 -0.54 -3.92 119.36 108.36 2opu n ILE 35 Ca -0.01 -0.19 0.00 0.00 -0.27 0.00 0.00 62.75 62.28 2opu n ILE 35 Cb 0.59 -0.54 0.00 0.00 -1.74 0.00 0.00 39.64 37.96 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 1.37 0.57 0.30 3.28 0.00 -0.52 -1.97 105.19 108.22 2opu n GLY 36 Ca 0.06 0.54 0.16 0.00 0.00 0.00 0.00 46.02 46.78 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 -3.45 114.38 110.77 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 -1.30 0.96 0.00 0.08 0.00 -0.83 -4.97 105.19 99.12 2opu n GLY 38 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 1.84 0.32 -0.02 0.00 -0.87 -4.99 105.19 101.47 2opu n GLY 39 Ca 0.00 -0.20 0.20 0.00 0.00 0.00 0.00 46.02 46.02 2opu n GLY 39 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2opu h GLU 40 N 0.00 0.00 0.07 1.61 3.07 -1.94 -2.94 114.58 114.45 2opu h GLU 40 Ca 0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 2opu h GLU 40 Cb 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.91 2opu h GLU 40 CO 0.00 0.01 -0.03 0.37 -1.40 0.00 0.00 179.01 177.95 2opu h GLN 41 N 0.00 -0.09 -0.67 2.33 4.15 -1.83 0.16 115.11 119.17 2opu h GLN 41 Ca -0.00 0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.36 2opu h GLN 41 Cb 0.05 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 27.73 2opu h GLN 41 CO 0.00 -0.05 0.16 0.97 -1.93 0.00 0.00 178.83 177.97 2opu h ILE 42 N -0.10 1.26 -0.52 2.39 6.09 -1.63 0.38 117.51 125.37 2opu h ILE 42 Ca -0.01 -0.95 0.07 0.00 -1.37 0.00 0.00 64.86 62.60 2opu h ILE 42 Cb 0.07 0.57 -0.06 0.00 0.47 0.00 0.00 36.82 37.88 2opu h ILE 42 CO 0.02 0.36 0.20 0.78 -3.07 0.00 0.00 178.15 176.44 2opu h ASN 43 N 1.01 0.22 -0.44 2.19 4.21 -1.52 0.22 115.58 121.47 2opu h ASN 43 Ca 0.21 0.06 -0.08 0.00 1.21 0.00 0.00 56.30 57.70 2opu h ASN 43 Cb 0.36 0.03 -0.02 0.00 -1.12 0.00 0.00 38.32 37.58 2opu h ASN 43 CO 0.00 0.15 -0.01 0.11 -1.29 0.00 0.00 177.43 176.39 2opu h LYS 44 N 0.39 0.85 0.07 0.81 1.57 0.02 -0.69 116.57 119.59 2opu h LYS 44 Ca 0.25 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2opu h LYS 44 Cb 0.26 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.48 2opu h LYS 44 CO -0.24 0.86 -0.03 0.82 -0.57 0.00 0.00 179.45 180.28 2opu h ILE 45 N 0.79 1.17 -0.03 1.86 1.08 -0.05 -1.51 117.51 120.82 2opu h ILE 45 Ca 0.15 -0.90 -0.14 0.00 -0.39 0.00 0.00 64.86 63.58 2opu h ILE 45 Cb 0.49 1.75 -0.02 0.00 -3.07 0.00 0.00 36.82 35.98 2opu h ILE 45 CO 0.02 0.22 -0.62 0.06 -0.69 0.00 0.00 178.15 177.14 2opu h GLN 46 N -0.50 0.11 0.03 2.37 -0.00 -0.57 0.12 115.11 116.67 2opu h GLN 46 Ca -0.01 -0.08 -0.22 0.00 -0.00 0.00 0.00 58.65 58.34 2opu h GLN 46 Cb 0.43 0.01 -0.02 0.00 -0.00 0.00 0.00 27.48 27.91 2opu h GLN 46 CO 0.02 0.70 -1.00 0.37 -0.00 0.00 0.00 178.83 178.91 2opu h GLN 47 N 0.08 0.09 -0.08 0.06 4.15 -1.19 0.31 115.11 118.53 2opu h GLN 47 Ca -0.01 -0.13 -0.10 0.00 0.77 0.00 0.00 58.65 59.18 2opu h GLN 47 Cb 1.12 0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.86 2opu h GLN 47 CO 0.09 1.01 -0.34 0.22 -1.93 0.00 0.00 178.83 177.88 2opu h ASP 48 N 0.03 0.44 -0.24 -0.69 3.58 -1.05 -3.29 116.42 115.21 2opu h ASP 48 Ca -0.04 -0.64 -0.06 0.00 0.42 0.00 0.00 57.03 56.71 2opu h ASP 48 Cb 1.72 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 42.64 2opu h ASP 48 CO 0.14 1.00 -0.10 0.77 -2.88 0.00 0.00 179.24 178.17 2opu h SER 49 N -0.10 0.50 0.00 2.28 4.64 -1.05 -3.47 113.55 116.34 2opu h SER 49 Ca -0.02 -0.40 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2opu h SER 49 Cb 0.98 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 2opu h SER 49 CO 0.07 0.78 0.00 0.61 -0.87 0.00 0.00 176.83 177.43 2opu n GLY 50 N -0.06 0.74 3.75 -0.77 0.00 0.03 -4.36 105.19 104.53 2opu n GLY 50 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 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 2.49 2.99 -2.72 0.00 4.76 0.11 -4.48 118.16 121.32 2opu n LYS 52 Ca -0.02 -2.85 -0.43 0.00 -2.87 0.00 0.00 58.31 52.14 2opu n LYS 52 Cb 0.49 -3.32 -0.03 0.00 -1.84 0.00 0.00 35.03 30.33 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 3.31 4.39 -0.24 -0.18 1.01 -1.26 -3.49 120.40 123.94 2opu s VAL 53 Ca 0.48 1.09 -0.04 0.00 0.00 0.00 0.00 61.98 63.51 2opu s VAL 53 Cb 0.11 -4.48 -0.00 0.00 0.00 0.00 0.00 36.38 32.01 2opu s VAL 53 CO -0.04 -0.82 -0.01 -1.58 0.00 0.00 0.00 175.10 172.65 2opu s GLN 54 N 3.97 3.24 -0.34 2.72 2.00 -0.39 -4.98 119.66 125.88 2opu s GLN 54 Ca 0.42 -0.73 -0.29 0.00 -2.00 0.00 0.00 55.36 52.77 2opu s GLN 54 Cb -0.09 -3.11 0.02 0.00 0.80 0.00 0.00 33.01 30.62 2opu s GLN 54 CO 0.26 -0.29 1.10 0.42 -0.50 0.00 0.00 175.29 176.28 2opu s ILE 55 N 1.47 4.45 -0.48 -2.34 -1.09 -1.26 -2.16 121.20 119.78 2opu s ILE 55 Ca 0.04 1.65 -0.16 0.00 -2.23 0.00 0.00 60.65 59.96 2opu s ILE 55 Cb -0.15 -4.43 0.08 0.00 -1.58 0.00 0.00 42.46 36.38 2opu s ILE 55 CO -0.02 -0.55 0.42 -0.55 -1.23 0.00 0.00 174.94 173.01 2opu s SER 56 N 1.82 6.15 0.46 3.58 0.15 -0.93 -4.91 113.70 120.03 2opu s SER 56 Ca 0.46 -1.34 0.26 0.00 0.70 0.00 0.00 55.95 56.03 2opu s SER 56 Cb -0.12 -2.19 0.87 0.00 -1.71 0.00 0.00 66.02 62.87 2opu s SER 56 CO 0.18 -0.68 1.80 1.55 1.20 0.00 0.00 173.24 177.29 2opu h PRO 57 N 8.78 0.00 0.05 5.44 0.13 -1.91 -2.80 132.00 141.68 2opu h PRO 57 Ca -0.29 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.57 2opu h PRO 57 Cb 1.11 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.21 2opu h PRO 57 CO 0.90 0.13 -1.43 -0.44 -0.23 0.00 0.00 178.00 176.93 2opu h ASP 58 N 0.00 0.16 0.00 1.44 5.19 -1.90 -3.47 116.42 117.83 2opu h ASP 58 Ca -0.00 -0.22 0.00 0.00 -0.62 0.00 0.00 57.03 56.18 2opu h ASP 58 Cb 0.78 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.24 2opu h ASP 58 CO 0.02 1.19 0.00 -0.24 -3.12 0.00 0.00 179.24 177.09 2opu n SER 59 N -3.30 0.00 0.00 6.45 2.88 -1.17 -4.81 113.62 113.67 2opu n SER 59 Ca -0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.42 2opu n SER 59 Cb 1.01 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.47 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 1.96 0.53 0.46 0.00 -1.26 -4.76 105.19 102.12 2opu n GLY 60 Ca 0.00 -0.64 0.12 0.00 0.00 0.00 0.00 46.02 45.50 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 0.07 3.56 -0.02 0.00 -1.26 -4.92 105.19 102.62 2opu n GLY 61 Ca 0.00 -0.56 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.31 3.00 0.01 0.99 2.01 -1.26 -5.01 118.68 116.12 2opu s LEU 62 Ca 0.25 -0.33 0.28 0.00 0.01 0.00 0.00 54.13 54.34 2opu s LEU 62 Cb 0.19 -1.78 1.08 0.00 0.01 0.00 0.00 46.19 45.69 2opu s LEU 62 CO 0.46 0.22 1.82 -0.81 1.01 0.00 0.00 176.35 179.05 2opu n PRO 63 N 1.06 0.01 0.00 1.29 -0.04 -1.26 -4.81 135.00 131.25 2opu n PRO 63 Ca -0.14 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 2opu n PRO 63 Cb 0.52 -1.51 0.00 0.00 -0.04 0.00 0.00 33.50 32.47 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 -1.52 3.75 -4.35 0.54 0.28 -1.26 -4.88 120.64 113.21 2opu n GLU 64 Ca 0.07 0.00 -0.35 0.00 -0.16 0.00 0.00 57.16 56.72 2opu n GLU 64 Cb 0.34 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 33.12 2opu n GLU 64 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 2opu s ARG 65 N 3.92 3.02 -0.35 3.44 1.81 0.16 -4.68 118.95 126.27 2opu s ARG 65 Ca 0.00 -0.39 -0.05 0.00 -1.72 0.00 0.00 55.73 53.57 2opu s ARG 65 Cb 0.00 -2.82 0.06 0.00 -0.45 0.00 0.00 34.95 31.74 2opu s ARG 65 CO 0.00 0.70 0.11 -1.54 -0.68 0.00 0.00 175.30 173.90 2opu s SER 66 N -0.88 5.26 -0.45 0.23 1.04 -1.07 -1.41 113.70 116.42 2opu s SER 66 Ca 0.13 -1.32 -0.17 0.00 0.48 0.00 0.00 55.95 55.07 2opu s SER 66 Cb -0.11 -1.84 0.04 0.00 0.10 0.00 0.00 66.02 64.20 2opu s SER 66 CO 0.02 -0.37 0.46 -0.69 0.98 0.00 0.00 173.24 173.65 2opu s VAL 67 N 1.34 5.08 0.02 5.02 1.01 -0.09 -2.19 120.40 130.60 2opu s VAL 67 Ca -0.01 -0.54 -0.23 0.00 0.00 0.00 0.00 61.98 61.21 2opu s VAL 67 Cb -0.20 -4.10 -0.05 0.00 0.00 0.00 0.00 36.38 32.02 2opu s VAL 67 CO 0.01 -0.52 0.68 -0.44 0.00 0.00 0.00 175.10 174.82 2opu s SER 68 N 2.13 7.09 -0.14 3.32 0.01 -0.92 -0.41 113.70 124.77 2opu s SER 68 Ca 0.11 1.30 0.01 0.00 1.31 0.00 0.00 55.95 58.67 2opu s SER 68 Cb -0.19 -2.41 0.02 0.00 0.21 0.00 0.00 66.02 63.64 2opu s SER 68 CO 0.12 0.06 -0.16 -0.76 0.41 0.00 0.00 173.24 172.90 2opu s LEU 69 N -0.11 1.81 -0.19 2.44 1.02 0.51 -1.26 118.68 122.89 2opu s LEU 69 Ca 0.35 -0.51 -0.07 0.00 0.02 0.00 0.00 54.13 53.91 2opu s LEU 69 Cb -0.19 -1.23 0.09 0.00 0.02 0.00 0.00 46.19 44.87 2opu s LEU 69 CO 0.20 -0.02 0.41 -0.89 0.02 0.00 0.00 176.35 176.08 2opu s THR 70 N 1.26 -0.55 0.00 5.49 2.01 -1.23 -1.40 115.64 121.22 2opu s THR 70 Ca 0.01 0.16 0.00 0.00 0.31 0.00 0.00 61.69 62.17 2opu s THR 70 Cb -0.14 -0.65 0.00 0.00 0.01 0.00 0.00 72.50 71.72 2opu s THR 70 CO -0.08 0.07 0.00 0.61 -0.69 0.00 0.00 174.62 174.53 2opu n GLY 71 N 5.23 -1.41 3.66 4.40 0.00 0.12 0.10 105.19 117.27 2opu n GLY 71 Ca -0.11 0.38 -0.09 0.00 0.00 0.00 0.00 46.02 46.21 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 -1.25 -1.44 0.22 4.61 0.00 -1.21 -3.03 121.76 119.67 2opu s ALA 72 Ca 0.00 0.11 -0.09 0.00 0.00 0.00 0.00 51.96 51.99 2opu s ALA 72 Cb 0.00 0.83 0.35 0.00 0.00 0.00 0.00 23.12 24.30 2opu s ALA 72 CO 0.00 -0.91 1.68 -1.00 0.00 0.00 0.00 175.76 175.53 2opu h PRO 73 N 2.00 0.20 0.21 0.00 0.13 -1.97 0.66 132.00 133.22 2opu h PRO 73 Ca -0.26 -0.01 -0.33 0.00 -0.87 0.00 0.00 66.00 64.53 2opu h PRO 73 Cb 1.27 -0.04 0.02 0.00 0.13 0.00 0.00 31.00 32.38 2opu h PRO 73 CO 0.30 0.13 -1.55 1.49 -0.23 0.00 0.00 178.00 178.14 2opu h GLU 74 N 0.20 0.44 -0.25 0.86 4.57 -1.97 -3.28 114.58 115.16 2opu h GLU 74 Ca 0.35 -0.75 -0.03 0.00 -1.18 0.00 0.00 59.36 57.75 2opu h GLU 74 Cb 0.57 0.28 -0.01 0.00 -0.16 0.00 0.00 28.75 29.43 2opu h GLU 74 CO -0.49 1.35 0.02 0.77 -1.18 0.00 0.00 179.01 179.48 2opu h SER 75 N 0.12 0.41 1.07 1.04 0.02 -1.50 -0.47 113.55 114.24 2opu h SER 75 Ca -0.27 -0.28 -0.05 0.00 -0.84 0.00 0.00 61.79 60.35 2opu h SER 75 Cb 2.11 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 64.54 2opu h SER 75 CO 0.23 0.59 -0.23 1.62 -1.14 0.00 0.00 176.83 177.89 2opu h VAL 76 N 0.22 0.53 0.01 2.27 3.04 0.11 -0.73 116.25 121.70 2opu h VAL 76 Ca 0.07 -1.22 -0.06 0.00 -1.01 0.00 0.00 66.70 64.48 2opu h VAL 76 Cb 0.37 1.85 0.01 0.00 -2.01 0.00 0.00 31.29 31.51 2opu h VAL 76 CO 0.01 0.23 -0.24 -0.61 -1.01 0.00 0.00 177.57 175.95 2opu h GLN 77 N 0.00 0.15 -0.46 4.17 5.75 -1.55 -2.12 115.11 121.05 2opu h GLN 77 Ca -0.00 -0.17 -0.00 0.00 -0.15 0.00 0.00 58.65 58.33 2opu h GLN 77 Cb 0.83 0.05 -0.02 0.00 1.07 0.00 0.00 27.48 29.41 2opu h GLN 77 CO 0.03 0.94 0.29 -0.22 -2.65 0.00 0.00 178.83 177.21 2opu h LYS 78 N -0.57 0.62 -0.27 1.69 1.63 -0.96 0.13 116.57 118.85 2opu h LYS 78 Ca -0.03 -0.05 0.03 0.00 -0.85 0.00 0.00 60.65 59.75 2opu h LYS 78 Cb 1.03 -0.13 -0.03 0.00 -0.60 0.00 0.00 32.23 32.49 2opu h LYS 78 CO 0.05 0.45 0.08 0.00 -3.45 0.00 0.00 179.45 176.58 2opu h ALA 79 N 1.14 0.30 0.00 5.00 0.00 -1.22 -1.47 119.26 123.01 2opu h ALA 79 Ca 0.17 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 2opu h ALA 79 Cb -0.02 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2opu h ALA 79 CO -0.03 -0.32 -0.05 0.87 0.00 0.00 0.00 179.25 179.72 2opu h LYS 80 N 0.20 0.00 -0.18 0.00 1.57 -1.04 -2.46 116.57 114.66 2opu h LYS 80 Ca 0.12 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.90 2opu h LYS 80 Cb 0.09 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 2opu h LYS 80 CO -0.13 0.05 0.10 0.52 -0.57 0.00 0.00 179.45 179.42 2opu h MET 81 N 0.00 0.25 -0.65 3.15 2.86 0.36 0.33 114.93 121.23 2opu h MET 81 Ca -0.00 -0.03 -0.06 0.00 -2.06 0.00 0.00 59.70 57.56 2opu h MET 81 Cb 0.49 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.07 2opu h MET 81 CO 0.01 0.23 0.19 0.52 1.06 0.00 0.00 176.91 178.91 2opu h MET 82 N 0.20 1.02 0.59 1.72 2.86 -1.30 -2.73 114.93 117.30 2opu h MET 82 Ca 0.06 -0.23 -0.03 0.00 -2.06 0.00 0.00 59.70 57.45 2opu h MET 82 Cb 0.05 -0.14 0.01 0.00 0.06 0.00 0.00 31.60 31.57 2opu h MET 82 CO -0.01 0.90 -0.28 -0.07 1.06 0.00 0.00 176.91 178.51 2opu h LEU 83 N 0.95 -0.67 -1.42 1.22 -0.00 -1.15 -2.13 115.31 112.10 2opu h LEU 83 Ca 0.21 -0.03 0.16 0.00 -0.00 0.00 0.00 57.88 58.22 2opu h LEU 83 Cb 0.32 0.17 -0.06 0.00 -0.00 0.00 0.00 40.66 41.09 2opu h LEU 83 CO -0.00 -0.35 0.56 -0.78 -0.00 0.00 0.00 178.44 177.87 2opu h ASP 84 N -1.00 0.52 0.61 -0.43 1.82 -0.40 0.29 116.42 117.83 2opu h ASP 84 Ca -0.08 0.04 -0.03 0.00 -0.39 0.00 0.00 57.03 56.57 2opu h ASP 84 Cb 0.67 -0.06 0.01 0.00 0.68 0.00 0.00 39.33 40.62 2opu h ASP 84 CO 0.13 0.25 -0.29 -0.78 -1.61 0.00 0.00 179.24 176.94 2opu h ASP 85 N 0.55 -0.69 -0.24 2.28 3.58 -1.33 -1.65 116.42 118.91 2opu h ASP 85 Ca 0.43 0.02 -0.16 0.00 0.42 0.00 0.00 57.03 57.74 2opu h ASP 85 Cb 0.87 0.18 -0.00 0.00 1.72 0.00 0.00 39.33 42.09 2opu h ASP 85 CO -0.18 -0.37 -0.46 0.40 -2.88 0.00 0.00 179.24 175.75 2opu h ILE 86 N -1.08 1.28 -0.61 2.25 5.03 -1.04 -2.52 117.51 120.82 2opu h ILE 86 Ca -0.08 -1.65 -0.02 0.00 -0.12 0.00 0.00 64.86 62.99 2opu h ILE 86 Cb 0.63 1.54 -0.03 0.00 -3.03 0.00 0.00 36.82 35.93 2opu h ILE 86 CO 0.14 0.54 0.32 0.58 -0.68 0.00 0.00 178.15 179.04 2opu h VAL 87 N 0.64 1.19 0.00 1.67 2.07 -0.55 -0.73 116.25 120.55 2opu h VAL 87 Ca 0.04 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 67.02 2opu h VAL 87 Cb 1.04 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2opu h VAL 87 CO 0.10 0.22 -0.15 -1.28 0.02 0.00 0.00 177.57 176.48 2opu h SER 88 N 0.86 0.00 -0.09 0.57 0.87 -0.98 0.60 113.55 115.38 2opu h SER 88 Ca 0.22 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 2opu h SER 88 Cb 0.05 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 2opu h SER 88 CO -0.03 0.15 0.05 0.03 -0.53 0.00 0.00 176.83 176.50 2opu h ARG 89 N 0.00 0.11 0.00 2.24 2.47 -0.71 -3.25 114.38 115.23 2opu h ARG 89 Ca -0.00 -0.01 -0.02 0.00 -1.26 0.00 0.00 59.98 58.70 2opu h ARG 89 Cb 0.67 -0.02 -0.00 0.00 -1.65 0.00 0.00 29.97 28.97 2opu h ARG 89 CO 0.02 0.07 -0.12 0.78 0.56 0.00 0.00 179.97 181.28 2opu h GLY 90 N 0.11 0.00 -7.30 0.04 0.00 -1.29 -3.30 103.07 91.33 2opu h GLY 90 Ca 0.03 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.74 2opu h GLY 90 CO -0.01 0.00 0.90 0.50 0.00 0.00 0.00 176.54 177.93 2opu s ARG 91 N -1.94 3.35 0.00 4.80 1.81 0.21 -3.62 118.95 123.54 2opu s ARG 91 Ca -0.11 -1.03 0.00 0.00 -1.72 0.00 0.00 55.73 52.87 2opu s ARG 91 Cb -0.01 -4.62 0.00 0.00 -0.45 0.00 0.00 34.95 29.87 2opu s ARG 91 CO 0.36 -1.94 0.00 0.41 -0.68 0.00 0.00 175.30 173.45 2opu n GLY 92 N 5.69 1.80 0.00 -3.53 0.00 -1.25 -4.09 105.19 103.82 2opu n GLY 92 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2opu n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93