#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 -4.87 0.00 7.28 2.88 -1.26 -4.67 113.62 112.98 2opu n SER 6 Ca 0.00 0.59 0.00 0.00 -1.33 0.00 0.00 58.87 58.13 2opu n SER 6 Cb 0.00 -1.69 0.00 0.00 -0.75 0.00 0.00 64.21 61.77 2opu n SER 6 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2opu n SER 7 N -0.56 0.00 -0.16 -3.46 7.64 0.48 -4.83 113.62 112.74 2opu n SER 7 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 2opu n SER 7 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.00 0.00 0.00 1.43 1.13 -1.26 -0.56 117.38 118.12 2opu n GLN 8 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2opu n GLN 8 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.35 2opu n GLN 8 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 2opu n LEU 9 N 0.00 0.00 0.00 1.08 0.00 0.13 -4.82 117.00 113.39 2opu n LEU 9 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 2opu n LEU 9 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 2opu n LEU 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 177.39 178.00 2opu n GLY 10 N 0.00 2.07 0.00 -3.96 0.00 -1.26 -0.28 105.19 101.76 2opu n GLY 10 Ca 0.00 -1.03 0.14 0.00 0.00 0.00 0.00 46.02 45.13 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 1.31 0.45 -3.54 1.61 -0.04 -1.26 -4.66 135.00 128.87 2opu n PRO 11 Ca 0.00 0.02 -0.38 0.00 -0.04 0.00 0.00 63.50 63.10 2opu n PRO 11 Cb 0.00 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 31.86 2opu n PRO 11 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2opu s ILE 12 N -2.51 5.28 -0.08 0.52 1.01 -1.26 -5.01 121.20 119.15 2opu s ILE 12 Ca 0.28 0.30 0.13 0.00 0.00 0.00 0.00 60.65 61.37 2opu s ILE 12 Cb 0.19 -3.58 -0.06 0.00 0.01 0.00 0.00 42.46 39.03 2opu s ILE 12 CO 0.42 0.25 1.24 0.45 0.00 0.00 0.00 174.94 177.29 2opu h HIS 13 N 8.10 0.00 -0.57 3.97 3.86 -1.91 -2.53 115.15 126.07 2opu h HIS 13 Ca -0.35 0.00 -0.45 0.00 -1.16 0.00 0.00 60.37 58.41 2opu h HIS 13 Cb 1.18 0.00 0.03 0.00 1.06 0.00 0.00 27.41 29.68 2opu h HIS 13 CO 0.74 0.66 0.02 -2.30 0.86 0.00 0.00 177.93 177.91 2opu n PRO 14 N -3.18 0.00 -1.09 2.45 -0.02 -1.26 -4.62 135.00 127.28 2opu n PRO 14 Ca -0.02 0.00 -0.43 0.00 -2.02 0.00 0.00 63.50 61.03 2opu n PRO 14 Cb 0.82 -0.85 -0.06 0.00 -0.02 0.00 0.00 33.50 33.39 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 0.85 0.00 0.00 0.52 -0.01 -1.26 -2.78 135.00 132.32 2opu n PRO 15 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.60 2opu n PRO 15 Cb 0.05 -1.04 0.00 0.00 -0.01 0.00 0.00 33.50 32.50 2opu n PRO 15 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 175.50 173.19 2opu n PRO 16 N 1.55 0.00 0.00 0.52 -0.01 -1.26 -4.55 135.00 131.25 2opu n PRO 16 Ca 0.16 0.00 0.11 0.00 -0.01 0.00 0.00 63.50 63.76 2opu n PRO 16 Cb 0.03 0.00 0.04 0.00 -0.01 0.00 0.00 33.50 33.56 2opu n PRO 16 CO 0.00 0.00 0.00 0.54 -0.01 0.00 0.00 175.50 176.03 2opu n ARG 17 N 0.00 1.25 0.00 -0.52 1.74 -1.12 -1.40 116.66 116.62 2opu n ARG 17 Ca 0.00 -1.02 0.00 0.00 -0.77 0.00 0.00 57.85 56.06 2opu n ARG 17 Cb 0.00 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 29.96 2opu n ARG 17 CO 0.00 0.00 0.00 -2.37 -1.52 0.00 0.00 177.63 173.74 2opu n THR 18 N 0.01 0.00 0.17 0.55 5.66 -1.26 -4.79 114.28 114.63 2opu n THR 18 Ca 0.10 0.00 0.06 0.00 -3.05 0.00 0.00 64.05 61.16 2opu n THR 18 Cb 0.47 0.00 0.12 0.00 -1.55 0.00 0.00 70.33 69.36 2opu n THR 18 CO 0.00 0.00 0.00 0.77 -3.05 0.00 0.00 175.07 172.79 2opu h SER 19 N 0.00 0.00 -1.77 1.09 4.64 -1.54 -3.26 113.55 112.72 2opu h SER 19 Ca 0.00 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.71 2opu h SER 19 Cb 0.00 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 61.69 2opu h SER 19 CO 0.00 0.31 -0.50 0.23 -0.87 0.00 0.00 176.83 176.00 2opu n MET 20 N -3.20 3.39 -2.57 4.77 2.81 -1.21 -4.42 117.12 116.70 2opu n MET 20 Ca 0.02 -4.52 -0.43 0.00 -1.81 0.00 0.00 57.70 50.97 2opu n MET 20 Cb 0.64 -2.26 -0.02 0.00 -0.71 0.00 0.00 33.22 30.87 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 -5.21 4.25 -0.23 2.03 2.01 0.62 -4.39 115.64 114.71 2opu s THR 21 Ca 0.48 1.34 -0.04 0.00 0.31 0.00 0.00 61.69 63.78 2opu s THR 21 Cb 0.37 -4.47 -0.00 0.00 0.01 0.00 0.00 72.50 68.40 2opu s THR 21 CO -0.20 -0.79 -0.02 -0.70 -0.69 0.00 0.00 174.62 172.22 2opu s GLU 22 N 4.26 3.32 -0.51 4.92 2.56 -0.46 0.18 118.70 132.97 2opu s GLU 22 Ca 0.49 -0.67 -0.17 0.00 0.00 0.00 0.00 54.97 54.63 2opu s GLU 22 Cb -0.10 -3.08 0.09 0.00 2.00 0.00 0.00 34.13 33.04 2opu s GLU 22 CO 0.27 -0.24 0.49 -2.00 -0.56 0.00 0.00 175.26 173.22 2opu s GLU 23 N 1.48 3.01 -0.15 4.30 2.56 0.28 -0.11 118.70 130.08 2opu s GLU 23 Ca 0.05 -1.34 -0.18 0.00 0.00 0.00 0.00 54.97 53.49 2opu s GLU 23 Cb -0.15 -4.18 -0.04 0.00 2.00 0.00 0.00 34.13 31.76 2opu s GLU 23 CO -0.02 -1.19 0.49 -0.47 -0.56 0.00 0.00 175.26 173.51 2opu s TYR 24 N 1.93 3.46 -0.45 5.30 6.14 0.79 -0.38 117.35 134.13 2opu s TYR 24 Ca 0.07 0.85 -0.24 0.00 0.64 0.00 0.00 57.07 58.38 2opu s TYR 24 Cb -0.25 -2.59 0.03 0.00 0.42 0.00 0.00 41.96 39.57 2opu s TYR 24 CO 0.07 0.08 0.83 1.03 0.64 0.00 0.00 175.55 178.19 2opu s ARG 25 N 0.97 3.45 -0.09 4.97 0.52 -1.26 -1.85 118.95 125.66 2opu s ARG 25 Ca 0.25 -0.01 0.02 0.00 -0.52 0.00 0.00 55.73 55.47 2opu s ARG 25 Cb -0.15 -3.93 0.01 0.00 0.52 0.00 0.00 34.95 31.40 2opu s ARG 25 CO 0.10 -1.14 -0.16 0.54 0.02 0.00 0.00 175.30 174.66 2opu s VAL 26 N 3.43 1.47 0.58 3.52 0.11 -0.58 -4.91 120.40 124.01 2opu s VAL 26 Ca 0.32 -0.65 -0.20 0.00 -2.93 0.00 0.00 61.98 58.52 2opu s VAL 26 Cb -0.11 -1.32 -0.05 0.00 -1.53 0.00 0.00 36.38 33.37 2opu s VAL 26 CO 0.24 0.43 1.19 -2.65 -3.33 0.00 0.00 175.10 170.98 2opu n PRO 27 N 3.93 1.29 -0.06 1.54 -0.02 -1.26 0.07 135.00 140.49 2opu n PRO 27 Ca -0.20 0.49 -0.07 0.00 -2.02 0.00 0.00 63.50 61.69 2opu n PRO 27 Cb 0.52 -2.39 -0.01 0.00 -0.02 0.00 0.00 33.50 31.59 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 0.95 -0.44 1.02 2.55 3.58 -1.91 0.22 116.42 122.38 2opu h ASP 28 Ca -0.50 0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.06 2opu h ASP 28 Cb 1.33 0.24 0.00 0.00 1.72 0.00 0.00 39.33 42.63 2opu h ASP 28 CO 0.54 -0.17 0.00 1.23 -2.88 0.00 0.00 179.24 177.96 2opu h GLY 29 N -0.10 0.00 2.00 -0.78 0.00 -2.00 -2.84 103.07 99.36 2opu h GLY 29 Ca 0.14 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.30 2opu h GLY 29 CO -0.33 0.00 -0.83 1.98 0.00 0.00 0.00 176.54 177.36 2opu h MET 30 N 0.00 0.00 -0.00 4.80 1.85 -0.98 -2.25 114.93 118.36 2opu h MET 30 Ca 0.00 0.00 -0.16 0.00 -0.61 0.00 0.00 59.70 58.93 2opu h MET 30 Cb 0.51 0.00 -0.02 0.00 0.43 0.00 0.00 31.60 32.52 2opu h MET 30 CO 0.00 0.83 -0.74 -0.24 -0.40 0.00 0.00 176.91 176.36 2opu h VAL 31 N 0.00 1.53 0.00 -5.77 3.04 -0.94 0.68 116.25 114.79 2opu h VAL 31 Ca -0.01 -2.52 -0.01 0.00 -1.01 0.00 0.00 66.70 63.15 2opu h VAL 31 Cb 1.62 2.36 -0.00 0.00 -2.01 0.00 0.00 31.29 33.26 2opu h VAL 31 CO 0.11 0.72 -0.04 1.23 -1.01 0.00 0.00 177.57 178.58 2opu h GLY 32 N 2.20 0.00 1.25 3.17 0.00 -1.30 -2.25 103.07 106.13 2opu h GLY 32 Ca -0.01 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.17 2opu h GLY 32 CO 0.10 0.00 -1.19 1.41 0.00 0.00 0.00 176.54 176.86 2opu h LEU 33 N 0.00 0.00 -1.00 3.11 3.38 -0.75 -3.02 115.31 117.03 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 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2opu h LEU 33 CO 0.00 0.56 -0.40 -0.29 0.09 0.00 0.00 178.44 178.40 2opu h ILE 34 N 0.00 1.30 0.00 1.22 6.09 -0.31 -0.42 117.51 125.39 2opu h ILE 34 Ca -0.12 -1.48 0.00 0.00 -1.37 0.00 0.00 64.86 61.89 2opu h ILE 34 Cb 1.53 1.69 0.00 0.00 0.47 0.00 0.00 36.82 40.51 2opu h ILE 34 CO 0.05 0.44 -0.20 2.30 -3.07 0.00 0.00 178.15 177.67 2opu n ILE 35 N -4.04 0.54 0.00 2.19 -5.35 -1.02 -3.82 119.36 107.86 2opu n ILE 35 Ca -0.01 -0.29 0.00 0.00 -0.27 0.00 0.00 62.75 62.17 2opu n ILE 35 Cb 0.47 -0.44 0.00 0.00 -1.74 0.00 0.00 39.64 37.93 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 1.31 0.22 1.50 3.28 0.00 -0.17 -2.47 105.19 108.86 2opu n GLY 36 Ca 0.05 0.64 0.00 0.00 0.00 0.00 0.00 46.02 46.71 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 0.88 -0.95 1.61 1.85 -1.26 -4.68 116.66 114.11 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 -1.06 0.00 0.00 -1.05 0.00 0.00 32.46 30.35 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 1.45 0.71 0.00 2.89 0.00 -1.18 -4.16 105.19 104.90 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 -2.13 1.06 0.37 -0.02 0.00 -1.03 -5.00 105.19 98.44 2opu n GLY 39 Ca 0.00 0.02 0.19 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.20 1.61 4.57 -1.72 -1.93 114.58 116.91 2opu h GLU 40 Ca 0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 2opu h GLU 40 Cb 0.00 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 2opu h GLU 40 CO 0.00 0.00 0.02 0.37 -1.18 0.00 0.00 179.01 178.22 2opu h GLN 41 N 0.00 0.34 -0.56 1.92 4.15 -1.77 -0.27 115.11 118.92 2opu h GLN 41 Ca 0.14 -0.10 -0.09 0.00 0.77 0.00 0.00 58.65 59.37 2opu h GLN 41 Cb 0.86 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.49 2opu h GLN 41 CO -0.00 0.51 -0.01 0.97 -1.93 0.00 0.00 178.83 178.36 2opu h ILE 42 N 0.12 1.26 -0.81 2.39 6.09 -1.45 0.27 117.51 125.38 2opu h ILE 42 Ca 0.06 -1.12 0.12 0.00 -1.37 0.00 0.00 64.86 62.55 2opu h ILE 42 Cb 0.34 0.84 -0.08 0.00 0.47 0.00 0.00 36.82 38.39 2opu h ILE 42 CO 0.01 0.40 0.42 -1.13 -3.07 0.00 0.00 178.15 174.78 2opu h ASN 43 N 0.88 0.55 -0.10 2.19 -1.24 -1.37 0.38 115.58 116.87 2opu h ASN 43 Ca 0.16 0.07 -0.01 0.00 0.71 0.00 0.00 56.30 57.23 2opu h ASN 43 Cb 0.53 -0.02 -0.00 0.00 0.73 0.00 0.00 38.32 39.56 2opu h ASN 43 CO 0.03 0.27 0.01 0.50 -1.29 0.00 0.00 177.43 176.96 2opu h LYS 44 N 0.66 0.17 0.71 6.67 3.64 -0.22 -2.33 116.57 125.88 2opu h LYS 44 Ca 0.42 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.72 2opu h LYS 44 Cb 0.51 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.31 2opu h LYS 44 CO -0.31 0.38 -0.40 0.82 -2.27 0.00 0.00 179.45 177.68 2opu h ILE 45 N -0.06 0.19 0.00 2.00 2.04 0.14 0.37 117.51 122.19 2opu h ILE 45 Ca 0.03 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.88 2opu h ILE 45 Cb 0.30 0.19 -0.00 0.00 -0.74 0.00 0.00 36.82 36.57 2opu h ILE 45 CO 0.00 0.00 -0.06 0.06 0.00 0.00 0.00 178.15 178.15 2opu h GLN 46 N -1.03 0.00 0.14 2.37 3.07 -0.45 -0.29 115.11 118.91 2opu h GLN 46 Ca -0.09 0.00 -0.30 0.00 0.09 0.00 0.00 58.65 58.35 2opu h GLN 46 Cb 0.82 0.00 0.02 0.00 0.08 0.00 0.00 27.48 28.40 2opu h GLN 46 CO 0.12 0.06 -1.26 0.37 0.09 0.00 0.00 178.83 178.21 2opu h GLN 47 N 0.00 0.53 -0.78 0.06 5.75 -1.28 -1.00 115.11 118.39 2opu h GLN 47 Ca -0.00 -0.76 -0.05 0.00 -0.15 0.00 0.00 58.65 57.70 2opu h GLN 47 Cb 0.71 0.26 -0.03 0.00 1.07 0.00 0.00 27.48 29.49 2opu h GLN 47 CO 0.01 1.34 0.31 0.22 -2.65 0.00 0.00 178.83 178.06 2opu h ASP 48 N 0.22 1.07 0.08 -0.69 3.58 0.35 -3.20 116.42 117.83 2opu h ASP 48 Ca -0.18 -0.16 -0.12 0.00 0.42 0.00 0.00 57.03 56.99 2opu h ASP 48 Cb 1.94 -0.28 0.01 0.00 1.72 0.00 0.00 39.33 42.73 2opu h ASP 48 CO 0.23 0.95 -0.52 0.77 -2.88 0.00 0.00 179.24 177.79 2opu h SER 49 N 1.13 0.27 0.00 2.28 4.64 -1.15 -3.48 113.55 117.23 2opu h SER 49 Ca 0.26 -0.96 0.00 0.00 -0.47 0.00 0.00 61.79 60.62 2opu h SER 49 Cb 0.21 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2opu h SER 49 CO -0.02 1.25 0.00 0.61 -0.87 0.00 0.00 176.83 177.79 2opu n GLY 50 N 1.64 0.75 3.79 -0.77 0.00 -0.39 -3.96 105.19 106.25 2opu n GLY 50 Ca -0.13 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.52 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 0.90 3.11 -2.72 0.00 5.02 0.13 -4.73 118.16 119.86 2opu n LYS 52 Ca -0.01 -3.09 -0.43 0.00 -2.02 0.00 0.00 58.31 52.75 2opu n LYS 52 Cb 0.50 -3.41 -0.03 0.00 -0.02 0.00 0.00 35.03 32.07 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 3.76 4.36 -0.27 -0.18 1.01 -1.26 -3.71 120.40 124.11 2opu s VAL 53 Ca 0.51 1.00 -0.06 0.00 0.00 0.00 0.00 61.98 63.43 2opu s VAL 53 Cb 0.07 -4.50 0.01 0.00 0.00 0.00 0.00 36.38 31.95 2opu s VAL 53 CO 0.02 -0.89 0.04 -1.10 0.00 0.00 0.00 175.10 173.18 2opu s GLN 54 N 4.04 3.13 -0.52 2.72 -1.52 -0.56 -4.97 119.66 121.99 2opu s GLN 54 Ca 0.42 -0.82 -0.22 0.00 -1.95 0.00 0.00 55.36 52.79 2opu s GLN 54 Cb -0.09 -3.26 0.04 0.00 -0.22 0.00 0.00 33.01 29.48 2opu s GLN 54 CO 0.28 -0.39 0.82 0.42 -0.25 0.00 0.00 175.29 176.17 2opu s ILE 55 N 1.48 4.58 -0.51 1.08 -1.09 -1.26 -0.66 121.20 124.82 2opu s ILE 55 Ca 0.03 0.04 -0.24 0.00 -2.23 0.00 0.00 60.65 58.25 2opu s ILE 55 Cb -0.17 -4.43 0.04 0.00 -1.58 0.00 0.00 42.46 36.32 2opu s ILE 55 CO 0.01 -0.96 0.88 -0.44 -1.23 0.00 0.00 174.94 173.19 2opu s SER 56 N 2.70 6.37 0.10 3.58 0.01 0.06 -4.93 113.70 121.61 2opu s SER 56 Ca 0.25 -0.26 -0.10 0.00 1.31 0.00 0.00 55.95 57.15 2opu s SER 56 Cb -0.15 -2.42 -0.15 0.00 0.21 0.00 0.00 66.02 63.52 2opu s SER 56 CO 0.17 -1.10 1.27 -0.65 0.41 0.00 0.00 173.24 173.34 2opu h PRO 57 N 9.17 0.61 -6.33 12.44 0.11 -1.95 -2.99 132.00 143.06 2opu h PRO 57 Ca -0.26 -0.61 -0.57 0.00 0.11 0.00 0.00 66.00 64.67 2opu h PRO 57 Cb 1.08 0.16 -0.06 0.00 0.11 0.00 0.00 31.00 32.29 2opu h PRO 57 CO 1.04 1.22 0.86 0.34 -0.21 0.00 0.00 178.00 181.25 2opu s ASP 58 N -7.17 6.90 -0.25 -2.05 2.15 -1.26 -4.88 116.67 110.10 2opu s ASP 58 Ca -0.08 1.05 -0.29 0.00 0.43 0.00 0.00 52.55 53.65 2opu s ASP 58 Cb 0.08 -2.54 -0.00 0.00 -0.30 0.00 0.00 42.92 40.15 2opu s ASP 58 CO 0.90 -0.91 1.28 -0.94 -0.17 0.00 0.00 175.17 175.32 2opu s SER 59 N 1.78 6.78 0.00 -0.34 1.04 -1.26 -4.89 113.70 116.82 2opu s SER 59 Ca 0.47 1.37 0.00 0.00 0.48 0.00 0.00 55.95 58.27 2opu s SER 59 Cb -0.12 -2.54 0.00 0.00 0.10 0.00 0.00 66.02 63.46 2opu s SER 59 CO 0.17 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 174.04 2opu n GLY 60 N 4.04 -0.18 0.08 7.32 0.00 -1.26 -4.73 105.19 110.45 2opu n GLY 60 Ca 0.14 0.00 0.12 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 3.11 -1.48 3.58 -0.02 0.00 -1.26 -4.78 105.19 104.35 2opu n GLY 61 Ca 0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 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 -4.07 3.07 0.00 0.99 1.02 -1.26 -4.99 118.68 113.44 2opu s LEU 62 Ca 0.09 -0.37 0.22 0.00 0.02 0.00 0.00 54.13 54.10 2opu s LEU 62 Cb 0.12 -1.86 0.91 0.00 0.02 0.00 0.00 46.19 45.39 2opu s LEU 62 CO 0.49 0.18 1.64 -0.81 0.02 0.00 0.00 176.35 177.87 2opu n PRO 63 N 0.72 1.56 -2.95 1.29 -0.04 -1.26 -4.64 135.00 129.69 2opu n PRO 63 Ca -0.13 -0.84 -0.11 0.00 -0.04 0.00 0.00 63.50 62.38 2opu n PRO 63 Cb 0.52 -1.40 -0.03 0.00 -0.04 0.00 0.00 33.50 32.56 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 0.05 1.13 -3.00 0.54 0.28 -1.26 -4.79 120.64 113.59 2opu n GLU 64 Ca 0.17 -1.34 -0.36 0.00 -0.16 0.00 0.00 57.16 55.47 2opu n GLU 64 Cb 0.28 0.56 -0.06 0.00 1.43 0.00 0.00 31.44 33.65 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 -2.63 4.32 -0.15 3.44 6.06 0.11 -4.52 118.95 125.58 2opu s ARG 65 Ca 0.04 0.99 0.01 0.00 -2.50 0.00 0.00 55.73 54.28 2opu s ARG 65 Cb 0.00 -2.78 0.02 0.00 0.06 0.00 0.00 34.95 32.25 2opu s ARG 65 CO 0.03 0.32 -0.19 -1.54 -2.50 0.00 0.00 175.30 171.42 2opu s SER 66 N -1.72 2.95 -0.11 -2.12 1.04 -1.13 -1.53 113.70 111.08 2opu s SER 66 Ca 0.47 -0.58 0.02 0.00 0.48 0.00 0.00 55.95 56.34 2opu s SER 66 Cb -0.16 -1.36 -0.01 0.00 0.10 0.00 0.00 66.02 64.58 2opu s SER 66 CO 0.21 0.02 -0.17 -0.69 0.98 0.00 0.00 173.24 173.59 2opu s VAL 67 N 1.13 2.70 -0.20 5.02 1.01 -0.77 -0.76 120.40 128.53 2opu s VAL 67 Ca -0.00 -0.80 -0.16 0.00 0.00 0.00 0.00 61.98 61.01 2opu s VAL 67 Cb -0.14 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 2opu s VAL 67 CO -0.08 0.54 0.41 -0.44 0.00 0.00 0.00 175.10 175.54 2opu s SER 68 N 0.19 6.45 -0.41 3.32 0.01 0.17 -0.15 113.70 123.29 2opu s SER 68 Ca -0.10 0.53 -0.08 0.00 1.31 0.00 0.00 55.95 57.61 2opu s SER 68 Cb -0.16 -2.24 0.08 0.00 0.21 0.00 0.00 66.02 63.92 2opu s SER 68 CO 0.06 -0.08 0.23 -0.76 0.41 0.00 0.00 173.24 173.10 2opu s LEU 69 N 1.30 5.07 -0.18 2.44 2.01 0.85 -1.49 118.68 128.68 2opu s LEU 69 Ca 0.19 -1.57 -0.10 0.00 0.01 0.00 0.00 54.13 52.66 2opu s LEU 69 Cb -0.15 -1.94 0.06 0.00 0.01 0.00 0.00 46.19 44.17 2opu s LEU 69 CO 0.08 -0.52 0.44 -0.89 1.01 0.00 0.00 176.35 176.47 2opu s THR 70 N 1.37 -0.02 0.00 5.49 2.01 -1.24 -1.35 115.64 121.89 2opu s THR 70 Ca 0.03 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.11 2opu s THR 70 Cb -0.23 -0.64 0.00 0.00 0.01 0.00 0.00 72.50 71.64 2opu s THR 70 CO 0.01 0.03 0.00 0.61 -0.69 0.00 0.00 174.62 174.58 2opu n GLY 71 N 4.15 -1.76 3.78 4.40 0.00 -0.49 0.19 105.19 115.46 2opu n GLY 71 Ca -0.22 0.57 -0.08 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.24 0.15 4.61 0.00 -1.05 -4.04 121.76 119.18 2opu s ALA 72 Ca 0.00 -0.20 -0.28 0.00 0.00 0.00 0.00 51.96 51.48 2opu s ALA 72 Cb 0.00 0.86 -0.02 0.00 0.00 0.00 0.00 23.12 23.97 2opu s ALA 72 CO 0.00 -0.99 1.56 -1.35 0.00 0.00 0.00 175.76 174.98 2opu h PRO 73 N 2.01 -0.28 0.03 0.00 0.11 -1.84 0.65 132.00 132.68 2opu h PRO 73 Ca -0.22 0.02 -0.24 0.00 0.11 0.00 0.00 66.00 65.68 2opu h PRO 73 Cb 1.26 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.44 2opu h PRO 73 CO 0.26 -0.19 -1.00 1.49 -0.21 0.00 0.00 178.00 178.36 2opu h GLU 74 N -0.29 0.38 -0.35 1.05 4.57 -1.98 -3.32 114.58 114.65 2opu h GLU 74 Ca 0.14 -0.45 -0.11 0.00 -1.18 0.00 0.00 59.36 57.76 2opu h GLU 74 Cb 0.57 0.14 -0.01 0.00 -0.16 0.00 0.00 28.75 29.29 2opu h GLU 74 CO -0.65 1.13 -0.20 0.77 -1.18 0.00 0.00 179.01 178.88 2opu h SER 75 N 0.20 0.79 0.46 1.04 0.02 -1.47 -2.66 113.55 111.93 2opu h SER 75 Ca -0.09 -0.42 -0.14 0.00 -0.84 0.00 0.00 61.79 60.30 2opu h SER 75 Cb 1.65 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.96 2opu h SER 75 CO 0.17 1.03 -0.61 1.62 -1.14 0.00 0.00 176.83 177.90 2opu h VAL 76 N 0.54 1.41 -0.09 2.27 3.04 0.15 -1.02 116.25 122.55 2opu h VAL 76 Ca 0.07 -2.04 -0.22 0.00 -1.01 0.00 0.00 66.70 63.51 2opu h VAL 76 Cb 0.75 2.06 0.01 0.00 -2.01 0.00 0.00 31.29 32.10 2opu h VAL 76 CO 0.06 0.59 -0.82 1.56 -1.01 0.00 0.00 177.57 177.95 2opu h GLN 77 N 0.11 0.60 -0.20 4.17 4.20 -1.64 -2.27 115.11 120.08 2opu h GLN 77 Ca -0.01 -0.53 -0.15 0.00 0.06 0.00 0.00 58.65 58.02 2opu h GLN 77 Cb 1.11 0.12 -0.01 0.00 0.30 0.00 0.00 27.48 29.00 2opu h GLN 77 CO 0.09 1.15 -0.51 -0.22 -0.67 0.00 0.00 178.83 178.67 2opu h LYS 78 N 0.39 0.57 -0.71 1.46 1.63 -1.26 0.20 116.57 118.85 2opu h LYS 78 Ca -0.06 -0.34 -0.05 0.00 -0.85 0.00 0.00 60.65 59.35 2opu h LYS 78 Cb 1.44 0.03 -0.03 0.00 -0.60 0.00 0.00 32.23 33.07 2opu h LYS 78 CO 0.16 0.94 0.24 0.00 -3.45 0.00 0.00 179.45 177.34 2opu h ALA 79 N 0.99 0.93 0.00 5.00 0.00 -1.17 -2.66 119.26 122.34 2opu h ALA 79 Ca 0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2opu h ALA 79 Cb 1.05 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 2opu h ALA 79 CO 0.10 0.59 -0.24 0.87 0.00 0.00 0.00 179.25 180.56 2opu h LYS 80 N 1.03 0.00 0.48 0.00 1.57 -1.21 -2.60 116.57 115.84 2opu h LYS 80 Ca 0.23 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.99 2opu h LYS 80 Cb 0.27 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 2opu h LYS 80 CO -0.01 0.05 -0.29 1.98 -0.57 0.00 0.00 179.45 180.61 2opu h MET 81 N 0.00 -0.70 -0.33 3.15 4.05 -0.27 0.27 114.93 121.10 2opu h MET 81 Ca -0.00 0.05 -0.15 0.00 -0.28 0.00 0.00 59.70 59.31 2opu h MET 81 Cb 1.05 0.16 -0.01 0.00 -0.80 0.00 0.00 31.60 32.00 2opu h MET 81 CO 0.01 -0.47 -0.40 0.52 0.23 0.00 0.00 176.91 176.80 2opu h MET 82 N -0.73 0.80 0.52 0.39 2.86 -1.54 -2.80 114.93 114.43 2opu h MET 82 Ca -0.06 -0.42 -0.02 0.00 -2.06 0.00 0.00 59.70 57.15 2opu h MET 82 Cb 0.60 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.25 2opu h MET 82 CO 0.06 1.05 -0.42 -0.07 1.06 0.00 0.00 176.91 178.59 2opu h LEU 83 N 0.65 -1.10 -0.88 1.22 -0.00 -1.37 -2.45 115.31 111.38 2opu h LEU 83 Ca 0.05 0.08 0.14 0.00 -0.00 0.00 0.00 57.88 58.15 2opu h LEU 83 Cb 0.96 0.35 -0.09 0.00 -0.00 0.00 0.00 40.66 41.88 2opu h LEU 83 CO 0.09 -0.60 0.49 -0.78 -0.00 0.00 0.00 178.44 177.64 2opu h ASP 84 N -0.93 0.64 0.49 -0.43 3.58 -0.50 0.22 116.42 119.50 2opu h ASP 84 Ca -0.06 0.08 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 2opu h ASP 84 Cb 0.79 -0.04 -0.02 0.00 1.72 0.00 0.00 39.33 41.78 2opu h ASP 84 CO -0.00 0.30 -0.48 -0.78 -2.88 0.00 0.00 179.24 175.40 2opu h ASP 85 N 0.73 -1.30 0.00 2.28 3.58 -1.21 0.69 116.42 121.20 2opu h ASP 85 Ca 0.47 0.10 -0.18 0.00 0.42 0.00 0.00 57.03 57.84 2opu h ASP 85 Cb 0.60 0.43 -0.00 0.00 1.72 0.00 0.00 39.33 42.08 2opu h ASP 85 CO -0.33 -0.64 -0.63 0.40 -2.88 0.00 0.00 179.24 175.16 2opu h ILE 86 N -0.97 1.32 -0.10 2.25 5.03 -1.01 -2.74 117.51 121.29 2opu h ILE 86 Ca -0.06 -1.90 -0.06 0.00 -0.12 0.00 0.00 64.86 62.73 2opu h ILE 86 Cb 0.84 1.87 -0.01 0.00 -3.03 0.00 0.00 36.82 36.49 2opu h ILE 86 CO -0.06 0.59 -0.20 0.58 -0.68 0.00 0.00 178.15 178.38 2opu h VAL 87 N 0.45 1.20 0.00 1.67 2.07 -0.49 -0.92 116.25 120.21 2opu h VAL 87 Ca -0.01 -0.90 -0.12 0.00 0.82 0.00 0.00 66.70 66.49 2opu h VAL 87 Cb 1.21 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 32.31 2opu h VAL 87 CO 0.12 0.27 -0.58 0.28 0.02 0.00 0.00 177.57 177.68 2opu h SER 88 N 0.15 0.00 -0.22 0.57 0.02 -0.69 0.45 113.55 113.83 2opu h SER 88 Ca 0.03 0.00 0.04 0.00 -0.84 0.00 0.00 61.79 61.01 2opu h SER 88 Cb 0.45 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.95 2opu h SER 88 CO 0.03 0.58 -0.00 0.03 -1.14 0.00 0.00 176.83 176.33 2opu h ARG 89 N 0.00 0.07 0.00 3.45 2.47 -0.87 -2.85 114.38 116.65 2opu h ARG 89 Ca -0.01 -0.00 -0.33 0.00 -1.26 0.00 0.00 59.98 58.38 2opu h ARG 89 Cb 1.04 -0.02 -0.05 0.00 -1.65 0.00 0.00 29.97 29.30 2opu h ARG 89 CO 0.08 0.04 -2.08 0.41 0.56 0.00 0.00 179.97 178.98 2opu n GLY 90 N -1.19 -0.48 1.88 0.04 0.00 -1.10 -4.54 105.19 99.80 2opu n GLY 90 Ca -0.02 -0.20 -0.18 0.00 0.00 0.00 0.00 46.02 45.63 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 -4.31 1.88 -3.37 1.61 3.00 0.16 -4.56 116.66 111.07 2opu n ARG 91 Ca -0.43 -1.84 -0.26 0.00 -0.00 0.00 0.00 57.85 55.32 2opu n ARG 91 Cb 0.78 -1.72 -0.08 0.00 0.00 0.00 0.00 32.46 31.43 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 -0.11 3.61 0.00 5.14 0.00 -1.07 -4.69 105.19 108.06 2opu n GLY 92 Ca 0.36 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 44.30 2opu n GLY 92 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93