#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j0f s SER 2 N 0.00 3.61 -0.27 1.61 0.01 -1.26 -5.11 113.70 112.28 1j0f s SER 2 Ca 0.00 -0.58 -0.01 0.00 1.31 0.00 0.00 55.95 56.67 1j0f s SER 2 Cb 0.00 -0.43 0.16 0.00 0.21 0.00 0.00 66.02 65.96 1j0f s SER 2 CO 0.00 0.21 0.47 -0.70 0.41 0.00 0.00 173.24 173.63 1j0f s GLU 3 N -1.82 0.44 0.00 12.44 2.56 -1.26 -5.13 118.70 125.93 1j0f s GLU 3 Ca 0.15 0.61 0.00 0.00 0.00 0.00 0.00 54.97 55.73 1j0f s GLU 3 Cb -0.10 -0.07 0.00 0.00 2.00 0.00 0.00 34.13 35.95 1j0f s GLU 3 CO 0.07 -0.74 0.00 0.41 -0.56 0.00 0.00 175.26 174.44 1j0f n GLY 4 N 5.39 -0.27 3.75 -1.50 0.00 -1.26 -4.93 105.19 106.37 1j0f n GLY 4 Ca -0.01 -1.73 -0.41 0.00 0.00 0.00 0.00 46.02 43.86 1j0f n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j0f s ALA 5 N -2.24 3.45 -1.21 4.61 0.00 -1.26 -4.93 121.76 120.19 1j0f s ALA 5 Ca 0.00 1.00 -0.18 0.00 0.00 0.00 0.00 51.96 52.79 1j0f s ALA 5 Cb 0.00 -3.41 0.10 0.00 0.00 0.00 0.00 23.12 19.81 1j0f s ALA 5 CO 0.00 -0.38 1.57 0.00 0.00 0.00 0.00 175.76 176.94 1j0f s ALA 6 N -0.40 3.43 0.04 0.00 0.00 -1.26 -4.94 121.76 118.62 1j0f s ALA 6 Ca 0.51 -2.94 0.09 0.00 0.00 0.00 0.00 51.96 49.62 1j0f s ALA 6 Cb -0.34 -4.44 -0.03 0.00 0.00 0.00 0.00 23.12 18.31 1j0f s ALA 6 CO 0.40 -3.17 -0.26 0.95 0.00 0.00 0.00 175.76 173.67 1j0f s THR 7 N 3.48 2.16 0.01 0.00 -4.23 -1.26 -5.14 115.64 110.67 1j0f s THR 7 Ca 0.48 -1.36 -0.04 0.00 -1.18 0.00 0.00 61.69 59.59 1j0f s THR 7 Cb 0.01 -1.83 -0.01 0.00 1.34 0.00 0.00 72.50 72.01 1j0f s THR 7 CO 0.02 0.38 0.07 -0.04 -0.54 0.00 0.00 174.62 174.51 1j0f s MET 8 N -1.19 0.43 -0.25 3.99 -1.94 -1.26 -5.16 119.30 113.92 1j0f s MET 8 Ca 0.12 -0.52 -0.26 0.00 -1.71 0.00 0.00 55.69 53.31 1j0f s MET 8 Cb -0.10 0.17 0.12 0.00 2.01 0.00 0.00 34.83 37.03 1j0f s MET 8 CO 0.02 -0.09 1.02 -1.54 -0.01 0.00 0.00 175.02 174.42 1j0f s SER 9 N -1.49 -0.43 -0.35 3.03 1.04 -1.26 -5.04 113.70 109.21 1j0f s SER 9 Ca -0.14 0.73 0.01 0.00 0.48 0.00 0.00 55.95 57.03 1j0f s SER 9 Cb -0.08 0.71 0.15 0.00 0.10 0.00 0.00 66.02 66.90 1j0f s SER 9 CO 0.00 -0.21 0.30 -0.83 0.98 0.00 0.00 173.24 173.49 1j0f s GLY 10 N -0.15 0.24 -0.01 7.32 0.00 -1.26 -4.94 107.32 108.52 1j0f s GLY 10 Ca 0.02 -1.14 -0.30 0.00 0.00 0.00 0.00 44.72 43.29 1j0f s GLY 10 CO -0.04 2.50 1.24 -2.27 0.00 0.00 0.00 173.10 174.53 1j0f s LEU 11 N 1.50 4.31 -0.07 0.66 1.98 -1.26 -1.98 118.68 123.82 1j0f s LEU 11 Ca 0.16 1.93 0.01 0.00 -2.89 0.00 0.00 54.13 53.33 1j0f s LEU 11 Cb -0.17 -3.56 0.02 0.00 0.66 0.00 0.00 46.19 43.13 1j0f s LEU 11 CO -0.08 -0.58 -0.06 -0.13 -1.89 0.00 0.00 176.35 173.61 1j0f s ARG 12 N 1.94 1.12 -0.41 1.98 0.52 0.12 -0.34 118.95 123.89 1j0f s ARG 12 Ca 0.58 -0.17 -0.02 0.00 -0.52 0.00 0.00 55.73 55.60 1j0f s ARG 12 Cb -0.27 -1.12 0.11 0.00 0.52 0.00 0.00 34.95 34.18 1j0f s ARG 12 CO 0.25 -0.12 0.20 0.08 0.02 0.00 0.00 175.30 175.72 1j0f s VAL 13 N 1.16 3.19 -0.76 3.52 1.01 -0.00 -0.37 120.40 128.16 1j0f s VAL 13 Ca -0.07 -2.12 -0.26 0.00 0.00 0.00 0.00 61.98 59.53 1j0f s VAL 13 Cb -0.14 -3.20 0.02 0.00 0.00 0.00 0.00 36.38 33.05 1j0f s VAL 13 CO -0.01 -0.69 1.48 -0.31 0.00 0.00 0.00 175.10 175.57 1j0f s TYR 14 N 1.07 2.14 0.08 5.22 1.51 0.10 -0.08 117.35 127.38 1j0f s TYR 14 Ca 0.09 0.09 0.08 0.00 -1.01 0.00 0.00 57.07 56.31 1j0f s TYR 14 Cb -0.22 -4.47 -0.03 0.00 -0.11 0.00 0.00 41.96 37.12 1j0f s TYR 14 CO -0.05 -2.10 -0.20 -1.12 -1.11 0.00 0.00 175.55 170.98 1j0f s SER 15 N 5.21 2.42 -0.12 2.29 0.01 0.41 -2.20 113.70 121.73 1j0f s SER 15 Ca 0.46 -0.62 -0.13 0.00 1.31 0.00 0.00 55.95 56.97 1j0f s SER 15 Cb -0.08 -0.15 -0.05 0.00 0.21 0.00 0.00 66.02 65.95 1j0f s SER 15 CO 0.12 0.08 0.31 0.28 0.41 0.00 0.00 173.24 174.44 1j0f s THR 16 N -1.03 5.26 -0.07 1.44 -1.32 -1.26 -2.79 115.64 115.87 1j0f s THR 16 Ca 0.06 0.59 -0.11 0.00 -1.21 0.00 0.00 61.69 61.02 1j0f s THR 16 Cb -0.09 -3.63 -0.08 0.00 -1.51 0.00 0.00 72.50 67.19 1j0f s THR 16 CO 0.03 0.45 0.44 0.28 -2.21 0.00 0.00 174.62 173.62 1j0f h SER 17 N 6.04 -0.20 -3.71 8.08 0.02 -1.93 -3.43 113.55 118.43 1j0f h SER 17 Ca -0.45 -0.13 -0.64 0.00 -0.84 0.00 0.00 61.79 59.72 1j0f h SER 17 Cb 1.19 0.05 -0.16 0.00 0.14 0.00 0.00 62.40 63.62 1j0f h SER 17 CO 0.70 0.33 -0.27 -0.69 -1.14 0.00 0.00 176.83 175.77 1j0f s VAL 18 N -2.57 5.17 -0.21 2.27 1.01 -1.26 -5.03 120.40 119.78 1j0f s VAL 18 Ca -0.07 0.31 -0.27 0.00 0.00 0.00 0.00 61.98 61.95 1j0f s VAL 18 Cb 0.00 -3.75 0.08 0.00 0.00 0.00 0.00 36.38 32.70 1j0f s VAL 18 CO 0.22 0.03 0.74 0.28 0.00 0.00 0.00 175.10 176.38 1j0f s THR 19 N 2.05 0.00 -1.14 3.92 -1.32 -1.26 -4.85 115.64 113.04 1j0f s THR 19 Ca 0.13 0.00 -0.03 0.00 -1.21 0.00 0.00 61.69 60.58 1j0f s THR 19 Cb -0.16 -1.00 0.25 0.00 -1.51 0.00 0.00 72.50 70.08 1j0f s THR 19 CO 0.11 0.00 1.99 0.61 -2.21 0.00 0.00 174.62 175.11 1j0f n GLY 20 N 2.09 5.73 2.87 6.08 0.00 -1.26 -4.70 105.19 116.00 1j0f n GLY 20 Ca -0.15 -2.40 -0.04 0.00 0.00 0.00 0.00 46.02 43.43 1j0f n GLY 20 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1j0f s SER 21 N -0.75 -1.27 0.31 1.61 0.15 -1.26 -5.01 113.70 107.48 1j0f s SER 21 Ca 0.43 -1.53 0.04 0.00 0.70 0.00 0.00 55.95 55.60 1j0f s SER 21 Cb 0.17 1.78 0.80 0.00 -1.71 0.00 0.00 66.02 67.06 1j0f s SER 21 CO -0.10 -0.10 1.61 0.03 1.20 0.00 0.00 173.24 175.89 1j0f h ARG 22 N 5.65 0.10 -0.29 5.44 3.08 -2.00 0.31 114.38 126.66 1j0f h ARG 22 Ca 0.07 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.17 1j0f h ARG 22 Cb 1.12 -0.02 -0.08 0.00 0.08 0.00 0.00 29.97 31.07 1j0f h ARG 22 CO 0.06 0.06 -0.36 0.93 -1.07 0.00 0.00 179.97 179.59 1j0f h GLU 23 N 0.10 -0.33 0.21 0.04 3.07 -1.99 0.87 114.58 116.56 1j0f h GLU 23 Ca 0.61 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 59.49 1j0f h GLU 23 Cb 1.30 0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 29.25 1j0f h GLU 23 CO -0.77 -0.22 -0.45 0.82 -1.40 0.00 0.00 179.01 176.99 1j0f h ILE 24 N -0.34 0.00 -0.86 3.13 2.04 -0.75 -1.97 117.51 118.76 1j0f h ILE 24 Ca 0.13 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.07 1j0f h ILE 24 Cb 0.56 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 36.54 1j0f h ILE 24 CO -0.48 0.00 -0.52 0.11 0.00 0.00 0.00 178.15 177.26 1j0f h LYS 25 N -0.72 -0.01 -0.96 2.37 1.57 -0.81 0.38 116.57 118.39 1j0f h LYS 25 Ca -0.02 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.90 1j0f h LYS 25 Cb 0.68 0.00 -0.15 0.00 0.08 0.00 0.00 32.23 32.85 1j0f h LYS 25 CO -0.18 -0.01 -0.41 0.43 -0.57 0.00 0.00 179.45 178.71 1j0f n SER 26 N -4.99 -0.69 -0.28 0.86 7.64 0.25 0.17 113.62 116.58 1j0f n SER 26 Ca 0.02 1.68 0.05 0.00 1.01 0.00 0.00 58.87 61.63 1j0f n SER 26 Cb 0.23 -0.36 0.19 0.00 -1.01 0.00 0.00 64.21 63.27 1j0f n SER 26 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1j0f h GLN 27 N 0.00 0.63 -0.50 1.43 4.20 0.42 1.53 115.11 122.82 1j0f h GLN 27 Ca 0.30 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.88 1j0f h GLN 27 Cb 0.54 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 1j0f h GLN 27 CO -0.94 0.42 -0.07 1.96 -0.67 0.00 0.00 178.83 179.52 1j0f h GLN 28 N 0.65 0.94 -0.31 1.46 4.20 0.35 -0.80 115.11 121.61 1j0f h GLN 28 Ca 0.42 -0.34 -0.12 0.00 0.06 0.00 0.00 58.65 58.68 1j0f h GLN 28 Cb 0.53 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 1j0f h GLN 28 CO -0.32 1.00 -0.28 0.77 -0.67 0.00 0.00 178.83 179.33 1j0f h SER 29 N 0.80 0.78 0.34 1.46 0.02 0.24 -2.65 113.55 114.53 1j0f h SER 29 Ca 0.13 -0.46 -0.02 0.00 -0.84 0.00 0.00 61.79 60.61 1j0f h SER 29 Cb 0.62 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.94 1j0f h SER 29 CO 0.04 1.08 -0.17 -0.33 -1.14 0.00 0.00 176.83 176.30 1j0f h GLU 30 N 0.49 -0.45 -0.99 3.45 4.39 0.22 0.33 114.58 122.03 1j0f h GLU 30 Ca 0.05 0.03 0.12 0.00 0.34 0.00 0.00 59.36 59.91 1j0f h GLU 30 Cb 0.84 0.10 -0.14 0.00 -0.10 0.00 0.00 28.75 29.45 1j0f h GLU 30 CO 0.07 -0.30 -0.47 0.28 -1.16 0.00 0.00 179.01 177.43 1j0f n VAL 31 N -3.29 -0.59 -0.27 3.13 0.31 -0.32 0.15 118.33 117.45 1j0f n VAL 31 Ca -0.06 2.35 0.02 0.00 -0.01 0.00 0.00 64.34 66.64 1j0f n VAL 31 Cb 0.19 -3.02 0.15 0.00 -0.91 0.00 0.00 33.84 30.25 1j0f n VAL 31 CO 0.00 0.00 0.00 0.71 -1.32 0.00 0.00 176.83 176.22 1j0f h THR 32 N 0.00 0.90 0.05 2.52 1.35 -1.40 0.17 112.91 116.50 1j0f h THR 32 Ca 0.26 -0.25 0.02 0.00 -0.55 0.00 0.00 66.41 65.90 1j0f h THR 32 Cb 0.51 0.12 -0.04 0.00 -1.73 0.00 0.00 68.15 67.01 1j0f h THR 32 CO -0.96 0.13 -0.23 -0.09 -0.25 0.00 0.00 175.52 174.12 1j0f h ARG 33 N 0.72 -0.38 0.13 4.72 2.43 0.54 0.87 114.38 123.41 1j0f h ARG 33 Ca 0.37 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.57 1j0f h ARG 33 Cb 0.34 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 1j0f h ARG 33 CO -0.25 -0.25 -0.10 0.82 -1.51 0.00 0.00 179.97 178.68 1j0f h ILE 34 N -0.40 0.77 -1.00 1.20 2.04 0.02 0.39 117.51 120.55 1j0f h ILE 34 Ca 0.05 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.04 1j0f h ILE 34 Cb 0.45 0.77 -0.09 0.00 -0.74 0.00 0.00 36.82 37.21 1j0f h ILE 34 CO -0.18 0.00 0.63 -0.07 0.00 0.00 0.00 178.15 178.53 1j0f h LEU 35 N -0.24 0.88 -0.27 1.44 3.38 -0.28 1.26 115.31 121.48 1j0f h LEU 35 Ca -0.00 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1j0f h LEU 35 Cb 0.22 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1j0f h LEU 35 CO -0.01 0.44 -0.01 -0.78 0.09 0.00 0.00 178.44 178.17 1j0f h ASP 36 N 0.93 0.47 -0.62 -0.43 3.58 0.16 0.10 116.42 120.62 1j0f h ASP 36 Ca 0.51 -0.32 -0.09 0.00 0.42 0.00 0.00 57.03 57.55 1j0f h ASP 36 Cb 0.58 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.48 1j0f h ASP 36 CO -0.28 0.67 0.02 1.23 -2.88 0.00 0.00 179.24 178.00 1j0f h GLY 37 N 0.25 1.17 1.86 -0.78 0.00 0.17 -1.44 103.07 104.31 1j0f h GLY 37 Ca 0.07 -0.84 0.00 0.00 0.00 0.00 0.00 47.33 46.56 1j0f h GLY 37 CO 0.02 0.78 0.00 0.28 0.00 0.00 0.00 176.54 177.61 1j0f n LYS 38 N -4.18 0.07 -2.58 4.80 4.76 0.41 -4.84 118.16 116.60 1j0f n LYS 38 Ca 0.03 0.20 -0.18 0.00 -2.87 0.00 0.00 58.31 55.49 1j0f n LYS 38 Cb 0.34 -1.50 0.01 0.00 -1.84 0.00 0.00 35.03 32.04 1j0f n LYS 38 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1j0f n ARG 39 N -1.43 -2.61 -3.07 1.97 1.74 -0.54 -4.97 116.66 107.74 1j0f n ARG 39 Ca 0.05 0.82 -0.34 0.00 -0.77 0.00 0.00 57.85 57.61 1j0f n ARG 39 Cb 0.17 -5.35 -0.06 0.00 -1.02 0.00 0.00 32.46 26.20 1j0f n ARG 39 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1j0f s ILE 40 N -2.97 4.59 -0.24 0.55 1.01 0.25 -5.03 121.20 119.36 1j0f s ILE 40 Ca 0.11 1.16 -0.11 0.00 0.00 0.00 0.00 60.65 61.81 1j0f s ILE 40 Cb -0.05 -3.71 -0.05 0.00 0.01 0.00 0.00 42.46 38.66 1j0f s ILE 40 CO 0.14 -0.06 0.19 -1.58 0.00 0.00 0.00 174.94 173.63 1j0f s GLN 41 N -2.64 4.07 0.18 2.79 0.74 -1.26 -4.69 119.66 118.84 1j0f s GLN 41 Ca 0.51 -0.22 -0.01 0.00 0.05 0.00 0.00 55.36 55.69 1j0f s GLN 41 Cb -0.13 -3.55 0.00 0.00 1.10 0.00 0.00 33.01 30.44 1j0f s GLN 41 CO 0.18 0.02 0.25 2.48 -0.55 0.00 0.00 175.29 177.67 1j0f n TYR 42 N 4.40 -0.96 -3.74 1.67 0.18 -1.26 -4.32 117.16 113.12 1j0f n TYR 42 Ca -0.14 -1.17 -0.23 0.00 1.88 0.00 0.00 57.90 58.24 1j0f n TYR 42 Cb 0.52 0.28 -0.17 0.00 -0.38 0.00 0.00 39.34 39.59 1j0f n TYR 42 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1j0f s GLN 43 N -2.39 0.48 -0.30 -3.48 0.74 0.54 -4.97 119.66 110.29 1j0f s GLN 43 Ca 0.14 0.06 -0.29 0.00 0.05 0.00 0.00 55.36 55.32 1j0f s GLN 43 Cb -0.01 -1.13 -0.01 0.00 1.10 0.00 0.00 33.01 32.97 1j0f s GLN 43 CO 0.10 -0.38 1.46 -1.17 -0.55 0.00 0.00 175.29 174.75 1j0f s LEU 44 N 2.00 3.81 -0.36 3.68 2.96 -1.26 -0.82 118.68 128.68 1j0f s LEU 44 Ca 0.04 1.28 -0.16 0.00 -0.22 0.00 0.00 54.13 55.07 1j0f s LEU 44 Cb -0.13 -3.54 -0.00 0.00 0.50 0.00 0.00 46.19 43.02 1j0f s LEU 44 CO -0.06 -1.24 0.37 -0.69 -1.32 0.00 0.00 176.35 173.41 1j0f s VAL 45 N 5.00 5.16 -0.24 1.68 1.01 0.88 -4.92 120.40 128.97 1j0f s VAL 45 Ca 0.64 -0.07 -0.25 0.00 0.00 0.00 0.00 61.98 62.30 1j0f s VAL 45 Cb -0.19 -3.87 -0.00 0.00 0.00 0.00 0.00 36.38 32.32 1j0f s VAL 45 CO 0.28 -0.17 0.85 -0.62 0.00 0.00 0.00 175.10 175.44 1j0f s ASP 46 N 1.75 6.87 -0.00 3.32 -1.08 -1.25 -0.45 116.67 125.83 1j0f s ASP 46 Ca 0.11 1.08 0.21 0.00 -0.52 0.00 0.00 52.55 53.43 1j0f s ASP 46 Cb -0.17 -2.45 -0.23 0.00 -1.46 0.00 0.00 42.92 38.61 1j0f s ASP 46 CO 0.12 -0.53 0.56 2.30 0.52 0.00 0.00 175.17 178.15 1j0f n ILE 47 N 5.23 0.52 0.26 4.11 -5.35 -1.12 -3.97 119.36 119.04 1j0f n ILE 47 Ca 0.06 -0.60 0.05 0.00 -0.27 0.00 0.00 62.75 61.99 1j0f n ILE 47 Cb 0.47 -0.25 0.20 0.00 -1.74 0.00 0.00 39.64 38.33 1j0f n ILE 47 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1j0f n SER 48 N -2.51 0.07 0.06 7.28 2.88 -1.26 -2.65 113.62 117.48 1j0f n SER 48 Ca -0.09 0.52 -0.05 0.00 -1.33 0.00 0.00 58.87 57.92 1j0f n SER 48 Cb 0.71 -0.53 -0.03 0.00 -0.75 0.00 0.00 64.21 63.60 1j0f n SER 48 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1j0f h GLN 49 N 0.00 -0.24 -6.32 -1.46 1.08 -1.95 -3.47 115.11 102.74 1j0f h GLN 49 Ca 0.00 0.02 -0.62 0.00 -1.45 0.00 0.00 58.65 56.60 1j0f h GLN 49 Cb 0.14 0.05 -0.16 0.00 -0.05 0.00 0.00 27.48 27.46 1j0f h GLN 49 CO 0.00 -0.09 -0.78 0.34 -0.95 0.00 0.00 178.83 177.34 1j0f s ASP 50 N -5.31 3.44 0.03 1.46 -1.08 -1.09 -5.05 116.67 109.09 1j0f s ASP 50 Ca -0.05 -0.96 -0.16 0.00 -0.52 0.00 0.00 52.55 50.86 1j0f s ASP 50 Cb 0.00 -0.27 -0.32 0.00 -1.46 0.00 0.00 42.92 40.87 1j0f s ASP 50 CO 0.17 0.06 1.04 -1.13 0.52 0.00 0.00 175.17 175.82 1j0f h ASN 51 N 2.69 0.83 -0.54 -0.34 -0.73 -1.92 -3.16 115.58 112.41 1j0f h ASN 51 Ca -0.42 -0.88 0.16 0.00 1.87 0.00 0.00 56.30 57.03 1j0f h ASN 51 Cb 1.24 -0.26 -0.02 0.00 0.27 0.00 0.00 38.32 39.54 1j0f h ASN 51 CO 0.55 1.63 0.51 0.00 -0.37 0.00 0.00 177.43 179.75 1j0f h ALA 52 N 0.21 2.33 -0.53 1.57 0.00 -1.96 -2.23 119.26 118.63 1j0f h ALA 52 Ca -0.21 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1j0f h ALA 52 Cb 2.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.83 1j0f h ALA 52 CO 0.25 -0.79 0.00 1.28 0.00 0.00 0.00 179.25 179.99 1j0f n LEU 53 N -3.86 0.00 -0.36 0.00 7.99 -1.19 -0.10 117.00 119.48 1j0f n LEU 53 Ca 0.10 0.91 -0.06 0.00 -0.01 0.00 0.00 56.01 56.95 1j0f n LEU 53 Cb 0.72 -0.41 -0.04 0.00 -0.11 0.00 0.00 43.42 43.58 1j0f n LEU 53 CO 0.30 -0.41 0.46 -1.14 -1.51 0.00 0.00 177.39 175.09 1j0f n ARG 54 N -1.74 -0.32 -0.12 3.23 0.63 -0.86 0.13 116.66 117.60 1j0f n ARG 54 Ca 0.00 1.33 -0.05 0.00 -0.92 0.00 0.00 57.85 58.21 1j0f n ARG 54 Cb 0.00 -1.96 0.02 0.00 0.45 0.00 0.00 32.46 30.96 1j0f n ARG 54 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 1j0f h ASP 55 N 0.00 -0.44 -0.46 6.15 1.82 -1.49 0.37 116.42 122.36 1j0f h ASP 55 Ca 0.20 0.13 0.09 0.00 -0.39 0.00 0.00 57.03 57.06 1j0f h ASP 55 Cb 0.42 0.28 -0.10 0.00 0.68 0.00 0.00 39.33 40.61 1j0f h ASP 55 CO -0.84 -0.16 -0.34 -0.08 -1.61 0.00 0.00 179.24 176.21 1j0f h GLU 56 N -0.03 -0.23 -0.18 0.28 4.57 0.46 0.29 114.58 119.74 1j0f h GLU 56 Ca 0.20 0.02 0.04 0.00 -1.18 0.00 0.00 59.36 58.43 1j0f h GLU 56 Cb 0.33 0.05 -0.03 0.00 -0.16 0.00 0.00 28.75 28.94 1j0f h GLU 56 CO -0.44 -0.15 -0.04 1.98 -1.18 0.00 0.00 179.01 179.18 1j0f h MET 57 N -0.24 0.00 -0.03 1.92 4.05 0.11 -0.72 114.93 120.02 1j0f h MET 57 Ca 0.18 -0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.64 1j0f h MET 57 Cb 0.55 -0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 31.29 1j0f h MET 57 CO -0.59 0.00 -0.33 0.00 0.23 0.00 0.00 176.91 176.22 1j0f h ARG 58 N 0.00 -0.45 -0.41 0.39 3.08 0.44 1.07 114.38 118.50 1j0f h ARG 58 Ca 0.09 0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.25 1j0f h ARG 58 Cb 0.13 0.10 -0.08 0.00 0.08 0.00 0.00 29.97 30.20 1j0f h ARG 58 CO -0.18 -0.30 -0.13 1.15 -1.07 0.00 0.00 179.97 179.44 1j0f h THR 59 N -0.47 0.53 0.04 2.04 2.02 -0.18 1.05 112.91 117.95 1j0f h THR 59 Ca 0.07 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.25 1j0f h THR 59 Cb 0.57 0.53 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1j0f h THR 59 CO -0.29 0.00 -0.02 -0.07 0.37 0.00 0.00 175.52 175.51 1j0f h LEU 60 N -0.04 -0.05 -0.31 2.58 3.38 -0.38 -2.75 115.31 117.74 1j0f h LEU 60 Ca 0.20 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.18 1j0f h LEU 60 Cb 0.34 0.01 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 1j0f h LEU 60 CO -0.44 0.02 -0.03 0.00 0.09 0.00 0.00 178.44 178.07 1j0f h ALA 61 N 0.86 0.25 0.00 1.53 0.00 0.22 -3.44 119.26 118.68 1j0f h ALA 61 Ca -0.01 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1j0f h ALA 61 Cb 0.09 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1j0f h ALA 61 CO 0.01 -0.43 0.00 0.41 0.00 0.00 0.00 179.25 179.24 1j0f n GLY 62 N -1.25 1.89 3.61 0.00 0.00 0.35 -4.98 105.19 104.82 1j0f n GLY 62 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 1j0f n GLY 62 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1j0f s ASN 63 N -2.00 -0.73 0.27 1.61 2.47 -0.63 -5.02 114.94 110.91 1j0f s ASN 63 Ca 0.00 1.13 0.13 0.00 0.42 0.00 0.00 52.86 54.54 1j0f s ASN 63 Cb 0.00 1.44 0.30 0.00 -1.45 0.00 0.00 41.25 41.54 1j0f s ASN 63 CO 0.00 -0.17 1.56 1.55 -3.72 0.00 0.00 177.10 176.31 1j0f h PRO 64 N 6.76 0.00 -1.58 0.43 0.13 -1.96 -3.15 132.00 132.63 1j0f h PRO 64 Ca -0.26 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.52 1j0f h PRO 64 Cb 1.19 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.17 1j0f h PRO 64 CO 0.16 0.60 0.41 1.63 -0.23 0.00 0.00 178.00 180.57 1j0f n LYS 65 N -3.54 1.89 -3.29 0.86 4.76 -1.26 -4.90 118.16 112.67 1j0f n LYS 65 Ca -0.00 -1.67 -0.18 0.00 -2.87 0.00 0.00 58.31 53.59 1j0f n LYS 65 Cb 0.67 -1.69 -0.00 0.00 -1.84 0.00 0.00 35.03 32.17 1j0f n LYS 65 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1j0f s ALA 66 N -1.80 4.33 0.10 7.82 0.00 -1.19 -5.13 121.76 125.89 1j0f s ALA 66 Ca 0.35 -1.60 -0.13 0.00 0.00 0.00 0.00 51.96 50.58 1j0f s ALA 66 Cb 0.26 -1.57 0.02 0.00 0.00 0.00 0.00 23.12 21.83 1j0f s ALA 66 CO -0.03 -0.16 0.31 0.95 0.00 0.00 0.00 175.76 176.83 1j0f s THR 67 N -2.29 0.10 0.84 0.00 -4.23 -1.26 -4.99 115.64 103.82 1j0f s THR 67 Ca 0.49 -0.83 -0.12 0.00 -1.18 0.00 0.00 61.69 60.05 1j0f s THR 67 Cb -0.09 -1.22 0.10 0.00 1.34 0.00 0.00 72.50 72.63 1j0f s THR 67 CO 0.31 -0.46 1.11 -2.16 -0.54 0.00 0.00 174.62 172.89 1j0f s PRO 68 N -3.73 1.70 1.03 3.99 0.04 -1.26 -4.64 135.00 132.13 1j0f s PRO 68 Ca 0.03 0.49 -0.16 0.00 0.04 0.00 0.00 61.00 61.40 1j0f s PRO 68 Cb 0.03 -1.89 0.21 0.00 0.04 0.00 0.00 34.50 32.89 1j0f s PRO 68 CO -0.11 -1.85 1.19 -1.25 0.04 0.00 0.00 177.00 175.02 1j0f s PRO 69 N -5.21 0.15 -0.15 0.56 0.04 -1.26 -4.88 135.00 124.25 1j0f s PRO 69 Ca 0.62 -0.08 -0.06 0.00 0.04 0.00 0.00 61.00 61.52 1j0f s PRO 69 Cb -0.14 -1.76 0.07 0.00 0.04 0.00 0.00 34.50 32.71 1j0f s PRO 69 CO 0.54 -2.79 0.32 -1.14 0.04 0.00 0.00 177.00 173.97 1j0f s GLN 70 N -5.54 0.22 -0.08 4.56 2.00 -0.93 -4.12 119.66 115.76 1j0f s GLN 70 Ca 0.70 0.85 -0.13 0.00 -2.00 0.00 0.00 55.36 54.78 1j0f s GLN 70 Cb -0.09 0.10 -0.05 0.00 0.80 0.00 0.00 33.01 33.77 1j0f s GLN 70 CO 0.54 -0.27 0.31 0.42 -0.50 0.00 0.00 175.29 175.79 1j0f s ILE 71 N 2.44 5.24 -0.05 -2.34 1.01 -1.17 0.02 121.20 126.35 1j0f s ILE 71 Ca -0.00 0.60 -0.03 0.00 0.00 0.00 0.00 60.65 61.21 1j0f s ILE 71 Cb -0.12 -3.61 0.03 0.00 0.01 0.00 0.00 42.46 38.77 1j0f s ILE 71 CO -0.10 0.52 0.12 -0.69 0.00 0.00 0.00 174.94 174.80 1j0f s VAL 72 N -0.54 -0.04 -0.30 2.92 1.01 0.51 -1.68 120.40 122.28 1j0f s VAL 72 Ca 0.19 0.14 0.03 0.00 0.00 0.00 0.00 61.98 62.34 1j0f s VAL 72 Cb -0.14 -0.20 0.08 0.00 0.00 0.00 0.00 36.38 36.11 1j0f s VAL 72 CO 0.08 0.06 -0.02 0.21 0.00 0.00 0.00 175.10 175.43 1j0f s ASN 73 N 0.86 4.51 -1.35 3.32 3.84 -0.29 0.16 114.94 125.99 1j0f s ASN 73 Ca -0.07 -1.74 -0.07 0.00 0.21 0.00 0.00 52.86 51.20 1j0f s ASN 73 Cb -0.09 -1.51 0.02 0.00 -0.55 0.00 0.00 41.25 39.13 1j0f s ASN 73 CO -0.04 -0.30 1.02 0.61 -2.79 0.00 0.00 177.10 175.60 1j0f n GLY 74 N 4.40 -0.45 2.16 1.21 0.00 -0.84 -1.21 105.19 110.45 1j0f n GLY 74 Ca -0.05 0.19 -0.08 0.00 0.00 0.00 0.00 46.02 46.08 1j0f n GLY 74 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1j0f n ASN 75 N -3.01 -2.92 -4.10 1.61 2.85 -1.26 -5.00 115.26 103.42 1j0f n ASN 75 Ca -0.10 -0.00 -0.34 0.00 -0.11 0.00 0.00 54.58 54.02 1j0f n ASN 75 Cb 0.60 -2.21 -0.14 0.00 1.24 0.00 0.00 39.78 39.27 1j0f n ASN 75 CO 0.00 0.00 0.00 -1.00 -2.11 0.00 0.00 177.26 174.15 1j0f s HIS 76 N -2.40 3.48 -0.41 1.20 3.76 -0.35 -5.05 115.29 115.51 1j0f s HIS 76 Ca 0.00 -2.38 -0.27 0.00 -0.15 0.00 0.00 55.06 52.26 1j0f s HIS 76 Cb 0.00 -2.57 -0.05 0.00 1.11 0.00 0.00 32.58 31.07 1j0f s HIS 76 CO 0.00 -0.90 2.20 -0.47 -0.85 0.00 0.00 174.74 174.72 1j0f s TYR 77 N 1.11 1.28 -0.02 1.40 5.04 -1.26 -1.13 117.35 123.76 1j0f s TYR 77 Ca 0.02 1.03 -0.15 0.00 -2.44 0.00 0.00 57.07 55.53 1j0f s TYR 77 Cb -0.20 -3.83 -0.08 0.00 0.35 0.00 0.00 41.96 38.20 1j0f s TYR 77 CO -0.04 -3.02 0.70 0.00 -1.34 0.00 0.00 175.55 171.85 1j0f n GLY 79 N 0.21 -0.87 4.00 0.00 0.00 -1.25 -4.99 105.19 102.29 1j0f n GLY 79 Ca -0.07 -1.03 -0.18 0.00 0.00 0.00 0.00 46.02 44.74 1j0f n GLY 79 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1j0f s ASP 80 N -4.00 5.47 0.35 1.61 -4.77 -1.26 -3.04 116.67 111.03 1j0f s ASP 80 Ca 0.00 -0.55 0.16 0.00 -3.30 0.00 0.00 52.55 48.86 1j0f s ASP 80 Cb 0.00 -0.45 1.11 0.00 -1.09 0.00 0.00 42.92 42.49 1j0f s ASP 80 CO 0.00 -0.86 1.67 0.22 0.70 0.00 0.00 175.17 176.90 1j0f h TYR 81 N 0.60 0.88 0.33 2.11 5.03 -1.91 -0.58 116.97 123.42 1j0f h TYR 81 Ca -0.38 0.03 -0.01 0.00 2.58 0.00 0.00 58.73 60.95 1j0f h TYR 81 Cb 1.28 -0.23 -0.01 0.00 1.55 0.00 0.00 36.73 39.32 1j0f h TYR 81 CO 0.43 -0.15 -0.30 0.93 -1.32 0.00 0.00 178.16 177.76 1j0f h GLU 82 N 0.32 -0.60 -0.70 1.82 5.08 -1.95 0.42 114.58 118.97 1j0f h GLU 82 Ca 0.73 0.04 0.15 0.00 -1.00 0.00 0.00 59.36 59.28 1j0f h GLU 82 Cb 1.73 0.14 -0.13 0.00 0.50 0.00 0.00 28.75 30.98 1j0f h GLU 82 CO -0.55 -0.40 -0.10 -0.07 -1.00 0.00 0.00 179.01 176.89 1j0f h LEU 83 N -0.62 -0.51 -0.29 1.33 4.07 -1.52 0.23 115.31 118.00 1j0f h LEU 83 Ca -0.04 0.20 0.07 0.00 0.08 0.00 0.00 57.88 58.18 1j0f h LEU 83 Cb 0.53 0.39 -0.08 0.00 1.08 0.00 0.00 40.66 42.58 1j0f h LEU 83 CO -0.02 -0.20 -0.25 0.15 -1.08 0.00 0.00 178.44 177.04 1j0f h PHE 84 N 0.04 -0.67 -0.42 1.13 3.57 -0.89 0.66 116.94 120.36 1j0f h PHE 84 Ca 0.36 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.93 1j0f h PHE 84 Cb 0.58 0.34 -0.03 0.00 2.79 0.00 0.00 35.95 39.63 1j0f h PHE 84 CO -0.49 -0.33 0.21 -0.24 -2.23 0.00 0.00 178.31 175.23 1j0f h VAL 85 N -0.24 0.98 -0.63 1.41 3.04 0.14 1.17 116.25 122.13 1j0f h VAL 85 Ca 0.15 -0.15 0.13 0.00 -1.01 0.00 0.00 66.70 65.82 1j0f h VAL 85 Cb 0.47 0.52 -0.09 0.00 -2.01 0.00 0.00 31.29 30.17 1j0f h VAL 85 CO -0.43 0.08 0.11 -0.33 -1.01 0.00 0.00 177.57 175.99 1j0f h GLU 86 N 0.43 0.23 0.20 4.17 5.08 0.67 0.57 114.58 125.93 1j0f h GLU 86 Ca 0.18 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 1j0f h GLU 86 Cb 0.08 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1j0f h GLU 86 CO -0.12 0.15 -0.10 0.00 -1.00 0.00 0.00 179.01 177.94 1j0f h ALA 87 N 1.52 -0.27 -0.87 3.43 0.00 -0.14 -1.14 119.26 121.79 1j0f h ALA 87 Ca 0.34 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.17 1j0f h ALA 87 Cb 0.53 0.11 -0.12 0.00 0.00 0.00 0.00 17.79 18.31 1j0f h ALA 87 CO -0.45 -0.30 -0.55 0.28 0.00 0.00 0.00 179.25 178.24 1j0f h VAL 88 N -0.98 0.01 -0.28 0.00 2.07 0.18 0.90 116.25 118.14 1j0f h VAL 88 Ca -0.03 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.51 1j0f h VAL 88 Cb 0.44 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 1j0f h VAL 88 CO 0.05 0.00 0.13 -0.33 0.02 0.00 0.00 177.57 177.43 1j0f h GLU 89 N -0.09 0.27 0.00 1.57 5.08 0.03 0.58 114.58 122.02 1j0f h GLU 89 Ca 0.17 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.52 1j0f h GLU 89 Cb 0.48 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1j0f h GLU 89 CO -0.87 0.18 0.05 1.96 -1.00 0.00 0.00 179.01 179.33 1j0f h GLN 90 N 0.27 0.00 -0.23 2.33 1.08 0.87 -3.44 115.11 115.99 1j0f h GLN 90 Ca 0.12 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.26 1j0f h GLN 90 Cb 0.05 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.46 1j0f h GLN 90 CO -0.09 0.00 -0.06 -3.47 -0.95 0.00 0.00 178.83 174.25 1j0f n ASP 91 N -2.58 -2.88 -2.37 1.46 2.03 0.27 -4.93 116.55 107.55 1j0f n ASP 91 Ca -0.02 0.05 -0.17 0.00 0.52 0.00 0.00 54.79 55.17 1j0f n ASP 91 Cb 0.10 -1.13 0.02 0.00 -0.72 0.00 0.00 41.12 39.39 1j0f n ASP 91 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1j0f n THR 92 N -3.23 2.03 0.26 5.18 -2.24 -0.27 -4.78 114.28 111.23 1j0f n THR 92 Ca -0.03 -3.91 0.14 0.00 -2.27 0.00 0.00 64.05 57.98 1j0f n THR 92 Cb 0.23 -0.37 0.70 0.00 -2.10 0.00 0.00 70.33 68.79 1j0f n THR 92 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1j0f h LEU 93 N 2.44 0.00 -0.48 3.22 5.85 -1.84 -2.03 115.31 122.47 1j0f h LEU 93 Ca 0.18 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.73 1j0f h LEU 93 Cb 1.32 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.35 1j0f h LEU 93 CO 0.60 0.11 -0.60 1.56 -0.34 0.00 0.00 178.44 179.78 1j0f h GLN 94 N 0.00 0.52 0.02 1.25 4.20 -1.93 -2.84 115.11 116.33 1j0f h GLN 94 Ca -0.00 -0.35 -0.00 0.00 0.06 0.00 0.00 58.65 58.35 1j0f h GLN 94 Cb 0.45 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.28 1j0f h GLN 94 CO 0.01 0.97 -0.01 1.49 -0.67 0.00 0.00 178.83 180.62 1j0f h GLU 95 N 0.39 -0.03 -0.28 1.46 4.57 -1.74 -2.97 114.58 115.98 1j0f h GLU 95 Ca -0.00 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.24 1j0f h GLU 95 Cb 1.15 0.01 -0.08 0.00 -0.16 0.00 0.00 28.75 29.67 1j0f h GLU 95 CO 0.11 0.46 -0.43 0.35 -1.18 0.00 0.00 179.01 178.32 1j0f h PHE 96 N -0.52 -1.23 -0.03 0.92 3.57 -1.48 -3.41 116.94 114.75 1j0f h PHE 96 Ca -0.00 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1j0f h PHE 96 Cb 0.50 0.58 0.00 0.00 2.79 0.00 0.00 35.95 39.82 1j0f h PHE 96 CO 0.09 -0.46 0.00 1.28 -2.23 0.00 0.00 178.31 177.00 1j0f n LEU 97 N -5.42 0.00 -2.23 0.59 4.77 -1.07 -4.93 117.00 108.71 1j0f n LEU 97 Ca -0.02 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.72 1j0f n LEU 97 Cb 0.35 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.46 1j0f n LEU 97 CO 0.08 -0.07 0.17 0.29 -1.33 0.00 0.00 177.39 176.53 1j0f n LYS 98 N 0.00 3.41 -0.11 3.23 4.01 -1.26 -4.73 118.16 122.71 1j0f n LYS 98 Ca 0.00 -4.23 -0.22 0.00 -0.51 0.00 0.00 58.31 53.35 1j0f n LYS 98 Cb 0.00 -2.21 -0.11 0.00 -0.51 0.00 0.00 35.03 32.20 1j0f n LYS 98 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1j0f n LEU 99 N -0.61 1.87 0.00 -0.35 4.32 -1.17 -5.11 117.00 115.96 1j0f n LEU 99 Ca 0.40 0.42 0.00 0.00 -0.02 0.00 0.00 56.01 56.81 1j0f n LEU 99 Cb 0.85 -0.94 0.00 0.00 -1.62 0.00 0.00 43.42 41.72 1j0f n LEU 99 CO 0.36 0.28 0.00 0.00 -1.22 0.00 0.00 177.39 176.81