#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 -0.06 -0.27 1.61 0.15 -1.26 -5.14 113.70 108.73 1j0f s SER 2 Ca 0.00 0.15 -0.28 0.00 0.70 0.00 0.00 55.95 56.52 1j0f s SER 2 Cb 0.00 1.32 0.18 0.00 -1.71 0.00 0.00 66.02 65.81 1j0f s SER 2 CO 0.00 -0.31 1.30 -0.70 1.20 0.00 0.00 173.24 174.73 1j0f s GLU 3 N 2.61 0.17 0.00 5.44 2.56 -1.26 -5.17 118.70 123.06 1j0f s GLU 3 Ca 0.13 0.08 0.00 0.00 0.00 0.00 0.00 54.97 55.18 1j0f s GLU 3 Cb -0.14 0.08 0.00 0.00 2.00 0.00 0.00 34.13 36.07 1j0f s GLU 3 CO -0.21 -0.05 0.00 0.41 -0.56 0.00 0.00 175.26 174.85 1j0f n GLY 4 N 0.88 2.97 3.87 -1.50 0.00 -1.26 -5.16 105.19 105.00 1j0f n GLY 4 Ca -0.05 0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 3.13 -0.45 4.61 0.00 -1.26 -5.05 121.76 122.75 1j0f s ALA 5 Ca 0.00 -0.09 0.02 0.00 0.00 0.00 0.00 51.96 51.89 1j0f s ALA 5 Cb 0.00 -3.03 0.20 0.00 0.00 0.00 0.00 23.12 20.29 1j0f s ALA 5 CO 0.00 -0.56 0.84 0.00 0.00 0.00 0.00 175.76 176.04 1j0f s ALA 6 N -3.02 -2.94 -1.01 0.00 0.00 -1.26 -5.04 121.76 108.49 1j0f s ALA 6 Ca 0.55 0.03 -0.01 0.00 0.00 0.00 0.00 51.96 52.53 1j0f s ALA 6 Cb -0.11 -2.81 0.32 0.00 0.00 0.00 0.00 23.12 20.52 1j0f s ALA 6 CO 0.49 -2.33 1.83 2.41 0.00 0.00 0.00 175.76 178.16 1j0f n THR 7 N 3.06 5.84 -1.79 0.00 -1.04 -1.26 -5.01 114.28 114.08 1j0f n THR 7 Ca 0.15 -5.82 -0.42 0.00 -2.04 0.00 0.00 64.05 55.91 1j0f n THR 7 Cb 0.59 -1.52 -0.03 0.00 -1.82 0.00 0.00 70.33 67.55 1j0f n THR 7 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1j0f s MET 8 N -4.30 4.16 -0.29 -2.82 -1.94 -1.26 -4.97 119.30 107.88 1j0f s MET 8 Ca 0.40 2.51 -0.20 0.00 -1.71 0.00 0.00 55.69 56.69 1j0f s MET 8 Cb 0.22 -3.43 0.13 0.00 2.01 0.00 0.00 34.83 33.75 1j0f s MET 8 CO -0.16 -0.77 0.98 -1.54 -0.01 0.00 0.00 175.02 173.52 1j0f s SER 9 N 2.14 -0.51 -1.38 3.03 1.04 -1.26 -5.00 113.70 111.75 1j0f s SER 9 Ca 0.77 0.89 -0.15 0.00 0.48 0.00 0.00 55.95 57.93 1j0f s SER 9 Cb -0.45 1.07 0.06 0.00 0.10 0.00 0.00 66.02 66.80 1j0f s SER 9 CO 0.34 -0.15 1.99 0.61 0.98 0.00 0.00 173.24 177.02 1j0f n GLY 10 N 3.07 3.67 3.71 7.32 0.00 -1.26 -4.85 105.19 116.85 1j0f n GLY 10 Ca -0.16 -1.58 -0.42 0.00 0.00 0.00 0.00 46.02 43.86 1j0f n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1j0f s LEU 11 N 2.87 4.36 -0.05 0.99 1.98 -1.26 -2.10 118.68 125.47 1j0f s LEU 11 Ca 0.49 1.96 0.01 0.00 -2.89 0.00 0.00 54.13 53.71 1j0f s LEU 11 Cb 0.09 -3.58 0.02 0.00 0.66 0.00 0.00 46.19 43.39 1j0f s LEU 11 CO -0.01 -0.46 -0.06 -0.13 -1.89 0.00 0.00 176.35 173.79 1j0f s ARG 12 N 1.19 1.08 -0.45 1.98 0.52 0.14 0.31 118.95 123.71 1j0f s ARG 12 Ca 0.58 -0.19 -0.04 0.00 -0.52 0.00 0.00 55.73 55.56 1j0f s ARG 12 Cb -0.28 -1.02 0.12 0.00 0.52 0.00 0.00 34.95 34.29 1j0f s ARG 12 CO 0.28 -0.06 0.26 0.08 0.02 0.00 0.00 175.30 175.88 1j0f s VAL 13 N 0.90 3.48 -0.66 3.52 1.01 0.51 -0.54 120.40 128.62 1j0f s VAL 13 Ca -0.11 -2.15 -0.26 0.00 0.00 0.00 0.00 61.98 59.45 1j0f s VAL 13 Cb -0.15 -3.36 -0.01 0.00 0.00 0.00 0.00 36.38 32.86 1j0f s VAL 13 CO 0.01 -0.73 1.77 -0.31 0.00 0.00 0.00 175.10 175.83 1j0f s TYR 14 N 0.99 1.78 0.32 5.22 1.51 0.66 -1.07 117.35 126.76 1j0f s TYR 14 Ca 0.09 0.61 0.10 0.00 -1.01 0.00 0.00 57.07 56.87 1j0f s TYR 14 Cb -0.23 -4.18 -0.06 0.00 -0.11 0.00 0.00 41.96 37.38 1j0f s TYR 14 CO -0.04 -2.22 -0.13 -1.54 -1.11 0.00 0.00 175.55 170.51 1j0f s SER 15 N 7.35 3.60 0.18 2.29 1.04 0.36 -2.70 113.70 125.82 1j0f s SER 15 Ca 0.62 -1.14 0.09 0.00 0.48 0.00 0.00 55.95 56.00 1j0f s SER 15 Cb -0.11 -0.32 -0.04 0.00 0.10 0.00 0.00 66.02 65.65 1j0f s SER 15 CO 0.18 -0.13 -0.18 0.28 0.98 0.00 0.00 173.24 174.36 1j0f s THR 16 N -2.61 1.88 -0.23 2.02 -1.32 -1.26 -1.41 115.64 112.70 1j0f s THR 16 Ca 0.31 -2.03 0.05 0.00 -1.21 0.00 0.00 61.69 58.81 1j0f s THR 16 Cb 0.00 -1.94 -0.19 0.00 -1.51 0.00 0.00 72.50 68.86 1j0f s THR 16 CO 0.15 -0.38 -0.12 -1.20 -2.21 0.00 0.00 174.62 170.87 1j0f n SER 17 N 0.06 1.60 -4.52 8.08 7.64 -1.26 -4.93 113.62 120.30 1j0f n SER 17 Ca -0.11 -0.08 -0.34 0.00 1.01 0.00 0.00 58.87 59.35 1j0f n SER 17 Cb 0.58 -0.18 -0.12 0.00 -1.01 0.00 0.00 64.21 63.48 1j0f n SER 17 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1j0f s VAL 18 N -2.52 3.56 0.00 0.44 0.11 -1.26 -4.84 120.40 115.89 1j0f s VAL 18 Ca -0.29 -0.51 0.00 0.00 -2.93 0.00 0.00 61.98 58.25 1j0f s VAL 18 Cb 0.08 -2.48 0.00 0.00 -1.53 0.00 0.00 36.38 32.46 1j0f s VAL 18 CO 0.66 0.56 0.00 1.07 -3.33 0.00 0.00 175.10 174.06 1j0f n THR 19 N 2.73 0.00 0.00 5.04 5.66 -1.26 -4.93 114.28 121.51 1j0f n THR 19 Ca -0.18 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 1j0f n THR 19 Cb 0.53 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.31 1j0f n THR 19 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1j0f n GLY 20 N -0.85 2.72 3.55 1.09 0.00 -1.26 -5.00 105.19 105.44 1j0f n GLY 20 Ca 0.00 -0.65 -0.54 0.00 0.00 0.00 0.00 46.02 44.83 1j0f n GLY 20 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1j0f n SER 21 N 2.22 2.24 -0.04 1.61 2.88 -1.26 -4.83 113.62 116.44 1j0f n SER 21 Ca 0.00 0.74 -0.12 0.00 -1.33 0.00 0.00 58.87 58.15 1j0f n SER 21 Cb 0.00 -1.20 -0.07 0.00 -0.75 0.00 0.00 64.21 62.19 1j0f n SER 21 CO 0.00 0.00 0.00 -0.09 -1.23 0.00 0.00 175.04 173.72 1j0f h ARG 22 N 9.88 0.21 -0.77 -1.46 2.43 -1.99 -2.55 114.38 120.13 1j0f h ARG 22 Ca -0.35 -0.08 0.18 0.00 -0.81 0.00 0.00 59.98 58.91 1j0f h ARG 22 Cb 1.32 -0.01 -0.13 0.00 -0.42 0.00 0.00 29.97 30.73 1j0f h ARG 22 CO 1.00 0.53 0.05 0.93 -1.51 0.00 0.00 179.97 180.96 1j0f h GLU 23 N -0.11 0.13 0.79 0.20 3.07 -1.99 0.58 114.58 117.24 1j0f h GLU 23 Ca 0.03 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.84 1j0f h GLU 23 Cb 0.45 -0.03 0.01 0.00 -0.84 0.00 0.00 28.75 28.34 1j0f h GLU 23 CO 0.01 0.08 -0.38 0.82 -1.40 0.00 0.00 179.01 178.15 1j0f h ILE 24 N 0.13 0.00 -0.49 3.13 2.04 -1.85 -1.14 117.51 119.32 1j0f h ILE 24 Ca 0.43 -0.01 0.06 0.00 1.00 0.00 0.00 64.86 66.34 1j0f h ILE 24 Cb 0.77 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.76 1j0f h ILE 24 CO -0.65 0.00 -0.53 0.11 0.00 0.00 0.00 178.15 177.08 1j0f h LYS 25 N -1.07 -0.32 -0.79 2.37 1.57 -0.84 -0.08 116.57 117.41 1j0f h LYS 25 Ca -0.11 0.02 0.09 0.00 -1.87 0.00 0.00 60.65 58.78 1j0f h LYS 25 Cb 0.81 0.07 -0.11 0.00 0.08 0.00 0.00 32.23 33.08 1j0f h LYS 25 CO 0.18 -0.21 -0.54 0.77 -0.57 0.00 0.00 179.45 179.07 1j0f h SER 26 N -0.33 -1.93 -0.93 0.86 0.02 0.16 0.85 113.55 112.26 1j0f h SER 26 Ca 0.10 0.30 0.23 0.00 -0.84 0.00 0.00 61.79 61.57 1j0f h SER 26 Cb 0.57 0.85 -0.12 0.00 0.14 0.00 0.00 62.40 63.84 1j0f h SER 26 CO -0.64 -0.30 0.46 1.56 -1.14 0.00 0.00 176.83 176.77 1j0f h GLN 27 N -0.13 0.44 0.14 3.45 4.20 0.19 0.65 115.11 124.05 1j0f h GLN 27 Ca 0.16 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.84 1j0f h GLN 27 Cb 0.50 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.18 1j0f h GLN 27 CO -0.82 0.29 -0.07 1.96 -0.67 0.00 0.00 178.83 179.52 1j0f h GLN 28 N 0.46 -0.18 -0.53 1.46 4.20 0.22 0.79 115.11 121.53 1j0f h GLN 28 Ca 0.58 0.01 0.03 0.00 0.06 0.00 0.00 58.65 59.34 1j0f h GLN 28 Cb 1.11 0.04 -0.04 0.00 0.30 0.00 0.00 27.48 28.89 1j0f h GLN 28 CO -0.51 0.03 0.30 0.77 -0.67 0.00 0.00 178.83 178.75 1j0f h SER 29 N -0.38 0.47 0.57 1.46 0.02 0.17 -1.58 113.55 114.28 1j0f h SER 29 Ca -0.02 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1j0f h SER 29 Cb 0.30 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1j0f h SER 29 CO 0.03 0.33 -0.32 -0.33 -1.14 0.00 0.00 176.83 175.40 1j0f h GLU 30 N 0.59 -0.79 -0.99 3.45 5.08 0.32 0.22 114.58 122.46 1j0f h GLU 30 Ca 0.22 0.05 0.11 0.00 -1.00 0.00 0.00 59.36 58.74 1j0f h GLU 30 Cb 0.07 0.18 -0.13 0.00 0.50 0.00 0.00 28.75 29.37 1j0f h GLU 30 CO -0.12 -0.53 -0.54 0.28 -1.00 0.00 0.00 179.01 177.10 1j0f h VAL 31 N -0.83 0.00 -0.89 3.13 2.07 -0.73 1.18 116.25 120.19 1j0f h VAL 31 Ca -0.08 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.56 1j0f h VAL 31 Cb 0.65 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.34 1j0f h VAL 31 CO 0.10 0.00 0.52 0.71 0.02 0.00 0.00 177.57 178.92 1j0f h THR 32 N -0.01 0.88 0.50 2.57 1.35 -1.19 0.23 112.91 117.25 1j0f h THR 32 Ca 0.21 -0.28 -0.01 0.00 -0.55 0.00 0.00 66.41 65.77 1j0f h THR 32 Cb 0.46 -0.02 -0.02 0.00 -1.73 0.00 0.00 68.15 66.84 1j0f h THR 32 CO -0.95 0.15 -0.44 -0.09 -0.25 0.00 0.00 175.52 173.94 1j0f h ARG 33 N 0.82 -0.90 -0.14 4.72 2.43 0.46 1.44 114.38 123.21 1j0f h ARG 33 Ca 0.44 0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.71 1j0f h ARG 33 Cb 0.47 0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 30.19 1j0f h ARG 33 CO -0.28 -0.60 -0.07 0.82 -1.51 0.00 0.00 179.97 178.33 1j0f h ILE 34 N -0.94 0.78 -0.39 1.20 2.04 -0.05 0.86 117.51 121.01 1j0f h ILE 34 Ca -0.06 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.84 1j0f h ILE 34 Cb 0.81 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 1j0f h ILE 34 CO -0.03 0.00 0.26 -0.07 0.00 0.00 0.00 178.15 178.31 1j0f h LEU 35 N -0.05 0.32 -0.16 1.44 3.38 -0.28 0.83 115.31 120.80 1j0f h LEU 35 Ca 0.08 -0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.82 1j0f h LEU 35 Cb 0.17 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 40.86 1j0f h LEU 35 CO -0.18 0.22 -0.79 -0.78 0.09 0.00 0.00 178.44 177.00 1j0f h ASP 36 N 0.37 0.94 -0.22 -0.43 3.58 0.40 -0.12 116.42 120.94 1j0f h ASP 36 Ca 0.16 -0.62 -0.10 0.00 0.42 0.00 0.00 57.03 56.89 1j0f h ASP 36 Cb 0.19 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 40.96 1j0f h ASP 36 CO -0.04 1.42 -0.25 1.23 -2.88 0.00 0.00 179.24 178.73 1j0f h GLY 37 N 0.57 0.60 2.00 -0.78 0.00 0.23 -2.62 103.07 103.07 1j0f h GLY 37 Ca -0.06 -0.64 0.00 0.00 0.00 0.00 0.00 47.33 46.64 1j0f h GLY 37 CO 0.16 0.57 0.00 0.28 0.00 0.00 0.00 176.54 177.56 1j0f n LYS 38 N -4.37 0.15 -3.30 4.80 5.02 0.27 -4.87 118.16 115.86 1j0f n LYS 38 Ca -0.05 0.42 -0.17 0.00 -2.02 0.00 0.00 58.31 56.49 1j0f n LYS 38 Cb 0.44 -1.80 0.07 0.00 -0.02 0.00 0.00 35.03 33.72 1j0f n LYS 38 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1j0f n ARG 39 N -2.08 -6.06 -3.33 1.97 5.12 -0.78 -4.99 116.66 106.51 1j0f n ARG 39 Ca 0.02 0.69 -0.37 0.00 -1.93 0.00 0.00 57.85 56.26 1j0f n ARG 39 Cb 0.19 -5.28 -0.06 0.00 -1.16 0.00 0.00 32.46 26.15 1j0f n ARG 39 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1j0f s ILE 40 N -3.28 4.81 -0.45 0.55 1.01 -0.13 -5.03 121.20 118.68 1j0f s ILE 40 Ca 0.26 1.04 -0.25 0.00 0.00 0.00 0.00 60.65 61.70 1j0f s ILE 40 Cb -0.12 -3.82 0.03 0.00 0.01 0.00 0.00 42.46 38.56 1j0f s ILE 40 CO 0.60 0.44 0.90 -1.10 0.00 0.00 0.00 174.94 175.78 1j0f s GLN 41 N -1.43 3.54 0.30 2.79 -0.21 -1.26 -4.80 119.66 118.59 1j0f s GLN 41 Ca 0.32 0.15 0.03 0.00 0.02 0.00 0.00 55.36 55.88 1j0f s GLN 41 Cb -0.17 -3.92 -0.02 0.00 1.00 0.00 0.00 33.01 29.89 1j0f s GLN 41 CO 0.18 -1.18 0.30 1.52 -2.12 0.00 0.00 175.29 173.99 1j0f s TYR 42 N 3.66 1.45 -0.07 0.91 -0.85 -1.26 -4.01 117.35 117.18 1j0f s TYR 42 Ca 0.36 -1.50 0.01 0.00 -0.52 0.00 0.00 57.07 55.42 1j0f s TYR 42 Cb -0.11 -0.52 0.02 0.00 0.38 0.00 0.00 41.96 41.73 1j0f s TYR 42 CO 0.25 -0.89 -0.08 -1.14 -1.52 0.00 0.00 175.55 172.18 1j0f s GLN 43 N -3.52 1.31 -0.45 -3.49 0.74 0.15 -4.96 119.66 109.44 1j0f s GLN 43 Ca 0.38 -0.24 -0.29 0.00 0.05 0.00 0.00 55.36 55.26 1j0f s GLN 43 Cb 0.03 -1.25 0.02 0.00 1.10 0.00 0.00 33.01 32.91 1j0f s GLN 43 CO 0.22 -0.11 1.23 -1.17 -0.55 0.00 0.00 175.29 174.92 1j0f s LEU 44 N 1.11 3.62 -0.37 3.68 2.96 -1.26 -0.36 118.68 128.07 1j0f s LEU 44 Ca -0.07 0.60 -0.17 0.00 -0.22 0.00 0.00 54.13 54.27 1j0f s LEU 44 Cb -0.14 -3.55 -0.00 0.00 0.50 0.00 0.00 46.19 43.00 1j0f s LEU 44 CO -0.01 -1.31 0.45 -0.69 -1.32 0.00 0.00 176.35 173.47 1j0f s VAL 45 N 4.77 5.08 -0.53 1.68 1.01 -0.23 -4.93 120.40 127.24 1j0f s VAL 45 Ca 0.52 0.08 -0.25 0.00 0.00 0.00 0.00 61.98 62.33 1j0f s VAL 45 Cb -0.09 -3.94 0.04 0.00 0.00 0.00 0.00 36.38 32.38 1j0f s VAL 45 CO 0.32 -0.23 0.97 -0.62 0.00 0.00 0.00 175.10 175.54 1j0f s ASP 46 N 1.77 6.39 0.17 3.32 2.15 -1.25 -0.49 116.67 128.73 1j0f s ASP 46 Ca 0.15 -0.18 0.02 0.00 0.43 0.00 0.00 52.55 52.98 1j0f s ASP 46 Cb -0.16 -2.45 -0.00 0.00 -0.30 0.00 0.00 42.92 40.00 1j0f s ASP 46 CO 0.13 -1.22 1.38 0.16 -0.17 0.00 0.00 175.17 175.45 1j0f h ILE 47 N 6.05 1.49 -0.11 4.11 3.07 -1.55 -3.02 117.51 127.56 1j0f h ILE 47 Ca -0.25 -2.61 0.03 0.00 1.55 0.00 0.00 64.86 63.58 1j0f h ILE 47 Cb 1.07 2.45 -0.00 0.00 -0.27 0.00 0.00 36.82 40.07 1j0f h ILE 47 CO 1.09 0.76 0.09 0.77 -1.05 0.00 0.00 178.15 179.81 1j0f h SER 48 N 0.11 0.00 0.91 2.16 4.64 -1.90 -2.51 113.55 116.96 1j0f h SER 48 Ca -0.04 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.23 1j0f h SER 48 Cb 1.50 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.60 1j0f h SER 48 CO 0.13 0.00 -0.44 1.56 -0.87 0.00 0.00 176.83 177.21 1j0f h GLN 49 N 0.00 -1.18 -4.67 4.77 1.08 -1.89 -3.39 115.11 109.83 1j0f h GLN 49 Ca 0.05 0.08 -0.69 0.00 -1.45 0.00 0.00 58.65 56.64 1j0f h GLN 49 Cb 0.24 0.27 -0.33 0.00 -0.05 0.00 0.00 27.48 27.61 1j0f h GLN 49 CO -0.00 -0.78 -0.64 0.34 -0.95 0.00 0.00 178.83 176.79 1j0f s ASP 50 N -4.14 5.05 0.46 1.46 -1.08 -0.95 -4.95 116.67 112.53 1j0f s ASP 50 Ca -0.19 -1.51 0.33 0.00 -0.52 0.00 0.00 52.55 50.67 1j0f s ASP 50 Cb 0.02 -1.77 1.47 0.00 -1.46 0.00 0.00 42.92 41.19 1j0f s ASP 50 CO 0.57 -0.36 1.63 -0.55 0.52 0.00 0.00 175.17 176.99 1j0f h ASN 51 N 8.03 0.19 -0.13 -0.34 7.08 -1.77 0.83 115.58 129.47 1j0f h ASN 51 Ca -0.18 0.10 0.05 0.00 -3.08 0.00 0.00 56.30 53.19 1j0f h ASN 51 Cb 1.06 0.09 -0.06 0.00 -2.08 0.00 0.00 38.32 37.33 1j0f h ASN 51 CO 0.59 -0.13 -0.27 0.00 -2.08 0.00 0.00 177.43 175.54 1j0f h ALA 52 N 1.49 -0.27 -0.94 4.14 0.00 -1.93 -1.96 119.26 119.79 1j0f h ALA 52 Ca 0.81 0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.86 1j0f h ALA 52 Cb 2.71 0.52 -0.13 0.00 0.00 0.00 0.00 17.79 20.89 1j0f h ALA 52 CO -0.32 -0.73 -0.53 -0.07 0.00 0.00 0.00 179.25 177.60 1j0f h LEU 53 N -0.34 -1.93 -0.92 0.00 3.38 0.46 1.03 115.31 117.00 1j0f h LEU 53 Ca 0.10 0.32 0.28 0.00 0.09 0.00 0.00 57.88 58.67 1j0f h LEU 53 Cb 0.49 0.88 -0.17 0.00 0.09 0.00 0.00 40.66 41.95 1j0f h LEU 53 CO -0.32 -0.26 0.13 -1.14 0.09 0.00 0.00 178.44 176.93 1j0f n ARG 54 N -5.32 -0.07 0.10 1.13 0.63 -0.75 0.72 116.66 113.11 1j0f n ARG 54 Ca 0.04 1.35 -0.05 0.00 -0.92 0.00 0.00 57.85 58.26 1j0f n ARG 54 Cb 0.30 -2.20 -0.03 0.00 0.45 0.00 0.00 32.46 30.99 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 -0.30 -0.94 6.15 3.58 0.96 -2.86 116.42 123.02 1j0f h ASP 55 Ca 0.61 0.01 0.36 0.00 0.42 0.00 0.00 57.03 58.42 1j0f h ASP 55 Cb 1.35 0.08 -0.17 0.00 1.72 0.00 0.00 39.33 42.31 1j0f h ASP 55 CO -0.83 0.13 0.38 -0.62 -2.88 0.00 0.00 179.24 175.42 1j0f n GLU 56 N -4.84 -0.06 -0.04 0.28 1.02 0.12 0.16 120.64 117.28 1j0f n GLU 56 Ca -0.04 1.32 -0.11 0.00 -0.02 0.00 0.00 57.16 58.30 1j0f n GLU 56 Cb 0.14 -2.30 -0.06 0.00 -0.02 0.00 0.00 31.44 29.20 1j0f n GLU 56 CO 0.00 0.00 0.00 1.98 1.18 0.00 0.00 177.13 180.29 1j0f h MET 57 N 0.00 0.21 -0.28 3.49 4.05 0.25 -0.69 114.93 121.96 1j0f h MET 57 Ca 0.74 -0.05 0.05 0.00 -0.28 0.00 0.00 59.70 60.16 1j0f h MET 57 Cb 1.86 -0.03 -0.05 0.00 -0.80 0.00 0.00 31.60 32.59 1j0f h MET 57 CO -0.76 0.37 -0.02 0.00 0.23 0.00 0.00 176.91 176.73 1j0f h ARG 58 N 0.02 0.06 0.28 0.39 3.08 0.18 0.44 114.38 118.83 1j0f h ARG 58 Ca 0.04 -0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.08 1j0f h ARG 58 Cb 0.25 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.28 1j0f h ARG 58 CO 0.00 0.04 -0.21 1.15 -1.07 0.00 0.00 179.97 179.88 1j0f h THR 59 N 0.06 0.56 0.20 2.04 2.02 -0.95 0.37 112.91 117.21 1j0f h THR 59 Ca 0.13 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.33 1j0f h THR 59 Cb 0.19 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.12 1j0f h THR 59 CO -0.24 0.00 -0.40 -0.07 0.37 0.00 0.00 175.52 175.18 1j0f h LEU 60 N -0.49 -1.15 -0.40 2.58 3.38 -0.73 -2.20 115.31 116.30 1j0f h LEU 60 Ca -0.02 0.12 0.08 0.00 0.09 0.00 0.00 57.88 58.15 1j0f h LEU 60 Cb 0.43 0.42 -0.09 0.00 0.09 0.00 0.00 40.66 41.51 1j0f h LEU 60 CO -0.00 -0.50 -0.24 0.00 0.09 0.00 0.00 178.44 177.79 1j0f h ALA 61 N -0.22 0.01 0.00 1.53 0.00 0.02 -3.46 119.26 117.14 1j0f h ALA 61 Ca 0.01 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1j0f h ALA 61 Cb 0.68 0.55 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1j0f h ALA 61 CO -0.18 -0.61 0.00 0.41 0.00 0.00 0.00 179.25 178.86 1j0f n GLY 62 N -1.39 1.75 3.64 0.00 0.00 0.11 -5.02 105.19 104.28 1j0f n GLY 62 Ca 0.02 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.85 0.20 1.61 2.47 -0.08 -5.02 114.94 111.27 1j0f s ASN 63 Ca 0.00 1.41 0.07 0.00 0.42 0.00 0.00 52.86 54.76 1j0f s ASN 63 Cb 0.00 1.37 0.11 0.00 -1.45 0.00 0.00 41.25 41.28 1j0f s ASN 63 CO 0.00 -0.23 1.46 1.55 -3.72 0.00 0.00 177.10 176.17 1j0f h PRO 64 N 6.44 0.09 -1.86 0.43 0.13 -1.97 -3.22 132.00 132.04 1j0f h PRO 64 Ca -0.30 -0.09 -0.69 0.00 -0.87 0.00 0.00 66.00 64.06 1j0f h PRO 64 Cb 1.21 0.02 -0.25 0.00 0.13 0.00 0.00 31.00 32.11 1j0f h PRO 64 CO 0.14 0.82 0.90 1.63 -0.23 0.00 0.00 178.00 181.26 1j0f n LYS 65 N -3.67 2.65 -2.90 0.86 5.02 -1.26 -4.95 118.16 113.91 1j0f n LYS 65 Ca -0.02 -3.20 -0.21 0.00 -2.02 0.00 0.00 58.31 52.86 1j0f n LYS 65 Cb 0.74 -2.23 0.02 0.00 -0.02 0.00 0.00 35.03 33.55 1j0f n LYS 65 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1j0f s ALA 66 N -3.53 3.99 0.11 7.82 0.00 -1.22 -5.12 121.76 123.81 1j0f s ALA 66 Ca 0.54 -1.31 -0.18 0.00 0.00 0.00 0.00 51.96 51.01 1j0f s ALA 66 Cb 0.43 -1.98 0.04 0.00 0.00 0.00 0.00 23.12 21.61 1j0f s ALA 66 CO -0.32 -0.48 0.45 0.95 0.00 0.00 0.00 175.76 176.36 1j0f s THR 67 N -2.57 0.05 0.85 0.00 -4.23 -1.26 -4.99 115.64 103.50 1j0f s THR 67 Ca 0.53 -0.42 -0.12 0.00 -1.18 0.00 0.00 61.69 60.50 1j0f s THR 67 Cb -0.10 -1.08 0.10 0.00 1.34 0.00 0.00 72.50 72.76 1j0f s THR 67 CO 0.37 -0.23 1.12 -2.16 -0.54 0.00 0.00 174.62 173.17 1j0f s PRO 68 N -3.38 1.64 1.10 3.99 0.04 -1.26 -4.66 135.00 132.47 1j0f s PRO 68 Ca 0.00 0.48 -0.18 0.00 0.04 0.00 0.00 61.00 61.34 1j0f s PRO 68 Cb 0.01 -1.88 0.25 0.00 0.04 0.00 0.00 34.50 32.92 1j0f s PRO 68 CO -0.09 -1.89 1.23 -1.25 0.04 0.00 0.00 177.00 175.04 1j0f s PRO 69 N -5.21 -0.44 -0.27 0.56 0.04 -1.26 -4.81 135.00 123.62 1j0f s PRO 69 Ca 0.62 -0.30 -0.04 0.00 0.04 0.00 0.00 61.00 61.32 1j0f s PRO 69 Cb -0.15 -1.71 0.15 0.00 0.04 0.00 0.00 34.50 32.83 1j0f s PRO 69 CO 0.54 -3.15 0.52 -0.65 0.04 0.00 0.00 177.00 174.30 1j0f s GLN 70 N -5.70 0.47 0.05 4.56 1.11 -1.10 -4.23 119.66 114.82 1j0f s GLN 70 Ca 0.73 0.99 -0.19 0.00 0.01 0.00 0.00 55.36 56.91 1j0f s GLN 70 Cb -0.06 0.33 -0.06 0.00 -1.01 0.00 0.00 33.01 32.21 1j0f s GLN 70 CO 0.55 -0.47 0.54 0.42 0.01 0.00 0.00 175.29 176.34 1j0f s ILE 71 N 2.75 4.82 -0.08 1.08 1.01 -1.20 -0.25 121.20 129.34 1j0f s ILE 71 Ca 0.09 1.16 -0.05 0.00 0.00 0.00 0.00 60.65 61.85 1j0f s ILE 71 Cb -0.14 -3.87 0.03 0.00 0.01 0.00 0.00 42.46 38.49 1j0f s ILE 71 CO -0.18 0.53 0.19 -0.69 0.00 0.00 0.00 174.94 174.79 1j0f s VAL 72 N -0.93 -0.03 -0.27 2.92 1.01 0.30 -1.85 120.40 121.55 1j0f s VAL 72 Ca 0.28 0.10 0.03 0.00 0.00 0.00 0.00 61.98 62.39 1j0f s VAL 72 Cb -0.19 -0.28 0.07 0.00 0.00 0.00 0.00 36.38 35.98 1j0f s VAL 72 CO 0.18 0.04 -0.07 0.21 0.00 0.00 0.00 175.10 175.46 1j0f s ASN 73 N 0.79 4.40 -1.46 3.32 3.84 -0.29 0.24 114.94 125.78 1j0f s ASN 73 Ca -0.06 -1.51 -0.10 0.00 0.21 0.00 0.00 52.86 51.40 1j0f s ASN 73 Cb -0.07 -1.49 0.05 0.00 -0.55 0.00 0.00 41.25 39.19 1j0f s ASN 73 CO -0.04 -0.24 0.84 0.61 -2.79 0.00 0.00 177.10 175.48 1j0f n GLY 74 N 4.45 -0.51 2.01 1.21 0.00 -0.89 -0.62 105.19 110.83 1j0f n GLY 74 Ca -0.10 0.17 -0.01 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 -2.69 -1.26 -4.16 1.61 2.85 -1.26 -5.02 115.26 105.33 1j0f n ASN 75 Ca -0.01 0.00 -0.35 0.00 -0.11 0.00 0.00 54.58 54.11 1j0f n ASN 75 Cb 0.56 -0.64 -0.13 0.00 1.24 0.00 0.00 39.78 40.81 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 -2.03 3.39 -0.53 1.20 3.76 0.21 -5.05 115.29 116.23 1j0f s HIS 76 Ca 0.00 -2.06 -0.26 0.00 -0.15 0.00 0.00 55.06 52.58 1j0f s HIS 76 Cb 0.00 -2.49 -0.04 0.00 1.11 0.00 0.00 32.58 31.15 1j0f s HIS 76 CO 0.00 -0.86 2.11 -0.47 -0.85 0.00 0.00 174.74 174.68 1j0f s TYR 77 N 1.21 1.39 0.01 1.40 5.04 -1.26 -1.13 117.35 124.00 1j0f s TYR 77 Ca -0.00 1.12 -0.20 0.00 -2.44 0.00 0.00 57.07 55.55 1j0f s TYR 77 Cb -0.21 -3.86 -0.11 0.00 0.35 0.00 0.00 41.96 38.14 1j0f s TYR 77 CO -0.02 -2.50 0.96 0.00 -1.34 0.00 0.00 175.55 172.65 1j0f n GLY 79 N -0.41 -1.39 3.97 0.00 0.00 -1.25 -5.00 105.19 101.11 1j0f n GLY 79 Ca -0.09 -1.15 -0.24 0.00 0.00 0.00 0.00 46.02 44.54 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 -3.91 4.44 0.26 1.61 -4.77 -1.26 -3.22 116.67 109.82 1j0f s ASP 80 Ca 0.00 -0.09 -0.03 0.00 -3.30 0.00 0.00 52.55 49.14 1j0f s ASP 80 Cb 0.00 -0.39 0.54 0.00 -1.09 0.00 0.00 42.92 41.99 1j0f s ASP 80 CO 0.00 -1.80 1.68 0.22 0.70 0.00 0.00 175.17 175.97 1j0f h TYR 81 N -0.57 0.32 -0.20 2.11 5.03 -1.92 0.22 116.97 121.97 1j0f h TYR 81 Ca -0.40 0.05 0.05 0.00 2.58 0.00 0.00 58.73 61.01 1j0f h TYR 81 Cb 1.28 -0.02 -0.06 0.00 1.55 0.00 0.00 36.73 39.48 1j0f h TYR 81 CO -0.12 -0.11 -0.22 0.93 -1.32 0.00 0.00 178.16 177.31 1j0f h GLU 82 N 0.27 -0.24 -0.09 1.82 4.39 -1.96 0.25 114.58 119.02 1j0f h GLU 82 Ca 0.46 0.02 0.03 0.00 0.34 0.00 0.00 59.36 60.21 1j0f h GLU 82 Cb 0.83 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.50 1j0f h GLU 82 CO -0.55 -0.16 -0.14 -0.07 -1.16 0.00 0.00 179.01 176.93 1j0f h LEU 83 N -0.25 -0.42 -0.07 1.33 4.07 -1.37 0.40 115.31 119.00 1j0f h LEU 83 Ca 0.12 0.07 0.04 0.00 0.08 0.00 0.00 57.88 58.19 1j0f h LEU 83 Cb 0.43 0.20 -0.06 0.00 1.08 0.00 0.00 40.66 42.31 1j0f h LEU 83 CO -0.34 -0.18 -0.39 0.15 -1.08 0.00 0.00 178.44 176.59 1j0f h PHE 84 N -0.19 -1.11 0.57 1.13 3.04 -0.33 -0.13 116.94 119.93 1j0f h PHE 84 Ca 0.08 0.04 -0.02 0.00 3.98 0.00 0.00 57.97 62.05 1j0f h PHE 84 Cb 0.30 0.50 -0.01 0.00 2.56 0.00 0.00 35.95 39.29 1j0f h PHE 84 CO -0.24 -0.47 -0.46 0.28 -2.02 0.00 0.00 178.31 175.41 1j0f h VAL 85 N -0.51 0.00 -0.85 1.41 2.07 -0.18 0.54 116.25 118.73 1j0f h VAL 85 Ca 0.07 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.74 1j0f h VAL 85 Cb 0.62 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.24 1j0f h VAL 85 CO -0.35 0.00 -0.26 1.21 0.02 0.00 0.00 177.57 178.19 1j0f n GLU 86 N -5.25 -0.13 0.17 1.57 0.00 0.14 0.12 120.64 117.27 1j0f n GLU 86 Ca -0.12 1.32 -0.14 0.00 0.00 0.00 0.00 57.16 58.23 1j0f n GLU 86 Cb 0.44 -1.97 -0.08 0.00 0.00 0.00 0.00 31.44 29.83 1j0f n GLU 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1j0f h ALA 87 N 1.50 -0.45 -0.80 4.31 0.00 -0.57 -1.39 119.26 121.85 1j0f h ALA 87 Ca 0.36 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 55.28 1j0f h ALA 87 Cb 0.58 0.17 -0.14 0.00 0.00 0.00 0.00 17.79 18.40 1j0f h ALA 87 CO -0.87 -0.60 -0.04 0.28 0.00 0.00 0.00 179.25 178.02 1j0f h VAL 88 N -0.75 0.26 -0.36 0.00 2.07 0.49 1.69 116.25 119.65 1j0f h VAL 88 Ca -0.05 -0.02 0.01 0.00 0.82 0.00 0.00 66.70 67.46 1j0f h VAL 88 Cb 0.50 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.44 1j0f h VAL 88 CO 0.08 0.01 0.24 -0.33 0.02 0.00 0.00 177.57 177.58 1j0f h GLU 89 N 0.06 0.47 0.00 1.57 4.39 0.11 -0.07 114.58 121.11 1j0f h GLU 89 Ca 0.43 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 60.10 1j0f h GLU 89 Cb 0.76 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1j0f h GLU 89 CO -0.74 0.31 0.00 1.04 -1.16 0.00 0.00 179.01 178.45 1j0f n GLN 90 N -4.85 0.77 -1.12 2.33 1.13 0.16 -4.84 117.38 110.97 1j0f n GLN 90 Ca -0.00 0.01 -0.04 0.00 -1.94 0.00 0.00 57.00 55.03 1j0f n GLN 90 Cb 0.03 -1.50 -0.02 0.00 0.11 0.00 0.00 30.24 28.86 1j0f n GLN 90 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1j0f n ASP 91 N -1.08 -4.81 -1.83 1.08 2.03 0.53 -4.83 116.55 107.64 1j0f n ASP 91 Ca 0.19 0.10 -0.13 0.00 0.52 0.00 0.00 54.79 55.48 1j0f n ASP 91 Cb 0.13 -2.66 0.17 0.00 -0.72 0.00 0.00 41.12 38.04 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 -2.44 2.50 0.22 5.18 -2.24 0.70 -4.35 114.28 113.84 1j0f n THR 92 Ca -0.04 -1.33 0.06 0.00 -2.27 0.00 0.00 64.05 60.47 1j0f n THR 92 Cb 0.35 -0.55 0.56 0.00 -2.10 0.00 0.00 70.33 68.60 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 1.43 0.05 0.35 3.22 5.85 -1.86 0.34 115.31 124.68 1j0f h LEU 93 Ca 0.37 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 59.07 1j0f h LEU 93 Cb 2.21 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 43.24 1j0f h LEU 93 CO 0.72 0.11 -0.17 1.56 -0.34 0.00 0.00 178.44 180.32 1j0f h GLN 94 N 0.05 -0.45 -0.13 1.25 7.50 -1.93 -2.61 115.11 118.79 1j0f h GLN 94 Ca 0.01 0.03 0.04 0.00 0.50 0.00 0.00 58.65 59.23 1j0f h GLN 94 Cb 0.13 0.10 -0.01 0.00 0.05 0.00 0.00 27.48 27.75 1j0f h GLN 94 CO 0.01 -0.16 0.14 0.93 -1.50 0.00 0.00 178.83 178.25 1j0f h GLU 95 N -1.00 0.00 0.36 1.46 5.08 -1.83 -2.20 114.58 116.45 1j0f h GLU 95 Ca -0.05 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 1j0f h GLU 95 Cb 0.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1j0f h GLU 95 CO 0.08 0.00 -0.17 0.35 -1.00 0.00 0.00 179.01 178.27 1j0f h PHE 96 N 0.00 -0.45 -0.11 4.33 3.57 -0.86 -3.45 116.94 119.96 1j0f h PHE 96 Ca 0.06 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1j0f h PHE 96 Cb 0.35 0.15 0.00 0.00 2.79 0.00 0.00 35.95 39.24 1j0f h PHE 96 CO 0.00 -0.12 0.00 1.28 -2.23 0.00 0.00 178.31 177.24 1j0f n LEU 97 N -5.16 0.00 -3.51 0.59 4.77 -0.83 -4.91 117.00 107.95 1j0f n LEU 97 Ca -0.10 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.62 1j0f n LEU 97 Cb 0.28 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.27 1j0f n LEU 97 CO 0.30 0.00 -0.12 0.29 -1.33 0.00 0.00 177.39 176.54 1j0f n LYS 98 N 0.00 1.46 0.00 3.23 4.01 -1.26 -4.81 118.16 120.79 1j0f n LYS 98 Ca 0.00 -4.01 0.00 0.00 -0.51 0.00 0.00 58.31 53.79 1j0f n LYS 98 Cb 0.00 -1.93 0.00 0.00 -0.51 0.00 0.00 35.03 32.59 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 1.71 1.34 -0.18 -0.35 7.99 -1.25 -4.90 117.00 121.36 1j0f n LEU 99 Ca 0.25 0.00 0.02 0.00 -0.01 0.00 0.00 56.01 56.27 1j0f n LEU 99 Cb 0.43 0.00 0.02 0.00 -0.11 0.00 0.00 43.42 43.76 1j0f n LEU 99 CO 0.25 0.18 0.32 0.00 -1.51 0.00 0.00 177.39 176.63