#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j0f n SER 2 N 0.00 -6.31 -3.31 1.61 7.64 -1.26 -4.98 113.62 107.01 1j0f n SER 2 Ca 0.00 1.32 -0.10 0.00 1.01 0.00 0.00 58.87 61.10 1j0f n SER 2 Cb 0.00 -3.73 -0.06 0.00 -1.01 0.00 0.00 64.21 59.41 1j0f n SER 2 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1j0f s GLU 3 N -4.67 0.60 0.00 1.43 2.02 -1.26 -5.10 118.70 111.73 1j0f s GLU 3 Ca 0.00 -0.40 0.00 0.00 0.02 0.00 0.00 54.97 54.59 1j0f s GLU 3 Cb 0.00 -0.41 0.00 0.00 0.10 0.00 0.00 34.13 33.82 1j0f s GLU 3 CO 0.00 -1.14 0.00 0.41 0.02 0.00 0.00 175.26 174.55 1j0f n GLY 4 N 4.66 -0.30 3.52 -1.39 0.00 -1.26 -5.14 105.19 105.28 1j0f n GLY 4 Ca 0.08 -1.26 -0.10 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.65 -1.84 0.30 4.61 0.00 -1.26 -5.18 121.76 117.74 1j0f s ALA 5 Ca 0.00 1.20 0.10 0.00 0.00 0.00 0.00 51.96 53.26 1j0f s ALA 5 Cb 0.00 0.05 -0.06 0.00 0.00 0.00 0.00 23.12 23.12 1j0f s ALA 5 CO 0.00 -0.54 -0.14 0.00 0.00 0.00 0.00 175.76 175.08 1j0f s ALA 6 N -2.34 2.76 0.20 0.00 0.00 -1.26 -5.07 121.76 116.05 1j0f s ALA 6 Ca 0.01 -1.96 0.00 0.00 0.00 0.00 0.00 51.96 50.01 1j0f s ALA 6 Cb -0.01 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 22.99 1j0f s ALA 6 CO -0.04 0.15 0.00 2.41 0.00 0.00 0.00 175.76 178.28 1j0f n THR 7 N -0.68 0.50 -4.12 0.00 -1.04 -1.26 -5.10 114.28 102.59 1j0f n THR 7 Ca -0.05 0.17 -0.31 0.00 -2.04 0.00 0.00 64.05 61.81 1j0f n THR 7 Cb 0.62 -0.94 -0.07 0.00 -1.82 0.00 0.00 70.33 68.12 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 -1.94 2.87 -0.30 -2.82 -1.94 -1.26 -5.09 119.30 108.82 1j0f s MET 8 Ca 0.00 -0.64 0.03 0.00 -1.71 0.00 0.00 55.69 53.37 1j0f s MET 8 Cb 0.00 -2.73 0.08 0.00 2.01 0.00 0.00 34.83 34.19 1j0f s MET 8 CO 0.00 0.60 -0.00 -1.12 -0.01 0.00 0.00 175.02 174.48 1j0f s SER 9 N -2.04 4.45 -1.01 3.03 0.01 -1.26 -4.97 113.70 111.91 1j0f s SER 9 Ca 0.25 -1.74 -0.12 0.00 1.31 0.00 0.00 55.95 55.66 1j0f s SER 9 Cb -0.12 -1.44 0.24 0.00 0.21 0.00 0.00 66.02 64.91 1j0f s SER 9 CO 0.17 -0.31 1.01 -0.83 0.41 0.00 0.00 173.24 173.69 1j0f s GLY 10 N 1.12 2.93 0.31 3.44 0.00 -1.26 -4.87 107.32 108.99 1j0f s GLY 10 Ca 0.03 -3.59 -0.28 0.00 0.00 0.00 0.00 44.72 40.88 1j0f s GLY 10 CO -0.09 1.38 1.10 -2.27 0.00 0.00 0.00 173.10 173.22 1j0f s LEU 11 N -0.42 4.45 -0.02 0.66 1.98 -1.21 0.12 118.68 124.25 1j0f s LEU 11 Ca 0.27 2.24 0.01 0.00 -2.89 0.00 0.00 54.13 53.77 1j0f s LEU 11 Cb -0.09 -3.75 0.01 0.00 0.66 0.00 0.00 46.19 43.01 1j0f s LEU 11 CO -0.08 -0.25 -0.04 -0.13 -1.89 0.00 0.00 176.35 173.96 1j0f s ARG 12 N -1.69 0.49 -0.40 1.98 0.52 0.13 -0.49 118.95 119.48 1j0f s ARG 12 Ca 0.48 -0.13 -0.01 0.00 -0.52 0.00 0.00 55.73 55.54 1j0f s ARG 12 Cb -0.30 -0.50 0.11 0.00 0.52 0.00 0.00 34.95 34.77 1j0f s ARG 12 CO 0.39 0.04 0.17 0.08 0.02 0.00 0.00 175.30 176.00 1j0f s VAL 13 N 0.24 3.01 -0.66 3.52 1.01 -0.46 -0.80 120.40 126.26 1j0f s VAL 13 Ca -0.03 -2.19 -0.27 0.00 0.00 0.00 0.00 61.98 59.50 1j0f s VAL 13 Cb -0.06 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.23 1j0f s VAL 13 CO -0.00 -0.67 1.55 -0.31 0.00 0.00 0.00 175.10 175.67 1j0f s TYR 14 N 1.02 2.01 0.49 5.22 1.51 -0.30 -0.34 117.35 126.95 1j0f s TYR 14 Ca 0.09 0.38 0.05 0.00 -1.01 0.00 0.00 57.07 56.58 1j0f s TYR 14 Cb -0.22 -4.36 -0.01 0.00 -0.11 0.00 0.00 41.96 37.26 1j0f s TYR 14 CO -0.05 -2.18 0.23 -1.54 -1.11 0.00 0.00 175.55 170.90 1j0f s SER 15 N 5.73 4.44 -0.14 2.29 1.04 0.61 -2.63 113.70 125.05 1j0f s SER 15 Ca 0.51 -1.29 0.01 0.00 0.48 0.00 0.00 55.95 55.66 1j0f s SER 15 Cb -0.10 0.13 0.02 0.00 0.10 0.00 0.00 66.02 66.17 1j0f s SER 15 CO 0.19 -0.85 -0.14 0.28 0.98 0.00 0.00 173.24 173.70 1j0f s THR 16 N -2.74 1.51 0.24 2.02 -1.32 -1.26 -0.21 115.64 113.88 1j0f s THR 16 Ca 0.29 -0.60 0.03 0.00 -1.21 0.00 0.00 61.69 60.20 1j0f s THR 16 Cb 0.01 -1.42 -0.02 0.00 -1.51 0.00 0.00 72.50 69.56 1j0f s THR 16 CO 0.17 0.45 1.59 -1.28 -2.21 0.00 0.00 174.62 173.34 1j0f h SER 17 N 7.93 0.37 -3.53 8.08 0.87 -1.92 -3.41 113.55 121.95 1j0f h SER 17 Ca -0.36 -0.19 -0.67 0.00 -1.23 0.00 0.00 61.79 59.34 1j0f h SER 17 Cb 1.14 -0.10 -0.29 0.00 -0.44 0.00 0.00 62.40 62.70 1j0f h SER 17 CO 0.51 0.82 -0.70 0.54 -0.53 0.00 0.00 176.83 177.47 1j0f s VAL 18 N -3.97 3.29 -0.28 2.23 0.11 -1.26 -5.07 120.40 115.46 1j0f s VAL 18 Ca -0.05 -0.85 -0.22 0.00 -2.93 0.00 0.00 61.98 57.92 1j0f s VAL 18 Cb 0.12 -2.66 0.09 0.00 -1.53 0.00 0.00 36.38 32.40 1j0f s VAL 18 CO 0.80 0.18 0.78 0.28 -3.33 0.00 0.00 175.10 173.82 1j0f s THR 19 N 1.40 0.00 -0.77 5.04 -1.32 -1.26 -4.91 115.64 113.82 1j0f s THR 19 Ca 0.02 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.49 1j0f s THR 19 Cb -0.17 -1.00 0.36 0.00 -1.51 0.00 0.00 72.50 70.19 1j0f s THR 19 CO -0.02 0.00 1.85 0.61 -2.21 0.00 0.00 174.62 174.85 1j0f n GLY 20 N 3.09 5.62 2.89 6.08 0.00 -1.26 -4.78 105.19 116.82 1j0f n GLY 20 Ca -0.16 -2.54 -0.12 0.00 0.00 0.00 0.00 46.02 43.21 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 -1.57 0.43 0.31 1.61 0.15 -1.26 -5.01 113.70 108.36 1j0f s SER 21 Ca 0.51 -1.25 0.03 0.00 0.70 0.00 0.00 55.95 55.94 1j0f s SER 21 Cb 0.43 0.96 0.79 0.00 -1.71 0.00 0.00 66.02 66.49 1j0f s SER 21 CO -0.37 -0.25 1.55 0.54 1.20 0.00 0.00 173.24 175.91 1j0f n ARG 22 N 4.42 -0.08 -0.18 5.44 1.74 -1.26 -0.27 116.66 126.47 1j0f n ARG 22 Ca 0.10 1.48 -0.10 0.00 -0.77 0.00 0.00 57.85 58.55 1j0f n ARG 22 Cb 0.48 -2.36 -0.08 0.00 -1.02 0.00 0.00 32.46 29.48 1j0f n ARG 22 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1j0f h GLU 23 N 0.00 -0.21 -0.19 5.56 4.39 -1.99 0.21 114.58 122.35 1j0f h GLU 23 Ca 0.61 0.01 0.02 0.00 0.34 0.00 0.00 59.36 60.35 1j0f h GLU 23 Cb 1.29 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.96 1j0f h GLU 23 CO -0.92 -0.14 -0.15 0.82 -1.16 0.00 0.00 179.01 177.45 1j0f h ILE 24 N -0.22 0.00 -0.94 3.13 2.04 -0.97 0.17 117.51 120.72 1j0f h ILE 24 Ca 0.08 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.02 1j0f h ILE 24 Cb 0.42 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.39 1j0f h ILE 24 CO -0.55 0.00 -0.57 0.11 0.00 0.00 0.00 178.15 177.14 1j0f h LYS 25 N -0.05 -0.02 -0.98 2.37 1.57 -1.22 0.35 116.57 118.59 1j0f h LYS 25 Ca 0.03 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 58.94 1j0f h LYS 25 Cb 0.13 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 32.30 1j0f h LYS 25 CO -0.20 -0.01 -0.45 0.43 -0.57 0.00 0.00 179.45 178.65 1j0f n SER 26 N -5.17 -0.77 -0.24 0.86 7.64 0.67 0.14 113.62 116.75 1j0f n SER 26 Ca 0.02 1.71 0.04 0.00 1.01 0.00 0.00 58.87 61.65 1j0f n SER 26 Cb 0.25 -0.33 0.16 0.00 -1.01 0.00 0.00 64.21 63.28 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 0.43 0.54 1.43 4.20 0.15 0.38 115.11 122.25 1j0f h GLN 27 Ca 0.28 -0.03 -0.03 0.00 0.06 0.00 0.00 58.65 58.93 1j0f h GLN 27 Cb 0.52 -0.10 0.01 0.00 0.30 0.00 0.00 27.48 28.21 1j0f h GLN 27 CO -0.95 0.29 -0.26 1.96 -0.67 0.00 0.00 178.83 179.20 1j0f h GLN 28 N 0.45 -0.70 -1.06 1.46 4.20 0.28 0.43 115.11 120.17 1j0f h GLN 28 Ca 0.38 0.05 0.31 0.00 0.06 0.00 0.00 58.65 59.45 1j0f h GLN 28 Cb 0.55 0.16 -0.13 0.00 0.30 0.00 0.00 27.48 28.36 1j0f h GLN 28 CO -0.37 -0.47 0.65 0.77 -0.67 0.00 0.00 178.83 178.74 1j0f h SER 29 N -0.87 0.48 0.58 1.46 0.02 0.59 -0.51 113.55 115.29 1j0f h SER 29 Ca -0.07 0.14 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 1j0f h SER 29 Cb 0.56 0.08 0.01 0.00 0.14 0.00 0.00 62.40 63.18 1j0f h SER 29 CO 0.12 -0.04 -0.28 -0.33 -1.14 0.00 0.00 176.83 175.17 1j0f h GLU 30 N 0.35 -0.74 -0.97 3.45 3.07 -0.09 0.03 114.58 119.68 1j0f h GLU 30 Ca 0.70 0.05 0.12 0.00 -0.50 0.00 0.00 59.36 59.72 1j0f h GLU 30 Cb 1.69 0.17 -0.14 0.00 -0.84 0.00 0.00 28.75 29.64 1j0f h GLU 30 CO -0.47 -0.50 -0.50 0.28 -1.40 0.00 0.00 179.01 176.43 1j0f h VAL 31 N -0.98 0.01 -0.79 3.13 2.07 0.58 1.10 116.25 121.36 1j0f h VAL 31 Ca -0.08 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.52 1j0f h VAL 31 Cb 0.59 0.01 -0.07 0.00 -1.52 0.00 0.00 31.29 30.30 1j0f h VAL 31 CO 0.13 0.00 0.45 0.71 0.02 0.00 0.00 177.57 178.88 1j0f h THR 32 N -0.02 0.94 0.42 2.57 1.35 -1.20 0.30 112.91 117.26 1j0f h THR 32 Ca 0.24 -0.27 -0.01 0.00 -0.55 0.00 0.00 66.41 65.82 1j0f h THR 32 Cb 0.50 0.08 -0.01 0.00 -1.73 0.00 0.00 68.15 66.99 1j0f h THR 32 CO -0.94 0.14 -0.33 -0.09 -0.25 0.00 0.00 175.52 174.06 1j0f h ARG 33 N 0.79 -0.71 -0.49 4.72 2.43 0.30 1.27 114.38 122.69 1j0f h ARG 33 Ca 0.37 0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.63 1j0f h ARG 33 Cb 0.30 0.16 -0.04 0.00 -0.42 0.00 0.00 29.97 29.97 1j0f h ARG 33 CO -0.22 -0.47 0.24 0.82 -1.51 0.00 0.00 179.97 178.83 1j0f h ILE 34 N -0.74 0.96 -0.70 1.20 5.03 0.34 0.63 117.51 124.23 1j0f h ILE 34 Ca -0.04 -0.16 0.00 0.00 -0.12 0.00 0.00 64.86 64.54 1j0f h ILE 34 Cb 0.64 0.43 -0.03 0.00 -3.03 0.00 0.00 36.82 34.83 1j0f h ILE 34 CO -0.01 0.09 0.44 -0.07 -0.68 0.00 0.00 178.15 177.92 1j0f h LEU 35 N 0.48 0.83 0.27 1.44 3.38 -0.02 0.55 115.31 122.24 1j0f h LEU 35 Ca 0.21 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 1j0f h LEU 35 Cb 0.12 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.67 1j0f h LEU 35 CO -0.15 0.63 -0.13 -0.78 0.09 0.00 0.00 178.44 178.10 1j0f h ASP 36 N 0.95 -0.30 -0.82 -0.43 3.58 0.28 0.30 116.42 119.98 1j0f h ASP 36 Ca 0.25 -0.10 0.05 0.00 0.42 0.00 0.00 57.03 57.66 1j0f h ASP 36 Cb -0.06 0.08 -0.06 0.00 1.72 0.00 0.00 39.33 41.01 1j0f h ASP 36 CO -0.05 -0.08 0.51 1.23 -2.88 0.00 0.00 179.24 177.97 1j0f h GLY 37 N -0.51 1.22 2.00 -0.78 0.00 0.53 0.29 103.07 105.81 1j0f h GLY 37 Ca -0.04 -0.38 0.00 0.00 0.00 0.00 0.00 47.33 46.92 1j0f h GLY 37 CO 0.06 0.28 0.00 0.28 0.00 0.00 0.00 176.54 177.16 1j0f n LYS 38 N -4.62 0.01 -3.49 4.80 5.02 0.19 -4.87 118.16 115.20 1j0f n LYS 38 Ca 0.11 0.20 -0.21 0.00 -2.02 0.00 0.00 58.31 56.39 1j0f n LYS 38 Cb 0.14 -1.52 0.08 0.00 -0.02 0.00 0.00 35.03 33.71 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 -1.54 -7.23 -3.20 1.97 5.12 0.10 -4.97 116.66 106.91 1j0f n ARG 39 Ca 0.04 0.78 -0.39 0.00 -1.93 0.00 0.00 57.85 56.36 1j0f n ARG 39 Cb 0.22 -5.67 -0.06 0.00 -1.16 0.00 0.00 32.46 25.78 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 -3.31 4.65 -0.49 0.55 1.01 0.84 -5.02 121.20 119.43 1j0f s ILE 40 Ca 0.43 1.34 -0.28 0.00 0.00 0.00 0.00 60.65 62.14 1j0f s ILE 40 Cb -0.19 -3.96 0.03 0.00 0.01 0.00 0.00 42.46 38.35 1j0f s ILE 40 CO 0.68 0.54 1.11 -1.10 0.00 0.00 0.00 174.94 176.18 1j0f s GLN 41 N -1.09 3.65 0.25 2.79 -0.21 -1.26 -4.73 119.66 119.05 1j0f s GLN 41 Ca 0.31 0.42 -0.09 0.00 0.02 0.00 0.00 55.36 56.02 1j0f s GLN 41 Cb -0.20 -3.93 -0.01 0.00 1.00 0.00 0.00 33.01 29.86 1j0f s GLN 41 CO 0.21 -1.41 0.41 1.52 -2.12 0.00 0.00 175.29 173.89 1j0f s TYR 42 N 4.42 0.64 -0.08 0.91 -0.85 -1.26 -3.33 117.35 117.79 1j0f s TYR 42 Ca 0.45 -0.95 -0.01 0.00 -0.52 0.00 0.00 57.07 56.04 1j0f s TYR 42 Cb -0.08 -0.01 0.03 0.00 0.38 0.00 0.00 41.96 42.28 1j0f s TYR 42 CO 0.30 -0.94 -0.04 -1.14 -1.52 0.00 0.00 175.55 172.21 1j0f s GLN 43 N -3.89 1.02 -0.07 -3.49 0.74 0.35 -4.95 119.66 109.36 1j0f s GLN 43 Ca 0.27 -0.07 -0.30 0.00 0.05 0.00 0.00 55.36 55.32 1j0f s GLN 43 Cb 0.01 -1.21 -0.04 0.00 1.10 0.00 0.00 33.01 32.87 1j0f s GLN 43 CO 0.11 -0.26 1.36 -1.17 -0.55 0.00 0.00 175.29 174.79 1j0f s LEU 44 N 1.73 4.27 -0.08 3.68 1.98 -1.26 -1.35 118.68 127.64 1j0f s LEU 44 Ca 0.03 1.94 -0.01 0.00 -2.89 0.00 0.00 54.13 53.19 1j0f s LEU 44 Cb -0.13 -3.55 -0.03 0.00 0.66 0.00 0.00 46.19 43.14 1j0f s LEU 44 CO -0.06 -0.74 -0.01 -0.69 -1.89 0.00 0.00 176.35 172.96 1j0f s VAL 45 N 3.01 4.21 -0.40 1.68 1.01 0.53 -4.91 120.40 125.54 1j0f s VAL 45 Ca 0.61 -0.29 -0.11 0.00 0.00 0.00 0.00 61.98 62.19 1j0f s VAL 45 Cb -0.27 -2.76 0.05 0.00 0.00 0.00 0.00 36.38 33.39 1j0f s VAL 45 CO 0.22 0.60 0.24 -0.62 0.00 0.00 0.00 175.10 175.55 1j0f s ASP 46 N -0.88 5.75 0.19 3.32 2.15 -1.26 -0.28 116.67 125.65 1j0f s ASP 46 Ca 0.13 -1.18 -0.03 0.00 0.43 0.00 0.00 52.55 51.90 1j0f s ASP 46 Cb -0.11 -2.03 0.09 0.00 -0.30 0.00 0.00 42.92 40.57 1j0f s ASP 46 CO 0.02 -0.46 1.48 0.16 -0.17 0.00 0.00 175.17 176.21 1j0f h ILE 47 N 5.92 1.33 0.00 4.11 3.07 -0.91 -2.56 117.51 128.47 1j0f h ILE 47 Ca -0.25 -1.88 0.00 0.00 1.55 0.00 0.00 64.86 64.28 1j0f h ILE 47 Cb 1.10 1.86 0.00 0.00 -0.27 0.00 0.00 36.82 39.50 1j0f h ILE 47 CO 0.72 0.58 0.04 -1.28 -1.05 0.00 0.00 178.15 177.16 1j0f h SER 48 N 0.39 0.00 0.69 2.16 0.87 -1.91 0.21 113.55 115.96 1j0f h SER 48 Ca -0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 1j0f h SER 48 Cb 1.15 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.10 1j0f h SER 48 CO 0.11 0.00 -0.20 0.06 -0.53 0.00 0.00 176.83 176.27 1j0f h GLN 49 N 0.00 0.00 -1.65 2.24 -0.00 -1.82 -3.41 115.11 110.46 1j0f h GLN 49 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 58.65 58.68 1j0f h GLN 49 Cb 0.08 0.00 -0.23 0.00 -0.00 0.00 0.00 27.48 27.33 1j0f h GLN 49 CO 0.00 0.20 -0.26 0.34 -0.00 0.00 0.00 178.83 179.10 1j0f s ASP 50 N -6.20 -0.94 0.46 0.06 2.15 0.75 -5.01 116.67 107.94 1j0f s ASP 50 Ca -0.01 1.04 0.29 0.00 0.43 0.00 0.00 52.55 54.30 1j0f s ASP 50 Cb 0.11 1.97 1.35 0.00 -0.30 0.00 0.00 42.92 46.06 1j0f s ASP 50 CO 0.62 -0.25 1.72 0.78 -0.17 0.00 0.00 175.17 177.87 1j0f h ASN 51 N 8.05 0.24 -0.34 -0.34 2.35 -1.81 0.42 115.58 124.16 1j0f h ASN 51 Ca -0.20 0.07 0.07 0.00 -0.55 0.00 0.00 56.30 55.70 1j0f h ASN 51 Cb 1.13 0.04 -0.08 0.00 0.05 0.00 0.00 38.32 39.46 1j0f h ASN 51 CO 0.19 -0.02 -0.25 0.00 -1.65 0.00 0.00 177.43 175.70 1j0f h ALA 52 N 1.52 -0.07 -0.74 -0.83 0.00 -1.95 -1.24 119.26 115.94 1j0f h ALA 52 Ca 0.68 0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.79 1j0f h ALA 52 Cb 2.16 0.56 -0.12 0.00 0.00 0.00 0.00 17.79 20.39 1j0f h ALA 52 CO -0.24 -0.65 -0.48 -0.07 0.00 0.00 0.00 179.25 177.81 1j0f h LEU 53 N -0.21 -1.69 -0.91 0.00 3.38 -0.39 0.73 115.31 116.22 1j0f h LEU 53 Ca 0.17 0.28 0.28 0.00 0.09 0.00 0.00 57.88 58.70 1j0f h LEU 53 Cb 0.48 0.77 -0.17 0.00 0.09 0.00 0.00 40.66 41.83 1j0f h LEU 53 CO -0.46 -0.31 0.13 -1.14 0.09 0.00 0.00 178.44 176.75 1j0f n ARG 54 N -5.38 -0.07 0.08 1.13 0.63 -0.48 0.84 116.66 113.41 1j0f n ARG 54 Ca 0.03 1.34 -0.04 0.00 -0.92 0.00 0.00 57.85 58.26 1j0f n ARG 54 Cb 0.34 -2.19 -0.02 0.00 0.45 0.00 0.00 32.46 31.04 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 -0.23 -0.90 6.15 3.58 0.37 -2.62 116.42 122.76 1j0f h ASP 55 Ca 0.60 0.01 0.34 0.00 0.42 0.00 0.00 57.03 58.40 1j0f h ASP 55 Cb 1.35 0.06 -0.16 0.00 1.72 0.00 0.00 39.33 42.30 1j0f h ASP 55 CO -0.82 0.15 0.34 -0.62 -2.88 0.00 0.00 179.24 175.41 1j0f n GLU 56 N -4.47 -0.06 -0.01 0.28 4.71 0.11 0.14 120.64 121.34 1j0f n GLU 56 Ca -0.03 1.28 -0.13 0.00 -0.01 0.00 0.00 57.16 58.27 1j0f n GLU 56 Cb 0.11 -2.21 -0.09 0.00 -1.01 0.00 0.00 31.44 28.24 1j0f n GLU 56 CO 0.00 0.00 0.00 1.98 0.09 0.00 0.00 177.13 179.20 1j0f h MET 57 N 0.00 0.05 -0.49 3.49 4.05 0.38 -1.25 114.93 121.16 1j0f h MET 57 Ca 0.70 -0.02 0.07 0.00 -0.28 0.00 0.00 59.70 60.17 1j0f h MET 57 Cb 1.75 -0.00 -0.06 0.00 -0.80 0.00 0.00 31.60 32.49 1j0f h MET 57 CO -0.74 0.38 0.15 0.00 0.23 0.00 0.00 176.91 176.92 1j0f h ARG 58 N -0.28 0.30 -0.04 0.39 3.08 0.17 0.70 114.38 118.71 1j0f h ARG 58 Ca 0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1j0f h ARG 58 Cb 0.36 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.33 1j0f h ARG 58 CO 0.00 0.20 0.01 1.15 -1.07 0.00 0.00 179.97 180.27 1j0f h THR 59 N 0.31 1.00 0.01 2.04 2.02 -0.67 0.73 112.91 118.34 1j0f h THR 59 Ca 0.24 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.41 1j0f h THR 59 Cb 0.27 0.96 -0.00 0.00 -1.74 0.00 0.00 68.15 67.64 1j0f h THR 59 CO -0.26 0.01 -0.02 -0.07 0.37 0.00 0.00 175.52 175.55 1j0f h LEU 60 N 0.03 -0.04 0.33 2.58 3.38 -0.53 -2.94 115.31 118.12 1j0f h LEU 60 Ca 0.01 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1j0f h LEU 60 Cb 0.00 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1j0f h LEU 60 CO -0.01 -0.03 -0.31 0.00 0.09 0.00 0.00 178.44 178.19 1j0f h ALA 61 N 0.96 -0.66 0.00 1.53 0.00 0.65 -3.47 119.26 118.27 1j0f h ALA 61 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1j0f h ALA 61 Cb 0.04 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1j0f h ALA 61 CO -0.01 -0.90 0.00 0.41 0.00 0.00 0.00 179.25 178.75 1j0f n GLY 62 N -1.42 0.98 3.65 0.00 0.00 0.24 -5.07 105.19 103.56 1j0f n GLY 62 Ca -0.09 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.54 -0.28 0.20 1.61 2.47 -0.31 -5.03 114.94 112.05 1j0f s ASN 63 Ca 0.00 0.47 0.06 0.00 0.42 0.00 0.00 52.86 53.82 1j0f s ASN 63 Cb 0.00 0.95 0.11 0.00 -1.45 0.00 0.00 41.25 40.86 1j0f s ASN 63 CO 0.00 -0.08 1.46 1.55 -3.72 0.00 0.00 177.10 176.31 1j0f h PRO 64 N 5.11 0.10 -1.20 0.43 0.13 -1.98 -3.09 132.00 131.51 1j0f h PRO 64 Ca -0.27 -0.10 -0.42 0.00 -0.87 0.00 0.00 66.00 64.34 1j0f h PRO 64 Cb 1.18 0.03 -0.20 0.00 0.13 0.00 0.00 31.00 32.13 1j0f h PRO 64 CO 0.20 0.83 0.54 1.63 -0.23 0.00 0.00 178.00 180.96 1j0f n LYS 65 N -3.68 2.03 -2.93 0.86 4.01 -1.26 -4.93 118.16 112.26 1j0f n LYS 65 Ca -0.02 -2.16 -0.29 0.00 -0.51 0.00 0.00 58.31 55.33 1j0f n LYS 65 Cb 0.74 -1.85 -0.02 0.00 -0.51 0.00 0.00 35.03 33.39 1j0f n LYS 65 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1j0f s ALA 66 N -2.46 3.45 0.09 7.82 0.00 -1.17 -5.10 121.76 124.38 1j0f s ALA 66 Ca 0.42 -0.41 -0.06 0.00 0.00 0.00 0.00 51.96 51.91 1j0f s ALA 66 Cb 0.34 -2.54 -0.02 0.00 0.00 0.00 0.00 23.12 20.90 1j0f s ALA 66 CO 0.02 -0.05 0.12 0.95 0.00 0.00 0.00 175.76 176.81 1j0f s THR 67 N -2.41 0.15 0.85 0.00 -4.23 -1.26 -4.93 115.64 103.81 1j0f s THR 67 Ca 0.48 -1.45 -0.12 0.00 -1.18 0.00 0.00 61.69 59.42 1j0f s THR 67 Cb -0.10 -1.51 0.10 0.00 1.34 0.00 0.00 72.50 72.33 1j0f s THR 67 CO 0.35 -0.70 1.11 -2.16 -0.54 0.00 0.00 174.62 172.69 1j0f s PRO 68 N -3.91 1.67 0.55 3.99 0.04 -1.26 -4.68 135.00 131.41 1j0f s PRO 68 Ca 0.08 0.48 -0.09 0.00 0.04 0.00 0.00 61.00 61.52 1j0f s PRO 68 Cb 0.06 -1.88 0.13 0.00 0.04 0.00 0.00 34.50 32.85 1j0f s PRO 68 CO -0.08 -1.87 0.61 -0.35 0.04 0.00 0.00 177.00 175.34 1j0f n PRO 69 N -3.58 -1.36 -3.41 0.56 -0.04 -1.26 -4.87 135.00 121.04 1j0f n PRO 69 Ca 0.07 -0.95 -0.02 0.00 -0.04 0.00 0.00 63.50 62.56 1j0f n PRO 69 Cb 0.58 -0.75 -0.05 0.00 -0.04 0.00 0.00 33.50 33.24 1j0f n PRO 69 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 1j0f s GLN 70 N -4.35 0.49 -0.09 0.54 2.00 -1.08 -4.20 119.66 112.97 1j0f s GLN 70 Ca 0.37 1.05 -0.22 0.00 -2.00 0.00 0.00 55.36 54.56 1j0f s GLN 70 Cb -0.02 0.41 -0.04 0.00 0.80 0.00 0.00 33.01 34.16 1j0f s GLN 70 CO 0.27 -0.45 0.63 0.42 -0.50 0.00 0.00 175.29 175.66 1j0f s ILE 71 N 2.77 5.09 0.01 -2.34 1.09 -0.64 -1.15 121.20 126.03 1j0f s ILE 71 Ca 0.08 1.28 0.03 0.00 -1.10 0.00 0.00 60.65 60.94 1j0f s ILE 71 Cb -0.14 -3.97 -0.01 0.00 -1.06 0.00 0.00 42.46 37.29 1j0f s ILE 71 CO -0.18 0.26 -0.08 -0.69 -0.10 0.00 0.00 174.94 174.15 1j0f s VAL 72 N 0.85 0.64 -0.31 2.92 1.01 0.02 -1.70 120.40 123.82 1j0f s VAL 72 Ca 0.33 -0.53 0.02 0.00 0.00 0.00 0.00 61.98 61.80 1j0f s VAL 72 Cb -0.17 -0.58 0.08 0.00 0.00 0.00 0.00 36.38 35.71 1j0f s VAL 72 CO 0.15 0.05 -0.00 0.21 0.00 0.00 0.00 175.10 175.51 1j0f s ASN 73 N -0.53 4.74 0.00 3.32 3.84 0.19 0.17 114.94 126.66 1j0f s ASN 73 Ca 0.01 -1.67 0.00 0.00 0.21 0.00 0.00 52.86 51.41 1j0f s ASN 73 Cb -0.05 -1.64 0.00 0.00 -0.55 0.00 0.00 41.25 39.01 1j0f s ASN 73 CO 0.00 -0.30 0.00 0.61 -2.79 0.00 0.00 177.10 174.62 1j0f n GLY 74 N 4.44 0.25 0.00 1.21 0.00 0.12 0.17 105.19 111.38 1j0f n GLY 74 Ca -0.07 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.64 1j0f n GLY 74 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1j0f n ASN 75 N 1.72 0.67 -4.90 1.61 6.94 -1.26 -4.98 115.26 115.06 1j0f n ASN 75 Ca 0.00 -1.33 -0.24 0.00 -0.02 0.00 0.00 54.58 53.00 1j0f n ASN 75 Cb 0.00 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 37.39 1j0f n ASN 75 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 1j0f s HIS 76 N -0.33 3.34 -0.37 -2.53 3.76 0.45 -5.09 115.29 114.53 1j0f s HIS 76 Ca 0.00 0.01 -0.04 0.00 -0.15 0.00 0.00 55.06 54.88 1j0f s HIS 76 Cb 0.00 -1.56 0.08 0.00 1.11 0.00 0.00 32.58 32.21 1j0f s HIS 76 CO 0.00 0.50 0.15 -0.47 -0.85 0.00 0.00 174.74 174.06 1j0f s TYR 77 N -1.88 3.42 0.01 1.40 5.04 -1.26 -0.64 117.35 123.43 1j0f s TYR 77 Ca 0.33 -1.99 -0.10 0.00 -2.44 0.00 0.00 57.07 52.87 1j0f s TYR 77 Cb -0.10 -2.76 -0.06 0.00 0.35 0.00 0.00 41.96 39.40 1j0f s TYR 77 CO 0.27 -0.87 1.03 0.00 -1.34 0.00 0.00 175.55 174.63 1j0f n GLY 79 N -0.81 -0.50 3.89 0.00 0.00 -1.15 -4.96 105.19 101.66 1j0f n GLY 79 Ca -0.05 -1.00 -0.21 0.00 0.00 0.00 0.00 46.02 44.77 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 5.03 0.31 1.61 -4.77 -1.26 -1.62 116.67 111.97 1j0f s ASP 80 Ca 0.00 -0.79 0.05 0.00 -3.30 0.00 0.00 52.55 48.51 1j0f s ASP 80 Cb 0.00 -0.41 0.83 0.00 -1.09 0.00 0.00 42.92 42.25 1j0f s ASP 80 CO 0.00 -0.75 1.62 0.22 0.70 0.00 0.00 175.17 176.96 1j0f h TYR 81 N 0.93 0.37 0.11 2.11 5.03 -1.92 0.25 116.97 123.85 1j0f h TYR 81 Ca -0.40 0.05 0.01 0.00 2.58 0.00 0.00 58.73 60.97 1j0f h TYR 81 Cb 1.27 -0.01 -0.04 0.00 1.55 0.00 0.00 36.73 39.50 1j0f h TYR 81 CO 0.56 -0.29 -0.41 0.93 -1.32 0.00 0.00 178.16 177.62 1j0f h GLU 82 N 0.15 -0.57 -0.66 1.82 5.08 -1.95 0.43 114.58 118.88 1j0f h GLU 82 Ca 0.62 0.04 0.12 0.00 -1.00 0.00 0.00 59.36 59.14 1j0f h GLU 82 Cb 1.33 0.13 -0.09 0.00 0.50 0.00 0.00 28.75 30.62 1j0f h GLU 82 CO -0.72 -0.38 0.20 -0.07 -1.00 0.00 0.00 179.01 177.03 1j0f h LEU 83 N -0.60 0.12 -0.06 1.33 4.07 -1.41 0.12 115.31 118.88 1j0f h LEU 83 Ca -0.01 0.11 0.04 0.00 0.08 0.00 0.00 57.88 58.10 1j0f h LEU 83 Cb 0.60 0.12 -0.05 0.00 1.08 0.00 0.00 40.66 42.41 1j0f h LEU 83 CO -0.22 0.05 -0.24 0.15 -1.08 0.00 0.00 178.44 177.10 1j0f h PHE 84 N 0.34 -0.66 -0.25 1.13 3.57 -0.11 -0.13 116.94 120.83 1j0f h PHE 84 Ca 0.35 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.92 1j0f h PHE 84 Cb 0.52 0.30 -0.04 0.00 2.79 0.00 0.00 35.95 39.53 1j0f h PHE 84 CO -0.21 -0.33 0.03 -0.24 -2.23 0.00 0.00 178.31 175.32 1j0f h VAL 85 N -0.35 0.86 -0.49 1.41 3.04 0.96 0.46 116.25 122.14 1j0f h VAL 85 Ca 0.08 -0.04 0.10 0.00 -1.01 0.00 0.00 66.70 65.83 1j0f h VAL 85 Cb 0.46 0.73 -0.10 0.00 -2.01 0.00 0.00 31.29 30.37 1j0f h VAL 85 CO -0.26 0.02 -0.23 -0.08 -1.01 0.00 0.00 177.57 176.01 1j0f h GLU 86 N 0.12 -0.12 0.73 4.17 4.81 -0.12 0.78 114.58 124.95 1j0f h GLU 86 Ca 0.12 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.32 1j0f h GLU 86 Cb 0.13 0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.55 1j0f h GLU 86 CO -0.17 -0.08 -0.35 0.00 -0.73 0.00 0.00 179.01 177.68 1j0f h ALA 87 N 1.18 -0.98 -0.93 2.92 0.00 -0.43 -0.48 119.26 120.53 1j0f h ALA 87 Ca 0.23 -0.22 0.23 0.00 0.00 0.00 0.00 54.91 55.15 1j0f h ALA 87 Cb 0.48 0.38 -0.17 0.00 0.00 0.00 0.00 17.79 18.48 1j0f h ALA 87 CO -0.57 -0.94 -0.02 0.28 0.00 0.00 0.00 179.25 178.00 1j0f h VAL 88 N -1.21 0.11 0.83 0.00 2.07 0.44 1.46 116.25 119.94 1j0f h VAL 88 Ca -0.10 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 1j0f h VAL 88 Cb 0.77 0.07 0.01 0.00 -1.52 0.00 0.00 31.29 30.62 1j0f h VAL 88 CO 0.17 0.01 -0.40 -0.33 0.02 0.00 0.00 177.57 177.03 1j0f h GLU 89 N 0.04 -1.07 0.00 1.57 4.39 0.70 -1.57 114.58 118.63 1j0f h GLU 89 Ca 0.53 0.07 0.00 0.00 0.34 0.00 0.00 59.36 60.30 1j0f h GLU 89 Cb 1.01 0.24 0.00 0.00 -0.10 0.00 0.00 28.75 29.91 1j0f h GLU 89 CO -0.87 -0.71 0.00 1.04 -1.16 0.00 0.00 179.01 177.31 1j0f n GLN 90 N -5.57 0.12 -0.97 2.33 1.13 0.55 -4.78 117.38 110.19 1j0f n GLN 90 Ca -0.15 0.57 0.00 0.00 -1.94 0.00 0.00 57.00 55.48 1j0f n GLN 90 Cb 0.45 -1.85 0.00 0.00 0.11 0.00 0.00 30.24 28.94 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 -2.10 -2.90 -2.67 1.08 -0.08 0.47 -4.92 116.55 105.42 1j0f n ASP 91 Ca -0.01 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 52.91 1j0f n ASP 91 Cb 0.06 -0.48 0.05 0.00 2.34 0.00 0.00 41.12 43.08 1j0f n ASP 91 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1j0f n THR 92 N -2.97 3.43 0.13 5.18 -2.24 -0.01 -4.57 114.28 113.24 1j0f n THR 92 Ca 0.00 -4.00 -0.01 0.00 -2.27 0.00 0.00 64.05 57.77 1j0f n THR 92 Cb 0.00 -1.22 0.13 0.00 -2.10 0.00 0.00 70.33 67.14 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 2.65 0.00 -0.70 3.22 5.85 -1.87 -2.37 115.31 122.09 1j0f h LEU 93 Ca 0.54 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 59.13 1j0f h LEU 93 Cb 0.40 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 1j0f h LEU 93 CO 1.39 0.66 -0.48 1.56 -0.34 0.00 0.00 178.44 181.22 1j0f h GLN 94 N 0.00 0.40 0.15 1.25 4.20 -1.92 -2.73 115.11 116.47 1j0f h GLN 94 Ca -0.01 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.47 1j0f h GLN 94 Cb 1.21 0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.00 1j0f h GLN 94 CO 0.09 0.80 -0.07 0.93 -0.67 0.00 0.00 178.83 179.90 1j0f h GLU 95 N 0.32 -0.20 -0.54 1.46 5.08 -1.83 -2.40 114.58 116.47 1j0f h GLU 95 Ca 0.02 0.01 0.10 0.00 -1.00 0.00 0.00 59.36 58.49 1j0f h GLU 95 Cb 0.97 0.05 -0.11 0.00 0.50 0.00 0.00 28.75 30.16 1j0f h GLU 95 CO 0.08 0.24 -0.29 0.35 -1.00 0.00 0.00 179.01 178.39 1j0f h PHE 96 N -0.77 -0.78 -3.27 4.33 3.57 -1.45 -3.42 116.94 115.16 1j0f h PHE 96 Ca -0.02 0.06 -0.35 0.00 3.53 0.00 0.00 57.97 61.19 1j0f h PHE 96 Cb 0.53 0.42 0.17 0.00 2.79 0.00 0.00 35.95 39.85 1j0f h PHE 96 CO 0.08 -0.36 0.18 1.28 -2.23 0.00 0.00 178.31 177.27 1j0f n LEU 97 N -5.43 0.00 -2.69 0.59 4.77 -1.03 -4.83 117.00 108.38 1j0f n LEU 97 Ca 0.04 -1.09 -0.33 0.00 -0.03 0.00 0.00 56.01 54.60 1j0f n LEU 97 Cb 0.34 -0.88 -0.01 0.00 -2.33 0.00 0.00 43.42 40.55 1j0f n LEU 97 CO 0.04 -1.80 1.56 1.17 -1.33 0.00 0.00 177.39 177.02 1j0f n LYS 98 N -4.11 2.56 -0.13 3.23 3.00 -1.26 -4.31 118.16 117.15 1j0f n LYS 98 Ca 0.14 -2.92 -0.26 0.00 -0.00 0.00 0.00 58.31 55.27 1j0f n LYS 98 Cb 0.51 -2.20 -0.09 0.00 0.00 0.00 0.00 35.03 33.25 1j0f n LYS 98 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1j0f n LEU 99 N 0.15 1.93 0.00 3.14 4.77 -1.21 -5.06 117.00 120.73 1j0f n LEU 99 Ca 0.51 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.74 1j0f n LEU 99 Cb 0.40 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 1j0f n LEU 99 CO 0.43 0.57 0.00 0.00 -1.33 0.00 0.00 177.39 177.06