#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 3.65 -0.22 1.61 0.15 -1.26 -5.09 113.70 112.55 1j0f s SER 2 Ca 0.00 -0.90 0.01 0.00 0.70 0.00 0.00 55.95 55.77 1j0f s SER 2 Cb 0.00 -1.52 0.05 0.00 -1.71 0.00 0.00 66.02 62.84 1j0f s SER 2 CO 0.00 -0.07 -0.12 -1.61 1.20 0.00 0.00 173.24 172.64 1j0f s GLU 3 N 1.24 2.21 0.50 5.44 8.01 -1.26 -5.11 118.70 129.72 1j0f s GLU 3 Ca 0.00 -0.99 -0.20 0.00 0.01 0.00 0.00 54.97 53.79 1j0f s GLU 3 Cb -0.15 -2.59 -0.08 0.00 -4.31 0.00 0.00 34.13 27.00 1j0f s GLU 3 CO -0.10 -0.45 1.06 0.20 0.01 0.00 0.00 175.26 175.99 1j0f s GLY 4 N 1.30 2.53 -0.29 -1.39 0.00 -1.26 -5.05 107.32 103.16 1j0f s GLY 4 Ca -0.03 0.65 -0.20 0.00 0.00 0.00 0.00 44.72 45.15 1j0f s GLY 4 CO -0.08 0.98 1.24 0.00 0.00 0.00 0.00 173.10 175.24 1j0f s ALA 5 N -1.94 -2.39 0.85 3.20 0.00 -1.26 -4.91 121.76 115.31 1j0f s ALA 5 Ca 0.68 1.92 -0.12 0.00 0.00 0.00 0.00 51.96 54.45 1j0f s ALA 5 Cb -0.18 -1.82 0.10 0.00 0.00 0.00 0.00 23.12 21.22 1j0f s ALA 5 CO 0.22 -0.25 1.11 0.00 0.00 0.00 0.00 175.76 176.83 1j0f s ALA 6 N 0.71 1.97 0.05 0.00 0.00 -1.16 -5.02 121.76 118.31 1j0f s ALA 6 Ca -0.02 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.67 1j0f s ALA 6 Cb -0.04 -3.10 0.00 0.00 0.00 0.00 0.00 23.12 19.98 1j0f s ALA 6 CO -0.12 -2.01 0.00 2.41 0.00 0.00 0.00 175.76 176.04 1j0f n THR 7 N -3.61 0.08 -1.90 0.00 -1.04 -1.26 -4.96 114.28 101.57 1j0f n THR 7 Ca 0.07 0.03 -0.34 0.00 -2.04 0.00 0.00 64.05 61.76 1j0f n THR 7 Cb 0.57 -0.42 -0.04 0.00 -1.82 0.00 0.00 70.33 68.62 1j0f n THR 7 CO 0.00 0.00 0.00 -0.32 -0.64 0.00 0.00 175.07 174.11 1j0f s MET 8 N -1.19 2.43 0.25 -2.82 1.75 -1.26 -4.89 119.30 113.56 1j0f s MET 8 Ca 0.00 0.63 0.05 0.00 -1.25 0.00 0.00 55.69 55.12 1j0f s MET 8 Cb 0.00 -4.57 -0.05 0.00 2.84 0.00 0.00 34.83 33.05 1j0f s MET 8 CO 0.00 -3.07 -0.02 -1.12 -0.65 0.00 0.00 175.02 170.15 1j0f s SER 9 N 9.19 2.16 -0.92 1.11 0.01 -1.26 -5.08 113.70 118.91 1j0f s SER 9 Ca 0.76 -1.21 -0.00 0.00 1.31 0.00 0.00 55.95 56.81 1j0f s SER 9 Cb -0.13 -0.05 0.29 0.00 0.21 0.00 0.00 66.02 66.34 1j0f s SER 9 CO 0.18 -0.45 1.25 0.61 0.41 0.00 0.00 173.24 175.23 1j0f n GLY 10 N -0.48 5.14 3.72 3.44 0.00 -1.26 -4.87 105.19 110.89 1j0f n GLY 10 Ca -0.05 -2.70 -0.42 0.00 0.00 0.00 0.00 46.02 42.85 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 -2.82 4.42 -0.06 0.99 1.98 -1.24 -0.89 118.68 121.06 1j0f s LEU 11 Ca 0.35 2.07 0.01 0.00 -2.89 0.00 0.00 54.13 53.68 1j0f s LEU 11 Cb 0.10 -3.59 0.02 0.00 0.66 0.00 0.00 46.19 43.38 1j0f s LEU 11 CO 0.05 -0.38 -0.08 -0.13 -1.89 0.00 0.00 176.35 173.92 1j0f s ARG 12 N 0.42 1.27 -0.47 1.98 0.52 0.10 -0.58 118.95 122.19 1j0f s ARG 12 Ca 0.55 -0.24 -0.07 0.00 -0.52 0.00 0.00 55.73 55.44 1j0f s ARG 12 Cb -0.30 -1.17 0.12 0.00 0.52 0.00 0.00 34.95 34.12 1j0f s ARG 12 CO 0.32 -0.07 0.32 0.08 0.02 0.00 0.00 175.30 175.98 1j0f s VAL 13 N 0.95 3.96 -0.47 3.52 1.01 -0.29 -0.79 120.40 128.29 1j0f s VAL 13 Ca -0.10 -1.95 -0.28 0.00 0.00 0.00 0.00 61.98 59.65 1j0f s VAL 13 Cb -0.15 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.60 1j0f s VAL 13 CO 0.00 -0.77 1.54 -0.31 0.00 0.00 0.00 175.10 175.57 1j0f s TYR 14 N 1.18 2.15 0.49 5.22 1.51 0.30 -0.73 117.35 127.47 1j0f s TYR 14 Ca 0.07 0.61 0.02 0.00 -1.01 0.00 0.00 57.07 56.76 1j0f s TYR 14 Cb -0.25 -4.28 -0.01 0.00 -0.11 0.00 0.00 41.96 37.32 1j0f s TYR 14 CO -0.02 -2.21 0.04 -1.54 -1.11 0.00 0.00 175.55 170.71 1j0f s SER 15 N 5.05 3.78 0.06 2.29 1.04 -0.08 -2.47 113.70 123.36 1j0f s SER 15 Ca 0.63 -1.68 -0.02 0.00 0.48 0.00 0.00 55.95 55.35 1j0f s SER 15 Cb -0.14 0.57 -0.04 0.00 0.10 0.00 0.00 66.02 66.51 1j0f s SER 15 CO 0.29 -0.90 -0.00 0.28 0.98 0.00 0.00 173.24 173.89 1j0f s THR 16 N -2.97 0.21 -0.07 2.02 -1.32 -1.26 0.19 115.64 112.43 1j0f s THR 16 Ca 0.09 -1.73 0.01 0.00 -1.21 0.00 0.00 61.69 58.85 1j0f s THR 16 Cb 0.01 -1.50 -0.05 0.00 -1.51 0.00 0.00 72.50 69.45 1j0f s THR 16 CO 0.06 -0.95 -0.06 -0.24 -2.21 0.00 0.00 174.62 171.22 1j0f n SER 17 N 0.09 3.45 -4.41 8.08 2.88 -1.26 -4.82 113.62 117.63 1j0f n SER 17 Ca -0.14 -0.04 -0.45 0.00 -1.33 0.00 0.00 58.87 56.92 1j0f n SER 17 Cb 0.61 -0.05 -0.00 0.00 -0.75 0.00 0.00 64.21 64.02 1j0f n SER 17 CO 0.00 0.00 0.00 -0.69 -1.23 0.00 0.00 175.04 173.12 1j0f s VAL 18 N -2.14 5.41 -0.07 2.46 1.01 -1.26 -4.93 120.40 120.87 1j0f s VAL 18 Ca -0.09 -2.86 -0.02 0.00 0.00 0.00 0.00 61.98 59.01 1j0f s VAL 18 Cb 0.02 -4.77 0.04 0.00 0.00 0.00 0.00 36.38 31.67 1j0f s VAL 18 CO 0.17 -1.42 0.06 0.28 0.00 0.00 0.00 175.10 174.19 1j0f s THR 19 N 0.51 -0.03 -1.32 3.92 -1.32 -1.26 -5.01 115.64 111.13 1j0f s THR 19 Ca 0.36 0.25 -0.06 0.00 -1.21 0.00 0.00 61.69 61.03 1j0f s THR 19 Cb -0.06 -0.30 0.12 0.00 -1.51 0.00 0.00 72.50 70.75 1j0f s THR 19 CO -0.04 0.09 2.29 0.61 -2.21 0.00 0.00 174.62 175.36 1j0f n GLY 20 N 5.27 5.08 1.20 6.08 0.00 -1.26 -4.12 105.19 117.43 1j0f n GLY 20 Ca -0.04 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.93 1j0f n GLY 20 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1j0f n SER 21 N 2.29 0.40 0.00 1.61 7.64 -1.26 -5.03 113.62 119.28 1j0f n SER 21 Ca 0.58 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.46 1j0f n SER 21 Cb 0.27 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.47 1j0f n SER 21 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1j0f n ARG 22 N -2.60 0.00 -0.11 1.43 3.00 -1.26 -4.63 116.66 112.49 1j0f n ARG 22 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 57.74 1j0f n ARG 22 Cb 0.25 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.68 1j0f n ARG 22 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 1j0f h GLU 23 N 0.00 0.60 -0.12 -0.14 5.08 -1.95 -2.64 114.58 115.41 1j0f h GLU 23 Ca 0.00 -0.20 0.04 0.00 -1.00 0.00 0.00 59.36 58.20 1j0f h GLU 23 Cb 0.00 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.16 1j0f h GLU 23 CO 0.00 0.74 -0.15 0.82 -1.00 0.00 0.00 179.01 179.42 1j0f h ILE 24 N 0.40 0.59 -0.36 3.13 2.04 -1.90 -2.01 117.51 119.41 1j0f h ILE 24 Ca 0.09 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.02 1j0f h ILE 24 Cb 0.49 0.59 -0.09 0.00 -0.74 0.00 0.00 36.82 37.07 1j0f h ILE 24 CO 0.02 0.00 -0.35 0.11 0.00 0.00 0.00 178.15 177.93 1j0f h LYS 25 N -0.19 -0.28 -0.71 2.37 1.57 -1.89 -0.36 116.57 117.07 1j0f h LYS 25 Ca 0.09 0.02 0.11 0.00 -1.87 0.00 0.00 60.65 59.00 1j0f h LYS 25 Cb 0.33 0.06 -0.12 0.00 0.08 0.00 0.00 32.23 32.58 1j0f h LYS 25 CO -0.24 -0.19 -0.38 1.03 -0.57 0.00 0.00 179.45 179.11 1j0f h SER 26 N -0.30 -1.33 -0.67 0.86 0.87 -1.01 0.70 113.55 112.67 1j0f h SER 26 Ca 0.15 0.26 0.12 0.00 -1.23 0.00 0.00 61.79 61.09 1j0f h SER 26 Cb 0.55 0.66 -0.09 0.00 -0.44 0.00 0.00 62.40 63.08 1j0f h SER 26 CO -0.52 -0.30 0.22 1.56 -0.53 0.00 0.00 176.83 177.26 1j0f h GLN 27 N -0.13 0.36 -0.30 2.24 4.20 -0.45 0.56 115.11 121.59 1j0f h GLN 27 Ca 0.25 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.93 1j0f h GLN 27 Cb 0.56 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.25 1j0f h GLN 27 CO -0.77 0.24 0.14 1.96 -0.67 0.00 0.00 178.83 179.73 1j0f h GLN 28 N 0.37 0.44 -0.71 1.46 4.20 0.13 0.16 115.11 121.15 1j0f h GLN 28 Ca 0.35 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.99 1j0f h GLN 28 Cb 0.51 -0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.18 1j0f h GLN 28 CO -0.38 0.42 0.44 0.77 -0.67 0.00 0.00 178.83 179.42 1j0f h SER 29 N 0.34 0.84 0.54 1.46 0.02 0.16 -1.65 113.55 115.26 1j0f h SER 29 Ca 0.10 -0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 60.98 1j0f h SER 29 Cb 0.14 -0.21 0.01 0.00 0.14 0.00 0.00 62.40 62.47 1j0f h SER 29 CO -0.01 0.64 -0.26 -0.33 -1.14 0.00 0.00 176.83 175.73 1j0f h GLU 30 N 0.96 -0.69 -0.97 3.45 5.08 0.38 0.21 114.58 123.00 1j0f h GLU 30 Ca 0.26 0.05 0.11 0.00 -1.00 0.00 0.00 59.36 58.78 1j0f h GLU 30 Cb -0.06 0.16 -0.13 0.00 0.50 0.00 0.00 28.75 29.21 1j0f h GLU 30 CO -0.05 -0.46 -0.51 0.28 -1.00 0.00 0.00 179.01 177.26 1j0f h VAL 31 N -0.75 0.00 -0.73 3.13 2.07 -0.93 0.97 116.25 120.02 1j0f h VAL 31 Ca -0.07 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.54 1j0f h VAL 31 Cb 0.55 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.25 1j0f h VAL 31 CO 0.12 0.00 0.37 0.71 0.02 0.00 0.00 177.57 178.79 1j0f h THR 32 N -0.02 0.85 0.27 2.57 1.35 -1.26 0.12 112.91 116.79 1j0f h THR 32 Ca 0.23 -0.21 0.01 0.00 -0.55 0.00 0.00 66.41 65.88 1j0f h THR 32 Cb 0.49 0.17 -0.04 0.00 -1.73 0.00 0.00 68.15 67.04 1j0f h THR 32 CO -0.94 0.11 -0.45 -0.09 -0.25 0.00 0.00 175.52 173.91 1j0f h ARG 33 N 0.63 -0.75 -0.17 4.72 1.12 0.42 0.62 114.38 120.97 1j0f h ARG 33 Ca 0.36 0.05 0.04 0.00 -1.11 0.00 0.00 59.98 59.32 1j0f h ARG 33 Cb 0.38 0.17 -0.04 0.00 -0.01 0.00 0.00 29.97 30.46 1j0f h ARG 33 CO -0.27 -0.50 -0.11 0.82 -3.11 0.00 0.00 179.97 176.80 1j0f h ILE 34 N -0.78 0.68 -0.87 1.20 2.04 -0.16 -0.32 117.51 119.30 1j0f h ILE 34 Ca -0.01 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.00 1j0f h ILE 34 Cb 0.74 0.68 -0.09 0.00 -0.74 0.00 0.00 36.82 37.41 1j0f h ILE 34 CO -0.17 0.00 0.46 -0.07 0.00 0.00 0.00 178.15 178.38 1j0f h LEU 35 N -0.10 0.58 -0.55 1.44 3.38 -0.32 0.97 115.31 120.70 1j0f h LEU 35 Ca 0.10 0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.18 1j0f h LEU 35 Cb 0.25 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 1j0f h LEU 35 CO -0.23 0.24 0.33 0.44 0.09 0.00 0.00 178.44 179.31 1j0f h ASP 36 N 0.66 0.54 -0.27 -0.43 3.32 0.18 0.35 116.42 120.76 1j0f h ASP 36 Ca 0.48 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.42 1j0f h ASP 36 Cb 0.67 -0.11 -0.00 0.00 0.22 0.00 0.00 39.33 40.10 1j0f h ASP 36 CO -0.36 0.38 -0.26 1.23 -1.72 0.00 0.00 179.24 178.51 1j0f h GLY 37 N 0.66 0.72 2.00 2.75 0.00 0.80 -2.50 103.07 107.50 1j0f h GLY 37 Ca 0.22 -0.73 0.00 0.00 0.00 0.00 0.00 47.33 46.82 1j0f h GLY 37 CO -0.10 0.66 0.00 0.50 0.00 0.00 0.00 176.54 177.61 1j0f h LYS 38 N 0.40 0.00 -5.35 4.80 1.57 0.12 -3.45 116.57 114.65 1j0f h LYS 38 Ca 0.04 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.46 1j0f h LYS 38 Cb 0.83 0.00 0.13 0.00 0.08 0.00 0.00 32.23 33.26 1j0f h LYS 38 CO 0.07 0.00 -0.61 0.54 -0.57 0.00 0.00 179.45 178.87 1j0f n ARG 39 N -2.35 -7.19 -3.34 3.15 5.12 0.06 -4.97 116.66 107.13 1j0f n ARG 39 Ca -0.01 0.75 -0.38 0.00 -1.93 0.00 0.00 57.85 56.28 1j0f n ARG 39 Cb 0.10 -5.55 -0.06 0.00 -1.16 0.00 0.00 32.46 25.79 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 -3.29 4.93 -0.45 0.55 1.01 -0.86 -5.02 121.20 118.06 1j0f s ILE 40 Ca 0.53 1.06 -0.29 0.00 0.00 0.00 0.00 60.65 61.95 1j0f s ILE 40 Cb -0.23 -3.83 0.03 0.00 0.01 0.00 0.00 42.46 38.43 1j0f s ILE 40 CO 0.65 0.51 1.16 -1.10 0.00 0.00 0.00 174.94 176.16 1j0f s GLN 41 N -0.69 3.75 0.25 2.79 -1.52 -1.26 -4.82 119.66 118.16 1j0f s GLN 41 Ca 0.27 0.66 -0.05 0.00 -1.95 0.00 0.00 55.36 54.29 1j0f s GLN 41 Cb -0.18 -3.90 -0.02 0.00 -0.22 0.00 0.00 33.01 28.69 1j0f s GLN 41 CO 0.16 -1.35 0.31 1.52 -0.25 0.00 0.00 175.29 175.68 1j0f s TYR 42 N 4.46 0.93 -0.06 0.91 -0.85 -1.26 -3.59 117.35 117.89 1j0f s TYR 42 Ca 0.49 -1.17 0.01 0.00 -0.52 0.00 0.00 57.07 55.88 1j0f s TYR 42 Cb -0.08 -0.25 0.02 0.00 0.38 0.00 0.00 41.96 42.03 1j0f s TYR 42 CO 0.30 -0.85 -0.06 -1.14 -1.52 0.00 0.00 175.55 172.28 1j0f s GLN 43 N -3.89 1.02 -0.33 -3.49 0.74 0.26 -4.97 119.66 109.00 1j0f s GLN 43 Ca 0.32 -0.15 -0.29 0.00 0.05 0.00 0.00 55.36 55.29 1j0f s GLN 43 Cb 0.03 -1.01 -0.00 0.00 1.10 0.00 0.00 33.01 33.13 1j0f s GLN 43 CO 0.14 -0.09 1.41 -1.17 -0.55 0.00 0.00 175.29 175.02 1j0f s LEU 44 N 1.02 3.76 -0.52 3.68 2.96 -1.26 -1.13 118.68 127.19 1j0f s LEU 44 Ca -0.09 1.15 -0.12 0.00 -0.22 0.00 0.00 54.13 54.84 1j0f s LEU 44 Cb -0.14 -3.54 0.13 0.00 0.50 0.00 0.00 46.19 43.14 1j0f s LEU 44 CO -0.00 -1.26 0.43 -0.69 -1.32 0.00 0.00 176.35 173.51 1j0f s VAL 45 N 4.99 4.71 -0.42 1.68 1.01 0.09 -4.93 120.40 127.53 1j0f s VAL 45 Ca 0.62 -1.70 -0.28 0.00 0.00 0.00 0.00 61.98 60.62 1j0f s VAL 45 Cb -0.17 -4.06 -0.00 0.00 0.00 0.00 0.00 36.38 32.15 1j0f s VAL 45 CO 0.28 -0.83 1.62 -0.62 0.00 0.00 0.00 175.10 175.55 1j0f s ASP 46 N 3.06 6.00 0.07 3.32 -1.08 -1.26 -0.91 116.67 125.88 1j0f s ASP 46 Ca 0.05 0.89 -0.22 0.00 -0.52 0.00 0.00 52.55 52.75 1j0f s ASP 46 Cb -0.27 -2.53 -0.13 0.00 -1.46 0.00 0.00 42.92 38.52 1j0f s ASP 46 CO 0.01 -1.69 1.60 0.16 0.52 0.00 0.00 175.17 175.77 1j0f h ILE 47 N 6.64 1.15 -0.84 4.11 3.07 0.17 -2.93 117.51 128.89 1j0f h ILE 47 Ca -0.30 -0.44 0.15 0.00 1.55 0.00 0.00 64.86 65.82 1j0f h ILE 47 Cb 1.14 1.26 -0.15 0.00 -0.27 0.00 0.00 36.82 38.80 1j0f h ILE 47 CO 1.09 0.13 -0.30 -1.28 -1.05 0.00 0.00 178.15 176.74 1j0f h SER 48 N -0.00 -1.09 -0.91 2.16 0.87 -1.90 0.32 113.55 113.01 1j0f h SER 48 Ca 0.03 0.27 0.08 0.00 -1.23 0.00 0.00 61.79 60.94 1j0f h SER 48 Cb 0.17 0.61 -0.11 0.00 -0.44 0.00 0.00 62.40 62.64 1j0f h SER 48 CO -0.00 -0.29 -0.54 0.00 -0.53 0.00 0.00 176.83 175.47 1j0f n GLN 49 N -5.50 -0.40 -3.94 2.24 1.13 -1.11 -3.82 117.38 105.99 1j0f n GLN 49 Ca 0.10 1.40 -0.35 0.00 -1.94 0.00 0.00 57.00 56.21 1j0f n GLN 49 Cb 0.41 -2.05 -0.14 0.00 0.11 0.00 0.00 30.24 28.56 1j0f n GLN 49 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1j0f s ASP 50 N -5.40 4.48 0.32 1.08 2.15 0.10 -4.97 116.67 114.44 1j0f s ASP 50 Ca -0.11 -0.94 0.08 0.00 0.43 0.00 0.00 52.55 52.01 1j0f s ASP 50 Cb 0.10 -1.69 0.80 0.00 -0.30 0.00 0.00 42.92 41.83 1j0f s ASP 50 CO 0.56 -0.16 1.79 -0.55 -0.17 0.00 0.00 175.17 176.65 1j0f h ASN 51 N 8.02 0.73 -0.60 -0.34 7.08 -1.66 0.40 115.58 129.21 1j0f h ASN 51 Ca -0.30 0.09 0.12 0.00 -3.08 0.00 0.00 56.30 53.12 1j0f h ASN 51 Cb 1.10 -0.05 -0.12 0.00 -2.08 0.00 0.00 38.32 37.18 1j0f h ASN 51 CO 0.57 0.27 -0.24 0.00 -2.08 0.00 0.00 177.43 175.94 1j0f h ALA 52 N 1.63 0.21 -0.72 4.14 0.00 -1.93 0.62 119.26 123.21 1j0f h ALA 52 Ca 0.56 0.21 0.11 0.00 0.00 0.00 0.00 54.91 55.78 1j0f h ALA 52 Cb 0.94 0.61 -0.12 0.00 0.00 0.00 0.00 17.79 19.22 1j0f h ALA 52 CO -0.34 -0.54 -0.42 -0.07 0.00 0.00 0.00 179.25 177.88 1j0f h LEU 53 N -0.08 -1.48 -0.91 0.00 3.38 -1.15 0.67 115.31 115.74 1j0f h LEU 53 Ca 0.27 0.27 0.29 0.00 0.09 0.00 0.00 57.88 58.79 1j0f h LEU 53 Cb 0.51 0.70 -0.17 0.00 0.09 0.00 0.00 40.66 41.80 1j0f h LEU 53 CO -0.66 -0.31 0.15 -1.14 0.09 0.00 0.00 178.44 176.57 1j0f n ARG 54 N -5.41 -0.07 0.05 1.13 0.63 0.20 0.95 116.66 114.15 1j0f n ARG 54 Ca 0.04 1.33 -0.06 0.00 -0.92 0.00 0.00 57.85 58.24 1j0f n ARG 54 Cb 0.35 -2.18 -0.04 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 -0.20 -0.99 6.15 1.82 0.25 -2.63 116.42 120.81 1j0f h ASP 55 Ca 0.61 -0.14 0.35 0.00 -0.39 0.00 0.00 57.03 57.47 1j0f h ASP 55 Cb 1.39 0.05 -0.18 0.00 0.68 0.00 0.00 39.33 41.28 1j0f h ASP 55 CO -0.81 0.32 0.36 -0.33 -1.61 0.00 0.00 179.24 177.17 1j0f h GLU 56 N -1.03 0.05 0.38 0.28 3.07 0.24 0.35 114.58 117.92 1j0f h GLU 56 Ca -0.02 -0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.81 1j0f h GLU 56 Cb 0.33 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 1j0f h GLU 56 CO 0.04 0.03 -0.18 1.98 -1.40 0.00 0.00 179.01 179.48 1j0f h MET 57 N 0.05 -0.49 -0.71 2.33 4.05 0.52 -1.32 114.93 119.35 1j0f h MET 57 Ca 0.74 0.03 0.16 0.00 -0.28 0.00 0.00 59.70 60.35 1j0f h MET 57 Cb 1.80 0.11 -0.12 0.00 -0.80 0.00 0.00 31.60 32.59 1j0f h MET 57 CO -0.80 -0.19 0.03 0.00 0.23 0.00 0.00 176.91 176.18 1j0f h ARG 58 N -0.81 0.13 0.27 0.39 3.08 -0.04 0.58 114.38 117.97 1j0f h ARG 58 Ca -0.05 -0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1j0f h ARG 58 Cb 0.53 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.55 1j0f h ARG 58 CO 0.09 0.08 -0.13 1.15 -1.07 0.00 0.00 179.97 180.09 1j0f h THR 59 N 0.13 0.74 -0.18 2.04 2.02 -0.85 0.85 112.91 117.66 1j0f h THR 59 Ca 0.39 -0.02 0.05 0.00 0.77 0.00 0.00 66.41 67.60 1j0f h THR 59 Cb 0.67 0.75 -0.05 0.00 -1.74 0.00 0.00 68.15 67.78 1j0f h THR 59 CO -0.60 0.00 -0.15 -0.07 0.37 0.00 0.00 175.52 175.07 1j0f h LEU 60 N -0.36 -0.48 -0.83 2.58 3.38 0.12 -0.96 115.31 118.75 1j0f h LEU 60 Ca -0.04 0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.04 1j0f h LEU 60 Cb 0.28 0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 1j0f h LEU 60 CO 0.06 -0.19 0.55 0.00 0.09 0.00 0.00 178.44 178.95 1j0f h ALA 61 N 0.94 1.07 0.00 1.53 0.00 0.29 -3.47 119.26 119.62 1j0f h ALA 61 Ca 0.11 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.97 1j0f h ALA 61 Cb 0.33 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1j0f h ALA 61 CO -0.28 0.45 0.00 0.41 0.00 0.00 0.00 179.25 179.83 1j0f n GLY 62 N -1.33 1.77 3.47 0.00 0.00 0.26 -5.08 105.19 104.28 1j0f n GLY 62 Ca 0.09 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.71 0.20 1.61 2.47 0.87 -5.00 114.94 112.38 1j0f s ASN 63 Ca 0.00 1.21 0.05 0.00 0.42 0.00 0.00 52.86 54.54 1j0f s ASN 63 Cb 0.00 1.12 0.10 0.00 -1.45 0.00 0.00 41.25 41.02 1j0f s ASN 63 CO 0.00 -0.21 1.45 1.55 -3.72 0.00 0.00 177.10 176.17 1j0f h PRO 64 N 6.53 0.13 -1.97 0.43 0.13 -1.98 -3.24 132.00 132.04 1j0f h PRO 64 Ca -0.32 -0.12 -0.76 0.00 -0.87 0.00 0.00 66.00 63.93 1j0f h PRO 64 Cb 1.20 0.03 -0.28 0.00 0.13 0.00 0.00 31.00 32.08 1j0f h PRO 64 CO 0.20 0.85 0.94 1.63 -0.23 0.00 0.00 178.00 181.39 1j0f n LYS 65 N -3.69 2.83 -2.69 0.86 4.76 -1.26 -4.94 118.16 114.03 1j0f n LYS 65 Ca -0.02 -3.60 -0.21 0.00 -2.87 0.00 0.00 58.31 51.61 1j0f n LYS 65 Cb 0.75 -2.27 0.04 0.00 -1.84 0.00 0.00 35.03 31.70 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 -4.05 3.99 0.14 7.82 0.00 -1.22 -5.13 121.76 123.32 1j0f s ALA 66 Ca 0.52 -1.40 -0.17 0.00 0.00 0.00 0.00 51.96 50.91 1j0f s ALA 66 Cb 0.43 -2.01 0.04 0.00 0.00 0.00 0.00 23.12 21.58 1j0f s ALA 66 CO -0.40 -0.71 0.44 0.95 0.00 0.00 0.00 175.76 176.04 1j0f s THR 67 N -2.72 0.05 0.85 0.00 -4.23 -1.26 -4.98 115.64 103.35 1j0f s THR 67 Ca 0.57 -0.56 -0.12 0.00 -1.18 0.00 0.00 61.69 60.41 1j0f s THR 67 Cb -0.10 -1.23 0.10 0.00 1.34 0.00 0.00 72.50 72.61 1j0f s THR 67 CO 0.38 -0.25 1.11 -2.16 -0.54 0.00 0.00 174.62 173.17 1j0f s PRO 68 N -3.81 1.68 1.05 3.99 0.04 -1.26 -4.65 135.00 132.04 1j0f s PRO 68 Ca 0.04 0.49 -0.17 0.00 0.04 0.00 0.00 61.00 61.40 1j0f s PRO 68 Cb 0.01 -1.89 0.23 0.00 0.04 0.00 0.00 34.50 32.89 1j0f s PRO 68 CO -0.10 -1.86 1.21 -1.25 0.04 0.00 0.00 177.00 175.03 1j0f s PRO 69 N -5.21 -0.06 -0.22 0.56 0.04 -1.26 -4.87 135.00 123.98 1j0f s PRO 69 Ca 0.62 -0.16 -0.04 0.00 0.04 0.00 0.00 61.00 61.45 1j0f s PRO 69 Cb -0.15 -1.74 0.11 0.00 0.04 0.00 0.00 34.50 32.77 1j0f s PRO 69 CO 0.54 -2.92 0.38 -1.14 0.04 0.00 0.00 177.00 173.90 1j0f s GLN 70 N -5.60 0.32 -0.15 4.56 2.00 -1.03 -4.30 119.66 115.46 1j0f s GLN 70 Ca 0.71 0.71 -0.16 0.00 -2.00 0.00 0.00 55.36 54.62 1j0f s GLN 70 Cb -0.08 -0.19 -0.04 0.00 0.80 0.00 0.00 33.01 33.50 1j0f s GLN 70 CO 0.54 -0.49 0.40 0.42 -0.50 0.00 0.00 175.29 175.66 1j0f s ILE 71 N 2.56 5.23 -0.01 -2.34 1.09 -1.20 -0.54 121.20 125.98 1j0f s ILE 71 Ca 0.07 0.77 0.03 0.00 -1.10 0.00 0.00 60.65 60.42 1j0f s ILE 71 Cb -0.14 -3.74 -0.00 0.00 -1.06 0.00 0.00 42.46 37.52 1j0f s ILE 71 CO -0.14 0.33 -0.09 -0.69 -0.10 0.00 0.00 174.94 174.25 1j0f s VAL 72 N 0.71 0.76 -0.32 2.92 1.01 0.03 -1.74 120.40 123.77 1j0f s VAL 72 Ca 0.21 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.82 1j0f s VAL 72 Cb -0.14 -0.65 0.08 0.00 0.00 0.00 0.00 36.38 35.67 1j0f s VAL 72 CO 0.08 0.22 0.01 0.21 0.00 0.00 0.00 175.10 175.62 1j0f s ASN 73 N -0.09 4.75 -0.85 3.32 3.84 0.15 0.02 114.94 126.07 1j0f s ASN 73 Ca 0.02 -1.77 -0.13 0.00 0.21 0.00 0.00 52.86 51.18 1j0f s ASN 73 Cb -0.05 -1.64 0.02 0.00 -0.55 0.00 0.00 41.25 39.02 1j0f s ASN 73 CO -0.00 -0.32 0.54 0.61 -2.79 0.00 0.00 177.10 175.14 1j0f n GLY 74 N 4.41 -0.95 3.52 1.21 0.00 -0.07 0.13 105.19 113.43 1j0f n GLY 74 Ca -0.05 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1j0f n GLY 74 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1j0f n ASN 75 N -1.97 0.00 -4.54 1.61 3.02 -1.26 -4.97 115.26 107.15 1j0f n ASN 75 Ca -0.20 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 53.99 1j0f n ASN 75 Cb 0.55 0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.80 1j0f n ASN 75 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1j0f n HIS 76 N 0.00 -0.08 -4.62 3.10 8.25 0.34 -4.99 115.22 117.22 1j0f n HIS 76 Ca 0.00 0.36 -0.33 0.00 -0.26 0.00 0.00 57.72 57.49 1j0f n HIS 76 Cb 0.00 -1.99 -0.15 0.00 1.12 0.00 0.00 29.99 28.97 1j0f n HIS 76 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1j0f s TYR 77 N -1.95 2.76 -0.04 4.41 5.04 -1.26 0.30 117.35 126.61 1j0f s TYR 77 Ca 0.68 -1.02 -0.00 0.00 -2.44 0.00 0.00 57.07 54.29 1j0f s TYR 77 Cb -0.33 -1.86 -0.00 0.00 0.35 0.00 0.00 41.96 40.12 1j0f s TYR 77 CO 0.55 -0.45 -0.01 0.00 -1.34 0.00 0.00 175.55 174.30 1j0f n GLY 79 N 1.89 -0.61 3.77 0.00 0.00 -1.24 -4.93 105.19 104.07 1j0f n GLY 79 Ca -0.00 -0.51 -0.28 0.00 0.00 0.00 0.00 46.02 45.23 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 4.34 0.36 1.61 -4.77 -1.26 -3.27 116.67 109.67 1j0f s ASP 80 Ca 0.00 -1.30 0.16 0.00 -3.30 0.00 0.00 52.55 48.11 1j0f s ASP 80 Cb 0.00 -0.01 1.09 0.00 -1.09 0.00 0.00 42.92 42.91 1j0f s ASP 80 CO 0.00 -0.74 1.69 0.22 0.70 0.00 0.00 175.17 177.04 1j0f h TYR 81 N 1.29 0.86 0.04 2.11 5.03 -1.92 -0.90 116.97 123.49 1j0f h TYR 81 Ca -0.42 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 60.92 1j0f h TYR 81 Cb 1.28 -0.23 0.00 0.00 1.55 0.00 0.00 36.73 39.32 1j0f h TYR 81 CO 0.95 -0.09 -0.03 0.93 -1.32 0.00 0.00 178.16 178.60 1j0f h GLU 82 N 0.36 -0.06 -0.95 1.82 5.08 -1.96 0.52 114.58 119.39 1j0f h GLU 82 Ca 0.70 0.00 0.23 0.00 -1.00 0.00 0.00 59.36 59.30 1j0f h GLU 82 Cb 1.65 0.01 -0.18 0.00 0.50 0.00 0.00 28.75 30.74 1j0f h GLU 82 CO -0.51 -0.04 -0.08 -0.07 -1.00 0.00 0.00 179.01 177.31 1j0f h LEU 83 N -0.06 -0.63 0.06 1.33 4.07 -1.74 0.48 115.31 118.83 1j0f h LEU 83 Ca -0.01 0.27 0.03 0.00 0.08 0.00 0.00 57.88 58.25 1j0f h LEU 83 Cb 0.05 0.51 -0.04 0.00 1.08 0.00 0.00 40.66 42.26 1j0f h LEU 83 CO 0.01 -0.32 -0.33 0.15 -1.08 0.00 0.00 178.44 176.87 1j0f h PHE 84 N 0.02 -0.90 -0.51 1.13 3.57 -1.00 -0.57 116.94 118.68 1j0f h PHE 84 Ca 0.52 0.02 0.05 0.00 3.53 0.00 0.00 57.97 62.10 1j0f h PHE 84 Cb 0.97 0.39 -0.05 0.00 2.79 0.00 0.00 35.95 40.04 1j0f h PHE 84 CO -0.59 -0.43 0.24 -0.24 -2.23 0.00 0.00 178.31 175.06 1j0f h VAL 85 N -0.52 0.92 -0.18 1.41 3.04 0.21 0.65 116.25 121.78 1j0f h VAL 85 Ca 0.04 -0.16 0.03 0.00 -1.01 0.00 0.00 66.70 65.61 1j0f h VAL 85 Cb 0.57 0.42 -0.07 0.00 -2.01 0.00 0.00 31.29 30.21 1j0f h VAL 85 CO -0.23 0.08 -0.54 -0.08 -1.01 0.00 0.00 177.57 175.79 1j0f h GLU 86 N 0.46 -0.53 0.74 4.17 4.81 0.44 1.00 114.58 125.66 1j0f h GLU 86 Ca 0.23 0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.46 1j0f h GLU 86 Cb 0.17 0.12 0.01 0.00 0.63 0.00 0.00 28.75 29.68 1j0f h GLU 86 CO -0.18 -0.35 -0.35 0.00 -0.73 0.00 0.00 179.01 177.39 1j0f h ALA 87 N -0.23 -0.99 -0.99 2.92 0.00 -0.75 0.22 119.26 119.43 1j0f h ALA 87 Ca 0.04 -0.23 0.13 0.00 0.00 0.00 0.00 54.91 54.86 1j0f h ALA 87 Cb 0.67 0.38 -0.15 0.00 0.00 0.00 0.00 17.79 18.69 1j0f h ALA 87 CO -0.46 -0.97 -0.45 0.28 0.00 0.00 0.00 179.25 177.65 1j0f n VAL 88 N -5.46 -0.57 0.01 0.00 0.31 0.22 0.18 118.33 113.02 1j0f n VAL 88 Ca -0.13 2.35 -0.11 0.00 -0.01 0.00 0.00 64.34 66.43 1j0f n VAL 88 Cb 0.40 -3.04 -0.06 0.00 -0.91 0.00 0.00 33.84 30.24 1j0f n VAL 88 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 1j0f h GLU 89 N 0.00 0.11 0.00 5.55 5.08 0.11 -0.53 114.58 124.90 1j0f h GLU 89 Ca 0.29 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 1j0f h GLU 89 Cb 0.54 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1j0f h GLU 89 CO -0.97 0.07 0.00 1.96 -1.00 0.00 0.00 179.01 179.07 1j0f h GLN 90 N 0.11 0.00 -0.59 2.33 1.08 0.33 -3.45 115.11 114.92 1j0f h GLN 90 Ca 0.03 0.00 -0.10 0.00 -1.45 0.00 0.00 58.65 57.13 1j0f h GLN 90 Cb -0.01 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.40 1j0f h GLN 90 CO -0.01 0.00 -0.12 -3.47 -0.95 0.00 0.00 178.83 174.28 1j0f n ASP 91 N -2.51 -2.61 -0.43 1.46 2.03 0.47 -4.91 116.55 110.05 1j0f n ASP 91 Ca -0.01 0.03 0.06 0.00 0.52 0.00 0.00 54.79 55.39 1j0f n ASP 91 Cb 0.07 -1.58 0.11 0.00 -0.72 0.00 0.00 41.12 39.00 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 -3.67 1.34 -0.31 5.18 -2.24 -0.39 -4.77 114.28 109.42 1j0f n THR 92 Ca -0.06 -1.84 0.10 0.00 -2.27 0.00 0.00 64.05 59.98 1j0f n THR 92 Cb 0.44 0.05 0.32 0.00 -2.10 0.00 0.00 70.33 69.04 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 0.32 0.77 -1.90 3.22 7.12 -1.83 0.41 115.31 123.42 1j0f h LEU 93 Ca -0.02 0.04 0.09 0.00 0.13 0.00 0.00 57.88 58.12 1j0f h LEU 93 Cb 1.18 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 41.19 1j0f h LEU 93 CO 0.01 0.40 0.46 1.56 -0.13 0.00 0.00 178.44 180.74 1j0f h GLN 94 N 0.82 0.00 0.00 1.25 4.20 -1.92 -0.69 115.11 118.77 1j0f h GLN 94 Ca 0.47 0.00 -0.10 0.00 0.06 0.00 0.00 58.65 59.07 1j0f h GLN 94 Cb 0.61 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.38 1j0f h GLN 94 CO -0.23 0.00 -0.62 1.49 -0.67 0.00 0.00 178.83 178.80 1j0f h GLU 95 N 0.00 0.00 -0.31 1.46 4.57 -0.33 -1.80 114.58 118.17 1j0f h GLU 95 Ca 0.15 0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.37 1j0f h GLU 95 Cb 1.07 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.60 1j0f h GLU 95 CO -0.00 0.79 -0.43 0.35 -1.18 0.00 0.00 179.01 178.54 1j0f h PHE 96 N -1.00 -1.31 -0.03 0.92 3.57 -0.84 -3.41 116.94 114.83 1j0f h PHE 96 Ca -0.15 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.41 1j0f h PHE 96 Cb 0.98 0.61 0.00 0.00 2.79 0.00 0.00 35.95 40.33 1j0f h PHE 96 CO 0.11 -0.38 0.00 1.28 -2.23 0.00 0.00 178.31 177.10 1j0f n LEU 97 N -4.75 0.00 -2.56 0.59 4.77 -0.70 -4.86 117.00 109.49 1j0f n LEU 97 Ca -0.03 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.68 1j0f n LEU 97 Cb 0.26 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.35 1j0f n LEU 97 CO 0.01 -0.31 0.18 0.29 -1.33 0.00 0.00 177.39 176.23 1j0f n LYS 98 N 0.00 3.39 -0.13 3.23 4.01 -1.26 -4.73 118.16 122.67 1j0f n LYS 98 Ca 0.00 -4.57 -0.28 0.00 -0.51 0.00 0.00 58.31 52.96 1j0f n LYS 98 Cb 0.00 -2.25 -0.09 0.00 -0.51 0.00 0.00 35.03 32.18 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 -0.44 1.91 0.00 -0.35 4.32 -1.23 -4.85 117.00 116.37 1j0f n LEU 99 Ca 0.38 0.33 0.00 0.00 -0.02 0.00 0.00 56.01 56.70 1j0f n LEU 99 Cb 0.61 -0.79 0.00 0.00 -1.62 0.00 0.00 43.42 41.62 1j0f n LEU 99 CO 0.33 0.50 0.00 0.00 -1.22 0.00 0.00 177.39 177.01