#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 -0.28 0.18 1.61 0.15 -1.26 -5.16 113.70 108.94 1j0f s SER 2 Ca 0.00 0.54 -0.05 0.00 0.70 0.00 0.00 55.95 57.15 1j0f s SER 2 Cb 0.00 0.55 -0.05 0.00 -1.71 0.00 0.00 66.02 64.81 1j0f s SER 2 CO 0.00 -0.10 0.41 -1.83 1.20 0.00 0.00 173.24 172.92 1j0f s GLU 3 N 0.12 3.62 0.00 5.44 1.03 -1.26 -5.07 118.70 122.57 1j0f s GLU 3 Ca -0.00 -0.09 0.00 0.00 0.03 0.00 0.00 54.97 54.91 1j0f s GLU 3 Cb -0.02 -2.81 0.00 0.00 -0.80 0.00 0.00 34.13 30.50 1j0f s GLU 3 CO 0.00 0.41 0.00 0.41 -1.33 0.00 0.00 175.26 174.76 1j0f n GLY 4 N -0.17 0.48 3.57 -3.83 0.00 -1.26 -5.11 105.19 98.87 1j0f n GLY 4 Ca -0.02 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.20 -1.73 -0.29 4.61 0.00 -1.26 -5.00 121.76 114.89 1j0f s ALA 5 Ca 0.00 2.26 -0.19 0.00 0.00 0.00 0.00 51.96 54.03 1j0f s ALA 5 Cb 0.00 -1.35 0.15 0.00 0.00 0.00 0.00 23.12 21.92 1j0f s ALA 5 CO 0.00 -0.37 1.07 0.00 0.00 0.00 0.00 175.76 176.45 1j0f s ALA 6 N 1.63 -2.24 0.39 0.00 0.00 -1.26 -5.15 121.76 115.13 1j0f s ALA 6 Ca -0.10 2.05 -0.26 0.00 0.00 0.00 0.00 51.96 53.65 1j0f s ALA 6 Cb -0.06 -1.68 -0.09 0.00 0.00 0.00 0.00 23.12 21.29 1j0f s ALA 6 CO -0.19 -0.29 1.24 -0.08 0.00 0.00 0.00 175.76 176.44 1j0f s THR 7 N 0.90 2.89 0.07 0.00 -1.32 -1.26 -4.78 115.64 112.14 1j0f s THR 7 Ca -0.04 0.79 0.00 0.00 -1.21 0.00 0.00 61.69 61.23 1j0f s THR 7 Cb -0.04 -3.46 0.00 0.00 -1.51 0.00 0.00 72.50 67.49 1j0f s THR 7 CO -0.12 0.11 0.00 0.80 -2.21 0.00 0.00 174.62 173.20 1j0f n MET 8 N 0.23 0.00 -4.51 7.08 0.00 -1.26 -5.13 117.12 113.53 1j0f n MET 8 Ca 0.03 0.00 -0.32 0.00 0.00 0.00 0.00 57.70 57.41 1j0f n MET 8 Cb 0.45 0.00 -0.11 0.00 0.00 0.00 0.00 33.22 33.56 1j0f n MET 8 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 175.97 174.85 1j0f s SER 9 N -2.00 4.52 -1.14 6.12 0.01 -1.26 -5.06 113.70 114.89 1j0f s SER 9 Ca 0.00 -0.16 -0.09 0.00 1.31 0.00 0.00 55.95 57.01 1j0f s SER 9 Cb 0.00 -1.03 0.26 0.00 0.21 0.00 0.00 66.02 65.46 1j0f s SER 9 CO 0.00 0.29 1.29 0.61 0.41 0.00 0.00 173.24 175.84 1j0f n GLY 10 N 1.65 4.32 3.74 3.44 0.00 -1.26 -4.87 105.19 112.20 1j0f n GLY 10 Ca -0.16 -2.49 -0.41 0.00 0.00 0.00 0.00 46.02 42.97 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 -1.10 4.47 -0.05 0.99 1.98 -1.24 -0.19 118.68 123.54 1j0f s LEU 11 Ca 0.33 2.16 0.01 0.00 -2.89 0.00 0.00 54.13 53.75 1j0f s LEU 11 Cb -0.05 -3.61 0.02 0.00 0.66 0.00 0.00 46.19 43.22 1j0f s LEU 11 CO -0.02 -0.29 -0.05 -0.13 -1.89 0.00 0.00 176.35 173.97 1j0f s ARG 12 N -0.33 0.87 -0.39 1.98 0.52 0.99 0.08 118.95 122.67 1j0f s ARG 12 Ca 0.51 -0.12 -0.06 0.00 -0.52 0.00 0.00 55.73 55.54 1j0f s ARG 12 Cb -0.31 -0.87 0.08 0.00 0.52 0.00 0.00 34.95 34.36 1j0f s ARG 12 CO 0.36 -0.08 0.19 0.08 0.02 0.00 0.00 175.30 175.87 1j0f s VAL 13 N 0.92 3.80 -0.69 3.52 1.01 0.67 -0.45 120.40 129.18 1j0f s VAL 13 Ca -0.11 -1.51 -0.27 0.00 0.00 0.00 0.00 61.98 60.09 1j0f s VAL 13 Cb -0.14 -3.35 0.01 0.00 0.00 0.00 0.00 36.38 32.90 1j0f s VAL 13 CO 0.00 -0.46 1.51 -0.31 0.00 0.00 0.00 175.10 175.84 1j0f s TYR 14 N 1.33 2.04 0.44 5.22 1.51 0.48 -0.58 117.35 127.79 1j0f s TYR 14 Ca 0.03 0.27 0.05 0.00 -1.01 0.00 0.00 57.07 56.41 1j0f s TYR 14 Cb -0.22 -4.42 -0.06 0.00 -0.11 0.00 0.00 41.96 37.15 1j0f s TYR 14 CO 0.00 -2.17 0.02 -1.54 -1.11 0.00 0.00 175.55 170.76 1j0f s SER 15 N 5.43 3.99 0.18 2.29 1.04 -0.07 -2.42 113.70 124.15 1j0f s SER 15 Ca 0.47 -1.43 0.07 0.00 0.48 0.00 0.00 55.95 55.54 1j0f s SER 15 Cb -0.10 -0.14 -0.05 0.00 0.10 0.00 0.00 66.02 65.83 1j0f s SER 15 CO 0.17 -0.57 -0.13 0.28 0.98 0.00 0.00 173.24 173.97 1j0f s THR 16 N -2.75 1.52 -0.09 2.02 -1.32 -1.26 -1.21 115.64 112.55 1j0f s THR 16 Ca 0.27 -2.14 -0.01 0.00 -1.21 0.00 0.00 61.69 58.61 1j0f s THR 16 Cb 0.07 -1.95 -0.06 0.00 -1.51 0.00 0.00 72.50 69.05 1j0f s THR 16 CO 0.14 -0.64 -0.09 -0.24 -2.21 0.00 0.00 174.62 171.58 1j0f n SER 17 N -0.28 2.68 -4.24 8.08 2.88 -1.26 -4.85 113.62 116.63 1j0f n SER 17 Ca -0.09 -0.01 -0.43 0.00 -1.33 0.00 0.00 58.87 57.01 1j0f n SER 17 Cb 0.60 -0.18 -0.04 0.00 -0.75 0.00 0.00 64.21 63.84 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 -2.18 5.01 0.00 2.46 1.01 -1.26 -4.66 120.40 120.77 1j0f s VAL 18 Ca -0.13 -2.91 0.00 0.00 0.00 0.00 0.00 61.98 58.95 1j0f s VAL 18 Cb 0.04 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.30 1j0f s VAL 18 CO 0.20 -1.02 0.00 1.07 0.00 0.00 0.00 175.10 175.35 1j0f n THR 19 N 3.46 0.00 -3.56 3.92 5.66 -1.26 -4.98 114.28 117.52 1j0f n THR 19 Ca 0.15 0.00 -0.21 0.00 -3.05 0.00 0.00 64.05 60.93 1j0f n THR 19 Cb 0.42 -0.62 0.08 0.00 -1.55 0.00 0.00 70.33 68.66 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 2.15 -0.46 0.00 1.09 0.00 -1.26 -4.89 105.19 101.82 1j0f n GLY 20 Ca 0.00 0.18 0.05 0.00 0.00 0.00 0.00 46.02 46.26 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 -3.05 0.94 0.00 1.61 7.64 -1.26 -5.00 113.62 114.49 1j0f n SER 21 Ca -0.13 -0.59 0.00 0.00 1.01 0.00 0.00 58.87 59.16 1j0f n SER 21 Cb 0.61 1.12 0.00 0.00 -1.01 0.00 0.00 64.21 64.93 1j0f n SER 21 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1j0f n ARG 22 N -1.40 0.00 -0.31 1.43 1.74 -1.26 -3.96 116.66 112.90 1j0f n ARG 22 Ca 0.01 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.05 1j0f n ARG 22 Cb 0.20 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.65 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 -0.08 0.31 5.56 3.07 -1.99 0.33 114.58 121.78 1j0f h GLU 23 Ca 0.00 0.01 -0.01 0.00 -0.50 0.00 0.00 59.36 58.86 1j0f h GLU 23 Cb 0.00 0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 27.90 1j0f h GLU 23 CO 0.00 -0.05 -0.41 0.82 -1.40 0.00 0.00 179.01 177.97 1j0f h ILE 24 N -0.08 0.00 -0.94 3.13 2.04 -1.89 -1.20 117.51 118.56 1j0f h ILE 24 Ca 0.28 0.00 0.19 0.00 1.00 0.00 0.00 64.86 66.33 1j0f h ILE 24 Cb 0.57 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 36.47 1j0f h ILE 24 CO -0.85 0.00 -0.23 0.11 0.00 0.00 0.00 178.15 177.18 1j0f h LYS 25 N -0.74 0.00 -0.13 2.37 1.57 -1.43 0.42 116.57 118.63 1j0f h LYS 25 Ca -0.04 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.78 1j0f h LYS 25 Cb 0.67 -0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.92 1j0f h LYS 25 CO -0.10 0.00 -0.43 1.03 -0.57 0.00 0.00 179.45 179.38 1j0f h SER 26 N 0.00 -1.33 -0.95 0.86 0.87 0.37 0.32 113.55 113.69 1j0f h SER 26 Ca 0.45 0.17 0.20 0.00 -1.23 0.00 0.00 61.79 61.39 1j0f h SER 26 Cb 0.69 0.54 -0.08 0.00 -0.44 0.00 0.00 62.40 63.11 1j0f h SER 26 CO -0.96 -0.43 0.61 1.56 -0.53 0.00 0.00 176.83 177.08 1j0f h GLN 27 N -0.50 0.50 -0.05 2.24 4.20 0.90 0.61 115.11 123.01 1j0f h GLN 27 Ca 0.07 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 1j0f h GLN 27 Cb 0.63 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.30 1j0f h GLN 27 CO -0.40 0.33 -0.01 1.96 -0.67 0.00 0.00 178.83 180.05 1j0f h GLN 28 N 0.51 0.09 -0.65 1.46 4.20 0.12 -1.92 115.11 118.91 1j0f h GLN 28 Ca 0.51 -0.03 -0.04 0.00 0.06 0.00 0.00 58.65 59.15 1j0f h GLN 28 Cb 1.12 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.86 1j0f h GLN 28 CO -0.24 0.40 0.26 0.77 -0.67 0.00 0.00 178.83 179.35 1j0f h SER 29 N -0.23 0.90 0.19 1.46 0.02 0.14 -1.58 113.55 114.45 1j0f h SER 29 Ca 0.01 -0.17 -0.00 0.00 -0.84 0.00 0.00 61.79 60.79 1j0f h SER 29 Cb 0.36 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 1j0f h SER 29 CO 0.00 0.83 -0.23 -0.33 -1.14 0.00 0.00 176.83 175.96 1j0f h GLU 30 N 0.92 -0.42 -0.37 3.45 5.08 0.20 0.30 114.58 123.74 1j0f h GLU 30 Ca 0.22 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.67 1j0f h GLU 30 Cb 0.20 0.10 -0.09 0.00 0.50 0.00 0.00 28.75 29.46 1j0f h GLU 30 CO -0.02 -0.28 -0.44 0.28 -1.00 0.00 0.00 179.01 177.56 1j0f h VAL 31 N -0.44 0.11 -0.91 3.13 2.07 -1.33 0.84 116.25 119.73 1j0f h VAL 31 Ca -0.02 0.00 0.26 0.00 0.82 0.00 0.00 66.70 67.76 1j0f h VAL 31 Cb 0.39 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 1j0f h VAL 31 CO -0.05 0.00 0.67 0.71 0.02 0.00 0.00 177.57 178.92 1j0f h THR 32 N -0.35 0.51 0.48 2.57 1.35 -1.10 0.31 112.91 116.68 1j0f h THR 32 Ca 0.12 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 65.96 1j0f h THR 32 Cb 0.59 0.53 0.00 0.00 -1.73 0.00 0.00 68.15 67.55 1j0f h THR 32 CO -0.55 0.00 -0.23 -0.09 -0.25 0.00 0.00 175.52 174.40 1j0f h ARG 33 N 0.00 -0.62 0.32 4.72 2.43 0.45 -0.95 114.38 120.74 1j0f h ARG 33 Ca 0.43 0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.63 1j0f h ARG 33 Cb 1.76 0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 31.45 1j0f h ARG 33 CO -0.00 -0.32 -0.20 0.82 -1.51 0.00 0.00 179.97 178.76 1j0f h ILE 34 N -1.04 0.59 -0.99 1.20 5.03 0.14 0.82 117.51 123.27 1j0f h ILE 34 Ca -0.07 0.00 0.26 0.00 -0.12 0.00 0.00 64.86 64.93 1j0f h ILE 34 Cb 0.58 0.59 -0.07 0.00 -3.03 0.00 0.00 36.82 34.89 1j0f h ILE 34 CO 0.11 0.00 0.67 -0.07 -0.68 0.00 0.00 178.15 178.18 1j0f h LEU 35 N -0.50 0.28 0.08 1.44 4.07 -0.54 1.04 115.31 121.18 1j0f h LEU 35 Ca -0.03 0.04 -0.18 0.00 0.08 0.00 0.00 57.88 57.78 1j0f h LEU 35 Cb 0.41 -0.01 0.02 0.00 1.08 0.00 0.00 40.66 42.16 1j0f h LEU 35 CO 0.03 0.08 -0.77 -0.78 -1.08 0.00 0.00 178.44 175.92 1j0f h ASP 36 N 0.26 0.54 -0.01 -0.43 3.58 0.09 0.52 116.42 120.97 1j0f h ASP 36 Ca 0.52 -0.86 -0.00 0.00 0.42 0.00 0.00 57.03 57.11 1j0f h ASP 36 Cb 1.55 -0.17 -0.00 0.00 1.72 0.00 0.00 39.33 42.43 1j0f h ASP 36 CO -0.16 1.34 0.00 1.23 -2.88 0.00 0.00 179.24 178.78 1j0f h GLY 37 N -0.19 0.01 1.69 -0.78 0.00 0.44 -0.91 103.07 103.33 1j0f h GLY 37 Ca -0.12 -0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1j0f h GLY 37 CO 0.15 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.97 1j0f n LYS 38 N -5.05 0.17 -3.44 4.80 5.02 0.32 -4.85 118.16 115.13 1j0f n LYS 38 Ca -0.07 0.16 -0.23 0.00 -2.02 0.00 0.00 58.31 56.15 1j0f n LYS 38 Cb 0.06 -1.50 0.07 0.00 -0.02 0.00 0.00 35.03 33.64 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 -1.35 -7.12 -2.58 1.97 5.12 -0.35 -4.95 116.66 107.40 1j0f n ARG 39 Ca 0.07 0.85 -0.35 0.00 -1.93 0.00 0.00 57.85 56.48 1j0f n ARG 39 Cb 0.15 -5.83 -0.04 0.00 -1.16 0.00 0.00 32.46 25.57 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 3.85 -0.46 0.55 1.01 0.18 -4.95 121.20 118.09 1j0f s ILE 40 Ca 0.51 1.23 -0.21 0.00 0.00 0.00 0.00 60.65 62.18 1j0f s ILE 40 Cb -0.22 -3.54 0.03 0.00 0.01 0.00 0.00 42.46 38.74 1j0f s ILE 40 CO 0.63 -0.17 0.68 -1.10 0.00 0.00 0.00 174.94 174.97 1j0f s GLN 41 N -3.00 3.26 0.23 2.79 -1.52 -1.26 -4.77 119.66 115.39 1j0f s GLN 41 Ca 0.64 -0.45 -0.09 0.00 -1.95 0.00 0.00 55.36 53.51 1j0f s GLN 41 Cb -0.17 -3.99 -0.01 0.00 -0.22 0.00 0.00 33.01 28.62 1j0f s GLN 41 CO 0.21 -1.11 0.38 1.52 -0.25 0.00 0.00 175.29 176.04 1j0f s TYR 42 N 2.93 0.60 -0.05 0.91 -0.85 -1.26 -3.65 117.35 115.97 1j0f s TYR 42 Ca 0.22 -0.92 0.03 0.00 -0.52 0.00 0.00 57.07 55.88 1j0f s TYR 42 Cb -0.15 -0.03 0.01 0.00 0.38 0.00 0.00 41.96 42.17 1j0f s TYR 42 CO 0.18 -0.89 -0.12 -1.14 -1.52 0.00 0.00 175.55 172.06 1j0f s GLN 43 N -4.06 1.56 -0.35 -3.49 0.74 0.11 -4.95 119.66 109.23 1j0f s GLN 43 Ca 0.27 -0.42 -0.29 0.00 0.05 0.00 0.00 55.36 54.98 1j0f s GLN 43 Cb 0.02 -1.33 0.02 0.00 1.10 0.00 0.00 33.01 32.82 1j0f s GLN 43 CO 0.10 0.07 1.12 -1.17 -0.55 0.00 0.00 175.29 174.87 1j0f s LEU 44 N 0.50 3.87 -0.33 3.68 2.96 -1.26 -0.24 118.68 127.86 1j0f s LEU 44 Ca -0.11 0.97 -0.12 0.00 -0.22 0.00 0.00 54.13 54.65 1j0f s LEU 44 Cb -0.14 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 42.99 1j0f s LEU 44 CO 0.03 -0.98 0.22 -0.69 -1.32 0.00 0.00 176.35 173.61 1j0f s VAL 45 N 3.92 5.15 -0.54 1.68 1.01 0.25 -4.92 120.40 126.93 1j0f s VAL 45 Ca 0.48 -0.23 -0.26 0.00 0.00 0.00 0.00 61.98 61.97 1j0f s VAL 45 Cb -0.12 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 32.67 1j0f s VAL 45 CO 0.20 0.03 1.03 -0.62 0.00 0.00 0.00 175.10 175.73 1j0f s ASP 46 N 1.70 6.41 0.15 3.32 -1.08 -1.26 -0.89 116.67 125.02 1j0f s ASP 46 Ca 0.06 -0.10 -0.04 0.00 -0.52 0.00 0.00 52.55 51.95 1j0f s ASP 46 Cb -0.17 -2.48 -0.04 0.00 -1.46 0.00 0.00 42.92 38.77 1j0f s ASP 46 CO 0.10 -1.28 1.36 0.16 0.52 0.00 0.00 175.17 176.02 1j0f h ILE 47 N 6.08 1.38 -0.37 4.11 3.07 -1.45 -3.24 117.51 127.10 1j0f h ILE 47 Ca -0.25 -2.29 0.08 0.00 1.55 0.00 0.00 64.86 63.95 1j0f h ILE 47 Cb 1.07 2.26 -0.08 0.00 -0.27 0.00 0.00 36.82 39.80 1j0f h ILE 47 CO 1.11 0.69 -0.14 -1.28 -1.05 0.00 0.00 178.15 177.48 1j0f h SER 48 N 0.27 -0.48 -0.36 2.16 0.87 -1.90 -2.54 113.55 111.57 1j0f h SER 48 Ca -0.06 0.13 0.04 0.00 -1.23 0.00 0.00 61.79 60.67 1j0f h SER 48 Cb 1.45 0.28 -0.05 0.00 -0.44 0.00 0.00 62.40 63.64 1j0f h SER 48 CO 0.15 -0.17 -0.31 1.56 -0.53 0.00 0.00 176.83 177.53 1j0f h GLN 49 N -0.06 -0.12 -4.67 2.24 1.08 -1.93 -3.33 115.11 108.31 1j0f h GLN 49 Ca 0.18 0.01 -0.69 0.00 -1.45 0.00 0.00 58.65 56.70 1j0f h GLN 49 Cb 0.34 0.03 -0.23 0.00 -0.05 0.00 0.00 27.48 27.57 1j0f h GLN 49 CO -0.42 -0.08 -0.52 0.34 -0.95 0.00 0.00 178.83 177.20 1j0f s ASP 50 N -4.14 5.73 0.27 1.46 -1.08 -0.96 -4.96 116.67 112.99 1j0f s ASP 50 Ca -0.07 -0.73 -0.00 0.00 -0.52 0.00 0.00 52.55 51.23 1j0f s ASP 50 Cb 0.05 -2.04 0.57 0.00 -1.46 0.00 0.00 42.92 40.04 1j0f s ASP 50 CO 0.33 -0.29 1.75 0.78 0.52 0.00 0.00 175.17 178.26 1j0f h ASN 51 N 8.42 0.48 -0.81 -0.34 2.35 -1.68 -0.75 115.58 123.25 1j0f h ASN 51 Ca -0.29 0.10 0.12 0.00 -0.55 0.00 0.00 56.30 55.68 1j0f h ASN 51 Cb 1.13 0.03 -0.13 0.00 0.05 0.00 0.00 38.32 39.40 1j0f h ASN 51 CO 0.65 0.17 -0.42 0.00 -1.65 0.00 0.00 177.43 176.18 1j0f h ALA 52 N 1.59 -0.11 -0.92 -0.83 0.00 -1.93 0.32 119.26 117.38 1j0f h ALA 52 Ca 0.48 0.19 0.13 0.00 0.00 0.00 0.00 54.91 55.71 1j0f h ALA 52 Cb 0.74 1.01 -0.14 0.00 0.00 0.00 0.00 17.79 19.40 1j0f h ALA 52 CO -0.40 -0.74 -0.43 -0.07 0.00 0.00 0.00 179.25 177.61 1j0f h LEU 53 N -0.09 -1.58 -0.94 0.00 3.38 -1.37 1.18 115.31 115.90 1j0f h LEU 53 Ca 0.25 0.30 0.33 0.00 0.09 0.00 0.00 57.88 58.86 1j0f h LEU 53 Cb 0.55 0.78 -0.17 0.00 0.09 0.00 0.00 40.66 41.91 1j0f h LEU 53 CO -0.85 -0.28 0.28 -1.14 0.09 0.00 0.00 178.44 176.54 1j0f n ARG 54 N -5.42 -0.06 -0.05 1.13 0.63 0.11 0.14 116.66 113.14 1j0f n ARG 54 Ca 0.07 1.34 -0.00 0.00 -0.92 0.00 0.00 57.85 58.34 1j0f n ARG 54 Cb 0.36 -2.28 -0.00 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 0.00 -1.00 6.15 3.58 0.13 -3.08 116.42 122.21 1j0f h ASP 55 Ca 0.69 -0.00 0.33 0.00 0.42 0.00 0.00 57.03 58.47 1j0f h ASP 55 Cb 1.68 0.00 -0.18 0.00 1.72 0.00 0.00 39.33 42.55 1j0f h ASP 55 CO -0.79 0.50 0.23 -0.33 -2.88 0.00 0.00 179.24 175.97 1j0f h GLU 56 N -1.00 0.01 0.02 0.28 5.08 0.16 0.78 114.58 119.91 1j0f h GLU 56 Ca -0.00 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1j0f h GLU 56 Cb 0.01 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 1j0f h GLU 56 CO -0.00 0.01 -0.01 1.98 -1.00 0.00 0.00 179.01 179.99 1j0f h MET 57 N 0.01 -0.03 -0.17 2.33 4.05 0.11 -0.07 114.93 121.16 1j0f h MET 57 Ca 0.70 0.00 0.05 0.00 -0.28 0.00 0.00 59.70 60.17 1j0f h MET 57 Cb 1.63 0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 32.38 1j0f h MET 57 CO -0.86 0.04 -0.18 0.00 0.23 0.00 0.00 176.91 176.14 1j0f h ARG 58 N -0.09 -0.20 -0.10 0.39 3.08 0.58 0.19 114.38 118.23 1j0f h ARG 58 Ca -0.00 0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.09 1j0f h ARG 58 Cb 0.08 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.14 1j0f h ARG 58 CO 0.01 -0.13 -0.11 1.15 -1.07 0.00 0.00 179.97 179.82 1j0f h THR 59 N -0.20 0.70 0.11 2.04 2.02 -0.91 0.46 112.91 117.12 1j0f h THR 59 Ca 0.11 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.31 1j0f h THR 59 Cb 0.36 0.70 -0.05 0.00 -1.74 0.00 0.00 68.15 67.43 1j0f h THR 59 CO -0.29 0.00 -0.44 -0.07 0.37 0.00 0.00 175.52 175.10 1j0f h LEU 60 N -0.14 -1.29 0.22 2.58 3.38 -0.40 -2.64 115.31 117.02 1j0f h LEU 60 Ca 0.08 0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.20 1j0f h LEU 60 Cb 0.24 0.48 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 1j0f h LEU 60 CO -0.19 -0.50 -0.49 0.00 0.09 0.00 0.00 178.44 177.35 1j0f h ALA 61 N -0.22 -0.96 0.00 1.53 0.00 -0.31 -3.47 119.26 115.84 1j0f h ALA 61 Ca 0.02 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1j0f h ALA 61 Cb 0.69 0.80 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1j0f h ALA 61 CO -0.26 -1.10 0.00 0.41 0.00 0.00 0.00 179.25 178.30 1j0f n GLY 62 N -1.50 0.90 3.64 0.00 0.00 0.15 -5.06 105.19 103.32 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 -1.26 -0.38 0.20 1.61 2.47 -0.63 -5.03 114.94 111.91 1j0f s ASN 63 Ca 0.00 0.63 0.06 0.00 0.42 0.00 0.00 52.86 53.98 1j0f s ASN 63 Cb 0.00 1.05 0.11 0.00 -1.45 0.00 0.00 41.25 40.96 1j0f s ASN 63 CO 0.00 -0.10 1.46 1.55 -3.72 0.00 0.00 177.10 176.29 1j0f h PRO 64 N 5.41 0.10 -1.18 0.43 0.13 -1.98 -3.11 132.00 131.80 1j0f h PRO 64 Ca -0.28 -0.09 -0.50 0.00 -0.87 0.00 0.00 66.00 64.26 1j0f h PRO 64 Cb 1.18 0.02 -0.23 0.00 0.13 0.00 0.00 31.00 32.11 1j0f h PRO 64 CO 0.19 0.82 0.65 1.63 -0.23 0.00 0.00 178.00 181.06 1j0f n LYS 65 N -3.68 2.25 -2.48 0.86 4.76 -1.26 -4.94 118.16 113.66 1j0f n LYS 65 Ca -0.02 -2.51 -0.25 0.00 -2.87 0.00 0.00 58.31 52.65 1j0f n LYS 65 Cb 0.74 -1.99 0.04 0.00 -1.84 0.00 0.00 35.03 31.98 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 -2.90 3.42 0.12 7.82 0.00 -1.18 -5.11 121.76 123.94 1j0f s ALA 66 Ca 0.49 -0.88 -0.15 0.00 0.00 0.00 0.00 51.96 51.43 1j0f s ALA 66 Cb 0.39 -2.46 0.03 0.00 0.00 0.00 0.00 23.12 21.08 1j0f s ALA 66 CO 0.01 -0.82 0.37 0.95 0.00 0.00 0.00 175.76 176.27 1j0f s THR 67 N -2.94 0.08 0.85 0.00 -4.23 -1.26 -4.97 115.64 103.16 1j0f s THR 67 Ca 0.55 -0.66 -0.12 0.00 -1.18 0.00 0.00 61.69 60.28 1j0f s THR 67 Cb -0.10 -1.19 0.10 0.00 1.34 0.00 0.00 72.50 72.64 1j0f s THR 67 CO 0.43 -0.36 1.12 -2.16 -0.54 0.00 0.00 174.62 173.11 1j0f s PRO 68 N -3.81 1.66 0.70 3.99 0.04 -1.26 -4.68 135.00 131.64 1j0f s PRO 68 Ca 0.03 0.48 -0.12 0.00 0.04 0.00 0.00 61.00 61.43 1j0f s PRO 68 Cb 0.02 -1.88 0.17 0.00 0.04 0.00 0.00 34.50 32.85 1j0f s PRO 68 CO -0.12 -1.88 0.77 -0.35 0.04 0.00 0.00 177.00 175.47 1j0f n PRO 69 N -3.58 -1.59 -3.41 0.56 -0.04 -1.26 -4.86 135.00 120.82 1j0f n PRO 69 Ca 0.07 -1.21 -0.02 0.00 -0.04 0.00 0.00 63.50 62.29 1j0f n PRO 69 Cb 0.58 -0.96 -0.05 0.00 -0.04 0.00 0.00 33.50 33.03 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 -4.72 0.48 -0.03 0.54 2.00 -1.01 -4.17 119.66 112.75 1j0f s GLN 70 Ca 0.47 1.02 -0.22 0.00 -2.00 0.00 0.00 55.36 54.63 1j0f s GLN 70 Cb -0.03 0.37 -0.05 0.00 0.80 0.00 0.00 33.01 34.10 1j0f s GLN 70 CO 0.34 -0.46 0.63 0.42 -0.50 0.00 0.00 175.29 175.73 1j0f s ILE 71 N 2.76 4.96 0.01 -2.34 1.09 -0.68 -0.39 121.20 126.61 1j0f s ILE 71 Ca 0.08 1.32 0.02 0.00 -1.10 0.00 0.00 60.65 60.97 1j0f s ILE 71 Cb -0.14 -3.97 -0.01 0.00 -1.06 0.00 0.00 42.46 37.28 1j0f s ILE 71 CO -0.18 0.35 -0.06 -0.69 -0.10 0.00 0.00 174.94 174.26 1j0f s VAL 72 N 0.22 0.44 -0.30 2.92 1.01 0.40 -1.75 120.40 123.34 1j0f s VAL 72 Ca 0.33 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.81 1j0f s VAL 72 Cb -0.18 -0.43 0.08 0.00 0.00 0.00 0.00 36.38 35.85 1j0f s VAL 72 CO 0.17 -0.08 -0.03 0.21 0.00 0.00 0.00 175.10 175.37 1j0f s ASN 73 N -0.67 4.60 0.00 3.32 3.84 0.66 -0.01 114.94 126.68 1j0f s ASN 73 Ca -0.03 -1.76 0.00 0.00 0.21 0.00 0.00 52.86 51.28 1j0f s ASN 73 Cb -0.05 -1.59 0.00 0.00 -0.55 0.00 0.00 41.25 39.06 1j0f s ASN 73 CO 0.00 -0.28 0.00 0.61 -2.79 0.00 0.00 177.10 174.64 1j0f n GLY 74 N 4.35 0.24 0.23 1.21 0.00 0.73 0.19 105.19 112.14 1j0f n GLY 74 Ca -0.05 0.56 0.06 0.00 0.00 0.00 0.00 46.02 46.58 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 2.40 1.41 -4.56 1.61 2.85 -1.26 -5.00 115.26 112.70 1j0f n ASN 75 Ca 0.00 -2.62 -0.28 0.00 -0.11 0.00 0.00 54.58 51.57 1j0f n ASN 75 Cb 0.00 -0.33 -0.10 0.00 1.24 0.00 0.00 39.78 40.60 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 -1.70 2.67 -0.48 1.20 3.76 0.51 -5.09 115.29 116.15 1j0f s HIS 76 Ca 0.19 -0.20 -0.11 0.00 -0.15 0.00 0.00 55.06 54.78 1j0f s HIS 76 Cb 0.16 -1.36 0.12 0.00 1.11 0.00 0.00 32.58 32.61 1j0f s HIS 76 CO 0.02 0.46 0.38 -0.47 -0.85 0.00 0.00 174.74 174.27 1j0f s TYR 77 N -1.42 3.36 0.00 1.40 5.04 -1.26 -0.24 117.35 124.23 1j0f s TYR 77 Ca 0.22 -1.65 0.00 0.00 -2.44 0.00 0.00 57.07 53.20 1j0f s TYR 77 Cb -0.10 -3.51 0.00 0.00 0.35 0.00 0.00 41.96 38.70 1j0f s TYR 77 CO 0.14 -0.98 0.86 0.00 -1.34 0.00 0.00 175.55 174.23 1j0f n GLY 79 N -0.88 -0.53 3.91 0.00 0.00 -1.13 -4.97 105.19 101.60 1j0f n GLY 79 Ca 0.00 -0.89 -0.22 0.00 0.00 0.00 0.00 46.02 44.91 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 4.95 0.38 1.61 -4.77 -1.26 -1.68 116.67 111.90 1j0f s ASP 80 Ca 0.00 -0.90 0.17 0.00 -3.30 0.00 0.00 52.55 48.52 1j0f s ASP 80 Cb 0.00 -0.15 1.07 0.00 -1.09 0.00 0.00 42.92 42.75 1j0f s ASP 80 CO 0.00 -0.89 1.75 0.22 0.70 0.00 0.00 175.17 176.94 1j0f h TYR 81 N 0.81 0.74 0.12 2.11 5.03 -1.92 -1.88 116.97 121.98 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 -0.21 -0.00 0.00 1.55 0.00 0.00 36.73 39.35 1j0f h TYR 81 CO 0.64 0.04 -0.07 0.93 -1.32 0.00 0.00 178.16 178.37 1j0f h GLU 82 N 0.41 -0.17 -0.99 1.82 5.08 -1.95 -2.03 114.58 116.76 1j0f h GLU 82 Ca 0.63 0.01 0.17 0.00 -1.00 0.00 0.00 59.36 59.17 1j0f h GLU 82 Cb 1.52 0.04 -0.17 0.00 0.50 0.00 0.00 28.75 30.64 1j0f h GLU 82 CO -0.36 -0.11 -0.35 -0.07 -1.00 0.00 0.00 179.01 177.12 1j0f h LEU 83 N -0.17 -1.29 -0.65 1.33 4.07 -1.78 0.34 115.31 117.17 1j0f h LEU 83 Ca -0.02 0.31 0.09 0.00 0.08 0.00 0.00 57.88 58.34 1j0f h LEU 83 Cb 0.14 0.72 -0.11 0.00 1.08 0.00 0.00 40.66 42.49 1j0f h LEU 83 CO 0.02 -0.30 -0.47 0.15 -1.08 0.00 0.00 178.44 176.76 1j0f h PHE 84 N -0.00 -1.41 -0.50 1.13 3.57 -1.22 0.26 116.94 118.76 1j0f h PHE 84 Ca 0.38 0.09 0.10 0.00 3.53 0.00 0.00 57.97 62.07 1j0f h PHE 84 Cb 0.64 0.71 -0.08 0.00 2.79 0.00 0.00 35.95 40.00 1j0f h PHE 84 CO -0.84 -0.43 0.01 -0.24 -2.23 0.00 0.00 178.31 174.58 1j0f h VAL 85 N -0.20 0.61 -0.41 1.41 3.04 0.39 1.09 116.25 122.17 1j0f h VAL 85 Ca 0.17 -0.04 0.09 0.00 -1.01 0.00 0.00 66.70 65.91 1j0f h VAL 85 Cb 0.55 0.48 -0.08 0.00 -2.01 0.00 0.00 31.29 30.22 1j0f h VAL 85 CO -0.73 0.02 -0.15 -0.33 -1.01 0.00 0.00 177.57 175.36 1j0f h GLU 86 N 0.12 -0.06 0.59 4.17 5.08 0.59 0.79 114.58 125.86 1j0f h GLU 86 Ca 0.25 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.59 1j0f h GLU 86 Cb 0.38 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.65 1j0f h GLU 86 CO -0.41 -0.04 -0.28 0.00 -1.00 0.00 0.00 179.01 177.27 1j0f h ALA 87 N 1.29 -0.83 -0.96 3.43 0.00 0.60 0.27 119.26 123.06 1j0f h ALA 87 Ca 0.20 -0.17 0.23 0.00 0.00 0.00 0.00 54.91 55.17 1j0f h ALA 87 Cb 0.37 0.30 -0.18 0.00 0.00 0.00 0.00 17.79 18.29 1j0f h ALA 87 CO -0.46 -0.77 -0.08 0.28 0.00 0.00 0.00 179.25 178.22 1j0f h VAL 88 N -1.15 0.06 -0.26 0.00 2.07 0.14 1.44 116.25 118.55 1j0f h VAL 88 Ca -0.08 -0.01 -0.06 0.00 0.82 0.00 0.00 66.70 67.38 1j0f h VAL 88 Cb 0.60 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 1j0f h VAL 88 CO 0.13 0.00 -0.05 -0.33 0.02 0.00 0.00 177.57 177.34 1j0f h GLU 89 N 0.01 0.50 0.00 1.57 5.08 0.63 -2.21 114.58 120.17 1j0f h GLU 89 Ca 0.53 -0.19 0.00 0.00 -1.00 0.00 0.00 59.36 58.71 1j0f h GLU 89 Cb 0.99 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.21 1j0f h GLU 89 CO -0.93 0.71 0.00 1.04 -1.00 0.00 0.00 179.01 178.83 1j0f n GLN 90 N -4.55 0.00 -1.96 2.33 1.13 0.28 -4.82 117.38 109.80 1j0f n GLN 90 Ca -0.04 0.31 -0.08 0.00 -1.94 0.00 0.00 57.00 55.25 1j0f n GLN 90 Cb 0.29 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 29.13 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 -1.49 -3.21 -1.65 1.08 2.03 0.42 -4.91 116.55 108.81 1j0f n ASP 91 Ca 0.03 0.04 -0.08 0.00 0.52 0.00 0.00 54.79 55.30 1j0f n ASP 91 Cb 0.13 -2.27 0.08 0.00 -0.72 0.00 0.00 41.12 38.34 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 -3.73 1.96 0.28 5.18 -2.24 -0.29 -4.76 114.28 110.68 1j0f n THR 92 Ca -0.10 -3.37 0.14 0.00 -2.27 0.00 0.00 64.05 58.46 1j0f n THR 92 Cb 0.51 -0.25 0.84 0.00 -2.10 0.00 0.00 70.33 69.33 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 1.75 0.00 -0.04 3.22 5.85 -1.86 -0.78 115.31 123.45 1j0f h LEU 93 Ca 0.11 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.64 1j0f h LEU 93 Cb 1.37 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.42 1j0f h LEU 93 CO 0.36 0.05 -0.71 1.56 -0.34 0.00 0.00 178.44 179.37 1j0f h GLN 94 N 0.00 0.55 -0.22 1.25 4.20 -1.91 -2.92 115.11 116.06 1j0f h GLN 94 Ca -0.00 -0.54 -0.02 0.00 0.06 0.00 0.00 58.65 58.15 1j0f h GLN 94 Cb 0.15 0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 1j0f h GLN 94 CO 0.01 1.17 0.05 1.49 -0.67 0.00 0.00 178.83 180.87 1j0f h GLU 95 N 0.15 0.35 -0.15 1.46 4.81 -1.63 -2.97 114.58 116.59 1j0f h GLU 95 Ca -0.08 -0.08 0.05 0.00 -0.13 0.00 0.00 59.36 59.12 1j0f h GLU 95 Cb 1.38 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 30.65 1j0f h GLU 95 CO 0.14 0.47 -0.30 0.35 -0.73 0.00 0.00 179.01 178.94 1j0f h PHE 96 N 0.17 -0.81 -3.04 0.92 3.57 -1.25 -3.43 116.94 113.07 1j0f h PHE 96 Ca 0.07 0.04 -0.31 0.00 3.53 0.00 0.00 57.97 61.29 1j0f h PHE 96 Cb 0.28 0.38 0.15 0.00 2.79 0.00 0.00 35.95 39.54 1j0f h PHE 96 CO 0.01 -0.38 0.14 1.28 -2.23 0.00 0.00 178.31 177.14 1j0f n LEU 97 N -5.40 0.00 -2.68 0.59 4.77 -1.10 -4.85 117.00 108.33 1j0f n LEU 97 Ca -0.03 -0.94 -0.33 0.00 -0.03 0.00 0.00 56.01 54.68 1j0f n LEU 97 Cb 0.31 -0.77 -0.01 0.00 -2.33 0.00 0.00 43.42 40.62 1j0f n LEU 97 CO 0.16 -1.75 1.56 1.17 -1.33 0.00 0.00 177.39 177.19 1j0f n LYS 98 N -3.88 2.56 -0.12 3.23 3.00 -1.26 -4.30 118.16 117.39 1j0f n LYS 98 Ca 0.12 -2.89 -0.25 0.00 -0.00 0.00 0.00 58.31 55.29 1j0f n LYS 98 Cb 0.45 -2.20 -0.09 0.00 0.00 0.00 0.00 35.03 33.19 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 0.20 1.87 0.00 3.14 4.77 -1.22 -4.99 117.00 120.77 1j0f n LEU 99 Ca 0.51 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.74 1j0f n LEU 99 Cb 0.40 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 1j0f n LEU 99 CO 0.42 0.55 0.00 0.00 -1.33 0.00 0.00 177.39 177.03