#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 -0.16 -1.20 1.61 0.01 -1.26 -5.07 113.70 107.64 1j0f s SER 2 Ca 0.00 -0.77 -0.21 0.00 1.31 0.00 0.00 55.95 56.27 1j0f s SER 2 Cb 0.00 0.62 -0.03 0.00 0.21 0.00 0.00 66.02 66.82 1j0f s SER 2 CO 0.00 -1.17 1.85 -0.70 0.41 0.00 0.00 173.24 173.63 1j0f s GLU 3 N -3.97 3.02 0.00 12.44 -6.30 -1.26 -4.72 118.70 117.91 1j0f s GLU 3 Ca 0.17 -1.37 0.00 0.00 -2.50 0.00 0.00 54.97 51.27 1j0f s GLU 3 Cb -0.02 -5.33 0.00 0.00 0.00 0.00 0.00 34.13 28.78 1j0f s GLU 3 CO 0.06 -3.32 0.00 0.41 0.02 0.00 0.00 175.26 172.43 1j0f n GLY 4 N 5.79 4.58 2.04 -1.50 0.00 -1.26 -5.12 105.19 109.73 1j0f n GLY 4 Ca 0.45 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1j0f n GLY 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1j0f n ALA 5 N -3.00 2.47 -2.81 4.61 0.00 -1.26 -5.12 120.51 115.40 1j0f n ALA 5 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1j0f n ALA 5 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1j0f n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j0f n ALA 6 N -3.42 -3.10 -3.61 0.00 0.00 -1.26 -5.05 120.51 104.07 1j0f n ALA 6 Ca 0.00 0.76 -0.03 0.00 0.00 0.00 0.00 53.44 54.17 1j0f n ALA 6 Cb 0.00 -1.62 -0.05 0.00 0.00 0.00 0.00 19.45 17.77 1j0f n ALA 6 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1j0f s THR 7 N -1.22 -0.44 -0.31 0.00 -1.32 -1.26 -5.14 115.64 105.95 1j0f s THR 7 Ca -0.06 0.00 -0.17 0.00 -1.21 0.00 0.00 61.69 60.25 1j0f s THR 7 Cb 0.00 -1.00 -0.02 0.00 -1.51 0.00 0.00 72.50 69.98 1j0f s THR 7 CO 0.59 0.00 0.47 -0.04 -2.21 0.00 0.00 174.62 173.43 1j0f s MET 8 N 2.18 3.80 0.06 7.08 -1.94 -1.26 -5.04 119.30 124.17 1j0f s MET 8 Ca -0.07 -0.04 -0.07 0.00 -1.71 0.00 0.00 55.69 53.80 1j0f s MET 8 Cb -0.07 -3.74 -0.01 0.00 2.01 0.00 0.00 34.83 33.01 1j0f s MET 8 CO -0.18 -0.49 0.13 -1.54 -0.01 0.00 0.00 175.02 172.92 1j0f s SER 9 N 1.69 0.18 -0.45 3.03 1.04 -1.26 -5.03 113.70 112.90 1j0f s SER 9 Ca 0.18 -0.63 0.05 0.00 0.48 0.00 0.00 55.95 56.04 1j0f s SER 9 Cb -0.16 0.27 0.18 0.00 0.10 0.00 0.00 66.02 66.41 1j0f s SER 9 CO 0.12 -0.61 0.52 -0.83 0.98 0.00 0.00 173.24 173.42 1j0f s GLY 10 N -2.51 -0.08 0.01 7.32 0.00 -1.26 -4.86 107.32 105.93 1j0f s GLY 10 Ca 0.01 -1.34 -0.30 0.00 0.00 0.00 0.00 44.72 43.09 1j0f s GLY 10 CO -0.08 2.91 1.23 -2.27 0.00 0.00 0.00 173.10 174.89 1j0f s LEU 11 N 0.60 4.33 -0.06 0.66 1.98 -1.25 0.12 118.68 125.06 1j0f s LEU 11 Ca 0.30 1.96 0.01 0.00 -2.89 0.00 0.00 54.13 53.51 1j0f s LEU 11 Cb -0.00 -3.57 0.02 0.00 0.66 0.00 0.00 46.19 43.30 1j0f s LEU 11 CO -0.11 -0.55 -0.06 -0.13 -1.89 0.00 0.00 176.35 173.61 1j0f s ARG 12 N 1.70 1.02 -0.48 1.98 0.52 0.14 -0.64 118.95 123.19 1j0f s ARG 12 Ca 0.59 -0.15 -0.09 0.00 -0.52 0.00 0.00 55.73 55.55 1j0f s ARG 12 Cb -0.28 -1.01 0.12 0.00 0.52 0.00 0.00 34.95 34.30 1j0f s ARG 12 CO 0.26 -0.09 0.35 0.08 0.02 0.00 0.00 175.30 175.91 1j0f s VAL 13 N 1.02 4.18 -0.84 3.52 1.01 -0.42 -0.56 120.40 128.32 1j0f s VAL 13 Ca -0.09 -1.84 -0.25 0.00 0.00 0.00 0.00 61.98 59.80 1j0f s VAL 13 Cb -0.14 -3.76 0.00 0.00 0.00 0.00 0.00 36.38 32.49 1j0f s VAL 13 CO -0.00 -0.78 1.63 -0.31 0.00 0.00 0.00 175.10 175.64 1j0f s TYR 14 N 1.30 2.09 0.30 5.22 1.51 0.60 -1.03 117.35 127.34 1j0f s TYR 14 Ca 0.06 0.08 0.08 0.00 -1.01 0.00 0.00 57.07 56.28 1j0f s TYR 14 Cb -0.26 -4.38 -0.04 0.00 -0.11 0.00 0.00 41.96 37.18 1j0f s TYR 14 CO -0.01 -2.00 0.14 -1.54 -1.11 0.00 0.00 175.55 171.03 1j0f s SER 15 N 6.18 4.91 0.18 2.29 1.04 0.00 -2.49 113.70 125.81 1j0f s SER 15 Ca 0.54 -0.59 0.11 0.00 0.48 0.00 0.00 55.95 56.49 1j0f s SER 15 Cb -0.06 -0.93 -0.04 0.00 0.10 0.00 0.00 66.02 65.09 1j0f s SER 15 CO 0.05 -0.18 -0.24 0.28 0.98 0.00 0.00 173.24 174.12 1j0f s THR 16 N -2.32 2.30 -0.04 2.02 -1.32 -1.26 -2.03 115.64 112.98 1j0f s THR 16 Ca 0.36 -1.97 0.01 0.00 -1.21 0.00 0.00 61.69 58.88 1j0f s THR 16 Cb -0.05 -2.08 -0.04 0.00 -1.51 0.00 0.00 72.50 68.83 1j0f s THR 16 CO 0.23 -0.09 -0.02 -0.24 -2.21 0.00 0.00 174.62 172.29 1j0f n SER 17 N 0.40 3.81 -3.38 8.08 2.88 -1.26 -4.74 113.62 119.42 1j0f n SER 17 Ca -0.14 -0.02 -0.39 0.00 -1.33 0.00 0.00 58.87 56.99 1j0f n SER 17 Cb 0.55 0.17 -0.02 0.00 -0.75 0.00 0.00 64.21 64.16 1j0f n SER 17 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1j0f n VAL 18 N -2.45 4.59 -4.35 2.46 0.24 -1.26 -4.87 118.33 112.69 1j0f n VAL 18 Ca -0.07 -3.14 -0.18 0.00 -2.04 0.00 0.00 64.34 58.90 1j0f n VAL 18 Cb 0.60 -2.45 -0.10 0.00 -1.47 0.00 0.00 33.84 30.42 1j0f n VAL 18 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 1j0f s THR 19 N 1.16 1.51 -0.05 3.34 -1.32 -1.26 -5.07 115.64 113.95 1j0f s THR 19 Ca 0.64 -2.13 -0.02 0.00 -1.21 0.00 0.00 61.69 58.97 1j0f s THR 19 Cb 0.18 -2.18 -0.02 0.00 -1.51 0.00 0.00 72.50 68.97 1j0f s THR 19 CO -0.07 -0.49 -0.07 0.61 -2.21 0.00 0.00 174.62 172.39 1j0f n GLY 20 N -0.42 -0.08 3.66 6.08 0.00 -1.26 -5.01 105.19 108.16 1j0f n GLY 20 Ca -0.07 -0.03 -0.51 0.00 0.00 0.00 0.00 46.02 45.41 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 -3.14 2.57 0.01 1.61 7.64 -1.26 -4.85 113.62 116.19 1j0f n SER 21 Ca -0.10 1.07 -0.08 0.00 1.01 0.00 0.00 58.87 60.76 1j0f n SER 21 Cb 0.58 -1.27 0.08 0.00 -1.01 0.00 0.00 64.21 62.59 1j0f n SER 21 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 1j0f h ARG 22 N 6.60 0.54 -0.34 1.43 2.43 -2.00 -3.17 114.38 119.87 1j0f h ARG 22 Ca -0.47 -0.31 0.08 0.00 -0.81 0.00 0.00 59.98 58.47 1j0f h ARG 22 Cb 1.30 0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 30.79 1j0f h ARG 22 CO 0.89 0.91 -0.24 0.93 -1.51 0.00 0.00 179.97 180.94 1j0f h GLU 23 N 0.42 -0.19 0.20 0.20 3.07 -1.99 0.40 114.58 116.69 1j0f h GLU 23 Ca 0.02 0.01 0.01 0.00 -0.50 0.00 0.00 59.36 58.90 1j0f h GLU 23 Cb 1.01 0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.93 1j0f h GLU 23 CO 0.09 -0.13 -0.46 0.82 -1.40 0.00 0.00 179.01 177.94 1j0f h ILE 24 N -0.20 0.10 -0.23 3.13 2.04 -1.88 -0.43 117.51 120.04 1j0f h ILE 24 Ca 0.17 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.07 1j0f h ILE 24 Cb 0.47 0.10 -0.07 0.00 -0.74 0.00 0.00 36.82 36.57 1j0f h ILE 24 CO -0.46 0.00 -0.49 0.11 0.00 0.00 0.00 178.15 177.31 1j0f h LYS 25 N -0.75 -0.47 -0.88 2.37 1.57 -1.34 -0.25 116.57 116.83 1j0f h LYS 25 Ca -0.00 0.03 0.12 0.00 -1.87 0.00 0.00 60.65 58.93 1j0f h LYS 25 Cb 0.74 0.11 -0.14 0.00 0.08 0.00 0.00 32.23 33.01 1j0f h LYS 25 CO -0.21 -0.31 -0.43 0.77 -0.57 0.00 0.00 179.45 178.70 1j0f h SER 26 N -0.48 -1.56 -0.86 0.86 0.02 0.22 1.07 113.55 112.82 1j0f h SER 26 Ca 0.07 0.29 0.15 0.00 -0.84 0.00 0.00 61.79 61.46 1j0f h SER 26 Cb 0.64 0.76 -0.09 0.00 0.14 0.00 0.00 62.40 63.85 1j0f h SER 26 CO -0.48 -0.29 0.45 1.56 -1.14 0.00 0.00 176.83 176.92 1j0f h GLN 27 N -0.06 0.61 0.53 3.45 4.20 0.26 0.66 115.11 124.77 1j0f h GLN 27 Ca 0.27 -0.04 -0.03 0.00 0.06 0.00 0.00 58.65 58.92 1j0f h GLN 27 Cb 0.55 -0.14 0.01 0.00 0.30 0.00 0.00 27.48 28.20 1j0f h GLN 27 CO -0.89 0.40 -0.25 1.96 -0.67 0.00 0.00 178.83 179.38 1j0f h GLN 28 N 0.63 -0.69 -0.70 1.46 4.20 0.25 0.39 115.11 120.66 1j0f h GLN 28 Ca 0.47 0.05 0.10 0.00 0.06 0.00 0.00 58.65 59.33 1j0f h GLN 28 Cb 0.67 0.16 -0.08 0.00 0.30 0.00 0.00 27.48 28.53 1j0f h GLN 28 CO -0.37 -0.38 0.32 0.77 -0.67 0.00 0.00 178.83 178.50 1j0f h SER 29 N -0.94 0.37 0.59 1.46 0.02 0.66 -1.02 113.55 114.70 1j0f h SER 29 Ca -0.07 0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.92 1j0f h SER 29 Cb 0.62 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.18 1j0f h SER 29 CO 0.12 0.20 -0.33 -0.33 -1.14 0.00 0.00 176.83 175.35 1j0f h GLU 30 N 0.53 -0.82 -0.91 3.45 5.08 0.40 0.36 114.58 122.66 1j0f h GLU 30 Ca 0.36 0.06 0.10 0.00 -1.00 0.00 0.00 59.36 58.87 1j0f h GLU 30 Cb 0.43 0.19 -0.13 0.00 0.50 0.00 0.00 28.75 29.74 1j0f h GLU 30 CO -0.31 -0.55 -0.52 0.28 -1.00 0.00 0.00 179.01 176.91 1j0f h VAL 31 N -0.86 0.01 -0.81 3.13 2.07 -0.59 0.90 116.25 120.10 1j0f h VAL 31 Ca -0.08 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.53 1j0f h VAL 31 Cb 0.67 0.01 -0.07 0.00 -1.52 0.00 0.00 31.29 30.38 1j0f h VAL 31 CO 0.10 0.00 0.46 0.71 0.02 0.00 0.00 177.57 178.86 1j0f h THR 32 N -0.05 0.91 0.22 2.57 1.35 -1.09 0.26 112.91 117.08 1j0f h THR 32 Ca 0.20 -0.27 -0.00 0.00 -0.55 0.00 0.00 66.41 65.79 1j0f h THR 32 Cb 0.49 0.06 -0.02 0.00 -1.73 0.00 0.00 68.15 66.95 1j0f h THR 32 CO -0.90 0.14 -0.31 -0.09 -0.25 0.00 0.00 175.52 174.11 1j0f h ARG 33 N 0.78 -0.53 -0.37 4.72 1.12 0.49 1.45 114.38 122.05 1j0f h ARG 33 Ca 0.39 0.04 0.08 0.00 -1.11 0.00 0.00 59.98 59.37 1j0f h ARG 33 Cb 0.35 0.12 -0.08 0.00 -0.01 0.00 0.00 29.97 30.35 1j0f h ARG 33 CO -0.24 -0.35 -0.20 0.82 -3.11 0.00 0.00 179.97 176.88 1j0f h ILE 34 N -0.55 0.42 -0.95 1.20 2.04 -0.48 0.56 117.51 119.75 1j0f h ILE 34 Ca -0.03 0.00 0.10 0.00 1.00 0.00 0.00 64.86 65.93 1j0f h ILE 34 Cb 0.50 0.42 -0.08 0.00 -0.74 0.00 0.00 36.82 36.92 1j0f h ILE 34 CO -0.08 0.00 0.59 -0.07 0.00 0.00 0.00 178.15 178.58 1j0f h LEU 35 N -0.15 0.88 0.51 1.44 3.38 -0.62 0.96 115.31 121.72 1j0f h LEU 35 Ca 0.18 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.17 1j0f h LEU 35 Cb 0.43 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1j0f h LEU 35 CO -0.46 0.50 -0.24 0.44 0.09 0.00 0.00 178.44 178.77 1j0f h ASP 36 N 0.98 -0.58 -0.65 -0.43 3.32 0.53 0.83 116.42 120.42 1j0f h ASP 36 Ca 0.45 -0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.50 1j0f h ASP 36 Cb 0.38 0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.03 1j0f h ASP 36 CO -0.24 -0.33 0.41 1.23 -1.72 0.00 0.00 179.24 178.59 1j0f h GLY 37 N -0.79 0.94 2.00 2.75 0.00 0.70 0.18 103.07 108.86 1j0f h GLY 37 Ca -0.07 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 46.95 1j0f h GLY 37 CO 0.11 0.27 0.00 0.28 0.00 0.00 0.00 176.54 177.20 1j0f n LYS 38 N -4.69 0.00 -3.59 4.80 5.02 0.33 -4.86 118.16 115.16 1j0f n LYS 38 Ca 0.06 0.30 -0.20 0.00 -2.02 0.00 0.00 58.31 56.46 1j0f n LYS 38 Cb 0.08 -1.50 0.06 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 -1.50 -5.57 -3.52 1.97 5.12 0.64 -4.97 116.66 108.84 1j0f n ARG 39 Ca 0.03 0.71 -0.37 0.00 -1.93 0.00 0.00 57.85 56.29 1j0f n ARG 39 Cb 0.13 -5.45 -0.06 0.00 -1.16 0.00 0.00 32.46 25.92 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 -3.55 5.05 -0.46 0.55 1.01 0.08 -5.04 121.20 118.85 1j0f s ILE 40 Ca 0.00 0.73 -0.26 0.00 0.00 0.00 0.00 60.65 61.13 1j0f s ILE 40 Cb -0.00 -3.69 0.03 0.00 0.01 0.00 0.00 42.46 38.81 1j0f s ILE 40 CO 0.78 0.50 0.96 -1.10 0.00 0.00 0.00 174.94 176.08 1j0f s GLN 41 N -1.31 3.59 0.25 2.79 -1.52 -1.26 -4.81 119.66 117.38 1j0f s GLN 41 Ca 0.26 0.26 -0.09 0.00 -1.95 0.00 0.00 55.36 53.84 1j0f s GLN 41 Cb -0.16 -3.91 -0.01 0.00 -0.22 0.00 0.00 33.01 28.71 1j0f s GLN 41 CO 0.14 -1.23 0.39 1.52 -0.25 0.00 0.00 175.29 175.87 1j0f s TYR 42 N 3.85 0.62 -0.08 0.91 -0.85 -1.26 -4.11 117.35 116.43 1j0f s TYR 42 Ca 0.39 -0.94 0.02 0.00 -0.52 0.00 0.00 57.07 56.02 1j0f s TYR 42 Cb -0.10 -0.02 0.01 0.00 0.38 0.00 0.00 41.96 42.24 1j0f s TYR 42 CO 0.27 -0.92 -0.14 -1.14 -1.52 0.00 0.00 175.55 172.09 1j0f s GLN 43 N -3.95 1.96 -0.30 -3.49 0.74 0.19 -4.98 119.66 109.82 1j0f s GLN 43 Ca 0.27 -0.49 -0.29 0.00 0.05 0.00 0.00 55.36 54.90 1j0f s GLN 43 Cb 0.01 -1.63 0.00 0.00 1.10 0.00 0.00 33.01 32.49 1j0f s GLN 43 CO 0.11 0.00 1.24 -1.17 -0.55 0.00 0.00 175.29 174.92 1j0f s LEU 44 N 0.78 3.91 -0.23 3.68 2.96 -1.26 -1.30 118.68 127.22 1j0f s LEU 44 Ca -0.12 1.18 -0.10 0.00 -0.22 0.00 0.00 54.13 54.88 1j0f s LEU 44 Cb -0.16 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 42.95 1j0f s LEU 44 CO 0.02 -1.02 0.13 -0.69 -1.32 0.00 0.00 176.35 173.47 1j0f s VAL 45 N 4.16 5.15 -0.39 1.68 1.01 -0.20 -4.93 120.40 126.88 1j0f s VAL 45 Ca 0.53 0.10 -0.18 0.00 0.00 0.00 0.00 61.98 62.44 1j0f s VAL 45 Cb -0.16 -3.38 0.01 0.00 0.00 0.00 0.00 36.38 32.85 1j0f s VAL 45 CO 0.21 0.37 0.47 -0.62 0.00 0.00 0.00 175.10 175.54 1j0f s ASP 46 N 0.94 6.25 0.14 3.32 -1.08 -1.26 -0.81 116.67 124.16 1j0f s ASP 46 Ca 0.06 -0.34 0.06 0.00 -0.52 0.00 0.00 52.55 51.82 1j0f s ASP 46 Cb -0.13 -2.25 -0.12 0.00 -1.46 0.00 0.00 42.92 38.97 1j0f s ASP 46 CO 0.03 -0.53 1.33 0.16 0.52 0.00 0.00 175.17 176.68 1j0f h ILE 47 N 5.68 1.64 0.00 4.11 3.07 -1.72 -3.03 117.51 127.25 1j0f h ILE 47 Ca -0.27 -3.14 0.00 0.00 1.55 0.00 0.00 64.86 63.00 1j0f h ILE 47 Cb 1.12 2.72 0.00 0.00 -0.27 0.00 0.00 36.82 40.39 1j0f h ILE 47 CO 0.78 0.90 0.00 0.77 -1.05 0.00 0.00 178.15 179.55 1j0f h SER 48 N 0.02 0.00 0.33 2.16 4.64 -1.91 -2.62 113.55 116.16 1j0f h SER 48 Ca -0.02 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.28 1j0f h SER 48 Cb 1.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.76 1j0f h SER 48 CO 0.13 0.00 -0.16 1.56 -0.87 0.00 0.00 176.83 177.49 1j0f h GLN 49 N 0.00 -0.43 -4.96 4.77 1.08 -1.91 -3.42 115.11 110.24 1j0f h GLN 49 Ca 0.00 0.03 -0.67 0.00 -1.45 0.00 0.00 58.65 56.56 1j0f h GLN 49 Cb 0.13 0.10 -0.35 0.00 -0.05 0.00 0.00 27.48 27.30 1j0f h GLN 49 CO 0.00 -0.10 -0.82 0.34 -0.95 0.00 0.00 178.83 177.30 1j0f s ASP 50 N -5.09 3.84 0.45 1.46 2.15 -0.99 -4.97 116.67 113.53 1j0f s ASP 50 Ca -0.13 -0.99 0.29 0.00 0.43 0.00 0.00 52.55 52.15 1j0f s ASP 50 Cb 0.01 -1.54 1.37 0.00 -0.30 0.00 0.00 42.92 42.47 1j0f s ASP 50 CO 0.48 -0.10 1.70 -1.13 -0.17 0.00 0.00 175.17 175.95 1j0f h ASN 51 N 7.88 0.24 0.05 -0.34 -0.73 -1.82 0.31 115.58 121.17 1j0f h ASN 51 Ca -0.33 0.08 0.02 0.00 1.87 0.00 0.00 56.30 57.94 1j0f h ASN 51 Cb 1.09 0.05 -0.05 0.00 0.27 0.00 0.00 38.32 39.69 1j0f h ASN 51 CO 0.56 -0.04 -0.43 0.00 -0.37 0.00 0.00 177.43 177.15 1j0f h ALA 52 N 1.52 -0.73 -0.98 1.57 0.00 -1.93 -1.98 119.26 116.74 1j0f h ALA 52 Ca 0.70 -0.06 0.12 0.00 0.00 0.00 0.00 54.91 55.67 1j0f h ALA 52 Cb 2.25 0.75 -0.14 0.00 0.00 0.00 0.00 17.79 20.65 1j0f h ALA 52 CO -0.26 -0.98 -0.50 -0.07 0.00 0.00 0.00 179.25 177.43 1j0f h LEU 53 N -0.62 -1.85 -0.92 0.00 3.38 -0.63 1.18 115.31 115.85 1j0f h LEU 53 Ca 0.03 0.32 0.30 0.00 0.09 0.00 0.00 57.88 58.62 1j0f h LEU 53 Cb 0.67 0.87 -0.17 0.00 0.09 0.00 0.00 40.66 42.12 1j0f h LEU 53 CO -0.29 -0.26 0.20 -1.14 0.09 0.00 0.00 178.44 177.04 1j0f n ARG 54 N -5.35 -0.07 0.01 1.13 0.63 -0.76 0.13 116.66 112.39 1j0f n ARG 54 Ca 0.05 1.34 -0.02 0.00 -0.92 0.00 0.00 57.85 58.30 1j0f n ARG 54 Cb 0.32 -2.23 -0.01 0.00 0.45 0.00 0.00 32.46 31.00 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 -0.10 -0.94 6.15 1.82 0.13 -3.03 116.42 120.45 1j0f h ASP 55 Ca 0.64 0.00 0.27 0.00 -0.39 0.00 0.00 57.03 57.55 1j0f h ASP 55 Cb 1.49 0.03 -0.17 0.00 0.68 0.00 0.00 39.33 41.36 1j0f h ASP 55 CO -0.81 0.28 0.05 -0.62 -1.61 0.00 0.00 179.24 176.53 1j0f n GLU 56 N -4.27 -0.07 -0.14 0.28 4.71 0.13 0.17 120.64 121.45 1j0f n GLU 56 Ca -0.02 1.40 -0.07 0.00 -0.01 0.00 0.00 57.16 58.46 1j0f n GLU 56 Cb 0.05 -2.24 0.01 0.00 -1.01 0.00 0.00 31.44 28.25 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 0.54 -0.40 3.49 4.05 0.97 -1.33 114.93 122.25 1j0f h MET 57 Ca 0.59 -0.03 -0.02 0.00 -0.28 0.00 0.00 59.70 59.95 1j0f h MET 57 Cb 1.24 -0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.90 1j0f h MET 57 CO -0.87 0.36 0.17 0.00 0.23 0.00 0.00 176.91 176.80 1j0f h ARG 58 N 0.56 0.59 0.21 0.39 3.08 0.19 -0.04 114.38 119.35 1j0f h ARG 58 Ca 0.17 -0.10 0.01 0.00 0.07 0.00 0.00 59.98 60.13 1j0f h ARG 58 Cb -0.03 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 29.88 1j0f h ARG 58 CO -0.06 0.54 -0.44 1.15 -1.07 0.00 0.00 179.97 180.09 1j0f h THR 59 N 0.51 0.12 0.11 2.04 2.02 -0.16 0.18 112.91 117.73 1j0f h THR 59 Ca 0.14 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.33 1j0f h THR 59 Cb 0.16 0.12 -0.03 0.00 -1.74 0.00 0.00 68.15 66.66 1j0f h THR 59 CO -0.01 0.00 -0.26 -0.07 0.37 0.00 0.00 175.52 175.55 1j0f h LEU 60 N -0.74 -0.73 -1.51 2.58 3.38 -1.18 0.22 115.31 117.34 1j0f h LEU 60 Ca -0.00 0.09 0.33 0.00 0.09 0.00 0.00 57.88 58.39 1j0f h LEU 60 Cb 0.72 0.28 -0.09 0.00 0.09 0.00 0.00 40.66 41.66 1j0f h LEU 60 CO -0.20 -0.35 0.77 0.00 0.09 0.00 0.00 178.44 178.75 1j0f h ALA 61 N 0.29 2.56 -0.46 1.53 0.00 -0.63 -3.45 119.26 119.09 1j0f h ALA 61 Ca 0.03 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1j0f h ALA 61 Cb 0.49 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1j0f h ALA 61 CO -0.15 -1.02 0.00 0.41 0.00 0.00 0.00 179.25 178.49 1j0f n GLY 62 N -1.55 0.97 3.60 0.00 0.00 0.49 -5.08 105.19 103.63 1j0f n GLY 62 Ca 0.29 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.00 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 -2.45 -0.29 0.20 1.61 2.47 -0.45 -5.04 114.94 111.00 1j0f s ASN 63 Ca 0.00 0.46 0.07 0.00 0.42 0.00 0.00 52.86 53.80 1j0f s ASN 63 Cb 0.00 1.15 0.12 0.00 -1.45 0.00 0.00 41.25 41.07 1j0f s ASN 63 CO 0.00 -0.07 1.47 1.55 -3.72 0.00 0.00 177.10 176.33 1j0f h PRO 64 N 5.83 0.08 -1.41 0.43 0.13 -1.96 -3.14 132.00 131.97 1j0f h PRO 64 Ca -0.25 -0.08 -0.42 0.00 -0.87 0.00 0.00 66.00 64.38 1j0f h PRO 64 Cb 1.17 0.02 -0.18 0.00 0.13 0.00 0.00 31.00 32.14 1j0f h PRO 64 CO 0.20 0.81 0.53 1.63 -0.23 0.00 0.00 178.00 180.94 1j0f n LYS 65 N -3.67 2.04 -2.75 0.86 4.76 -1.26 -4.92 118.16 113.21 1j0f n LYS 65 Ca -0.02 -2.01 -0.20 0.00 -2.87 0.00 0.00 58.31 53.21 1j0f n LYS 65 Cb 0.74 -1.79 0.04 0.00 -1.84 0.00 0.00 35.03 32.18 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 -2.31 4.09 0.14 7.82 0.00 -1.19 -5.13 121.76 125.18 1j0f s ALA 66 Ca 0.40 -1.55 -0.18 0.00 0.00 0.00 0.00 51.96 50.63 1j0f s ALA 66 Cb 0.31 -1.90 0.04 0.00 0.00 0.00 0.00 23.12 21.57 1j0f s ALA 66 CO -0.01 -0.77 0.46 0.95 0.00 0.00 0.00 175.76 176.39 1j0f s THR 67 N -2.72 0.05 0.85 0.00 -4.23 -1.26 -5.00 115.64 103.33 1j0f s THR 67 Ca 0.59 -0.47 -0.12 0.00 -1.18 0.00 0.00 61.69 60.51 1j0f s THR 67 Cb -0.09 -1.18 0.10 0.00 1.34 0.00 0.00 72.50 72.67 1j0f s THR 67 CO 0.38 -0.21 1.12 -2.16 -0.54 0.00 0.00 174.62 173.20 1j0f s PRO 68 N -3.80 1.65 0.80 3.99 0.04 -1.26 -4.67 135.00 131.74 1j0f s PRO 68 Ca 0.03 0.48 -0.14 0.00 0.04 0.00 0.00 61.00 61.41 1j0f s PRO 68 Cb 0.01 -1.88 0.19 0.00 0.04 0.00 0.00 34.50 32.86 1j0f s PRO 68 CO -0.11 -1.89 0.88 -0.35 0.04 0.00 0.00 177.00 175.58 1j0f n PRO 69 N -3.59 -1.74 -3.37 0.56 -0.04 -1.26 -4.85 135.00 120.71 1j0f n PRO 69 Ca 0.07 -1.39 -0.00 0.00 -0.04 0.00 0.00 63.50 62.14 1j0f n PRO 69 Cb 0.58 -1.09 -0.04 0.00 -0.04 0.00 0.00 33.50 32.91 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 -4.97 0.52 0.03 0.54 2.00 -1.04 -4.19 119.66 112.55 1j0f s GLN 70 Ca 0.53 1.08 -0.20 0.00 -2.00 0.00 0.00 55.36 54.77 1j0f s GLN 70 Cb -0.03 0.49 -0.06 0.00 0.80 0.00 0.00 33.01 34.21 1j0f s GLN 70 CO 0.39 -0.47 0.59 0.42 -0.50 0.00 0.00 175.29 175.72 1j0f s ILE 71 N 2.81 4.83 0.02 -2.34 1.09 -1.11 -0.29 121.20 126.20 1j0f s ILE 71 Ca 0.10 1.24 0.00 0.00 -1.10 0.00 0.00 60.65 60.89 1j0f s ILE 71 Cb -0.14 -3.92 -0.01 0.00 -1.06 0.00 0.00 42.46 37.33 1j0f s ILE 71 CO -0.19 0.48 -0.03 -0.69 -0.10 0.00 0.00 174.94 174.41 1j0f s VAL 72 N -0.60 0.17 -0.29 2.92 1.01 0.28 -1.46 120.40 122.43 1j0f s VAL 72 Ca 0.30 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.68 1j0f s VAL 72 Cb -0.19 -0.25 0.08 0.00 0.00 0.00 0.00 36.38 36.02 1j0f s VAL 72 CO 0.18 -0.30 -0.03 0.21 0.00 0.00 0.00 175.10 175.16 1j0f s ASN 73 N -0.97 4.50 0.00 3.32 3.84 0.77 0.23 114.94 126.62 1j0f s ASN 73 Ca -0.09 -1.70 0.00 0.00 0.21 0.00 0.00 52.86 51.28 1j0f s ASN 73 Cb -0.07 -1.52 0.00 0.00 -0.55 0.00 0.00 41.25 39.12 1j0f s ASN 73 CO -0.00 -0.28 0.00 0.61 -2.79 0.00 0.00 177.10 174.63 1j0f n GLY 74 N 4.40 0.24 0.42 1.21 0.00 0.33 0.18 105.19 111.96 1j0f n GLY 74 Ca -0.06 0.59 0.05 0.00 0.00 0.00 0.00 46.02 46.60 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 2.03 1.08 -4.51 1.61 5.15 -1.26 -4.96 115.26 114.40 1j0f n ASN 75 Ca 0.00 -2.54 -0.29 0.00 -0.60 0.00 0.00 54.58 51.15 1j0f n ASN 75 Cb 0.00 -0.32 -0.11 0.00 -0.53 0.00 0.00 39.78 38.83 1j0f n ASN 75 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 1j0f s HIS 76 N -1.30 2.58 -0.42 1.20 3.76 0.47 -5.10 115.29 116.47 1j0f s HIS 76 Ca 0.17 -0.24 -0.14 0.00 -0.15 0.00 0.00 55.06 54.70 1j0f s HIS 76 Cb 0.16 -1.35 0.04 0.00 1.11 0.00 0.00 32.58 32.54 1j0f s HIS 76 CO -0.01 0.41 0.30 -0.47 -0.85 0.00 0.00 174.74 174.12 1j0f s TYR 77 N -1.23 3.25 0.00 1.40 5.04 -1.26 -0.17 117.35 124.39 1j0f s TYR 77 Ca 0.19 -0.82 0.00 0.00 -2.44 0.00 0.00 57.07 54.00 1j0f s TYR 77 Cb -0.10 -2.73 0.00 0.00 0.35 0.00 0.00 41.96 39.48 1j0f s TYR 77 CO 0.11 -0.67 0.85 0.00 -1.34 0.00 0.00 175.55 174.50 1j0f n GLY 79 N -0.77 -1.03 3.94 0.00 0.00 -1.19 -4.94 105.19 101.20 1j0f n GLY 79 Ca 0.00 -1.18 -0.25 0.00 0.00 0.00 0.00 46.02 44.60 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 5.09 0.25 1.61 1.47 -1.26 -2.74 116.67 117.08 1j0f s ASP 80 Ca 0.00 0.37 -0.05 0.00 1.18 0.00 0.00 52.55 54.04 1j0f s ASP 80 Cb 0.00 -1.15 0.47 0.00 -0.34 0.00 0.00 42.92 41.90 1j0f s ASP 80 CO 0.00 -1.37 1.65 0.22 0.68 0.00 0.00 175.17 176.36 1j0f h TYR 81 N -0.32 0.11 -0.38 2.11 5.03 -1.92 0.10 116.97 121.69 1j0f h TYR 81 Ca -0.44 0.05 0.08 0.00 2.58 0.00 0.00 58.73 61.00 1j0f h TYR 81 Cb 1.30 0.07 -0.07 0.00 1.55 0.00 0.00 36.73 39.58 1j0f h TYR 81 CO 0.37 -0.18 -0.11 0.93 -1.32 0.00 0.00 178.16 177.85 1j0f h GLU 82 N 0.17 -0.01 -0.00 1.82 4.39 -1.96 0.93 114.58 119.92 1j0f h GLU 82 Ca 0.43 0.00 0.03 0.00 0.34 0.00 0.00 59.36 60.16 1j0f h GLU 82 Cb 0.76 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.38 1j0f h GLU 82 CO -0.61 -0.01 -0.21 -0.07 -1.16 0.00 0.00 179.01 176.95 1j0f h LEU 83 N -0.01 -0.63 0.02 1.33 3.38 -1.20 0.48 115.31 118.67 1j0f h LEU 83 Ca 0.18 0.09 0.02 0.00 0.09 0.00 0.00 57.88 58.26 1j0f h LEU 83 Cb 0.29 0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.25 1j0f h LEU 83 CO -0.40 -0.28 -0.52 0.15 0.09 0.00 0.00 178.44 177.48 1j0f h PHE 84 N -0.34 -1.51 0.32 1.13 3.04 -0.31 -0.12 116.94 119.15 1j0f h PHE 84 Ca 0.06 0.05 0.00 0.00 3.98 0.00 0.00 57.97 62.06 1j0f h PHE 84 Cb 0.42 0.66 -0.03 0.00 2.56 0.00 0.00 35.95 39.55 1j0f h PHE 84 CO -0.26 -0.57 -0.47 0.28 -2.02 0.00 0.00 178.31 175.27 1j0f h VAL 85 N -0.67 0.08 -0.90 1.41 2.07 -0.58 0.38 116.25 118.04 1j0f h VAL 85 Ca 0.02 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.67 1j0f h VAL 85 Cb 0.72 0.08 -0.14 0.00 -1.52 0.00 0.00 31.29 30.43 1j0f h VAL 85 CO -0.34 0.00 -0.36 1.21 0.02 0.00 0.00 177.57 178.09 1j0f n GLU 86 N -5.51 -0.22 0.42 1.57 0.00 0.17 0.15 120.64 117.21 1j0f n GLU 86 Ca -0.10 1.39 -0.17 0.00 0.00 0.00 0.00 57.16 58.28 1j0f n GLU 86 Cb 0.42 -2.05 -0.08 0.00 0.00 0.00 0.00 31.44 29.73 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 1.19 -1.15 -0.97 4.31 0.00 -0.45 0.19 119.26 122.39 1j0f h ALA 87 Ca 0.30 -0.24 0.24 0.00 0.00 0.00 0.00 54.91 55.22 1j0f h ALA 87 Cb 0.53 0.42 -0.18 0.00 0.00 0.00 0.00 17.79 18.56 1j0f h ALA 87 CO -0.89 -1.07 -0.04 0.28 0.00 0.00 0.00 179.25 177.53 1j0f h VAL 88 N -1.23 0.05 -0.39 0.00 2.07 0.21 1.33 116.25 118.28 1j0f h VAL 88 Ca -0.11 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.36 1j0f h VAL 88 Cb 0.83 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1j0f h VAL 88 CO 0.18 0.00 0.09 -0.33 0.02 0.00 0.00 177.57 177.53 1j0f h GLU 89 N 0.02 0.63 0.00 1.57 4.39 0.15 -1.56 114.58 119.78 1j0f h GLU 89 Ca 0.55 -0.16 0.00 0.00 0.34 0.00 0.00 59.36 60.09 1j0f h GLU 89 Cb 1.06 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.63 1j0f h GLU 89 CO -0.92 0.67 0.00 1.04 -1.16 0.00 0.00 179.01 178.64 1j0f n GLN 90 N -4.56 0.10 -2.28 2.33 1.13 0.38 -4.83 117.38 109.65 1j0f n GLN 90 Ca -0.01 0.20 -0.09 0.00 -1.94 0.00 0.00 57.00 55.16 1j0f n GLN 90 Cb 0.21 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.06 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 -1.40 -3.29 -2.00 1.08 2.03 0.29 -4.92 116.55 108.34 1j0f n ASP 91 Ca 0.05 -0.04 -0.05 0.00 0.52 0.00 0.00 54.79 55.27 1j0f n ASP 91 Cb 0.14 -2.48 0.06 0.00 -0.72 0.00 0.00 41.12 38.12 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 -3.96 1.52 -0.30 5.18 -2.24 -0.41 -4.84 114.28 109.23 1j0f n THR 92 Ca -0.10 -2.96 -0.02 0.00 -2.27 0.00 0.00 64.05 58.70 1j0f n THR 92 Cb 0.58 0.31 0.11 0.00 -2.10 0.00 0.00 70.33 69.23 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 1.92 0.89 -0.54 3.22 5.85 -1.85 -1.69 115.31 123.11 1j0f h LEU 93 Ca 0.01 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.78 1j0f h LEU 93 Cb 1.43 -0.20 -0.05 0.00 0.37 0.00 0.00 40.66 42.21 1j0f h LEU 93 CO 0.30 0.61 0.25 1.56 -0.34 0.00 0.00 178.44 180.83 1j0f h GLN 94 N 1.04 0.47 0.54 1.25 4.20 -1.93 -1.01 115.11 119.67 1j0f h GLN 94 Ca 0.33 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 59.00 1j0f h GLN 94 Cb 0.01 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.67 1j0f h GLN 94 CO -0.12 0.31 -0.40 1.49 -0.67 0.00 0.00 178.83 179.44 1j0f h GLU 95 N 0.48 -0.89 -0.99 1.46 4.57 -1.68 -2.31 114.58 115.23 1j0f h GLU 95 Ca 0.25 0.06 0.23 0.00 -1.18 0.00 0.00 59.36 58.72 1j0f h GLU 95 Cb 0.20 0.20 -0.12 0.00 -0.16 0.00 0.00 28.75 28.87 1j0f h GLU 95 CO -0.20 -0.59 0.57 0.35 -1.18 0.00 0.00 179.01 177.96 1j0f h PHE 96 N -0.92 0.98 -0.57 0.92 3.57 -1.05 -3.41 116.94 116.46 1j0f h PHE 96 Ca -0.06 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1j0f h PHE 96 Cb 0.77 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.24 1j0f h PHE 96 CO -0.16 0.08 0.00 1.28 -2.23 0.00 0.00 178.31 177.29 1j0f n LEU 97 N -4.88 0.00 -3.02 0.59 4.77 -0.41 -4.77 117.00 109.27 1j0f n LEU 97 Ca 0.25 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 56.00 1j0f n LEU 97 Cb 0.70 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.75 1j0f n LEU 97 CO 0.17 -0.02 0.00 0.29 -1.33 0.00 0.00 177.39 176.50 1j0f n LYS 98 N 0.00 2.35 -0.05 3.23 4.01 -1.25 -4.79 118.16 121.65 1j0f n LYS 98 Ca 0.00 -4.27 -0.11 0.00 -0.51 0.00 0.00 58.31 53.42 1j0f n LYS 98 Cb 0.00 -2.02 -0.04 0.00 -0.51 0.00 0.00 35.03 32.46 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 -0.05 1.08 -0.64 -0.35 7.99 -1.24 -4.98 117.00 118.82 1j0f n LEU 99 Ca 0.29 0.11 0.08 0.00 -0.01 0.00 0.00 56.01 56.47 1j0f n LEU 99 Cb 0.50 -0.33 0.07 0.00 -0.11 0.00 0.00 43.42 43.55 1j0f n LEU 99 CO 0.29 0.29 0.50 0.00 -1.51 0.00 0.00 177.39 176.96