#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 -8.31 -4.93 1.61 2.88 -1.26 -4.95 113.62 98.65 1j0f n SER 2 Ca 0.00 1.70 -0.21 0.00 -1.33 0.00 0.00 58.87 59.03 1j0f n SER 2 Cb 0.00 -5.17 -0.02 0.00 -0.75 0.00 0.00 64.21 58.27 1j0f n SER 2 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 1j0f s GLU 3 N -4.87 3.16 -0.10 -1.46 2.02 -1.26 -5.12 118.70 111.07 1j0f s GLU 3 Ca 0.00 -0.96 -0.04 0.00 0.02 0.00 0.00 54.97 53.99 1j0f s GLU 3 Cb 0.00 -2.76 0.05 0.00 0.10 0.00 0.00 34.13 31.53 1j0f s GLU 3 CO 0.00 0.27 0.22 0.20 0.02 0.00 0.00 175.26 175.98 1j0f s GLY 4 N -4.01 -0.09 0.08 -1.39 0.00 -1.26 -5.15 107.32 95.49 1j0f s GLY 4 Ca 0.38 0.88 0.03 0.00 0.00 0.00 0.00 44.72 46.00 1j0f s GLY 4 CO 0.29 1.48 0.11 0.00 0.00 0.00 0.00 173.10 174.98 1j0f s ALA 5 N 1.73 3.66 -0.34 3.20 0.00 -1.26 -5.09 121.76 123.66 1j0f s ALA 5 Ca -0.05 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 50.94 1j0f s ALA 5 Cb -0.11 -1.51 0.10 0.00 0.00 0.00 0.00 23.12 21.60 1j0f s ALA 5 CO -0.08 0.75 0.09 0.00 0.00 0.00 0.00 175.76 176.52 1j0f s ALA 6 N -1.44 2.15 0.04 0.00 0.00 -1.26 -5.10 121.76 116.15 1j0f s ALA 6 Ca 0.31 -2.11 0.07 0.00 0.00 0.00 0.00 51.96 50.23 1j0f s ALA 6 Cb -0.12 -1.79 -0.03 0.00 0.00 0.00 0.00 23.12 21.18 1j0f s ALA 6 CO 0.23 -1.71 -0.21 0.95 0.00 0.00 0.00 175.76 175.02 1j0f s THR 7 N 1.20 1.70 0.03 0.00 -4.23 -1.26 -5.14 115.64 107.94 1j0f s THR 7 Ca 0.11 -1.21 0.04 0.00 -1.18 0.00 0.00 61.69 59.45 1j0f s THR 7 Cb -0.19 -1.47 -0.02 0.00 1.34 0.00 0.00 72.50 72.16 1j0f s THR 7 CO -0.16 0.22 -0.12 -0.32 -0.54 0.00 0.00 174.62 173.69 1j0f s MET 8 N -1.18 0.86 0.05 3.99 1.75 -1.26 -5.15 119.30 118.35 1j0f s MET 8 Ca 0.08 -0.65 0.00 0.00 -1.25 0.00 0.00 55.69 53.87 1j0f s MET 8 Cb -0.09 -0.83 -0.03 0.00 2.84 0.00 0.00 34.83 36.72 1j0f s MET 8 CO 0.02 0.21 -0.04 -1.12 -0.65 0.00 0.00 175.02 173.43 1j0f s SER 9 N -0.94 0.59 -0.64 1.11 0.01 -1.26 -5.10 113.70 107.47 1j0f s SER 9 Ca 0.01 -0.78 0.06 0.00 1.31 0.00 0.00 55.95 56.54 1j0f s SER 9 Cb -0.07 0.13 0.21 0.00 0.21 0.00 0.00 66.02 66.50 1j0f s SER 9 CO 0.01 -0.42 0.60 0.61 0.41 0.00 0.00 173.24 174.44 1j0f n GLY 10 N 0.74 4.15 3.76 3.44 0.00 -1.26 -4.96 105.19 111.06 1j0f n GLY 10 Ca -0.18 -2.51 -0.40 0.00 0.00 0.00 0.00 46.02 42.93 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 -1.78 4.54 -0.03 0.99 1.98 -1.25 0.14 118.68 123.27 1j0f s LEU 11 Ca 0.33 2.27 0.00 0.00 -2.89 0.00 0.00 54.13 53.84 1j0f s LEU 11 Cb 0.06 -3.63 0.03 0.00 0.66 0.00 0.00 46.19 43.31 1j0f s LEU 11 CO -0.10 -0.17 0.01 -0.13 -1.89 0.00 0.00 176.35 174.07 1j0f s ARG 12 N -1.33 0.24 -0.50 1.98 0.52 0.14 -0.35 118.95 119.66 1j0f s ARG 12 Ca 0.45 0.09 -0.10 0.00 -0.52 0.00 0.00 55.73 55.65 1j0f s ARG 12 Cb -0.32 -0.43 0.13 0.00 0.52 0.00 0.00 34.95 34.84 1j0f s ARG 12 CO 0.41 -0.14 0.39 0.08 0.02 0.00 0.00 175.30 176.06 1j0f s VAL 13 N 1.00 4.43 -0.80 3.52 1.01 0.10 -0.63 120.40 129.03 1j0f s VAL 13 Ca -0.10 -1.78 -0.25 0.00 0.00 0.00 0.00 61.98 59.84 1j0f s VAL 13 Cb -0.13 -3.89 -0.00 0.00 0.00 0.00 0.00 36.38 32.35 1j0f s VAL 13 CO -0.02 -0.80 1.67 -0.31 0.00 0.00 0.00 175.10 175.63 1j0f s TYR 14 N 1.34 2.02 0.25 5.22 1.51 0.61 -0.14 117.35 128.16 1j0f s TYR 14 Ca 0.06 0.22 0.12 0.00 -1.01 0.00 0.00 57.07 56.46 1j0f s TYR 14 Cb -0.26 -4.32 -0.05 0.00 -0.11 0.00 0.00 41.96 37.21 1j0f s TYR 14 CO -0.00 -2.03 -0.21 -1.12 -1.11 0.00 0.00 175.55 171.08 1j0f s SER 15 N 6.46 3.57 -0.16 2.29 0.01 0.13 -2.67 113.70 123.32 1j0f s SER 15 Ca 0.56 -0.97 -0.05 0.00 1.31 0.00 0.00 55.95 56.80 1j0f s SER 15 Cb -0.07 -0.30 -0.03 0.00 0.21 0.00 0.00 66.02 65.82 1j0f s SER 15 CO 0.07 0.06 0.01 0.28 0.41 0.00 0.00 173.24 174.08 1j0f s THR 16 N -2.26 4.34 0.06 1.44 -1.32 -1.26 -0.62 115.64 116.02 1j0f s THR 16 Ca 0.27 -0.20 -0.29 0.00 -1.21 0.00 0.00 61.69 60.26 1j0f s THR 16 Cb -0.06 -2.92 -0.18 0.00 -1.51 0.00 0.00 72.50 67.83 1j0f s THR 16 CO 0.14 0.49 1.57 -1.28 -2.21 0.00 0.00 174.62 173.32 1j0f h SER 17 N 6.60 -0.53 -2.83 8.08 0.87 -1.92 -3.43 113.55 120.39 1j0f h SER 17 Ca -0.35 -0.02 -0.64 0.00 -1.23 0.00 0.00 61.79 59.56 1j0f h SER 17 Cb 1.18 0.14 -0.06 0.00 -0.44 0.00 0.00 62.40 63.22 1j0f h SER 17 CO 0.66 -0.33 -0.42 -0.69 -0.53 0.00 0.00 176.83 175.52 1j0f s VAL 18 N -5.81 5.37 -0.30 2.23 1.01 -1.26 -5.06 120.40 116.57 1j0f s VAL 18 Ca -0.16 0.12 -0.17 0.00 0.00 0.00 0.00 61.98 61.77 1j0f s VAL 18 Cb 0.04 -3.53 0.17 0.00 0.00 0.00 0.00 36.38 33.06 1j0f s VAL 18 CO 0.61 0.42 1.21 0.28 0.00 0.00 0.00 175.10 177.61 1j0f s THR 19 N -1.24 -0.08 0.21 3.92 -1.32 -1.26 -4.91 115.64 110.95 1j0f s THR 19 Ca 0.25 0.00 -0.09 0.00 -1.21 0.00 0.00 61.69 60.63 1j0f s THR 19 Cb -0.13 -0.86 0.14 0.00 -1.51 0.00 0.00 72.50 70.14 1j0f s THR 19 CO 0.14 0.00 1.79 1.23 -2.21 0.00 0.00 174.62 175.57 1j0f h GLY 20 N 7.86 0.93 -3.98 6.08 0.00 -2.00 -3.42 103.07 108.54 1j0f h GLY 20 Ca -0.10 -0.21 -0.54 0.00 0.00 0.00 0.00 47.33 46.48 1j0f h GLY 20 CO -0.22 0.09 0.78 -0.56 0.00 0.00 0.00 176.54 176.63 1j0f s SER 21 N -5.52 6.39 -0.17 0.19 0.01 -1.26 -4.93 113.70 108.41 1j0f s SER 21 Ca -0.13 3.00 -0.03 0.00 1.31 0.00 0.00 55.95 60.11 1j0f s SER 21 Cb 0.16 -2.66 -0.23 0.00 0.21 0.00 0.00 66.02 63.50 1j0f s SER 21 CO 0.75 -0.84 0.15 -1.14 0.41 0.00 0.00 173.24 172.57 1j0f n ARG 22 N 0.68 0.72 -0.14 12.44 0.63 -1.26 -3.96 116.66 125.77 1j0f n ARG 22 Ca 0.02 0.22 0.28 0.00 -0.92 0.00 0.00 57.85 57.45 1j0f n ARG 22 Cb 0.39 -1.64 0.70 0.00 0.45 0.00 0.00 32.46 32.36 1j0f n ARG 22 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1j0f h GLU 23 N 0.04 0.00 0.17 -0.14 5.08 -1.97 0.57 114.58 118.33 1j0f h GLU 23 Ca -0.48 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.87 1j0f h GLU 23 Cb 1.99 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.24 1j0f h GLU 23 CO 0.02 0.00 -0.08 0.82 -1.00 0.00 0.00 179.01 178.77 1j0f h ILE 24 N 0.00 0.35 -0.44 3.13 2.04 -1.90 -3.09 117.51 117.60 1j0f h ILE 24 Ca 0.40 -1.02 0.06 0.00 1.00 0.00 0.00 64.86 65.30 1j0f h ILE 24 Cb 1.87 0.63 -0.09 0.00 -0.74 0.00 0.00 36.82 38.49 1j0f h ILE 24 CO -0.00 0.10 -0.51 0.11 0.00 0.00 0.00 178.15 177.85 1j0f h LYS 25 N -1.02 -0.34 -0.92 2.37 1.57 -1.10 0.02 116.57 117.16 1j0f h LYS 25 Ca -0.02 0.02 0.12 0.00 -1.87 0.00 0.00 60.65 58.90 1j0f h LYS 25 Cb 0.34 0.08 -0.14 0.00 0.08 0.00 0.00 32.23 32.59 1j0f h LYS 25 CO 0.04 -0.23 -0.47 0.77 -0.57 0.00 0.00 179.45 178.99 1j0f h SER 26 N -0.35 -1.71 -0.85 0.86 0.02 -1.21 1.18 113.55 111.49 1j0f h SER 26 Ca 0.11 0.31 0.15 0.00 -0.84 0.00 0.00 61.79 61.52 1j0f h SER 26 Cb 0.59 0.82 -0.10 0.00 0.14 0.00 0.00 62.40 63.85 1j0f h SER 26 CO -0.61 -0.28 0.43 1.56 -1.14 0.00 0.00 176.83 176.79 1j0f h GLN 27 N -0.04 0.57 -0.48 3.45 4.20 -0.97 1.24 115.11 123.08 1j0f h GLN 27 Ca 0.25 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.82 1j0f h GLN 27 Cb 0.53 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.16 1j0f h GLN 27 CO -0.92 0.38 -0.14 1.96 -0.67 0.00 0.00 178.83 179.44 1j0f h GLN 28 N 0.59 0.91 -0.28 1.46 4.20 0.26 0.03 115.11 122.27 1j0f h GLN 28 Ca 0.47 -0.33 -0.15 0.00 0.06 0.00 0.00 58.65 58.70 1j0f h GLN 28 Cb 0.70 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.42 1j0f h GLN 28 CO -0.38 0.98 -0.40 0.77 -0.67 0.00 0.00 178.83 179.13 1j0f h SER 29 N 0.81 0.84 0.58 1.46 0.02 0.34 -2.68 113.55 114.92 1j0f h SER 29 Ca 0.12 -0.51 -0.03 0.00 -0.84 0.00 0.00 61.79 60.54 1j0f h SER 29 Cb 0.67 -0.24 0.01 0.00 0.14 0.00 0.00 62.40 62.98 1j0f h SER 29 CO 0.05 1.18 -0.28 -0.33 -1.14 0.00 0.00 176.83 176.31 1j0f h GLU 30 N 0.53 -0.75 -0.95 3.45 4.39 0.16 0.87 114.58 122.27 1j0f h GLU 30 Ca 0.03 0.05 0.11 0.00 0.34 0.00 0.00 59.36 59.89 1j0f h GLU 30 Cb 0.99 0.17 -0.13 0.00 -0.10 0.00 0.00 28.75 29.68 1j0f h GLU 30 CO 0.09 -0.50 -0.52 0.28 -1.16 0.00 0.00 179.01 177.21 1j0f h VAL 31 N -0.88 0.01 -0.62 3.13 2.07 -1.09 0.78 116.25 119.65 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 0.60 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 0.24 0.71 0.02 0.00 0.00 177.57 178.67 1j0f h THR 32 N -0.03 0.78 -0.20 2.57 1.35 -1.47 0.87 112.91 116.77 1j0f h THR 32 Ca 0.21 -0.15 0.06 0.00 -0.55 0.00 0.00 66.41 65.98 1j0f h THR 32 Cb 0.48 0.31 -0.07 0.00 -1.73 0.00 0.00 68.15 67.15 1j0f h THR 32 CO -0.93 0.08 -0.32 -0.09 -0.25 0.00 0.00 175.52 174.01 1j0f h ARG 33 N 0.43 -0.34 0.06 4.72 2.43 0.30 1.23 114.38 123.22 1j0f h ARG 33 Ca 0.31 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.51 1j0f h ARG 33 Cb 0.37 0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1j0f h ARG 33 CO -0.30 -0.23 -0.08 0.82 -1.51 0.00 0.00 179.97 178.68 1j0f h ILE 34 N -0.35 0.82 -0.78 1.20 2.04 -0.13 0.25 117.51 120.55 1j0f h ILE 34 Ca 0.12 0.00 0.12 0.00 1.00 0.00 0.00 64.86 66.09 1j0f h ILE 34 Cb 0.54 0.82 -0.08 0.00 -0.74 0.00 0.00 36.82 37.35 1j0f h ILE 34 CO -0.40 0.00 0.39 -0.07 0.00 0.00 0.00 178.15 178.07 1j0f h LEU 35 N -0.17 0.48 0.37 1.44 3.38 -0.02 1.45 115.31 122.25 1j0f h LEU 35 Ca 0.01 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1j0f h LEU 35 Cb 0.17 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1j0f h LEU 35 CO -0.03 0.24 -0.18 -0.78 0.09 0.00 0.00 178.44 177.78 1j0f h ASP 36 N 0.61 -0.42 -0.91 -0.43 3.58 0.23 0.30 116.42 119.37 1j0f h ASP 36 Ca 0.40 -0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.82 1j0f h ASP 36 Cb 0.50 0.11 -0.04 0.00 1.72 0.00 0.00 39.33 41.61 1j0f h ASP 36 CO -0.32 -0.24 0.56 1.23 -2.88 0.00 0.00 179.24 177.59 1j0f h GLY 37 N -0.57 1.32 1.96 -0.78 0.00 0.50 0.92 103.07 106.42 1j0f h GLY 37 Ca -0.05 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.74 1j0f h GLY 37 CO 0.08 0.52 0.00 0.28 0.00 0.00 0.00 176.54 177.42 1j0f n LYS 38 N -4.40 0.02 -3.76 4.80 5.02 0.49 -4.87 118.16 115.46 1j0f n LYS 38 Ca 0.10 0.17 -0.26 0.00 -2.02 0.00 0.00 58.31 56.30 1j0f n LYS 38 Cb 0.05 -1.50 0.05 0.00 -0.02 0.00 0.00 35.03 33.60 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 -1.48 -6.15 -3.06 1.97 5.12 0.81 -4.94 116.66 108.93 1j0f n ARG 39 Ca 0.05 0.68 -0.39 0.00 -1.93 0.00 0.00 57.85 56.26 1j0f n ARG 39 Cb 0.22 -5.57 -0.06 0.00 -1.16 0.00 0.00 32.46 25.89 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 -3.37 4.56 -0.50 0.55 1.01 0.13 -5.01 121.20 118.57 1j0f s ILE 40 Ca 0.48 1.55 -0.28 0.00 0.00 0.00 0.00 60.65 62.41 1j0f s ILE 40 Cb -0.23 -4.07 0.03 0.00 0.01 0.00 0.00 42.46 38.20 1j0f s ILE 40 CO 0.79 0.49 1.13 -1.10 0.00 0.00 0.00 174.94 176.25 1j0f s GLN 41 N -0.82 3.65 0.34 2.79 -1.52 -1.26 -4.80 119.66 118.03 1j0f s GLN 41 Ca 0.35 0.44 0.02 0.00 -1.95 0.00 0.00 55.36 54.22 1j0f s GLN 41 Cb -0.21 -3.94 -0.01 0.00 -0.22 0.00 0.00 33.01 28.63 1j0f s GLN 41 CO 0.23 -1.44 0.39 1.52 -0.25 0.00 0.00 175.29 175.75 1j0f s TYR 42 N 4.49 1.41 -0.09 0.91 -0.85 -1.26 -3.78 117.35 118.18 1j0f s TYR 42 Ca 0.45 -1.48 -0.04 0.00 -0.52 0.00 0.00 57.07 55.48 1j0f s TYR 42 Cb -0.07 -0.38 0.05 0.00 0.38 0.00 0.00 41.96 41.93 1j0f s TYR 42 CO 0.30 -1.03 0.19 -1.14 -1.52 0.00 0.00 175.55 172.35 1j0f s GLN 43 N -3.18 0.10 0.43 -3.49 0.74 0.53 -4.93 119.66 109.86 1j0f s GLN 43 Ca 0.35 0.53 -0.23 0.00 0.05 0.00 0.00 55.36 56.06 1j0f s GLN 43 Cb 0.01 -0.17 -0.08 0.00 1.10 0.00 0.00 33.01 33.86 1j0f s GLN 43 CO 0.24 -0.23 1.12 -0.51 -0.55 0.00 0.00 175.29 175.37 1j0f s LEU 44 N 1.76 4.07 -0.12 3.68 2.01 -1.26 0.02 118.68 128.84 1j0f s LEU 44 Ca -0.04 2.21 -0.01 0.00 0.01 0.00 0.00 54.13 56.31 1j0f s LEU 44 Cb -0.12 -4.20 0.03 0.00 0.01 0.00 0.00 46.19 41.91 1j0f s LEU 44 CO -0.07 -0.74 -0.04 -0.69 1.01 0.00 0.00 176.35 175.82 1j0f s VAL 45 N -1.58 0.81 -0.57 -1.59 1.01 0.81 -4.80 120.40 114.49 1j0f s VAL 45 Ca 0.61 -0.25 -0.28 0.00 0.00 0.00 0.00 61.98 62.05 1j0f s VAL 45 Cb -0.26 -0.94 0.03 0.00 0.00 0.00 0.00 36.38 35.20 1j0f s VAL 45 CO 0.32 0.25 1.23 -0.62 0.00 0.00 0.00 175.10 176.28 1j0f s ASP 46 N 1.78 6.41 0.10 3.32 -1.08 -1.24 -0.70 116.67 125.27 1j0f s ASP 46 Ca 0.04 0.16 -0.05 0.00 -0.52 0.00 0.00 52.55 52.18 1j0f s ASP 46 Cb -0.13 -2.55 -0.19 0.00 -1.46 0.00 0.00 42.92 38.58 1j0f s ASP 46 CO -0.07 -1.50 1.22 0.16 0.52 0.00 0.00 175.17 175.49 1j0f h ILE 47 N 6.20 1.44 -1.00 4.11 3.07 -1.17 -3.23 117.51 126.92 1j0f h ILE 47 Ca -0.25 -2.74 0.02 0.00 1.55 0.00 0.00 64.86 63.44 1j0f h ILE 47 Cb 1.06 2.69 -0.05 0.00 -0.27 0.00 0.00 36.82 40.25 1j0f h ILE 47 CO 1.18 0.81 0.66 -1.28 -1.05 0.00 0.00 178.15 178.47 1j0f h SER 48 N 0.15 1.13 -0.12 2.16 0.87 -1.89 -2.95 113.55 112.91 1j0f h SER 48 Ca -0.11 -0.02 0.02 0.00 -1.23 0.00 0.00 61.79 60.45 1j0f h SER 48 Cb 1.78 -0.27 -0.04 0.00 -0.44 0.00 0.00 62.40 63.43 1j0f h SER 48 CO 0.19 0.80 -0.37 1.56 -0.53 0.00 0.00 176.83 178.48 1j0f h GLN 49 N 1.32 -0.36 -4.56 2.24 1.08 -1.92 -3.34 115.11 109.56 1j0f h GLN 49 Ca 0.38 0.02 -0.71 0.00 -1.45 0.00 0.00 58.65 56.90 1j0f h GLN 49 Cb -0.09 0.08 -0.28 0.00 -0.05 0.00 0.00 27.48 27.14 1j0f h GLN 49 CO -0.10 -0.24 -0.54 0.34 -0.95 0.00 0.00 178.83 177.34 1j0f s ASP 50 N -4.13 5.49 0.37 1.46 2.15 -1.11 -4.95 116.67 115.95 1j0f s ASP 50 Ca -0.10 -1.32 0.19 0.00 0.43 0.00 0.00 52.55 51.74 1j0f s ASP 50 Cb 0.05 -1.93 1.19 0.00 -0.30 0.00 0.00 42.92 41.92 1j0f s ASP 50 CO 0.41 -0.43 1.66 -0.55 -0.17 0.00 0.00 175.17 176.09 1j0f h ASN 51 N 8.31 0.44 -0.51 -0.34 -1.07 -1.70 0.35 115.58 121.06 1j0f h ASN 51 Ca -0.23 0.17 0.08 0.00 0.07 0.00 0.00 56.30 56.40 1j0f h ASN 51 Cb 1.08 0.13 -0.10 0.00 -2.07 0.00 0.00 38.32 37.37 1j0f h ASN 51 CO 0.68 -0.15 -0.44 0.00 0.07 0.00 0.00 177.43 177.59 1j0f h ALA 52 N 1.79 -0.39 -0.96 4.14 0.00 -1.92 -0.03 119.26 121.87 1j0f h ALA 52 Ca 0.75 0.09 0.11 0.00 0.00 0.00 0.00 54.91 55.85 1j0f h ALA 52 Cb 1.90 0.95 -0.13 0.00 0.00 0.00 0.00 17.79 20.51 1j0f h ALA 52 CO -0.55 -0.86 -0.52 -0.07 0.00 0.00 0.00 179.25 177.26 1j0f h LEU 53 N -0.27 -1.89 -0.92 0.00 3.38 -0.53 1.14 115.31 116.21 1j0f h LEU 53 Ca 0.16 0.32 0.30 0.00 0.09 0.00 0.00 57.88 58.74 1j0f h LEU 53 Cb 0.57 0.88 -0.17 0.00 0.09 0.00 0.00 40.66 42.03 1j0f h LEU 53 CO -0.64 -0.26 0.19 -1.14 0.09 0.00 0.00 178.44 176.67 1j0f n ARG 54 N -5.33 -0.07 0.03 1.13 0.63 -0.04 0.13 116.66 113.14 1j0f n ARG 54 Ca 0.04 1.34 -0.03 0.00 -0.92 0.00 0.00 57.85 58.29 1j0f n ARG 54 Cb 0.31 -2.23 -0.01 0.00 0.45 0.00 0.00 32.46 30.98 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 -0.14 -0.96 6.15 3.58 0.13 -2.11 116.42 123.07 1j0f h ASP 55 Ca 0.64 0.00 0.26 0.00 0.42 0.00 0.00 57.03 58.35 1j0f h ASP 55 Cb 1.47 0.04 -0.18 0.00 1.72 0.00 0.00 39.33 42.38 1j0f h ASP 55 CO -0.81 0.23 0.02 -0.62 -2.88 0.00 0.00 179.24 175.18 1j0f n GLU 56 N -4.29 -0.08 -0.10 0.28 1.02 0.14 0.13 120.64 117.74 1j0f n GLU 56 Ca -0.02 1.43 -0.11 0.00 -0.02 0.00 0.00 57.16 58.44 1j0f n GLU 56 Cb 0.06 -2.28 -0.04 0.00 -0.02 0.00 0.00 31.44 29.17 1j0f n GLU 56 CO 0.00 0.00 0.00 1.98 1.18 0.00 0.00 177.13 180.29 1j0f h MET 57 N 0.00 0.52 -0.81 3.49 4.05 0.97 -0.70 114.93 122.45 1j0f h MET 57 Ca 0.58 -0.18 0.09 0.00 -0.28 0.00 0.00 59.70 59.90 1j0f h MET 57 Cb 1.19 -0.04 -0.07 0.00 -0.80 0.00 0.00 31.60 31.88 1j0f h MET 57 CO -0.90 0.70 0.47 0.00 0.23 0.00 0.00 176.91 177.41 1j0f h ARG 58 N 0.29 0.78 0.44 0.39 3.08 0.18 0.26 114.38 119.80 1j0f h ARG 58 Ca 0.08 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.06 1j0f h ARG 58 Cb 0.49 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 30.37 1j0f h ARG 58 CO 0.02 0.51 -0.21 1.15 -1.07 0.00 0.00 179.97 180.37 1j0f h THR 59 N 0.80 0.39 -0.41 2.04 2.02 -0.35 0.23 112.91 117.63 1j0f h THR 59 Ca 0.39 -0.53 0.08 0.00 0.77 0.00 0.00 66.41 67.11 1j0f h THR 59 Cb 0.33 0.57 -0.09 0.00 -1.74 0.00 0.00 68.15 67.22 1j0f h THR 59 CO -0.23 0.07 -0.33 -0.07 0.37 0.00 0.00 175.52 175.33 1j0f h LEU 60 N -0.97 -1.10 -0.59 2.58 3.38 -0.82 0.14 115.31 117.94 1j0f h LEU 60 Ca -0.06 0.19 0.11 0.00 0.09 0.00 0.00 57.88 58.21 1j0f h LEU 60 Cb 0.57 0.51 -0.08 0.00 0.09 0.00 0.00 40.66 41.75 1j0f h LEU 60 CO 0.10 -0.32 0.12 0.00 0.09 0.00 0.00 178.44 178.43 1j0f h ALA 61 N 0.76 0.69 0.00 1.53 0.00 -0.53 -3.46 119.26 118.25 1j0f h ALA 61 Ca 0.17 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1j0f h ALA 61 Cb 0.54 0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1j0f h ALA 61 CO -0.55 -0.31 0.00 0.41 0.00 0.00 0.00 179.25 178.80 1j0f n GLY 62 N -1.32 1.63 3.64 0.00 0.00 0.50 -5.08 105.19 104.57 1j0f n GLY 62 Ca 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.73 0.21 1.61 2.47 0.68 -5.02 114.94 112.15 1j0f s ASN 63 Ca 0.00 1.17 0.07 0.00 0.42 0.00 0.00 52.86 54.52 1j0f s ASN 63 Cb 0.00 1.30 0.12 0.00 -1.45 0.00 0.00 41.25 41.22 1j0f s ASN 63 CO 0.00 -0.19 1.47 1.55 -3.72 0.00 0.00 177.10 176.21 1j0f h PRO 64 N 6.48 0.09 -1.02 0.43 0.13 -1.96 -3.02 132.00 133.13 1j0f h PRO 64 Ca -0.29 -0.08 -0.35 0.00 -0.87 0.00 0.00 66.00 64.40 1j0f h PRO 64 Cb 1.21 0.02 -0.20 0.00 0.13 0.00 0.00 31.00 32.16 1j0f h PRO 64 CO 0.18 0.81 0.45 1.63 -0.23 0.00 0.00 178.00 180.84 1j0f n LYS 65 N -3.68 1.85 -2.36 0.86 4.01 -1.26 -4.93 118.16 112.65 1j0f n LYS 65 Ca -0.02 -2.01 -0.32 0.00 -0.51 0.00 0.00 58.31 55.45 1j0f n LYS 65 Cb 0.74 -1.79 -0.03 0.00 -0.51 0.00 0.00 35.03 33.44 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 -2.22 3.05 0.08 7.82 0.00 -1.14 -5.08 121.76 124.28 1j0f s ALA 66 Ca 0.38 0.18 -0.06 0.00 0.00 0.00 0.00 51.96 52.46 1j0f s ALA 66 Cb 0.32 -3.12 -0.01 0.00 0.00 0.00 0.00 23.12 20.30 1j0f s ALA 66 CO 0.07 -0.28 0.13 0.95 0.00 0.00 0.00 175.76 176.63 1j0f s THR 67 N -2.64 0.16 0.83 0.00 -4.23 -1.26 -4.94 115.64 103.57 1j0f s THR 67 Ca 0.59 -1.38 -0.12 0.00 -1.18 0.00 0.00 61.69 59.60 1j0f s THR 67 Cb -0.10 -1.44 0.09 0.00 1.34 0.00 0.00 72.50 72.39 1j0f s THR 67 CO 0.32 -0.72 1.11 -2.16 -0.54 0.00 0.00 174.62 172.64 1j0f s PRO 68 N -3.89 1.79 0.97 3.99 0.04 -1.26 -4.66 135.00 131.98 1j0f s PRO 68 Ca 0.07 0.53 -0.16 0.00 0.04 0.00 0.00 61.00 61.47 1j0f s PRO 68 Cb 0.06 -1.89 0.23 0.00 0.04 0.00 0.00 34.50 32.94 1j0f s PRO 68 CO -0.10 -1.80 1.07 -0.35 0.04 0.00 0.00 177.00 175.86 1j0f n PRO 69 N -3.54 -2.01 -3.45 0.56 -0.04 -1.26 -4.88 135.00 120.38 1j0f n PRO 69 Ca 0.07 -1.68 -0.02 0.00 -0.04 0.00 0.00 63.50 61.82 1j0f n PRO 69 Cb 0.57 -1.33 -0.05 0.00 -0.04 0.00 0.00 33.50 32.66 1j0f n PRO 69 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1j0f s GLN 70 N -5.38 0.49 -0.13 0.54 1.11 -1.09 -4.13 119.66 111.07 1j0f s GLN 70 Ca 0.65 1.09 -0.19 0.00 0.01 0.00 0.00 55.36 56.92 1j0f s GLN 70 Cb -0.04 0.45 -0.04 0.00 -1.01 0.00 0.00 33.01 32.38 1j0f s GLN 70 CO 0.47 -0.41 0.50 0.42 0.01 0.00 0.00 175.29 176.29 1j0f s ILE 71 N 2.77 5.16 0.01 1.08 1.09 -0.98 -0.29 121.20 130.06 1j0f s ILE 71 Ca 0.06 1.00 0.04 0.00 -1.10 0.00 0.00 60.65 60.65 1j0f s ILE 71 Cb -0.13 -3.84 -0.01 0.00 -1.06 0.00 0.00 42.46 37.41 1j0f s ILE 71 CO -0.18 0.29 -0.12 -0.69 -0.10 0.00 0.00 174.94 174.14 1j0f s VAL 72 N 0.81 0.96 -0.32 2.92 1.01 0.20 -1.71 120.40 124.26 1j0f s VAL 72 Ca 0.27 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.54 1j0f s VAL 72 Cb -0.15 -0.84 0.08 0.00 0.00 0.00 0.00 36.38 35.46 1j0f s VAL 72 CO 0.11 0.12 0.03 0.21 0.00 0.00 0.00 175.10 175.57 1j0f s ASN 73 N -0.68 4.84 0.00 3.32 3.84 0.24 0.26 114.94 126.76 1j0f s ASN 73 Ca 0.02 -1.67 0.00 0.00 0.21 0.00 0.00 52.86 51.43 1j0f s ASN 73 Cb -0.06 -1.68 0.00 0.00 -0.55 0.00 0.00 41.25 38.96 1j0f s ASN 73 CO 0.00 -0.33 0.00 0.61 -2.79 0.00 0.00 177.10 174.59 1j0f n GLY 74 N 4.49 0.24 0.35 1.21 0.00 0.36 0.19 105.19 112.03 1j0f n GLY 74 Ca -0.07 0.56 0.05 0.00 0.00 0.00 0.00 46.02 46.56 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 2.12 1.14 -4.57 1.61 5.15 -1.26 -4.99 115.26 114.45 1j0f n ASN 75 Ca 0.00 -2.55 -0.27 0.00 -0.60 0.00 0.00 54.58 51.16 1j0f n ASN 75 Cb 0.00 -0.32 -0.09 0.00 -0.53 0.00 0.00 39.78 38.84 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 -1.38 2.66 -0.35 1.20 3.76 0.50 -5.11 115.29 116.56 1j0f s HIS 76 Ca 0.17 -0.21 -0.08 0.00 -0.15 0.00 0.00 55.06 54.79 1j0f s HIS 76 Cb 0.15 -1.32 0.04 0.00 1.11 0.00 0.00 32.58 32.56 1j0f s HIS 76 CO 0.00 0.49 0.14 -0.47 -0.85 0.00 0.00 174.74 174.06 1j0f s TYR 77 N -1.59 3.25 -0.00 1.40 5.04 -1.26 -0.59 117.35 123.60 1j0f s TYR 77 Ca 0.24 -1.28 -0.01 0.00 -2.44 0.00 0.00 57.07 53.57 1j0f s TYR 77 Cb -0.09 -2.34 -0.01 0.00 0.35 0.00 0.00 41.96 39.86 1j0f s TYR 77 CO 0.15 -0.71 0.58 0.00 -1.34 0.00 0.00 175.55 174.23 1j0f n GLY 79 N 0.30 -0.56 3.57 0.00 0.00 -1.18 -5.00 105.19 102.32 1j0f n GLY 79 Ca -0.01 -0.64 -0.28 0.00 0.00 0.00 0.00 46.02 45.09 1j0f n GLY 79 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1j0f n ASP 80 N 0.00 3.02 -0.30 1.61 5.75 -1.26 -2.31 116.55 123.06 1j0f n ASP 80 Ca 0.00 -2.98 0.09 0.00 -0.01 0.00 0.00 54.79 51.89 1j0f n ASP 80 Cb 0.00 0.15 0.25 0.00 -1.03 0.00 0.00 41.12 40.49 1j0f n ASP 80 CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 1j0f h TYR 81 N 0.96 0.74 0.29 2.11 5.03 -1.91 0.87 116.97 125.06 1j0f h TYR 81 Ca -0.37 0.04 0.00 0.00 2.58 0.00 0.00 58.73 60.98 1j0f h TYR 81 Cb 1.22 -0.20 -0.03 0.00 1.55 0.00 0.00 36.73 39.27 1j0f h TYR 81 CO 0.00 0.13 -0.42 0.93 -1.32 0.00 0.00 178.16 177.47 1j0f h GLU 82 N 0.57 -0.74 -0.63 1.82 5.08 -1.95 0.31 114.58 119.03 1j0f h GLU 82 Ca 0.49 0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.97 1j0f h GLU 82 Cb 0.75 0.17 -0.06 0.00 0.50 0.00 0.00 28.75 30.11 1j0f h GLU 82 CO -0.40 -0.50 0.31 -0.07 -1.00 0.00 0.00 179.01 177.35 1j0f h LEU 83 N -0.77 0.41 -0.61 1.33 4.07 -1.71 0.35 115.31 118.38 1j0f h LEU 83 Ca -0.01 0.05 0.08 0.00 0.08 0.00 0.00 57.88 58.07 1j0f h LEU 83 Cb 0.73 -0.02 -0.06 0.00 1.08 0.00 0.00 40.66 42.38 1j0f h LEU 83 CO -0.14 0.26 0.28 0.15 -1.08 0.00 0.00 178.44 177.91 1j0f h PHE 84 N 0.56 0.50 -0.28 1.13 3.57 -0.16 -0.50 116.94 121.76 1j0f h PHE 84 Ca 0.30 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.75 1j0f h PHE 84 Cb 0.26 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 1j0f h PHE 84 CO -0.11 0.19 -0.10 -0.24 -2.23 0.00 0.00 178.31 175.82 1j0f h VAL 85 N 0.51 1.29 -0.81 1.41 3.04 0.73 0.13 116.25 122.56 1j0f h VAL 85 Ca 0.29 -1.16 0.16 0.00 -1.01 0.00 0.00 66.70 64.99 1j0f h VAL 85 Cb 0.28 1.45 -0.10 0.00 -2.01 0.00 0.00 31.29 30.91 1j0f h VAL 85 CO -0.24 0.37 0.34 -0.08 -1.01 0.00 0.00 177.57 176.94 1j0f h GLU 86 N 0.32 0.44 0.20 4.17 4.22 0.48 0.38 114.58 124.79 1j0f h GLU 86 Ca 0.07 -0.03 -0.01 0.00 0.08 0.00 0.00 59.36 59.47 1j0f h GLU 86 Cb 0.60 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1j0f h GLU 86 CO 0.03 0.29 -0.10 0.00 -2.18 0.00 0.00 179.01 177.06 1j0f h ALA 87 N 1.60 -0.27 -0.97 2.92 0.00 -0.95 -2.20 119.26 119.38 1j0f h ALA 87 Ca 0.46 -0.18 0.32 0.00 0.00 0.00 0.00 54.91 55.51 1j0f h ALA 87 Cb 0.74 0.10 -0.17 0.00 0.00 0.00 0.00 17.79 18.47 1j0f h ALA 87 CO -0.44 -0.30 0.30 0.28 0.00 0.00 0.00 179.25 179.09 1j0f h VAL 88 N -0.97 0.10 -0.39 0.00 2.07 -0.19 1.66 116.25 118.53 1j0f h VAL 88 Ca -0.03 -0.03 -0.09 0.00 0.82 0.00 0.00 66.70 67.38 1j0f h VAL 88 Cb 0.45 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1j0f h VAL 88 CO 0.05 0.01 -0.09 -0.33 0.02 0.00 0.00 177.57 177.23 1j0f h GLU 89 N 0.08 0.75 0.00 1.57 5.08 -0.28 -2.15 114.58 119.64 1j0f h GLU 89 Ca 0.69 -0.29 0.00 0.00 -1.00 0.00 0.00 59.36 58.77 1j0f h GLU 89 Cb 1.61 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.81 1j0f h GLU 89 CO -0.78 0.89 0.00 1.04 -1.00 0.00 0.00 179.01 179.15 1j0f n GLN 90 N -4.35 0.98 -1.45 2.33 1.13 0.48 -4.83 117.38 111.66 1j0f n GLN 90 Ca -0.01 0.00 -0.16 0.00 -1.94 0.00 0.00 57.00 54.89 1j0f n GLN 90 Cb 0.35 -1.36 -0.07 0.00 0.11 0.00 0.00 30.24 29.28 1j0f n GLN 90 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 1j0f n ASP 91 N -0.86 -5.59 -1.93 1.08 8.00 0.36 -4.81 116.55 112.80 1j0f n ASP 91 Ca 0.17 0.39 -0.20 0.00 0.71 0.00 0.00 54.79 55.85 1j0f n ASP 91 Cb 0.08 -4.47 0.16 0.00 -0.02 0.00 0.00 41.12 36.87 1j0f n ASP 91 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1j0f n THR 92 N -2.31 3.06 0.30 -3.53 -2.24 -0.42 -4.53 114.28 104.60 1j0f n THR 92 Ca -0.16 -2.41 0.17 0.00 -2.27 0.00 0.00 64.05 59.38 1j0f n THR 92 Cb 0.63 -0.55 0.93 0.00 -2.10 0.00 0.00 70.33 69.24 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 1.19 0.00 -0.19 3.22 5.85 -1.88 -0.21 115.31 123.30 1j0f h LEU 93 Ca 0.50 0.00 -0.21 0.00 0.84 0.00 0.00 57.88 59.02 1j0f h LEU 93 Cb 2.18 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 43.19 1j0f h LEU 93 CO 0.96 0.04 -0.94 1.56 -0.34 0.00 0.00 178.44 179.71 1j0f h GLN 94 N 0.00 0.16 0.15 1.25 4.20 -1.91 -3.12 115.11 115.84 1j0f h GLN 94 Ca -0.00 -0.20 -0.01 0.00 0.06 0.00 0.00 58.65 58.50 1j0f h GLN 94 Cb 0.16 0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1j0f h GLN 94 CO 0.01 0.99 -0.07 1.49 -0.67 0.00 0.00 178.83 180.57 1j0f h GLU 95 N 0.08 -0.19 -0.86 1.46 4.22 -1.43 -2.57 114.58 115.29 1j0f h GLU 95 Ca -0.05 0.01 0.22 0.00 0.08 0.00 0.00 59.36 59.62 1j0f h GLU 95 Cb 1.61 0.04 -0.15 0.00 0.50 0.00 0.00 28.75 30.75 1j0f h GLU 95 CO 0.14 0.24 0.10 0.35 -2.18 0.00 0.00 179.01 177.66 1j0f h PHE 96 N -0.90 0.11 -3.75 0.92 3.57 -1.36 -3.41 116.94 112.12 1j0f h PHE 96 Ca -0.02 0.06 -0.45 0.00 3.53 0.00 0.00 57.97 61.09 1j0f h PHE 96 Cb 0.51 0.09 0.16 0.00 2.79 0.00 0.00 35.95 39.51 1j0f h PHE 96 CO 0.09 -0.27 0.40 -0.51 -2.23 0.00 0.00 178.31 175.78 1j0f s LEU 97 N -10.79 2.77 -0.58 0.59 1.43 -1.18 -4.79 118.68 106.13 1j0f s LEU 97 Ca -0.13 0.13 -0.03 0.00 -1.03 0.00 0.00 54.13 53.08 1j0f s LEU 97 Cb 0.25 -2.14 0.23 0.00 0.03 0.00 0.00 46.19 44.56 1j0f s LEU 97 CO 0.77 -2.75 2.33 1.17 0.23 0.00 0.00 176.35 178.09 1j0f n LYS 98 N -3.73 2.44 -0.13 1.70 3.00 -1.26 -4.29 118.16 115.89 1j0f n LYS 98 Ca 0.16 -2.69 -0.28 0.00 -0.00 0.00 0.00 58.31 55.50 1j0f n LYS 98 Cb 0.59 -2.11 -0.10 0.00 0.00 0.00 0.00 35.03 33.41 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 0.11 1.99 0.00 3.14 4.77 -1.22 -5.05 117.00 120.74 1j0f n LEU 99 Ca 0.49 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.81 1j0f n LEU 99 Cb 0.48 -0.86 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 1j0f n LEU 99 CO 0.46 0.54 0.09 0.00 -1.33 0.00 0.00 177.39 177.15