#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 -1.05 0.03 1.61 1.04 -1.26 -5.17 113.70 108.90 1j0f s SER 2 Ca 0.00 1.32 -0.00 0.00 0.48 0.00 0.00 55.95 57.74 1j0f s SER 2 Cb 0.00 2.15 -0.02 0.00 0.10 0.00 0.00 66.02 68.24 1j0f s SER 2 CO 0.00 -0.20 -0.03 -1.83 0.98 0.00 0.00 173.24 172.16 1j0f s GLU 3 N 2.81 0.39 0.00 4.02 -1.05 -1.26 -5.09 118.70 118.52 1j0f s GLU 3 Ca -0.02 -0.75 0.00 0.00 -0.15 0.00 0.00 54.97 54.04 1j0f s GLU 3 Cb -0.11 0.14 0.00 0.00 -0.44 0.00 0.00 34.13 33.71 1j0f s GLU 3 CO -0.19 -0.07 0.00 0.41 0.95 0.00 0.00 175.26 176.37 1j0f n GLY 4 N 1.23 -0.85 3.68 -3.83 0.00 -1.26 -5.17 105.19 99.00 1j0f n GLY 4 Ca -0.22 0.64 -0.30 0.00 0.00 0.00 0.00 46.02 46.14 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 -1.00 3.67 0.38 4.61 0.00 -1.26 -5.16 121.76 123.00 1j0f s ALA 5 Ca 0.00 -0.96 0.08 0.00 0.00 0.00 0.00 51.96 51.07 1j0f s ALA 5 Cb 0.00 0.19 -0.05 0.00 0.00 0.00 0.00 23.12 23.26 1j0f s ALA 5 CO 0.00 -0.10 0.14 0.00 0.00 0.00 0.00 175.76 175.80 1j0f s ALA 6 N -2.91 3.50 0.11 0.00 0.00 -1.26 -5.15 121.76 116.05 1j0f s ALA 6 Ca 0.16 -2.00 0.08 0.00 0.00 0.00 0.00 51.96 50.19 1j0f s ALA 6 Cb 0.04 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 1j0f s ALA 6 CO 0.08 -0.07 -0.19 0.95 0.00 0.00 0.00 175.76 176.54 1j0f s THR 7 N -2.53 1.61 -0.36 0.00 -4.23 -1.26 -5.12 115.64 103.74 1j0f s THR 7 Ca 0.39 -1.62 -0.13 0.00 -1.18 0.00 0.00 61.69 59.16 1j0f s THR 7 Cb 0.01 -1.55 0.00 0.00 1.34 0.00 0.00 72.50 72.30 1j0f s THR 7 CO 0.22 -0.18 0.24 -0.32 -0.54 0.00 0.00 174.62 174.04 1j0f s MET 8 N -2.17 3.23 -0.03 3.99 1.75 -1.26 -5.06 119.30 119.74 1j0f s MET 8 Ca 0.08 -0.82 0.06 0.00 -1.25 0.00 0.00 55.69 53.75 1j0f s MET 8 Cb -0.08 -3.82 -0.01 0.00 2.84 0.00 0.00 34.83 33.75 1j0f s MET 8 CO 0.04 -0.57 -0.20 -1.54 -0.65 0.00 0.00 175.02 172.10 1j0f s SER 9 N 1.68 2.46 -1.14 1.11 1.04 -1.26 -5.07 113.70 112.52 1j0f s SER 9 Ca 0.05 -0.39 -0.09 0.00 0.48 0.00 0.00 55.95 56.00 1j0f s SER 9 Cb -0.18 -0.51 0.26 0.00 0.10 0.00 0.00 66.02 65.70 1j0f s SER 9 CO 0.09 0.22 1.29 0.61 0.98 0.00 0.00 173.24 176.43 1j0f n GLY 10 N 2.86 4.32 3.73 7.32 0.00 -1.26 -4.90 105.19 117.26 1j0f n GLY 10 Ca -0.17 -2.48 -0.41 0.00 0.00 0.00 0.00 46.02 42.96 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 -1.09 4.45 -0.05 0.99 1.98 -1.25 0.18 118.68 123.89 1j0f s LEU 11 Ca 0.33 2.12 0.00 0.00 -2.89 0.00 0.00 54.13 53.70 1j0f s LEU 11 Cb -0.05 -3.60 0.02 0.00 0.66 0.00 0.00 46.19 43.23 1j0f s LEU 11 CO -0.02 -0.33 -0.02 -0.13 -1.89 0.00 0.00 176.35 173.95 1j0f s ARG 12 N -0.02 0.68 -0.49 1.98 0.52 0.13 0.33 118.95 122.08 1j0f s ARG 12 Ca 0.53 -0.02 -0.08 0.00 -0.52 0.00 0.00 55.73 55.64 1j0f s ARG 12 Cb -0.30 -0.81 0.13 0.00 0.52 0.00 0.00 34.95 34.48 1j0f s ARG 12 CO 0.34 -0.15 0.35 0.08 0.02 0.00 0.00 175.30 175.94 1j0f s VAL 13 N 1.20 4.05 -0.63 3.52 1.01 0.71 -0.40 120.40 129.86 1j0f s VAL 13 Ca -0.07 -1.97 -0.27 0.00 0.00 0.00 0.00 61.98 59.68 1j0f s VAL 13 Cb -0.14 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 1j0f s VAL 13 CO -0.02 -0.78 1.70 -0.31 0.00 0.00 0.00 175.10 175.70 1j0f s TYR 14 N 1.15 1.84 0.34 5.22 1.51 0.91 -0.78 117.35 127.56 1j0f s TYR 14 Ca 0.08 0.58 0.07 0.00 -1.01 0.00 0.00 57.07 56.78 1j0f s TYR 14 Cb -0.24 -4.23 -0.07 0.00 -0.11 0.00 0.00 41.96 37.31 1j0f s TYR 14 CO -0.02 -2.26 -0.02 -1.54 -1.11 0.00 0.00 175.55 170.61 1j0f s SER 15 N 6.84 3.22 0.20 2.29 1.04 0.17 -2.39 113.70 125.06 1j0f s SER 15 Ca 0.60 -1.29 0.08 0.00 0.48 0.00 0.00 55.95 55.81 1j0f s SER 15 Cb -0.12 -0.26 -0.05 0.00 0.10 0.00 0.00 66.02 65.70 1j0f s SER 15 CO 0.20 -0.41 -0.15 0.28 0.98 0.00 0.00 173.24 174.15 1j0f s THR 16 N -2.90 1.76 -0.19 2.02 -1.32 -1.26 -0.95 115.64 112.80 1j0f s THR 16 Ca 0.33 -2.21 0.02 0.00 -1.21 0.00 0.00 61.69 58.63 1j0f s THR 16 Cb 0.07 -2.04 -0.13 0.00 -1.51 0.00 0.00 72.50 68.88 1j0f s THR 16 CO 0.16 -0.58 -0.15 -0.24 -2.21 0.00 0.00 174.62 171.59 1j0f n SER 17 N -0.36 2.42 -4.49 8.08 2.88 -1.26 -4.89 113.62 116.00 1j0f n SER 17 Ca -0.08 -0.10 -0.42 0.00 -1.33 0.00 0.00 58.87 56.94 1j0f n SER 17 Cb 0.60 -0.22 -0.10 0.00 -0.75 0.00 0.00 64.21 63.74 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 -2.38 5.22 -0.01 2.46 1.01 -1.26 -5.03 120.40 120.40 1j0f s VAL 18 Ca -0.25 -0.40 -0.24 0.00 0.00 0.00 0.00 61.98 61.09 1j0f s VAL 18 Cb 0.07 -3.89 0.05 0.00 0.00 0.00 0.00 36.38 32.60 1j0f s VAL 18 CO 0.46 -0.24 0.53 0.28 0.00 0.00 0.00 175.10 176.13 1j0f s THR 19 N 1.84 0.02 -0.02 3.92 -1.32 -1.26 -4.99 115.64 113.83 1j0f s THR 19 Ca 0.08 -0.20 0.08 0.00 -1.21 0.00 0.00 61.69 60.43 1j0f s THR 19 Cb -0.18 -0.90 -0.12 0.00 -1.51 0.00 0.00 72.50 69.80 1j0f s THR 19 CO 0.11 -0.11 0.14 0.61 -2.21 0.00 0.00 174.62 173.16 1j0f n GLY 20 N 0.84 -0.36 0.36 6.08 0.00 -1.26 -4.58 105.19 106.27 1j0f n GLY 20 Ca -0.19 -0.17 0.14 0.00 0.00 0.00 0.00 46.02 45.80 1j0f n GLY 20 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1j0f h SER 21 N 0.00 0.75 0.00 1.61 0.02 -2.03 -3.45 113.55 110.45 1j0f h SER 21 Ca -0.04 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1j0f h SER 21 Cb 0.56 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.07 1j0f h SER 21 CO 0.00 0.24 0.00 -1.14 -1.14 0.00 0.00 176.83 174.79 1j0f n ARG 22 N -4.77 0.00 -0.33 3.45 0.63 -1.26 -4.47 116.66 109.91 1j0f n ARG 22 Ca 0.24 0.00 0.24 0.00 -0.92 0.00 0.00 57.85 57.41 1j0f n ARG 22 Cb 0.62 0.00 0.46 0.00 0.45 0.00 0.00 32.46 33.98 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 0.00 0.06 -0.21 -0.14 3.07 -2.00 0.54 114.58 115.91 1j0f h GLU 23 Ca 0.00 -0.00 0.05 0.00 -0.50 0.00 0.00 59.36 58.91 1j0f h GLU 23 Cb 0.00 -0.01 -0.07 0.00 -0.84 0.00 0.00 28.75 27.82 1j0f h GLU 23 CO 0.00 0.04 -0.40 0.82 -1.40 0.00 0.00 179.01 178.07 1j0f h ILE 24 N 0.06 0.16 -0.82 3.13 2.04 -1.88 -1.79 117.51 118.41 1j0f h ILE 24 Ca 0.73 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.67 1j0f h ILE 24 Cb 1.76 0.16 -0.10 0.00 -0.74 0.00 0.00 36.82 37.91 1j0f h ILE 24 CO -0.79 0.00 -0.48 0.29 0.00 0.00 0.00 178.15 177.17 1j0f n LYS 25 N -5.43 -0.36 -0.38 2.37 5.02 0.19 0.21 118.16 119.78 1j0f n LYS 25 Ca -0.03 1.40 -0.03 0.00 -2.02 0.00 0.00 58.31 57.63 1j0f n LYS 25 Cb 0.35 -2.06 0.01 0.00 -0.02 0.00 0.00 35.03 33.32 1j0f n LYS 25 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1j0f n SER 26 N -4.86 -0.71 -0.25 4.39 2.88 -0.71 0.15 113.62 114.52 1j0f n SER 26 Ca 0.02 1.69 0.01 0.00 -1.33 0.00 0.00 58.87 59.25 1j0f n SER 26 Cb 0.21 -0.35 0.13 0.00 -0.75 0.00 0.00 64.21 63.45 1j0f n SER 26 CO 0.00 0.00 0.00 1.56 -1.23 0.00 0.00 175.04 175.37 1j0f h GLN 27 N 0.00 0.66 0.26 -1.46 4.20 0.14 0.52 115.11 119.42 1j0f h GLN 27 Ca 0.30 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.96 1j0f h GLN 27 Cb 0.54 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.17 1j0f h GLN 27 CO -0.95 0.43 -0.12 1.96 -0.67 0.00 0.00 178.83 179.49 1j0f h GLN 28 N 0.68 -0.33 -0.78 1.46 4.20 0.41 0.11 115.11 120.85 1j0f h GLN 28 Ca 0.34 0.02 0.08 0.00 0.06 0.00 0.00 58.65 59.15 1j0f h GLN 28 Cb 0.29 0.08 -0.07 0.00 0.30 0.00 0.00 27.48 28.08 1j0f h GLN 28 CO -0.23 -0.08 0.44 0.77 -0.67 0.00 0.00 178.83 179.07 1j0f h SER 29 N -0.55 0.65 0.59 1.46 0.02 0.18 -0.96 113.55 114.92 1j0f h SER 29 Ca -0.04 0.04 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 1j0f h SER 29 Cb 0.41 -0.09 0.01 0.00 0.14 0.00 0.00 62.40 62.87 1j0f h SER 29 CO 0.06 0.39 -0.28 -0.33 -1.14 0.00 0.00 176.83 175.52 1j0f h GLU 30 N 0.77 -0.76 -0.97 3.45 5.08 0.18 0.29 114.58 122.62 1j0f h GLU 30 Ca 0.36 0.05 0.13 0.00 -1.00 0.00 0.00 59.36 58.91 1j0f h GLU 30 Cb 0.29 0.17 -0.15 0.00 0.50 0.00 0.00 28.75 29.56 1j0f h GLU 30 CO -0.22 -0.51 -0.45 0.28 -1.00 0.00 0.00 179.01 177.12 1j0f h VAL 31 N -0.85 0.01 -0.78 3.13 2.07 -0.58 1.17 116.25 120.41 1j0f h VAL 31 Ca -0.08 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.48 1j0f h VAL 31 Cb 0.60 0.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.33 1j0f h VAL 31 CO 0.13 0.00 0.49 0.71 0.02 0.00 0.00 177.57 178.92 1j0f h THR 32 N -0.02 1.08 0.76 2.57 1.35 -1.13 0.26 112.91 117.78 1j0f h THR 32 Ca 0.29 -0.32 -0.03 0.00 -0.55 0.00 0.00 66.41 65.79 1j0f h THR 32 Cb 0.54 0.07 -0.00 0.00 -1.73 0.00 0.00 68.15 67.03 1j0f h THR 32 CO -0.95 0.17 -0.45 -0.09 -0.25 0.00 0.00 175.52 173.95 1j0f h ARG 33 N 0.94 -1.09 -0.55 4.72 2.43 0.49 1.45 114.38 122.77 1j0f h ARG 33 Ca 0.32 0.07 0.08 0.00 -0.81 0.00 0.00 59.98 59.65 1j0f h ARG 33 Cb 0.07 0.25 -0.06 0.00 -0.42 0.00 0.00 29.97 29.80 1j0f h ARG 33 CO -0.13 -0.72 0.20 0.82 -1.51 0.00 0.00 179.97 178.62 1j0f h ILE 34 N -1.13 0.81 -0.74 1.20 2.04 0.43 0.42 117.51 120.54 1j0f h ILE 34 Ca -0.10 -0.13 -0.02 0.00 1.00 0.00 0.00 64.86 65.61 1j0f h ILE 34 Cb 0.90 0.39 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 1j0f h ILE 34 CO 0.11 0.07 0.39 -0.07 0.00 0.00 0.00 178.15 178.65 1j0f h LEU 35 N 0.38 0.94 0.49 1.44 3.38 -0.21 0.42 115.31 122.15 1j0f h LEU 35 Ca 0.27 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.10 1j0f h LEU 35 Cb 0.30 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1j0f h LEU 35 CO -0.27 0.78 -0.24 0.44 0.09 0.00 0.00 178.44 179.24 1j0f h ASP 36 N 1.02 -0.56 -0.44 -0.43 3.32 0.37 0.14 116.42 119.84 1j0f h ASP 36 Ca 0.26 0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.35 1j0f h ASP 36 Cb 0.06 0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 1j0f h ASP 36 CO -0.04 -0.40 0.25 1.23 -1.72 0.00 0.00 179.24 178.56 1j0f h GLY 37 N -0.67 0.62 2.00 2.75 0.00 -0.01 0.13 103.07 107.89 1j0f h GLY 37 Ca -0.07 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.08 1j0f h GLY 37 CO 0.11 0.15 0.00 0.28 0.00 0.00 0.00 176.54 177.08 1j0f n LYS 38 N -4.86 0.12 -3.64 4.80 5.02 0.15 -4.84 118.16 114.90 1j0f n LYS 38 Ca 0.02 0.47 -0.24 0.00 -2.02 0.00 0.00 58.31 56.55 1j0f n LYS 38 Cb 0.08 -1.78 0.07 0.00 -0.02 0.00 0.00 35.03 33.38 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 -2.01 -6.96 -3.09 1.97 5.12 0.46 -4.96 116.66 107.19 1j0f n ARG 39 Ca 0.01 0.77 -0.38 0.00 -1.93 0.00 0.00 57.85 56.32 1j0f n ARG 39 Cb 0.12 -5.74 -0.06 0.00 -1.16 0.00 0.00 32.46 25.62 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 -3.36 4.53 -0.50 0.55 1.01 -0.33 -5.01 121.20 118.09 1j0f s ILE 40 Ca 0.44 1.41 -0.27 0.00 0.00 0.00 0.00 60.65 62.23 1j0f s ILE 40 Cb -0.20 -3.96 0.03 0.00 0.01 0.00 0.00 42.46 38.34 1j0f s ILE 40 CO 0.76 0.38 1.07 -1.10 0.00 0.00 0.00 174.94 176.05 1j0f s GLN 41 N -1.53 3.59 0.22 2.79 1.11 -1.26 -4.83 119.66 119.76 1j0f s GLN 41 Ca 0.38 0.31 -0.08 0.00 0.01 0.00 0.00 55.36 55.98 1j0f s GLN 41 Cb -0.19 -3.95 -0.02 0.00 -1.01 0.00 0.00 33.01 27.84 1j0f s GLN 41 CO 0.22 -1.40 0.33 1.52 0.01 0.00 0.00 175.29 175.98 1j0f s TYR 42 N 4.29 0.67 -0.08 0.91 -0.85 -1.26 -3.80 117.35 117.23 1j0f s TYR 42 Ca 0.42 -0.98 0.02 0.00 -0.52 0.00 0.00 57.07 56.01 1j0f s TYR 42 Cb -0.09 -0.12 0.01 0.00 0.38 0.00 0.00 41.96 42.15 1j0f s TYR 42 CO 0.28 -0.84 -0.13 -1.14 -1.52 0.00 0.00 175.55 172.20 1j0f s GLN 43 N -4.07 1.88 -0.34 -3.49 0.74 0.15 -4.95 119.66 109.58 1j0f s GLN 43 Ca 0.28 -0.46 -0.29 0.00 0.05 0.00 0.00 55.36 54.95 1j0f s GLN 43 Cb 0.03 -1.58 0.01 0.00 1.10 0.00 0.00 33.01 32.56 1j0f s GLN 43 CO 0.10 -0.01 1.30 -1.17 -0.55 0.00 0.00 175.29 174.95 1j0f s LEU 44 N 0.82 3.81 -0.43 3.68 2.96 -1.26 -0.21 118.68 128.04 1j0f s LEU 44 Ca -0.11 1.07 -0.16 0.00 -0.22 0.00 0.00 54.13 54.71 1j0f s LEU 44 Cb -0.15 -3.54 0.04 0.00 0.50 0.00 0.00 46.19 43.03 1j0f s LEU 44 CO 0.02 -1.15 0.37 -0.69 -1.32 0.00 0.00 176.35 173.57 1j0f s VAL 45 N 4.56 5.20 -0.57 1.68 1.01 0.04 -4.91 120.40 127.41 1j0f s VAL 45 Ca 0.56 -0.71 -0.28 0.00 0.00 0.00 0.00 61.98 61.55 1j0f s VAL 45 Cb -0.15 -4.02 0.03 0.00 0.00 0.00 0.00 36.38 32.23 1j0f s VAL 45 CO 0.25 -0.43 1.23 -0.62 0.00 0.00 0.00 175.10 175.53 1j0f s ASP 46 N 2.01 6.40 0.31 3.32 2.15 -1.25 -0.66 116.67 128.96 1j0f s ASP 46 Ca 0.07 0.17 0.16 0.00 0.43 0.00 0.00 52.55 53.38 1j0f s ASP 46 Cb -0.20 -2.55 0.38 0.00 -0.30 0.00 0.00 42.92 40.25 1j0f s ASP 46 CO 0.10 -1.51 1.59 0.16 -0.17 0.00 0.00 175.17 175.34 1j0f h ILE 47 N 6.21 1.02 0.08 4.11 3.07 -1.33 -3.21 117.51 127.46 1j0f h ILE 47 Ca -0.25 -1.98 -0.00 0.00 1.55 0.00 0.00 64.86 64.17 1j0f h ILE 47 Cb 1.06 2.19 0.00 0.00 -0.27 0.00 0.00 36.82 39.80 1j0f h ILE 47 CO 1.18 0.49 -0.04 0.77 -1.05 0.00 0.00 178.15 179.51 1j0f h SER 48 N 0.00 -0.09 -0.29 2.16 4.64 -1.89 -3.16 113.55 114.92 1j0f h SER 48 Ca -0.01 -0.00 0.03 0.00 -0.47 0.00 0.00 61.79 61.34 1j0f h SER 48 Cb 1.15 0.02 -0.04 0.00 -0.31 0.00 0.00 62.40 63.22 1j0f h SER 48 CO 0.07 -0.06 -0.19 1.56 -0.87 0.00 0.00 176.83 177.34 1j0f h GLN 49 N -0.11 -0.02 -5.06 4.77 1.08 -1.93 -3.36 115.11 110.48 1j0f h GLN 49 Ca -0.01 0.00 -0.64 0.00 -1.45 0.00 0.00 58.65 56.55 1j0f h GLN 49 Cb 0.09 0.00 -0.20 0.00 -0.05 0.00 0.00 27.48 27.32 1j0f h GLN 49 CO 0.02 -0.01 -0.61 0.34 -0.95 0.00 0.00 178.83 177.62 1j0f s ASP 50 N -3.75 5.29 0.30 1.46 -1.08 -1.19 -4.97 116.67 112.73 1j0f s ASP 50 Ca -0.04 -0.11 -0.00 0.00 -0.52 0.00 0.00 52.55 51.87 1j0f s ASP 50 Cb 0.03 -1.93 0.50 0.00 -1.46 0.00 0.00 42.92 40.06 1j0f s ASP 50 CO 0.20 0.04 1.94 0.78 0.52 0.00 0.00 175.17 178.65 1j0f h ASN 51 N 7.71 0.91 -0.65 -0.34 2.35 -1.72 -2.21 115.58 121.64 1j0f h ASN 51 Ca -0.37 -0.01 0.12 0.00 -0.55 0.00 0.00 56.30 55.49 1j0f h ASN 51 Cb 1.18 -0.21 -0.12 0.00 0.05 0.00 0.00 38.32 39.21 1j0f h ASN 51 CO 0.61 0.63 -0.32 0.00 -1.65 0.00 0.00 177.43 176.70 1j0f h ALA 52 N 1.50 0.05 -0.72 -0.83 0.00 -1.93 0.16 119.26 117.48 1j0f h ALA 52 Ca 0.34 0.19 0.11 0.00 0.00 0.00 0.00 54.91 55.55 1j0f h ALA 52 Cb 0.03 0.78 -0.12 0.00 0.00 0.00 0.00 17.79 18.48 1j0f h ALA 52 CO -0.10 -0.63 -0.40 -0.07 0.00 0.00 0.00 179.25 178.04 1j0f h LEU 53 N -0.12 -1.43 -0.93 0.00 3.38 -1.64 0.76 115.31 115.33 1j0f h LEU 53 Ca 0.26 0.26 0.32 0.00 0.09 0.00 0.00 57.88 58.81 1j0f h LEU 53 Cb 0.55 0.69 -0.17 0.00 0.09 0.00 0.00 40.66 41.82 1j0f h LEU 53 CO -0.72 -0.31 0.25 -1.14 0.09 0.00 0.00 178.44 176.61 1j0f n ARG 54 N -5.42 -0.07 -0.00 1.13 0.63 0.53 0.10 116.66 113.56 1j0f n ARG 54 Ca 0.05 1.34 -0.02 0.00 -0.92 0.00 0.00 57.85 58.31 1j0f n ARG 54 Cb 0.36 -2.26 -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 -0.08 -0.94 6.15 1.82 0.45 -2.94 116.42 120.87 1j0f h ASP 55 Ca 0.67 0.00 0.37 0.00 -0.39 0.00 0.00 57.03 57.69 1j0f h ASP 55 Cb 1.60 0.02 -0.17 0.00 0.68 0.00 0.00 39.33 41.46 1j0f h ASP 55 CO -0.80 0.36 0.43 -0.62 -1.61 0.00 0.00 179.24 177.00 1j0f n GLU 56 N -4.62 -0.06 0.06 0.28 4.71 0.11 0.11 120.64 121.23 1j0f n GLU 56 Ca -0.01 1.32 -0.13 0.00 -0.01 0.00 0.00 57.16 58.33 1j0f n GLU 56 Cb 0.04 -2.32 -0.08 0.00 -1.01 0.00 0.00 31.44 28.07 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 -0.13 -0.46 3.49 4.05 0.57 -1.10 114.93 121.35 1j0f h MET 57 Ca 0.76 0.01 0.09 0.00 -0.28 0.00 0.00 59.70 60.28 1j0f h MET 57 Cb 1.96 0.03 -0.08 0.00 -0.80 0.00 0.00 31.60 32.71 1j0f h MET 57 CO -0.75 0.15 -0.03 0.00 0.23 0.00 0.00 176.91 176.51 1j0f h ARG 58 N -0.41 0.08 0.43 0.39 3.08 1.00 0.11 114.38 119.05 1j0f h ARG 58 Ca -0.01 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 1j0f h ARG 58 Cb 0.34 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 1j0f h ARG 58 CO 0.02 0.05 -0.27 1.15 -1.07 0.00 0.00 179.97 179.85 1j0f h THR 59 N 0.08 0.43 -0.25 2.04 2.02 -0.97 0.30 112.91 116.56 1j0f h THR 59 Ca 0.23 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.45 1j0f h THR 59 Cb 0.34 0.43 -0.07 0.00 -1.74 0.00 0.00 68.15 67.11 1j0f h THR 59 CO -0.41 0.00 -0.50 -0.07 0.37 0.00 0.00 175.52 174.91 1j0f h LEU 60 N -0.67 -1.61 0.16 2.58 3.38 -0.55 -2.05 115.31 116.55 1j0f h LEU 60 Ca -0.05 0.21 0.01 0.00 0.09 0.00 0.00 57.88 58.14 1j0f h LEU 60 Cb 0.56 0.66 -0.05 0.00 0.09 0.00 0.00 40.66 41.92 1j0f h LEU 60 CO 0.04 -0.43 -0.53 0.00 0.09 0.00 0.00 178.44 177.60 1j0f h ALA 61 N -0.01 -1.02 0.00 1.53 0.00 -0.64 -3.47 119.26 115.65 1j0f h ALA 61 Ca 0.07 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1j0f h ALA 61 Cb 0.64 0.89 0.00 0.00 0.00 0.00 0.00 17.79 19.31 1j0f h ALA 61 CO -0.49 -1.14 0.00 0.41 0.00 0.00 0.00 179.25 178.03 1j0f n GLY 62 N -1.50 0.85 3.64 0.00 0.00 0.91 -5.07 105.19 104.03 1j0f n GLY 62 Ca -0.09 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.64 -0.45 0.20 1.61 2.47 -0.35 -5.03 114.94 111.75 1j0f s ASN 63 Ca 0.00 0.75 0.06 0.00 0.42 0.00 0.00 52.86 54.09 1j0f s ASN 63 Cb 0.00 1.07 0.11 0.00 -1.45 0.00 0.00 41.25 40.98 1j0f s ASN 63 CO 0.00 -0.12 1.46 1.55 -3.72 0.00 0.00 177.10 176.27 1j0f h PRO 64 N 5.46 0.09 -1.29 0.43 0.13 -1.98 -3.14 132.00 131.71 1j0f h PRO 64 Ca -0.28 -0.09 -0.48 0.00 -0.87 0.00 0.00 66.00 64.28 1j0f h PRO 64 Cb 1.19 0.02 -0.21 0.00 0.13 0.00 0.00 31.00 32.13 1j0f h PRO 64 CO 0.18 0.82 0.63 1.63 -0.23 0.00 0.00 178.00 181.02 1j0f n LYS 65 N -3.68 2.20 -2.48 0.86 4.76 -1.26 -4.94 118.16 113.63 1j0f n LYS 65 Ca -0.02 -2.34 -0.24 0.00 -2.87 0.00 0.00 58.31 52.84 1j0f n LYS 65 Cb 0.74 -1.92 0.05 0.00 -1.84 0.00 0.00 35.03 32.06 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 -2.73 3.55 0.15 7.82 0.00 -1.18 -5.12 121.76 124.25 1j0f s ALA 66 Ca 0.46 -1.09 -0.19 0.00 0.00 0.00 0.00 51.96 51.15 1j0f s ALA 66 Cb 0.36 -2.33 0.04 0.00 0.00 0.00 0.00 23.12 21.19 1j0f s ALA 66 CO -0.01 -0.93 0.49 0.95 0.00 0.00 0.00 175.76 176.27 1j0f s THR 67 N -2.95 0.04 0.85 0.00 -4.23 -1.26 -4.98 115.64 103.10 1j0f s THR 67 Ca 0.57 -0.46 -0.12 0.00 -1.18 0.00 0.00 61.69 60.51 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 0.41 -0.17 1.11 -2.16 -0.54 0.00 0.00 174.62 173.28 1j0f s PRO 68 N -3.81 1.68 0.79 3.99 0.04 -1.26 -4.67 135.00 131.76 1j0f s PRO 68 Ca 0.04 0.49 -0.13 0.00 0.04 0.00 0.00 61.00 61.44 1j0f s PRO 68 Cb 0.00 -1.88 0.19 0.00 0.04 0.00 0.00 34.50 32.85 1j0f s PRO 68 CO -0.10 -1.87 0.87 -0.35 0.04 0.00 0.00 177.00 175.60 1j0f n PRO 69 N -3.57 -1.73 -3.45 0.56 -0.04 -1.26 -4.84 135.00 120.67 1j0f n PRO 69 Ca 0.07 -1.37 -0.01 0.00 -0.04 0.00 0.00 63.50 62.15 1j0f n PRO 69 Cb 0.58 -1.08 -0.04 0.00 -0.04 0.00 0.00 33.50 32.92 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 -4.94 0.51 -0.06 0.54 2.00 -1.01 -4.30 119.66 112.41 1j0f s GLN 70 Ca 0.53 1.14 -0.17 0.00 -2.00 0.00 0.00 55.36 54.85 1j0f s GLN 70 Cb -0.03 0.54 -0.05 0.00 0.80 0.00 0.00 33.01 34.27 1j0f s GLN 70 CO 0.38 -0.40 0.47 0.42 -0.50 0.00 0.00 175.29 175.67 1j0f s ILE 71 N 2.81 5.09 0.01 -2.34 1.09 -1.16 -0.06 121.20 126.64 1j0f s ILE 71 Ca 0.06 0.96 0.02 0.00 -1.10 0.00 0.00 60.65 60.58 1j0f s ILE 71 Cb -0.13 -3.80 -0.01 0.00 -1.06 0.00 0.00 42.46 37.45 1j0f s ILE 71 CO -0.18 0.42 -0.06 -0.69 -0.10 0.00 0.00 174.94 174.33 1j0f s VAL 72 N -0.03 0.40 -0.29 2.92 1.01 0.46 -2.47 120.40 122.41 1j0f s VAL 72 Ca 0.26 -0.53 0.03 0.00 0.00 0.00 0.00 61.98 61.74 1j0f s VAL 72 Cb -0.16 -0.40 0.08 0.00 0.00 0.00 0.00 36.38 35.89 1j0f s VAL 72 CO 0.12 -0.09 -0.04 0.21 0.00 0.00 0.00 175.10 175.29 1j0f s ASN 73 N -0.68 4.50 0.00 3.32 3.84 0.69 0.17 114.94 126.78 1j0f s ASN 73 Ca -0.03 -1.65 0.00 0.00 0.21 0.00 0.00 52.86 51.38 1j0f s ASN 73 Cb -0.05 -1.53 0.00 0.00 -0.55 0.00 0.00 41.25 39.12 1j0f s ASN 73 CO -0.00 -0.27 0.00 0.61 -2.79 0.00 0.00 177.10 174.65 1j0f n GLY 74 N 4.40 0.24 0.42 1.21 0.00 0.13 0.17 105.19 111.75 1j0f n GLY 74 Ca -0.07 0.59 0.04 0.00 0.00 0.00 0.00 46.02 46.58 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 2.01 0.89 -4.51 1.61 4.13 -1.26 -4.99 115.26 113.14 1j0f n ASN 75 Ca 0.00 -2.42 -0.29 0.00 1.68 0.00 0.00 54.58 53.54 1j0f n ASN 75 Cb 0.00 -0.29 -0.11 0.00 -1.54 0.00 0.00 39.78 37.84 1j0f n ASN 75 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1j0f s HIS 76 N -1.06 2.58 -0.44 3.10 3.76 0.45 -5.10 115.29 118.57 1j0f s HIS 76 Ca 0.14 -0.24 -0.10 0.00 -0.15 0.00 0.00 55.06 54.71 1j0f s HIS 76 Cb 0.13 -1.35 0.10 0.00 1.11 0.00 0.00 32.58 32.56 1j0f s HIS 76 CO -0.00 0.41 0.30 -0.47 -0.85 0.00 0.00 174.74 174.13 1j0f s TYR 77 N -1.22 3.37 0.00 1.40 5.04 -1.26 -0.22 117.35 124.45 1j0f s TYR 77 Ca 0.19 -1.64 0.00 0.00 -2.44 0.00 0.00 57.07 53.18 1j0f s TYR 77 Cb -0.10 -3.20 0.00 0.00 0.35 0.00 0.00 41.96 39.00 1j0f s TYR 77 CO 0.11 -0.91 1.00 0.00 -1.34 0.00 0.00 175.55 174.41 1j0f n GLY 79 N -1.00 -0.64 1.54 0.00 0.00 -1.23 -4.98 105.19 98.88 1j0f n GLY 79 Ca 0.00 -0.52 -0.09 0.00 0.00 0.00 0.00 46.02 45.40 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 1.36 -0.20 1.61 5.75 -1.26 -3.01 116.55 120.80 1j0f n ASP 80 Ca 0.00 -1.70 -0.03 0.00 -0.01 0.00 0.00 54.79 53.05 1j0f n ASP 80 Cb 0.00 -0.08 0.08 0.00 -1.03 0.00 0.00 41.12 40.09 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 0.36 0.59 0.84 2.11 5.03 -1.93 -0.73 116.97 123.23 1j0f h TYR 81 Ca -0.13 0.02 -0.04 0.00 2.58 0.00 0.00 58.73 61.17 1j0f h TYR 81 Cb 0.50 -0.18 0.00 0.00 1.55 0.00 0.00 36.73 38.61 1j0f h TYR 81 CO 0.00 0.29 -0.45 0.93 -1.32 0.00 0.00 178.16 177.61 1j0f h GLU 82 N 0.61 -1.14 -0.91 1.82 4.39 -1.96 0.76 114.58 118.15 1j0f h GLU 82 Ca 0.26 0.08 0.25 0.00 0.34 0.00 0.00 59.36 60.29 1j0f h GLU 82 Cb 0.15 0.26 -0.14 0.00 -0.10 0.00 0.00 28.75 28.92 1j0f h GLU 82 CO -0.17 -0.76 0.34 -0.07 -1.16 0.00 0.00 179.01 177.19 1j0f h LEU 83 N -1.18 0.19 0.46 1.33 4.07 -1.90 0.93 115.31 119.21 1j0f h LEU 83 Ca -0.11 0.18 -0.02 0.00 0.08 0.00 0.00 57.88 58.01 1j0f h LEU 83 Cb 0.93 0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.88 1j0f h LEU 83 CO 0.16 -0.11 -0.22 0.15 -1.08 0.00 0.00 178.44 177.33 1j0f h PHE 84 N 0.28 -0.58 -0.86 1.13 3.57 -0.70 -2.50 116.94 117.29 1j0f h PHE 84 Ca 0.59 -0.01 0.21 0.00 3.53 0.00 0.00 57.97 62.29 1j0f h PHE 84 Cb 1.21 0.19 -0.13 0.00 2.79 0.00 0.00 35.95 40.01 1j0f h PHE 84 CO -0.18 -0.36 0.28 -0.24 -2.23 0.00 0.00 178.31 175.58 1j0f h VAL 85 N -0.87 0.41 0.03 1.41 3.04 0.15 0.11 116.25 120.53 1j0f h VAL 85 Ca -0.06 -0.10 0.01 0.00 -1.01 0.00 0.00 66.70 65.53 1j0f h VAL 85 Cb 0.48 0.10 -0.02 0.00 -2.01 0.00 0.00 31.29 29.84 1j0f h VAL 85 CO 0.10 0.05 -0.19 -0.33 -1.01 0.00 0.00 177.57 176.20 1j0f h GLU 86 N 0.29 -0.25 -0.34 4.17 5.08 0.87 0.17 114.58 124.58 1j0f h GLU 86 Ca 0.53 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.98 1j0f h GLU 86 Cb 1.01 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 30.23 1j0f h GLU 86 CO -0.58 -0.17 -0.30 0.00 -1.00 0.00 0.00 179.01 176.97 1j0f h ALA 87 N -1.17 -0.16 -0.86 3.43 0.00 -0.81 0.18 119.26 119.87 1j0f h ALA 87 Ca -0.00 0.09 0.16 0.00 0.00 0.00 0.00 54.91 55.17 1j0f h ALA 87 Cb 0.27 0.63 -0.16 0.00 0.00 0.00 0.00 17.79 18.53 1j0f h ALA 87 CO -0.11 -0.71 -0.26 0.28 0.00 0.00 0.00 179.25 178.45 1j0f h VAL 88 N -0.26 0.11 -0.73 0.00 2.07 -0.41 1.07 116.25 118.10 1j0f h VAL 88 Ca 0.16 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.66 1j0f h VAL 88 Cb 0.52 0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.36 1j0f h VAL 88 CO -0.48 0.00 0.37 -0.33 0.02 0.00 0.00 177.57 177.14 1j0f h GLU 89 N -0.02 1.04 0.00 1.57 5.08 0.15 -0.14 114.58 122.26 1j0f h GLU 89 Ca 0.39 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.60 1j0f h GLU 89 Cb 0.62 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1j0f h GLU 89 CO -0.89 0.80 0.00 1.04 -1.00 0.00 0.00 179.01 178.97 1j0f n GLN 90 N -4.43 0.59 -2.49 2.33 1.13 0.30 -4.83 117.38 109.98 1j0f n GLN 90 Ca 0.06 0.02 -0.20 0.00 -1.94 0.00 0.00 57.00 54.95 1j0f n GLN 90 Cb 0.12 -1.50 -0.00 0.00 0.11 0.00 0.00 30.24 28.97 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 -1.08 -5.65 -0.81 1.08 9.92 0.25 -4.86 116.55 115.40 1j0f n ASP 91 Ca 0.15 -0.07 0.06 0.00 -0.53 0.00 0.00 54.79 54.40 1j0f n ASP 91 Cb 0.10 -4.64 0.17 0.00 -0.64 0.00 0.00 41.12 36.11 1j0f n ASP 91 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1j0f n THR 92 N -4.10 1.71 0.31 -3.53 -2.24 -0.22 -4.74 114.28 101.47 1j0f n THR 92 Ca -0.21 -2.74 0.18 0.00 -2.27 0.00 0.00 64.05 59.01 1j0f n THR 92 Cb 0.66 0.04 1.01 0.00 -2.10 0.00 0.00 70.33 69.94 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 1.00 0.00 -0.73 3.22 5.85 -1.85 0.18 115.31 122.98 1j0f h LEU 93 Ca -0.05 0.00 -0.09 0.00 0.84 0.00 0.00 57.88 58.57 1j0f h LEU 93 Cb 1.21 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 1j0f h LEU 93 CO 0.02 0.01 -0.45 1.56 -0.34 0.00 0.00 178.44 179.24 1j0f h GLN 94 N 0.00 0.00 0.00 1.25 4.20 -1.93 -2.85 115.11 115.78 1j0f h GLN 94 Ca -0.00 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.66 1j0f h GLN 94 Cb 0.05 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 1j0f h GLN 94 CO 0.00 0.45 -0.27 0.93 -0.67 0.00 0.00 178.83 179.27 1j0f h GLU 95 N 0.00 0.00 -0.35 1.46 4.39 -0.92 -2.16 114.58 117.00 1j0f h GLU 95 Ca -0.00 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.77 1j0f h GLU 95 Cb 1.04 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.60 1j0f h GLU 95 CO 0.06 0.91 -0.36 0.35 -1.16 0.00 0.00 179.01 178.81 1j0f h PHE 96 N -1.00 -1.01 -0.26 4.33 3.57 -1.37 -3.42 116.94 117.79 1j0f h PHE 96 Ca -0.07 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1j0f h PHE 96 Cb 0.98 0.49 0.00 0.00 2.79 0.00 0.00 35.95 40.22 1j0f h PHE 96 CO 0.21 -0.41 0.00 1.28 -2.23 0.00 0.00 178.31 177.17 1j0f n LEU 97 N -5.42 0.00 -2.43 0.59 4.77 -1.08 -4.83 117.00 108.61 1j0f n LEU 97 Ca -0.00 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.71 1j0f n LEU 97 Cb 0.34 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 1j0f n LEU 97 CO 0.08 -0.21 0.25 0.29 -1.33 0.00 0.00 177.39 176.46 1j0f n LYS 98 N 0.00 3.43 -0.13 3.23 4.01 -1.26 -4.71 118.16 122.73 1j0f n LYS 98 Ca 0.00 -4.41 -0.28 0.00 -0.51 0.00 0.00 58.31 53.11 1j0f n LYS 98 Cb 0.00 -2.26 -0.10 0.00 -0.51 0.00 0.00 35.03 32.16 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 -0.52 1.94 0.00 -0.35 4.32 -1.21 -4.99 117.00 116.19 1j0f n LEU 99 Ca 0.40 0.36 0.00 0.00 -0.02 0.00 0.00 56.01 56.75 1j0f n LEU 99 Cb 0.69 -0.86 0.00 0.00 -1.62 0.00 0.00 43.42 41.63 1j0f n LEU 99 CO 0.35 0.51 0.02 0.00 -1.22 0.00 0.00 177.39 177.05