#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 -0.40 0.23 1.61 1.04 -1.26 -5.14 113.70 109.78 1j0f s SER 2 Ca 0.00 0.07 -0.28 0.00 0.48 0.00 0.00 55.95 56.22 1j0f s SER 2 Cb 0.00 0.41 -0.16 0.00 0.10 0.00 0.00 66.02 66.37 1j0f s SER 2 CO 0.00 -0.63 0.68 -0.62 0.98 0.00 0.00 173.24 173.65 1j0f n GLU 3 N -0.11 0.44 0.00 4.02 4.71 -1.26 -4.97 120.64 123.47 1j0f n GLU 3 Ca -0.10 0.16 0.00 0.00 -0.01 0.00 0.00 57.16 57.20 1j0f n GLU 3 Cb 0.62 -1.28 0.00 0.00 -1.01 0.00 0.00 31.44 29.77 1j0f n GLU 3 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1j0f n GLY 4 N 1.74 0.63 3.31 0.62 0.00 -1.26 -5.01 105.19 105.22 1j0f n GLY 4 Ca 0.15 -0.95 -0.35 0.00 0.00 0.00 0.00 46.02 44.87 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 -3.89 2.87 -1.04 4.61 0.00 -1.26 -5.04 121.76 118.01 1j0f s ALA 5 Ca 0.00 -1.24 -0.16 0.00 0.00 0.00 0.00 51.96 50.55 1j0f s ALA 5 Cb 0.00 -1.80 0.16 0.00 0.00 0.00 0.00 23.12 21.48 1j0f s ALA 5 CO 0.00 -0.56 1.22 0.00 0.00 0.00 0.00 175.76 176.42 1j0f s ALA 6 N 1.47 3.70 0.36 0.00 0.00 -1.26 -5.01 121.76 121.02 1j0f s ALA 6 Ca 0.05 -3.07 -0.23 0.00 0.00 0.00 0.00 51.96 48.71 1j0f s ALA 6 Cb -0.15 -4.03 -0.10 0.00 0.00 0.00 0.00 23.12 18.84 1j0f s ALA 6 CO -0.02 -2.83 0.92 -0.08 0.00 0.00 0.00 175.76 173.74 1j0f s THR 7 N 1.97 4.33 1.02 0.00 -1.32 -1.26 -5.02 115.64 115.36 1j0f s THR 7 Ca 0.36 1.60 -0.19 0.00 -1.21 0.00 0.00 61.69 62.25 1j0f s THR 7 Cb -0.05 -3.82 -0.04 0.00 -1.51 0.00 0.00 72.50 67.09 1j0f s THR 7 CO -0.06 -0.05 -0.42 0.80 -2.21 0.00 0.00 174.62 172.68 1j0f n MET 8 N 0.06 -0.51 -3.29 7.08 1.56 -1.26 -4.99 117.12 115.76 1j0f n MET 8 Ca 0.04 -0.13 -0.18 0.00 -0.27 0.00 0.00 57.70 57.15 1j0f n MET 8 Cb 0.52 -1.42 -0.07 0.00 2.15 0.00 0.00 33.22 34.39 1j0f n MET 8 CO 0.00 0.00 0.00 -1.12 -0.73 0.00 0.00 175.97 174.12 1j0f s SER 9 N -1.51 0.98 -1.33 6.12 0.01 -1.26 -5.05 113.70 111.66 1j0f s SER 9 Ca 0.48 -2.02 -0.12 0.00 1.31 0.00 0.00 55.95 55.61 1j0f s SER 9 Cb -0.11 0.44 0.12 0.00 0.21 0.00 0.00 66.02 66.68 1j0f s SER 9 CO 0.71 -0.21 1.95 0.61 0.41 0.00 0.00 173.24 176.70 1j0f n GLY 10 N 3.70 4.41 3.75 3.44 0.00 -1.26 -4.72 105.19 114.51 1j0f n GLY 10 Ca 0.17 -1.89 -0.40 0.00 0.00 0.00 0.00 46.02 43.90 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 1.02 4.53 -0.05 0.99 2.96 -1.24 -1.11 118.68 125.79 1j0f s LEU 11 Ca 0.43 2.26 0.02 0.00 -0.22 0.00 0.00 54.13 56.62 1j0f s LEU 11 Cb 0.10 -3.62 0.02 0.00 0.50 0.00 0.00 46.19 43.18 1j0f s LEU 11 CO -0.02 -0.18 -0.09 -0.13 -1.32 0.00 0.00 176.35 174.61 1j0f s ARG 12 N -1.24 1.25 -0.44 1.98 0.52 0.10 0.71 118.95 121.83 1j0f s ARG 12 Ca 0.46 -0.27 -0.04 0.00 -0.52 0.00 0.00 55.73 55.36 1j0f s ARG 12 Cb -0.32 -1.11 0.12 0.00 0.52 0.00 0.00 34.95 34.16 1j0f s ARG 12 CO 0.40 -0.01 0.26 0.08 0.02 0.00 0.00 175.30 176.05 1j0f s VAL 13 N 0.72 3.51 -0.59 3.52 1.01 0.68 -0.65 120.40 128.60 1j0f s VAL 13 Ca -0.12 -2.10 -0.27 0.00 0.00 0.00 0.00 61.98 59.48 1j0f s VAL 13 Cb -0.15 -3.37 -0.01 0.00 0.00 0.00 0.00 36.38 32.85 1j0f s VAL 13 CO 0.02 -0.73 1.72 -0.31 0.00 0.00 0.00 175.10 175.80 1j0f s TYR 14 N 1.06 1.85 0.12 5.22 1.51 0.65 -0.52 117.35 127.24 1j0f s TYR 14 Ca 0.09 0.63 0.08 0.00 -1.01 0.00 0.00 57.07 56.86 1j0f s TYR 14 Cb -0.23 -4.20 -0.04 0.00 -0.11 0.00 0.00 41.96 37.38 1j0f s TYR 14 CO -0.04 -2.30 -0.20 -1.54 -1.11 0.00 0.00 175.55 170.37 1j0f s SER 15 N 6.80 2.57 0.25 2.29 1.04 0.40 -2.46 113.70 124.59 1j0f s SER 15 Ca 0.63 -0.74 0.08 0.00 0.48 0.00 0.00 55.95 56.40 1j0f s SER 15 Cb -0.13 -0.14 -0.04 0.00 0.10 0.00 0.00 66.02 65.81 1j0f s SER 15 CO 0.22 0.03 0.10 0.28 0.98 0.00 0.00 173.24 174.85 1j0f s THR 16 N -1.43 3.98 -0.05 2.02 -1.32 -1.26 -1.85 115.64 115.73 1j0f s THR 16 Ca 0.09 -1.63 0.12 0.00 -1.21 0.00 0.00 61.69 59.06 1j0f s THR 16 Cb -0.09 -3.13 -0.18 0.00 -1.51 0.00 0.00 72.50 67.59 1j0f s THR 16 CO 0.05 -0.35 0.27 -0.24 -2.21 0.00 0.00 174.62 172.14 1j0f n SER 17 N -1.00 2.23 -4.04 8.08 2.88 -1.26 -4.83 113.62 115.68 1j0f n SER 17 Ca -0.07 -0.05 -0.33 0.00 -1.33 0.00 0.00 58.87 57.09 1j0f n SER 17 Cb 0.58 1.50 -0.13 0.00 -0.75 0.00 0.00 64.21 65.41 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 -2.76 2.84 -0.01 2.46 1.01 -1.26 -5.06 120.40 117.61 1j0f s VAL 18 Ca -0.04 -2.63 0.01 0.00 0.00 0.00 0.00 61.98 59.32 1j0f s VAL 18 Cb 0.08 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.48 1j0f s VAL 18 CO 0.48 -0.72 -0.03 0.28 0.00 0.00 0.00 175.10 175.11 1j0f s THR 19 N 0.49 0.27 -0.36 3.92 -1.32 -1.26 -5.02 115.64 112.36 1j0f s THR 19 Ca 0.13 -0.11 0.06 0.00 -1.21 0.00 0.00 61.69 60.56 1j0f s THR 19 Cb -0.22 -0.26 0.47 0.00 -1.51 0.00 0.00 72.50 70.98 1j0f s THR 19 CO -0.04 0.10 1.43 0.61 -2.21 0.00 0.00 174.62 174.50 1j0f n GLY 20 N 3.24 5.84 0.05 6.08 0.00 -1.26 -4.55 105.19 114.60 1j0f n GLY 20 Ca -0.16 -2.14 -0.07 0.00 0.00 0.00 0.00 46.02 43.65 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 -0.89 3.18 0.00 1.61 7.64 -1.26 -5.02 113.62 118.89 1j0f n SER 21 Ca 0.43 -0.05 0.00 0.00 1.01 0.00 0.00 58.87 60.26 1j0f n SER 21 Cb 0.91 -0.13 0.00 0.00 -1.01 0.00 0.00 64.21 63.98 1j0f n SER 21 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 1j0f n ARG 22 N -2.79 0.00 -0.15 1.43 0.63 -1.26 -4.55 116.66 109.97 1j0f n ARG 22 Ca -0.18 0.00 0.21 0.00 -0.92 0.00 0.00 57.85 56.96 1j0f n ARG 22 Cb 0.70 0.00 0.61 0.00 0.45 0.00 0.00 32.46 34.22 1j0f n ARG 22 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 1j0f h GLU 23 N 0.00 0.20 0.44 -0.14 4.81 -1.99 -1.11 114.58 116.80 1j0f h GLU 23 Ca 0.00 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1j0f h GLU 23 Cb 0.00 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.34 1j0f h GLU 23 CO 0.00 0.13 -0.21 0.82 -0.73 0.00 0.00 179.01 179.02 1j0f h ILE 24 N 0.21 0.43 -0.74 2.32 2.04 -1.89 -3.07 117.51 116.81 1j0f h ILE 24 Ca 0.39 -0.50 0.07 0.00 1.00 0.00 0.00 64.86 65.82 1j0f h ILE 24 Cb 1.20 0.62 -0.09 0.00 -0.74 0.00 0.00 36.82 37.81 1j0f h ILE 24 CO -0.08 0.07 -0.44 0.29 0.00 0.00 0.00 178.15 177.99 1j0f n LYS 25 N -5.22 -0.33 -0.35 2.37 5.02 -0.45 0.57 118.16 119.76 1j0f n LYS 25 Ca -0.10 1.35 0.02 0.00 -2.02 0.00 0.00 58.31 57.56 1j0f n LYS 25 Cb 0.30 -1.99 0.08 0.00 -0.02 0.00 0.00 35.03 33.40 1j0f n LYS 25 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1j0f n SER 26 N -4.69 -0.49 -0.15 4.39 7.64 -1.01 0.14 113.62 119.46 1j0f n SER 26 Ca 0.01 1.64 -0.07 0.00 1.01 0.00 0.00 58.87 61.47 1j0f n SER 26 Cb 0.19 -0.43 0.02 0.00 -1.01 0.00 0.00 64.21 62.98 1j0f n SER 26 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1j0f h GLN 27 N 0.00 0.55 0.00 1.43 4.20 0.22 1.49 115.11 123.01 1j0f h GLN 27 Ca 0.39 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 59.04 1j0f h GLN 27 Cb 0.62 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.27 1j0f h GLN 27 CO -0.96 0.37 -0.12 1.96 -0.67 0.00 0.00 178.83 179.41 1j0f h GLN 28 N 0.57 0.00 0.09 1.46 4.20 0.44 0.18 115.11 122.05 1j0f h GLN 28 Ca 0.18 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.65 1j0f h GLN 28 Cb -0.02 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.76 1j0f h GLN 28 CO -0.07 0.12 -1.18 0.77 -0.67 0.00 0.00 178.83 177.80 1j0f h SER 29 N 0.00 0.30 0.68 1.46 0.02 0.21 -3.26 113.55 112.96 1j0f h SER 29 Ca -0.00 -0.83 -0.03 0.00 -0.84 0.00 0.00 61.79 60.08 1j0f h SER 29 Cb 0.24 -0.10 0.01 0.00 0.14 0.00 0.00 62.40 62.69 1j0f h SER 29 CO 0.02 1.51 -0.33 -0.33 -1.14 0.00 0.00 176.83 176.56 1j0f h GLU 30 N -0.48 -0.89 -0.69 3.45 5.08 0.23 0.17 114.58 121.46 1j0f h GLU 30 Ca -0.26 0.06 0.08 0.00 -1.00 0.00 0.00 59.36 58.24 1j0f h GLU 30 Cb 1.61 0.20 -0.10 0.00 0.50 0.00 0.00 28.75 30.95 1j0f h GLU 30 CO 0.02 -0.59 -0.54 0.28 -1.00 0.00 0.00 179.01 177.18 1j0f h VAL 31 N -0.92 0.02 -0.56 3.13 2.07 -0.83 0.44 116.25 119.59 1j0f h VAL 31 Ca -0.09 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.50 1j0f h VAL 31 Cb 0.71 0.02 -0.06 0.00 -1.52 0.00 0.00 31.29 30.44 1j0f h VAL 31 CO 0.15 0.00 0.23 0.71 0.02 0.00 0.00 177.57 178.68 1j0f h THR 32 N -0.20 0.84 -0.61 2.57 1.35 -1.57 0.23 112.91 115.52 1j0f h THR 32 Ca 0.14 -0.15 0.11 0.00 -0.55 0.00 0.00 66.41 65.96 1j0f h THR 32 Cb 0.52 0.38 -0.08 0.00 -1.73 0.00 0.00 68.15 67.24 1j0f h THR 32 CO -0.76 0.08 0.16 -0.09 -0.25 0.00 0.00 175.52 174.66 1j0f h ARG 33 N 0.43 0.30 0.04 4.72 2.43 0.26 1.48 114.38 124.04 1j0f h ARG 33 Ca 0.27 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.42 1j0f h ARG 33 Cb 0.27 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.76 1j0f h ARG 33 CO -0.25 0.20 -0.02 0.82 -1.51 0.00 0.00 179.97 179.21 1j0f h ILE 34 N 0.31 1.19 -0.78 1.20 2.04 0.76 -0.34 117.51 121.89 1j0f h ILE 34 Ca 0.32 -0.75 0.08 0.00 1.00 0.00 0.00 64.86 65.50 1j0f h ILE 34 Cb 0.45 1.69 -0.07 0.00 -0.74 0.00 0.00 36.82 38.15 1j0f h ILE 34 CO -0.38 0.19 0.44 -0.07 0.00 0.00 0.00 178.15 178.34 1j0f h LEU 35 N -0.39 0.64 0.27 1.44 3.38 0.30 0.36 115.31 121.32 1j0f h LEU 35 Ca -0.01 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1j0f h LEU 35 Cb 0.35 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 1j0f h LEU 35 CO 0.01 0.39 -0.14 -0.78 0.09 0.00 0.00 178.44 178.00 1j0f h ASP 36 N 0.77 -0.35 -0.76 -0.43 3.58 0.22 0.36 116.42 119.81 1j0f h ASP 36 Ca 0.36 0.02 0.06 0.00 0.42 0.00 0.00 57.03 57.89 1j0f h ASP 36 Cb 0.28 0.10 -0.06 0.00 1.72 0.00 0.00 39.33 41.38 1j0f h ASP 36 CO -0.22 -0.24 0.45 1.23 -2.88 0.00 0.00 179.24 177.58 1j0f h GLY 37 N -0.39 1.13 2.00 -0.78 0.00 -0.22 0.26 103.07 105.07 1j0f h GLY 37 Ca -0.03 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 46.97 1j0f h GLY 37 CO 0.04 0.22 0.00 0.28 0.00 0.00 0.00 176.54 177.08 1j0f n LYS 38 N -4.70 0.19 -2.74 4.80 4.76 0.12 -4.87 118.16 115.72 1j0f n LYS 38 Ca 0.10 0.37 -0.19 0.00 -2.87 0.00 0.00 58.31 55.71 1j0f n LYS 38 Cb 0.17 -1.82 0.02 0.00 -1.84 0.00 0.00 35.03 31.55 1j0f n LYS 38 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1j0f n ARG 39 N -2.17 -3.44 -2.58 1.97 5.12 0.11 -4.95 116.66 110.73 1j0f n ARG 39 Ca 0.03 0.84 -0.41 0.00 -1.93 0.00 0.00 57.85 56.39 1j0f n ARG 39 Cb 0.26 -5.45 -0.05 0.00 -1.16 0.00 0.00 32.46 26.06 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 -3.05 3.85 -0.38 0.55 1.01 -0.20 -4.98 121.20 118.00 1j0f s ILE 40 Ca 0.18 1.73 -0.28 0.00 0.00 0.00 0.00 60.65 62.28 1j0f s ILE 40 Cb -0.08 -4.10 0.02 0.00 0.01 0.00 0.00 42.46 38.31 1j0f s ILE 40 CO 0.23 0.36 1.06 -1.10 0.00 0.00 0.00 174.94 175.48 1j0f s GLN 41 N -0.85 3.89 0.33 2.79 -0.21 -1.26 -4.79 119.66 119.56 1j0f s GLN 41 Ca 0.46 0.78 -0.02 0.00 0.02 0.00 0.00 55.36 56.59 1j0f s GLN 41 Cb -0.29 -3.81 -0.00 0.00 1.00 0.00 0.00 33.01 29.91 1j0f s GLN 41 CO 0.36 -1.07 0.44 1.52 -2.12 0.00 0.00 175.29 174.42 1j0f s TYR 42 N 3.86 1.10 -0.07 0.91 -0.85 -1.26 -3.65 117.35 117.40 1j0f s TYR 42 Ca 0.44 -1.31 -0.01 0.00 -0.52 0.00 0.00 57.07 55.68 1j0f s TYR 42 Cb -0.10 -0.15 0.03 0.00 0.38 0.00 0.00 41.96 42.11 1j0f s TYR 42 CO 0.21 -1.09 -0.01 -1.14 -1.52 0.00 0.00 175.55 172.01 1j0f s GLN 43 N -3.18 0.71 -0.41 -3.49 0.74 0.22 -4.91 119.66 109.34 1j0f s GLN 43 Ca 0.31 0.04 -0.28 0.00 0.05 0.00 0.00 55.36 55.48 1j0f s GLN 43 Cb 0.00 -0.99 0.00 0.00 1.10 0.00 0.00 33.01 33.12 1j0f s GLN 43 CO 0.20 -0.26 1.53 -1.17 -0.55 0.00 0.00 175.29 175.04 1j0f s LEU 44 N 1.76 3.54 -0.33 3.68 2.96 -1.26 -0.23 118.68 128.80 1j0f s LEU 44 Ca 0.02 0.89 -0.17 0.00 -0.22 0.00 0.00 54.13 54.65 1j0f s LEU 44 Cb -0.13 -3.46 -0.01 0.00 0.50 0.00 0.00 46.19 43.09 1j0f s LEU 44 CO -0.05 -1.56 0.45 -0.69 -1.32 0.00 0.00 176.35 173.18 1j0f s VAL 45 N 6.00 5.08 -0.54 1.68 1.01 0.32 -4.91 120.40 129.05 1j0f s VAL 45 Ca 0.66 0.36 -0.24 0.00 0.00 0.00 0.00 61.98 62.76 1j0f s VAL 45 Cb -0.16 -3.87 0.04 0.00 0.00 0.00 0.00 36.38 32.39 1j0f s VAL 45 CO 0.32 -0.09 0.92 -0.62 0.00 0.00 0.00 175.10 175.63 1j0f s ASP 46 N 1.71 6.35 0.10 3.32 -1.08 -1.25 -0.45 116.67 125.37 1j0f s ASP 46 Ca 0.17 -0.32 -0.14 0.00 -0.52 0.00 0.00 52.55 51.74 1j0f s ASP 46 Cb -0.16 -2.43 -0.12 0.00 -1.46 0.00 0.00 42.92 38.76 1j0f s ASP 46 CO 0.12 -1.18 1.36 0.16 0.52 0.00 0.00 175.17 176.15 1j0f h ILE 47 N 6.02 1.30 -1.03 4.11 3.07 -1.66 -3.02 117.51 126.31 1j0f h ILE 47 Ca -0.26 -1.69 0.25 0.00 1.55 0.00 0.00 64.86 64.71 1j0f h ILE 47 Cb 1.07 1.77 -0.11 0.00 -0.27 0.00 0.00 36.82 39.29 1j0f h ILE 47 CO 1.07 0.54 0.64 -1.28 -1.05 0.00 0.00 178.15 178.07 1j0f h SER 48 N 0.47 0.56 0.14 2.16 0.87 -1.90 -0.16 113.55 115.69 1j0f h SER 48 Ca 0.01 0.11 0.02 0.00 -1.23 0.00 0.00 61.79 60.69 1j0f h SER 48 Cb 1.09 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 63.03 1j0f h SER 48 CO 0.11 0.10 -0.37 1.56 -0.53 0.00 0.00 176.83 177.70 1j0f h GLN 49 N 0.49 -0.59 -4.87 2.24 4.20 -1.90 -3.38 115.11 111.31 1j0f h GLN 49 Ca 0.62 0.04 -0.67 0.00 0.06 0.00 0.00 58.65 58.69 1j0f h GLN 49 Cb 1.36 0.13 -0.33 0.00 0.30 0.00 0.00 27.48 28.95 1j0f h GLN 49 CO -0.38 -0.39 -0.75 0.34 -0.67 0.00 0.00 178.83 176.99 1j0f s ASP 50 N -4.73 4.44 0.39 1.46 2.15 -0.07 -4.97 116.67 115.33 1j0f s ASP 50 Ca -0.16 -1.04 0.15 0.00 0.43 0.00 0.00 52.55 51.93 1j0f s ASP 50 Cb 0.08 -1.65 1.01 0.00 -0.30 0.00 0.00 42.92 42.05 1j0f s ASP 50 CO 0.64 -0.17 1.81 0.78 -0.17 0.00 0.00 175.17 178.06 1j0f h ASN 51 N 7.97 0.51 -0.39 -0.34 2.35 -1.74 0.67 115.58 124.61 1j0f h ASN 51 Ca -0.28 0.07 0.08 0.00 -0.55 0.00 0.00 56.30 55.62 1j0f h ASN 51 Cb 1.09 -0.02 -0.09 0.00 0.05 0.00 0.00 38.32 39.35 1j0f h ASN 51 CO 0.55 0.17 -0.26 0.00 -1.65 0.00 0.00 177.43 176.24 1j0f h ALA 52 N 1.62 -0.05 -0.87 -0.83 0.00 -1.93 -0.78 119.26 116.42 1j0f h ALA 52 Ca 0.53 0.12 0.12 0.00 0.00 0.00 0.00 54.91 55.68 1j0f h ALA 52 Cb 1.22 0.59 -0.13 0.00 0.00 0.00 0.00 17.79 19.46 1j0f h ALA 52 CO -0.26 -0.65 -0.46 -0.07 0.00 0.00 0.00 179.25 177.82 1j0f h LEU 53 N -0.20 -1.66 -0.92 0.00 3.38 -1.11 0.99 115.31 115.80 1j0f h LEU 53 Ca 0.18 0.30 0.31 0.00 0.09 0.00 0.00 57.88 58.76 1j0f h LEU 53 Cb 0.49 0.79 -0.17 0.00 0.09 0.00 0.00 40.66 41.86 1j0f h LEU 53 CO -0.51 -0.29 0.20 -1.14 0.09 0.00 0.00 178.44 176.80 1j0f n ARG 54 N -5.39 -0.07 -0.00 1.13 0.63 -0.31 0.13 116.66 112.79 1j0f n ARG 54 Ca 0.05 1.34 -0.01 0.00 -0.92 0.00 0.00 57.85 58.31 1j0f n ARG 54 Cb 0.35 -2.23 -0.01 0.00 0.45 0.00 0.00 32.46 31.02 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 0.85 -2.49 116.42 121.73 1j0f h ASP 55 Ca 0.65 0.00 0.29 0.00 -0.39 0.00 0.00 57.03 57.58 1j0f h ASP 55 Cb 1.51 0.02 -0.17 0.00 0.68 0.00 0.00 39.33 41.36 1j0f h ASP 55 CO -0.81 0.32 0.13 -0.62 -1.61 0.00 0.00 179.24 176.66 1j0f n GLU 56 N -4.35 -0.07 -0.12 0.28 1.02 0.13 0.18 120.64 117.70 1j0f n GLU 56 Ca -0.01 1.38 -0.12 0.00 -0.02 0.00 0.00 57.16 58.40 1j0f n GLU 56 Cb 0.04 -2.26 -0.02 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 0.73 -1.00 3.49 4.05 0.98 -0.68 114.93 122.49 1j0f h MET 57 Ca 0.62 -0.30 0.06 0.00 -0.28 0.00 0.00 59.70 59.80 1j0f h MET 57 Cb 1.39 -0.03 -0.06 0.00 -0.80 0.00 0.00 31.60 32.09 1j0f h MET 57 CO -0.85 0.90 0.65 0.00 0.23 0.00 0.00 176.91 177.84 1j0f h ARG 58 N 0.52 1.17 0.21 0.39 3.08 0.24 0.22 114.38 120.21 1j0f h ARG 58 Ca 0.09 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1j0f h ARG 58 Cb 0.65 -0.26 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1j0f h ARG 58 CO 0.04 0.77 -0.10 1.15 -1.07 0.00 0.00 179.97 180.76 1j0f h THR 59 N 1.20 0.80 -0.23 2.04 2.02 -0.48 0.28 112.91 118.54 1j0f h THR 59 Ca 0.42 -0.91 0.06 0.00 0.77 0.00 0.00 66.41 66.75 1j0f h THR 59 Cb 0.12 1.27 -0.07 0.00 -1.74 0.00 0.00 68.15 67.73 1j0f h THR 59 CO -0.16 0.18 -0.31 -0.07 0.37 0.00 0.00 175.52 175.53 1j0f h LEU 60 N -0.80 -1.00 -0.54 2.58 3.38 -0.84 -0.29 115.31 117.79 1j0f h LEU 60 Ca -0.03 0.16 0.10 0.00 0.09 0.00 0.00 57.88 58.20 1j0f h LEU 60 Cb 0.51 0.44 -0.08 0.00 0.09 0.00 0.00 40.66 41.63 1j0f h LEU 60 CO 0.05 -0.34 0.06 0.00 0.09 0.00 0.00 178.44 178.30 1j0f h ALA 61 N 0.56 0.57 0.00 1.53 0.00 -0.64 -3.47 119.26 117.82 1j0f h ALA 61 Ca 0.12 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1j0f h ALA 61 Cb 0.53 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1j0f h ALA 61 CO -0.41 -0.35 0.00 0.41 0.00 0.00 0.00 179.25 178.90 1j0f n GLY 62 N -1.31 1.45 3.61 0.00 0.00 -0.12 -5.07 105.19 103.75 1j0f n GLY 62 Ca 0.07 0.00 -0.03 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 -0.63 0.21 1.61 2.47 0.89 -5.02 114.94 112.47 1j0f s ASN 63 Ca 0.00 0.98 0.07 0.00 0.42 0.00 0.00 52.86 54.33 1j0f s ASN 63 Cb 0.00 1.36 0.13 0.00 -1.45 0.00 0.00 41.25 41.28 1j0f s ASN 63 CO 0.00 -0.15 1.47 1.55 -3.72 0.00 0.00 177.10 176.25 1j0f h PRO 64 N 6.53 0.07 -1.86 0.43 0.13 -1.96 -3.22 132.00 132.12 1j0f h PRO 64 Ca -0.26 -0.07 -0.71 0.00 -0.87 0.00 0.00 66.00 64.08 1j0f h PRO 64 Cb 1.18 0.02 -0.26 0.00 0.13 0.00 0.00 31.00 32.07 1j0f h PRO 64 CO 0.17 0.80 0.94 1.63 -0.23 0.00 0.00 178.00 181.32 1j0f n LYS 65 N -3.67 2.68 -2.99 0.86 4.76 -1.26 -4.94 118.16 113.60 1j0f n LYS 65 Ca -0.02 -3.30 -0.19 0.00 -2.87 0.00 0.00 58.31 51.94 1j0f n LYS 65 Cb 0.74 -2.24 0.04 0.00 -1.84 0.00 0.00 35.03 31.72 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 -3.69 4.56 0.15 7.82 0.00 -1.22 -5.14 121.76 124.24 1j0f s ALA 66 Ca 0.54 -1.87 -0.18 0.00 0.00 0.00 0.00 51.96 50.45 1j0f s ALA 66 Cb 0.44 -1.59 0.04 0.00 0.00 0.00 0.00 23.12 22.01 1j0f s ALA 66 CO -0.33 -0.60 0.47 0.95 0.00 0.00 0.00 175.76 176.25 1j0f s THR 67 N -2.53 0.05 0.85 0.00 -4.23 -1.26 -5.02 115.64 103.49 1j0f s THR 67 Ca 0.58 -0.48 -0.12 0.00 -1.18 0.00 0.00 61.69 60.50 1j0f s THR 67 Cb -0.08 -1.20 0.10 0.00 1.34 0.00 0.00 72.50 72.66 1j0f s THR 67 CO 0.36 -0.21 1.12 -2.16 -0.54 0.00 0.00 174.62 173.19 1j0f s PRO 68 N -3.80 1.66 0.76 3.99 0.04 -1.26 -4.67 135.00 131.71 1j0f s PRO 68 Ca 0.04 0.48 -0.13 0.00 0.04 0.00 0.00 61.00 61.43 1j0f s PRO 68 Cb 0.01 -1.88 0.18 0.00 0.04 0.00 0.00 34.50 32.85 1j0f s PRO 68 CO -0.11 -1.88 0.84 -0.35 0.04 0.00 0.00 177.00 175.54 1j0f n PRO 69 N -3.58 -1.68 -3.60 0.56 -0.04 -1.26 -4.85 135.00 120.54 1j0f n PRO 69 Ca 0.07 -1.32 -0.02 0.00 -0.04 0.00 0.00 63.50 62.18 1j0f n PRO 69 Cb 0.58 -1.04 -0.05 0.00 -0.04 0.00 0.00 33.50 32.95 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 -4.87 0.52 -0.09 0.54 2.00 -1.03 -4.27 119.66 112.45 1j0f s GLN 70 Ca 0.51 1.31 -0.15 0.00 -2.00 0.00 0.00 55.36 55.02 1j0f s GLN 70 Cb -0.03 0.70 -0.05 0.00 0.80 0.00 0.00 33.01 34.43 1j0f s GLN 70 CO 0.37 -0.26 0.38 0.42 -0.50 0.00 0.00 175.29 175.70 1j0f s ILE 71 N 2.83 5.19 0.01 -2.34 1.09 -1.13 -0.25 121.20 126.59 1j0f s ILE 71 Ca -0.02 0.75 0.01 0.00 -1.10 0.00 0.00 60.65 60.29 1j0f s ILE 71 Cb -0.12 -3.70 -0.01 0.00 -1.06 0.00 0.00 42.46 37.57 1j0f s ILE 71 CO -0.18 0.45 -0.04 -0.69 -0.10 0.00 0.00 174.94 174.38 1j0f s VAL 72 N -0.10 0.27 -0.31 2.92 1.01 0.18 -2.03 120.40 122.33 1j0f s VAL 72 Ca 0.22 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.81 1j0f s VAL 72 Cb -0.15 -0.28 0.08 0.00 0.00 0.00 0.00 36.38 36.03 1j0f s VAL 72 CO 0.09 -0.09 -0.00 0.21 0.00 0.00 0.00 175.10 175.30 1j0f s ASN 73 N -0.53 4.71 0.00 3.32 3.84 0.48 0.02 114.94 126.79 1j0f s ASN 73 Ca -0.03 -1.74 0.00 0.00 0.21 0.00 0.00 52.86 51.30 1j0f s ASN 73 Cb -0.04 -1.63 0.00 0.00 -0.55 0.00 0.00 41.25 39.03 1j0f s ASN 73 CO -0.00 -0.31 0.00 0.61 -2.79 0.00 0.00 177.10 174.61 1j0f n GLY 74 N 4.40 0.24 0.00 1.21 0.00 -0.27 0.18 105.19 110.96 1j0f n GLY 74 Ca -0.06 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.62 1j0f n GLY 74 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1j0f n ASN 75 N 1.91 0.81 -4.91 1.61 0.23 -1.26 -5.05 115.26 108.60 1j0f n ASN 75 Ca 0.00 -1.35 -0.25 0.00 -0.53 0.00 0.00 54.58 52.45 1j0f n ASN 75 Cb 0.00 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.67 1j0f n ASN 75 CO 0.00 0.00 0.00 -1.00 -0.93 0.00 0.00 177.26 175.33 1j0f s HIS 76 N -0.35 3.37 -0.32 -2.53 3.76 0.49 -5.09 115.29 114.61 1j0f s HIS 76 Ca 0.00 0.04 -0.05 0.00 -0.15 0.00 0.00 55.06 54.90 1j0f s HIS 76 Cb 0.00 -1.59 0.04 0.00 1.11 0.00 0.00 32.58 32.14 1j0f s HIS 76 CO 0.00 0.50 0.07 -0.47 -0.85 0.00 0.00 174.74 173.99 1j0f s TYR 77 N -1.83 3.25 0.00 1.40 5.04 -1.26 -0.38 117.35 123.56 1j0f s TYR 77 Ca 0.33 -1.55 0.00 0.00 -2.44 0.00 0.00 57.07 53.41 1j0f s TYR 77 Cb -0.10 -2.21 0.00 0.00 0.35 0.00 0.00 41.96 39.99 1j0f s TYR 77 CO 0.27 -0.75 0.71 0.00 -1.34 0.00 0.00 175.55 174.44 1j0f n GLY 79 N -0.17 -0.80 0.00 0.00 0.00 -1.21 -4.98 105.19 98.03 1j0f n GLY 79 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 1.76 -0.10 1.61 5.75 -1.26 -2.84 116.55 121.46 1j0f n ASP 80 Ca 0.00 -0.35 -0.10 0.00 -0.01 0.00 0.00 54.79 54.32 1j0f n ASP 80 Cb 0.00 0.00 -0.03 0.00 -1.03 0.00 0.00 41.12 40.06 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 0.31 0.53 0.63 2.11 5.03 -1.92 -1.36 116.97 122.28 1j0f h TYR 81 Ca 0.00 -0.07 -0.03 0.00 2.58 0.00 0.00 58.73 61.21 1j0f h TYR 81 Cb 0.00 -0.15 0.01 0.00 1.55 0.00 0.00 36.73 38.14 1j0f h TYR 81 CO 0.00 0.58 -0.30 0.93 -1.32 0.00 0.00 178.16 178.05 1j0f h GLU 82 N 0.32 -0.81 -1.13 1.82 5.08 -1.96 0.91 114.58 118.81 1j0f h GLU 82 Ca 0.09 0.06 0.33 0.00 -1.00 0.00 0.00 59.36 58.83 1j0f h GLU 82 Cb 0.34 0.18 -0.10 0.00 0.50 0.00 0.00 28.75 29.66 1j0f h GLU 82 CO 0.01 -0.54 0.73 -0.07 -1.00 0.00 0.00 179.01 178.14 1j0f h LEU 83 N -0.86 0.37 0.39 1.33 4.07 -1.96 0.79 115.31 119.43 1j0f h LEU 83 Ca -0.09 0.10 -0.02 0.00 0.08 0.00 0.00 57.88 57.96 1j0f h LEU 83 Cb 0.64 0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.44 1j0f h LEU 83 CO 0.14 -0.01 -0.19 0.15 -1.08 0.00 0.00 178.44 177.45 1j0f h PHE 84 N 0.28 -0.48 -0.75 1.13 3.57 -0.82 -2.89 116.94 116.98 1j0f h PHE 84 Ca 0.67 -0.01 0.15 0.00 3.53 0.00 0.00 57.97 62.31 1j0f h PHE 84 Cb 1.88 0.16 -0.10 0.00 2.79 0.00 0.00 35.95 40.68 1j0f h PHE 84 CO -0.00 -0.30 0.25 -0.24 -2.23 0.00 0.00 178.31 175.79 1j0f h VAL 85 N -1.10 0.59 -0.04 1.41 3.04 0.22 0.72 116.25 121.09 1j0f h VAL 85 Ca -0.05 -0.12 0.01 0.00 -1.01 0.00 0.00 66.70 65.52 1j0f h VAL 85 Cb 0.40 0.19 -0.02 0.00 -2.01 0.00 0.00 31.29 29.84 1j0f h VAL 85 CO 0.09 0.07 -0.20 -0.33 -1.01 0.00 0.00 177.57 176.18 1j0f h GLU 86 N 0.36 -0.21 -0.28 4.17 5.08 0.46 0.21 114.58 124.37 1j0f h GLU 86 Ca 0.42 0.01 0.07 0.00 -1.00 0.00 0.00 59.36 58.86 1j0f h GLU 86 Cb 0.68 0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.91 1j0f h GLU 86 CO -0.45 -0.14 -0.27 0.00 -1.00 0.00 0.00 179.01 177.14 1j0f h ALA 87 N -1.03 -0.16 -0.89 3.43 0.00 -1.17 -0.03 119.26 119.41 1j0f h ALA 87 Ca 0.01 0.08 0.17 0.00 0.00 0.00 0.00 54.91 55.17 1j0f h ALA 87 Cb 0.25 0.57 -0.16 0.00 0.00 0.00 0.00 17.79 18.45 1j0f h ALA 87 CO -0.16 -0.69 -0.28 0.28 0.00 0.00 0.00 179.25 178.40 1j0f h VAL 88 N -0.26 0.08 0.75 0.00 2.07 -0.30 1.45 116.25 120.04 1j0f h VAL 88 Ca 0.15 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.64 1j0f h VAL 88 Cb 0.49 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1j0f h VAL 88 CO -0.43 0.00 -0.50 -0.33 0.02 0.00 0.00 177.57 176.33 1j0f h GLU 89 N -0.02 -1.13 0.00 1.57 5.08 0.12 -0.97 114.58 119.22 1j0f h GLU 89 Ca 0.39 0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.83 1j0f h GLU 89 Cb 0.63 0.26 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1j0f h GLU 89 CO -0.92 -0.75 0.12 1.96 -1.00 0.00 0.00 179.01 178.42 1j0f h GLN 90 N -1.17 0.00 0.00 2.33 1.08 0.47 -3.44 115.11 114.37 1j0f h GLN 90 Ca -0.10 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 1j0f h GLN 90 Cb 0.95 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.38 1j0f h GLN 90 CO 0.08 0.00 0.00 -3.47 -0.95 0.00 0.00 178.83 174.49 1j0f n ASP 91 N -2.74 -2.20 -1.42 1.46 2.03 0.47 -4.93 116.55 109.23 1j0f n ASP 91 Ca -0.02 0.00 -0.07 0.00 0.52 0.00 0.00 54.79 55.22 1j0f n ASP 91 Cb 0.17 -0.49 0.21 0.00 -0.72 0.00 0.00 41.12 40.29 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 -3.33 2.69 0.32 5.18 -2.24 0.10 -4.58 114.28 112.43 1j0f n THR 92 Ca 0.00 -2.40 0.20 0.00 -2.27 0.00 0.00 64.05 59.58 1j0f n THR 92 Cb 0.18 -0.35 1.09 0.00 -2.10 0.00 0.00 70.33 69.16 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 1.20 0.00 -0.31 3.22 5.85 -1.85 0.77 115.31 124.18 1j0f h LEU 93 Ca 0.29 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.82 1j0f h LEU 93 Cb 1.95 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.97 1j0f h LEU 93 CO 0.55 0.01 -0.85 1.56 -0.34 0.00 0.00 178.44 179.37 1j0f h GLN 94 N 0.00 0.27 0.01 1.25 4.20 -1.90 -2.78 115.11 116.16 1j0f h GLN 94 Ca -0.00 -0.27 -0.05 0.00 0.06 0.00 0.00 58.65 58.39 1j0f h GLN 94 Cb 0.05 0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.91 1j0f h GLN 94 CO 0.00 0.97 -0.19 1.49 -0.67 0.00 0.00 178.83 180.43 1j0f h GLU 95 N 0.16 0.12 -0.35 1.46 4.57 -1.21 -0.64 114.58 118.70 1j0f h GLU 95 Ca -0.05 -0.14 0.08 0.00 -1.18 0.00 0.00 59.36 58.07 1j0f h GLU 95 Cb 1.46 0.04 -0.08 0.00 -0.16 0.00 0.00 28.75 30.01 1j0f h GLU 95 CO 0.13 0.92 -0.16 0.35 -1.18 0.00 0.00 179.01 179.07 1j0f h PHE 96 N -0.62 -0.41 -4.31 0.92 3.57 -1.29 -3.42 116.94 111.38 1j0f h PHE 96 Ca -0.03 0.04 -0.46 0.00 3.53 0.00 0.00 57.97 61.05 1j0f h PHE 96 Cb 0.99 0.23 0.13 0.00 2.79 0.00 0.00 35.95 40.10 1j0f h PHE 96 CO 0.20 -0.24 0.39 -0.51 -2.23 0.00 0.00 178.31 175.92 1j0f s LEU 97 N -10.59 2.43 -0.46 0.59 1.43 -1.05 -4.80 118.68 106.23 1j0f s LEU 97 Ca -0.14 0.62 -0.05 0.00 -1.03 0.00 0.00 54.13 53.52 1j0f s LEU 97 Cb 0.14 -2.89 -0.07 0.00 0.03 0.00 0.00 46.19 43.39 1j0f s LEU 97 CO 0.70 -2.39 3.08 1.17 0.23 0.00 0.00 176.35 179.14 1j0f n LYS 98 N -3.60 2.57 -0.10 1.70 3.00 -1.26 -4.04 118.16 116.42 1j0f n LYS 98 Ca 0.11 -1.93 -0.20 0.00 -0.00 0.00 0.00 58.31 56.29 1j0f n LYS 98 Cb 0.60 -2.19 -0.07 0.00 0.00 0.00 0.00 35.03 33.37 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 1.80 1.70 0.00 3.14 4.77 -1.21 -5.06 117.00 122.13 1j0f n LEU 99 Ca 0.50 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.66 1j0f n LEU 99 Cb 0.64 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1j0f n LEU 99 CO 0.33 0.49 0.00 0.00 -1.33 0.00 0.00 177.39 176.88