#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 0.92 -4.77 1.61 2.88 -1.26 -5.05 113.62 107.95 1j0f n SER 2 Ca 0.00 0.19 -0.41 0.00 -1.33 0.00 0.00 58.87 57.32 1j0f n SER 2 Cb 0.00 -0.23 -0.02 0.00 -0.75 0.00 0.00 64.21 63.21 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 -1.98 4.31 0.00 -1.46 8.01 -1.26 -5.02 118.70 121.30 1j0f s GLU 3 Ca 0.00 2.26 0.00 0.00 0.01 0.00 0.00 54.97 57.24 1j0f s GLU 3 Cb 0.00 -3.05 0.00 0.00 -4.31 0.00 0.00 34.13 26.77 1j0f s GLU 3 CO 0.00 -0.24 0.00 0.41 0.01 0.00 0.00 175.26 175.44 1j0f n GLY 4 N 0.75 4.12 0.44 -1.39 0.00 -1.26 -5.11 105.19 102.73 1j0f n GLY 4 Ca 0.00 -1.91 -0.01 0.00 0.00 0.00 0.00 46.02 44.10 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 1.40 -3.00 4.61 0.00 -1.26 -5.07 120.51 114.18 1j0f n ALA 5 Ca 0.00 -0.23 -0.08 0.00 0.00 0.00 0.00 53.44 53.13 1j0f n ALA 5 Cb 0.00 0.03 0.01 0.00 0.00 0.00 0.00 19.45 19.49 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 -2.91 -2.78 -3.72 0.00 0.00 -1.26 -4.97 120.51 104.87 1j0f n ALA 6 Ca -0.02 0.64 -0.37 0.00 0.00 0.00 0.00 53.44 53.69 1j0f n ALA 6 Cb 0.08 -2.74 -0.11 0.00 0.00 0.00 0.00 19.45 16.68 1j0f n ALA 6 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1j0f s THR 7 N -2.70 3.54 -0.24 0.00 -4.23 -1.26 -5.02 115.64 105.73 1j0f s THR 7 Ca 0.16 -2.15 -0.03 0.00 -1.18 0.00 0.00 61.69 58.48 1j0f s THR 7 Cb -0.04 -3.39 0.11 0.00 1.34 0.00 0.00 72.50 70.52 1j0f s THR 7 CO 0.77 -0.74 0.26 -0.32 -0.54 0.00 0.00 174.62 174.05 1j0f s MET 8 N 0.98 0.25 -0.08 3.99 1.75 -1.26 -5.13 119.30 119.80 1j0f s MET 8 Ca 0.09 0.10 -0.08 0.00 -1.25 0.00 0.00 55.69 54.56 1j0f s MET 8 Cb -0.23 -0.96 0.02 0.00 2.84 0.00 0.00 34.83 36.50 1j0f s MET 8 CO -0.04 -0.79 0.22 -1.54 -0.65 0.00 0.00 175.02 172.23 1j0f s SER 9 N 2.35 -0.23 -1.14 1.11 1.04 -1.26 -5.08 113.70 110.49 1j0f s SER 9 Ca 0.08 0.43 -0.08 0.00 0.48 0.00 0.00 55.95 56.87 1j0f s SER 9 Cb -0.15 0.45 0.26 0.00 0.10 0.00 0.00 66.02 66.68 1j0f s SER 9 CO -0.20 -0.09 1.42 0.61 0.98 0.00 0.00 173.24 175.96 1j0f n GLY 10 N 2.91 4.54 3.71 7.32 0.00 -1.26 -4.93 105.19 117.47 1j0f n GLY 10 Ca -0.13 -2.46 -0.42 0.00 0.00 0.00 0.00 46.02 43.01 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 -1.26 4.37 -0.05 0.99 1.98 -1.26 -0.29 118.68 123.16 1j0f s LEU 11 Ca 0.34 2.02 0.02 0.00 -2.89 0.00 0.00 54.13 53.62 1j0f s LEU 11 Cb -0.00 -3.58 0.01 0.00 0.66 0.00 0.00 46.19 43.28 1j0f s LEU 11 CO 0.01 -0.46 -0.10 -0.13 -1.89 0.00 0.00 176.35 173.78 1j0f s ARG 12 N 1.01 1.29 -0.39 1.98 0.52 0.83 0.17 118.95 124.36 1j0f s ARG 12 Ca 0.58 -0.33 0.01 0.00 -0.52 0.00 0.00 55.73 55.47 1j0f s ARG 12 Cb -0.29 -1.14 0.11 0.00 0.52 0.00 0.00 34.95 34.15 1j0f s ARG 12 CO 0.29 0.05 0.15 0.08 0.02 0.00 0.00 175.30 175.89 1j0f s VAL 13 N 0.52 2.80 -0.63 3.52 1.01 0.96 -0.34 120.40 128.25 1j0f s VAL 13 Ca -0.10 -2.31 -0.27 0.00 0.00 0.00 0.00 61.98 59.31 1j0f s VAL 13 Cb -0.13 -2.98 0.00 0.00 0.00 0.00 0.00 36.38 33.27 1j0f s VAL 13 CO 0.02 -0.66 1.61 -0.31 0.00 0.00 0.00 175.10 175.75 1j0f s TYR 14 N 0.89 1.96 0.01 5.22 1.51 -0.18 -0.15 117.35 126.61 1j0f s TYR 14 Ca 0.10 0.48 0.06 0.00 -1.01 0.00 0.00 57.07 56.71 1j0f s TYR 14 Cb -0.21 -4.30 -0.02 0.00 -0.11 0.00 0.00 41.96 37.32 1j0f s TYR 14 CO -0.06 -2.21 -0.19 -1.12 -1.11 0.00 0.00 175.55 170.86 1j0f s SER 15 N 6.08 2.30 -0.12 2.29 0.01 0.71 -2.46 113.70 122.51 1j0f s SER 15 Ca 0.56 -0.42 -0.05 0.00 1.31 0.00 0.00 55.95 57.35 1j0f s SER 15 Cb -0.11 -0.23 -0.04 0.00 0.21 0.00 0.00 66.02 65.85 1j0f s SER 15 CO 0.20 0.20 0.08 0.28 0.41 0.00 0.00 173.24 174.41 1j0f s THR 16 N -0.60 5.02 -0.08 1.44 -1.32 -1.26 -3.01 115.64 115.82 1j0f s THR 16 Ca 0.07 0.03 0.06 0.00 -1.21 0.00 0.00 61.69 60.63 1j0f s THR 16 Cb -0.08 -3.18 -0.24 0.00 -1.51 0.00 0.00 72.50 67.49 1j0f s THR 16 CO 0.00 0.59 0.50 -0.24 -2.21 0.00 0.00 174.62 173.27 1j0f n SER 17 N 2.28 1.31 -4.40 8.08 2.88 -1.26 -4.61 113.62 117.90 1j0f n SER 17 Ca -0.19 0.31 -0.45 0.00 -1.33 0.00 0.00 58.87 57.21 1j0f n SER 17 Cb 0.54 -0.31 -0.02 0.00 -0.75 0.00 0.00 64.21 63.67 1j0f n SER 17 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1j0f s VAL 18 N -2.58 5.19 -0.04 2.46 -7.23 -1.26 -4.97 120.40 111.97 1j0f s VAL 18 Ca -0.12 -2.12 -0.03 0.00 -1.81 0.00 0.00 61.98 57.90 1j0f s VAL 18 Cb 0.07 -4.65 0.02 0.00 0.56 0.00 0.00 36.38 32.39 1j0f s VAL 18 CO 0.80 -1.30 0.10 0.28 -0.31 0.00 0.00 175.10 174.68 1j0f s THR 19 N 1.34 -0.02 -0.26 5.32 -1.32 -1.26 -4.97 115.64 114.46 1j0f s THR 19 Ca 0.27 0.08 0.12 0.00 -1.21 0.00 0.00 61.69 60.96 1j0f s THR 19 Cb -0.07 -0.17 0.63 0.00 -1.51 0.00 0.00 72.50 71.39 1j0f s THR 19 CO -0.09 0.03 1.61 0.61 -2.21 0.00 0.00 174.62 174.58 1j0f n GLY 20 N 3.54 3.99 0.05 6.08 0.00 -1.26 -4.29 105.19 113.30 1j0f n GLY 20 Ca -0.19 -1.05 0.08 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.42 0.28 0.00 1.61 7.64 -1.26 -4.97 113.62 116.50 1j0f n SER 21 Ca 0.32 0.11 0.00 0.00 1.01 0.00 0.00 58.87 60.31 1j0f n SER 21 Cb 1.14 1.38 0.00 0.00 -1.01 0.00 0.00 64.21 65.72 1j0f n SER 21 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1j0f n ARG 22 N -2.46 0.00 -0.29 1.43 1.74 -1.26 -4.10 116.66 111.72 1j0f n ARG 22 Ca -0.06 0.00 0.16 0.00 -0.77 0.00 0.00 57.85 57.18 1j0f n ARG 22 Cb 0.64 0.00 0.31 0.00 -1.02 0.00 0.00 32.46 32.40 1j0f n ARG 22 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1j0f n GLU 23 N 0.00 -0.06 0.14 5.56 1.02 -1.26 0.14 120.64 126.18 1j0f n GLU 23 Ca 0.00 1.27 -0.14 0.00 -0.02 0.00 0.00 57.16 58.27 1j0f n GLU 23 Cb 0.00 -2.08 -0.06 0.00 -0.02 0.00 0.00 31.44 29.28 1j0f n GLU 23 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 1j0f h ILE 24 N 0.00 0.30 -0.92 -3.67 2.04 -1.90 -2.41 117.51 110.96 1j0f h ILE 24 Ca 0.57 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.52 1j0f h ILE 24 Cb 1.28 0.30 -0.12 0.00 -0.74 0.00 0.00 36.82 37.54 1j0f h ILE 24 CO -0.78 0.00 -0.58 0.11 0.00 0.00 0.00 178.15 176.90 1j0f h LYS 25 N -0.60 -0.05 -0.83 2.37 1.57 0.89 0.30 116.57 120.22 1j0f h LYS 25 Ca 0.02 0.00 0.11 0.00 -1.87 0.00 0.00 60.65 58.91 1j0f h LYS 25 Cb 0.60 0.01 -0.13 0.00 0.08 0.00 0.00 32.23 32.79 1j0f h LYS 25 CO -0.16 -0.04 -0.45 0.77 -0.57 0.00 0.00 179.45 179.00 1j0f h SER 26 N -0.06 -1.62 -1.00 0.86 0.02 -1.04 1.24 113.55 111.96 1j0f h SER 26 Ca 0.15 0.29 0.20 0.00 -0.84 0.00 0.00 61.79 61.59 1j0f h SER 26 Cb 0.44 0.77 -0.10 0.00 0.14 0.00 0.00 62.40 63.65 1j0f h SER 26 CO -0.89 -0.29 0.61 1.56 -1.14 0.00 0.00 176.83 176.68 1j0f h GLN 27 N -0.09 0.67 -0.12 3.45 4.20 -0.02 1.50 115.11 124.69 1j0f h GLN 27 Ca 0.24 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.87 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 -0.86 0.44 -0.09 1.96 -0.67 0.00 0.00 178.83 179.61 1j0f h GLN 28 N 0.69 0.27 -0.52 1.46 4.20 0.30 -1.29 115.11 120.22 1j0f h GLN 28 Ca 0.57 -0.13 -0.06 0.00 0.06 0.00 0.00 58.65 59.09 1j0f h GLN 28 Cb 0.99 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.75 1j0f h GLN 28 CO -0.36 0.65 0.09 0.77 -0.67 0.00 0.00 178.83 179.32 1j0f h SER 29 N -0.11 0.81 0.38 1.46 0.02 0.20 -2.24 113.55 114.07 1j0f h SER 29 Ca 0.02 -0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 60.70 1j0f h SER 29 Cb 0.59 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.92 1j0f h SER 29 CO 0.02 0.86 -0.23 -0.33 -1.14 0.00 0.00 176.83 176.02 1j0f h GLU 30 N 0.73 -0.54 -0.88 3.45 4.39 0.20 0.38 114.58 122.31 1j0f h GLU 30 Ca 0.16 0.04 0.11 0.00 0.34 0.00 0.00 59.36 60.01 1j0f h GLU 30 Cb 0.39 0.12 -0.13 0.00 -0.10 0.00 0.00 28.75 29.03 1j0f h GLU 30 CO 0.01 -0.36 -0.48 0.28 -1.16 0.00 0.00 179.01 177.30 1j0f h VAL 31 N -0.56 0.02 -0.79 3.13 2.07 -1.27 1.53 116.25 120.38 1j0f h VAL 31 Ca -0.05 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.58 1j0f h VAL 31 Cb 0.45 0.02 -0.05 0.00 -1.52 0.00 0.00 31.29 30.18 1j0f h VAL 31 CO 0.06 0.00 0.52 0.71 0.02 0.00 0.00 177.57 178.87 1j0f h THR 32 N -0.07 0.91 0.61 2.57 1.35 -1.30 0.14 112.91 117.13 1j0f h THR 32 Ca 0.23 -0.23 -0.03 0.00 -0.55 0.00 0.00 66.41 65.83 1j0f h THR 32 Cb 0.52 0.19 0.01 0.00 -1.73 0.00 0.00 68.15 67.13 1j0f h THR 32 CO -0.89 0.12 -0.29 -0.09 -0.25 0.00 0.00 175.52 174.12 1j0f h ARG 33 N 0.67 -0.79 -0.32 4.72 2.43 0.64 0.29 114.38 122.02 1j0f h ARG 33 Ca 0.37 0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.63 1j0f h ARG 33 Cb 0.53 0.18 -0.03 0.00 -0.42 0.00 0.00 29.97 30.23 1j0f h ARG 33 CO -0.14 -0.50 0.11 0.82 -1.51 0.00 0.00 179.97 178.75 1j0f h ILE 34 N -0.88 0.92 -0.61 1.20 2.04 -0.03 0.78 117.51 120.92 1j0f h ILE 34 Ca -0.08 -0.09 0.09 0.00 1.00 0.00 0.00 64.86 65.77 1j0f h ILE 34 Cb 0.65 0.64 -0.07 0.00 -0.74 0.00 0.00 36.82 37.30 1j0f h ILE 34 CO 0.14 0.05 0.26 -0.07 0.00 0.00 0.00 178.15 178.52 1j0f h LEU 35 N 0.26 0.29 0.20 1.44 3.38 -0.62 0.96 115.31 121.21 1j0f h LEU 35 Ca 0.14 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.18 1j0f h LEU 35 Cb 0.11 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1j0f h LEU 35 CO -0.14 0.18 -0.15 -0.78 0.09 0.00 0.00 178.44 177.64 1j0f h ASP 36 N 0.46 -0.38 -0.78 -0.43 3.58 0.57 0.17 116.42 119.61 1j0f h ASP 36 Ca 0.30 0.03 -0.00 0.00 0.42 0.00 0.00 57.03 57.78 1j0f h ASP 36 Cb 0.34 0.12 -0.04 0.00 1.72 0.00 0.00 39.33 41.47 1j0f h ASP 36 CO -0.27 -0.23 0.49 1.23 -2.88 0.00 0.00 179.24 177.57 1j0f h GLY 37 N -0.35 1.13 1.32 -0.78 0.00 0.04 0.18 103.07 104.60 1j0f h GLY 37 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 47.33 46.87 1j0f h GLY 37 CO -0.01 0.44 0.00 0.28 0.00 0.00 0.00 176.54 177.26 1j0f n LYS 38 N -4.39 0.52 -3.15 4.80 5.02 0.32 -4.85 118.16 116.42 1j0f n LYS 38 Ca 0.08 0.04 -0.23 0.00 -2.02 0.00 0.00 58.31 56.19 1j0f n LYS 38 Cb 0.06 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.58 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 -1.16 -4.24 -3.12 1.97 5.12 0.61 -4.93 116.66 110.90 1j0f n ARG 39 Ca 0.14 0.72 -0.39 0.00 -1.93 0.00 0.00 57.85 56.39 1j0f n ARG 39 Cb 0.14 -5.52 -0.06 0.00 -1.16 0.00 0.00 32.46 25.86 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 -3.07 4.66 -0.19 0.55 1.01 0.36 -5.02 121.20 119.49 1j0f s ILE 40 Ca 0.34 1.44 -0.16 0.00 0.00 0.00 0.00 60.65 62.27 1j0f s ILE 40 Cb -0.16 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.25 1j0f s ILE 40 CO 0.42 0.49 0.39 -1.58 0.00 0.00 0.00 174.94 174.66 1j0f s GLN 41 N -0.78 4.19 0.16 2.79 0.74 -1.26 -4.67 119.66 120.84 1j0f s GLN 41 Ca 0.33 0.21 -0.01 0.00 0.05 0.00 0.00 55.36 55.93 1j0f s GLN 41 Cb -0.21 -3.52 0.00 0.00 1.10 0.00 0.00 33.01 30.38 1j0f s GLN 41 CO 0.21 -0.01 0.23 2.48 -0.55 0.00 0.00 175.29 177.65 1j0f n TYR 42 N 4.38 -0.92 -3.80 1.67 0.18 -1.26 -4.37 117.16 113.03 1j0f n TYR 42 Ca -0.08 -1.08 -0.26 0.00 1.88 0.00 0.00 57.90 58.35 1j0f n TYR 42 Cb 0.51 0.26 -0.17 0.00 -0.38 0.00 0.00 39.34 39.56 1j0f n TYR 42 CO 0.00 0.00 0.00 -1.14 -2.08 0.00 0.00 176.86 173.64 1j0f s GLN 43 N -2.36 0.91 -0.26 -3.48 0.74 0.45 -4.94 119.66 110.73 1j0f s GLN 43 Ca 0.13 -0.28 -0.29 0.00 0.05 0.00 0.00 55.36 54.97 1j0f s GLN 43 Cb -0.01 -1.71 -0.01 0.00 1.10 0.00 0.00 33.01 32.38 1j0f s GLN 43 CO 0.09 -0.46 1.43 -1.17 -0.55 0.00 0.00 175.29 174.64 1j0f s LEU 44 N 1.82 3.90 -0.31 3.68 0.20 -1.26 -0.03 118.68 126.68 1j0f s LEU 44 Ca 0.02 1.40 -0.15 0.00 0.69 0.00 0.00 54.13 56.08 1j0f s LEU 44 Cb -0.15 -3.54 -0.02 0.00 -0.43 0.00 0.00 46.19 42.05 1j0f s LEU 44 CO -0.07 -1.14 0.38 -0.69 -0.29 0.00 0.00 176.35 174.54 1j0f s VAL 45 N 4.68 5.15 -0.41 1.68 1.01 0.79 -4.88 120.40 128.42 1j0f s VAL 45 Ca 0.63 0.34 -0.22 0.00 0.00 0.00 0.00 61.98 62.72 1j0f s VAL 45 Cb -0.20 -3.78 0.02 0.00 0.00 0.00 0.00 36.38 32.42 1j0f s VAL 45 CO 0.25 0.02 0.73 -0.62 0.00 0.00 0.00 175.10 175.48 1j0f s ASP 46 N 1.69 6.43 0.22 3.32 -1.08 -1.26 -0.20 116.67 125.79 1j0f s ASP 46 Ca 0.14 0.01 0.23 0.00 -0.52 0.00 0.00 52.55 52.42 1j0f s ASP 46 Cb -0.16 -2.37 0.21 0.00 -1.46 0.00 0.00 42.92 39.15 1j0f s ASP 46 CO 0.11 -0.79 1.27 0.16 0.52 0.00 0.00 175.17 176.44 1j0f h ILE 47 N 5.85 0.00 0.00 4.11 3.07 -1.84 -3.24 117.51 125.47 1j0f h ILE 47 Ca -0.25 -0.80 0.00 0.00 1.55 0.00 0.00 64.86 65.36 1j0f h ILE 47 Cb 1.09 1.44 0.00 0.00 -0.27 0.00 0.00 36.82 39.09 1j0f h ILE 47 CO 0.91 0.00 0.00 -1.54 -1.05 0.00 0.00 178.15 176.47 1j0f n SER 48 N -2.54 0.00 -0.06 2.16 3.41 -1.26 -2.53 113.62 112.80 1j0f n SER 48 Ca 0.02 0.33 -0.13 0.00 -0.26 0.00 0.00 58.87 58.83 1j0f n SER 48 Cb 0.50 -0.41 -0.12 0.00 -0.26 0.00 0.00 64.21 63.93 1j0f n SER 48 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 1j0f h GLN 49 N 0.00 -0.01 -5.21 4.33 1.08 -1.95 -3.47 115.11 109.88 1j0f h GLN 49 Ca 0.00 0.00 -0.37 0.00 -1.45 0.00 0.00 58.65 56.83 1j0f h GLN 49 Cb 0.17 0.00 -0.16 0.00 -0.05 0.00 0.00 27.48 27.44 1j0f h GLN 49 CO 0.00 0.85 -0.73 0.34 -0.95 0.00 0.00 178.83 178.34 1j0f s ASP 50 N -6.08 1.88 0.04 1.46 -1.08 -1.05 -5.05 116.67 106.79 1j0f s ASP 50 Ca -0.18 -0.92 -0.15 0.00 -0.52 0.00 0.00 52.55 50.79 1j0f s ASP 50 Cb -0.02 -0.04 -0.32 0.00 -1.46 0.00 0.00 42.92 41.08 1j0f s ASP 50 CO 0.65 -0.24 1.06 0.78 0.52 0.00 0.00 175.17 177.94 1j0f h ASN 51 N 3.12 0.88 -0.35 -0.34 2.35 -1.92 -3.14 115.58 116.18 1j0f h ASN 51 Ca -0.38 -0.86 0.10 0.00 -0.55 0.00 0.00 56.30 54.61 1j0f h ASN 51 Cb 1.20 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 39.27 1j0f h ASN 51 CO 0.57 1.66 0.41 0.00 -1.65 0.00 0.00 177.43 178.43 1j0f h ALA 52 N 0.23 2.02 -0.49 -0.83 0.00 -1.97 -2.34 119.26 115.88 1j0f h ALA 52 Ca -0.22 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1j0f h ALA 52 Cb 2.02 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.84 1j0f h ALA 52 CO 0.26 -0.59 0.00 1.28 0.00 0.00 0.00 179.25 180.19 1j0f n LEU 53 N -3.65 0.05 -0.34 0.00 7.99 -1.18 -0.20 117.00 119.67 1j0f n LEU 53 Ca 0.06 0.87 -0.06 0.00 -0.01 0.00 0.00 56.01 56.86 1j0f n LEU 53 Cb 0.57 -0.42 -0.04 0.00 -0.11 0.00 0.00 43.42 43.42 1j0f n LEU 53 CO 0.26 -0.42 0.43 -1.14 -1.51 0.00 0.00 177.39 175.02 1j0f n ARG 54 N -1.76 -0.31 0.04 3.23 0.63 -0.90 0.67 116.66 118.27 1j0f n ARG 54 Ca 0.00 1.27 -0.11 0.00 -0.92 0.00 0.00 57.85 58.09 1j0f n ARG 54 Cb 0.00 -1.88 -0.05 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 -0.98 -0.80 6.15 3.58 -1.53 0.20 116.42 123.03 1j0f h ASP 55 Ca 0.19 0.13 0.15 0.00 0.42 0.00 0.00 57.03 57.92 1j0f h ASP 55 Cb 0.40 0.40 -0.15 0.00 1.72 0.00 0.00 39.33 41.71 1j0f h ASP 55 CO -0.80 -0.38 -0.29 -0.33 -2.88 0.00 0.00 179.24 174.56 1j0f h GLU 56 N -0.45 -0.05 -0.59 0.28 4.39 0.36 0.49 114.58 119.01 1j0f h GLU 56 Ca 0.07 0.00 0.02 0.00 0.34 0.00 0.00 59.36 59.80 1j0f h GLU 56 Cb 0.56 0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.18 1j0f h GLU 56 CO -0.30 -0.03 0.37 1.98 -1.16 0.00 0.00 179.01 179.86 1j0f h MET 57 N -0.05 0.70 -0.63 2.33 4.05 0.10 0.90 114.93 122.34 1j0f h MET 57 Ca 0.34 -0.04 0.04 0.00 -0.28 0.00 0.00 59.70 59.76 1j0f h MET 57 Cb 0.59 -0.16 -0.05 0.00 -0.80 0.00 0.00 31.60 31.18 1j0f h MET 57 CO -0.84 0.47 0.36 0.00 0.23 0.00 0.00 176.91 177.13 1j0f h ARG 58 N 0.73 0.67 0.03 0.39 3.08 0.18 0.14 114.38 119.60 1j0f h ARG 58 Ca 0.23 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.24 1j0f h ARG 58 Cb 0.00 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.90 1j0f h ARG 58 CO -0.09 0.44 -0.01 1.15 -1.07 0.00 0.00 179.97 180.39 1j0f h THR 59 N 0.69 1.15 -0.00 2.04 2.02 0.08 0.30 112.91 119.19 1j0f h THR 59 Ca 0.27 -0.56 0.03 0.00 0.77 0.00 0.00 66.41 66.92 1j0f h THR 59 Cb 0.11 1.53 -0.05 0.00 -1.74 0.00 0.00 68.15 67.99 1j0f h THR 59 CO -0.14 0.14 -0.33 -0.07 0.37 0.00 0.00 175.52 175.49 1j0f h LEU 60 N -0.28 -0.99 -0.14 2.58 3.38 -0.46 -2.02 115.31 117.39 1j0f h LEU 60 Ca -0.00 0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.13 1j0f h LEU 60 Cb 0.26 0.40 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 1j0f h LEU 60 CO 0.01 -0.39 -0.10 0.00 0.09 0.00 0.00 178.44 178.05 1j0f h ALA 61 N 0.23 0.02 0.00 1.53 0.00 -0.68 -3.47 119.26 116.89 1j0f h ALA 61 Ca 0.06 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1j0f h ALA 61 Cb 0.57 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1j0f h ALA 61 CO -0.27 -0.54 0.00 0.41 0.00 0.00 0.00 179.25 178.84 1j0f n GLY 62 N -1.24 1.15 3.62 0.00 0.00 0.63 -5.06 105.19 104.29 1j0f n GLY 62 Ca -0.03 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.78 0.21 1.61 2.47 0.72 -5.02 114.94 112.16 1j0f s ASN 63 Ca 0.00 1.20 0.07 0.00 0.42 0.00 0.00 52.86 54.55 1j0f s ASN 63 Cb 0.00 1.46 0.13 0.00 -1.45 0.00 0.00 41.25 41.39 1j0f s ASN 63 CO 0.00 -0.18 1.47 1.55 -3.72 0.00 0.00 177.10 176.22 1j0f h PRO 64 N 6.82 0.07 -1.41 0.43 0.13 -1.96 -3.15 132.00 132.92 1j0f h PRO 64 Ca -0.27 -0.06 -0.49 0.00 -0.87 0.00 0.00 66.00 64.31 1j0f h PRO 64 Cb 1.19 0.02 -0.20 0.00 0.13 0.00 0.00 31.00 32.13 1j0f h PRO 64 CO 0.16 0.80 0.62 1.63 -0.23 0.00 0.00 178.00 180.98 1j0f n LYS 65 N -3.67 2.23 -3.29 0.86 4.76 -1.26 -4.93 118.16 112.86 1j0f n LYS 65 Ca -0.02 -2.37 -0.21 0.00 -2.87 0.00 0.00 58.31 52.85 1j0f n LYS 65 Cb 0.74 -1.95 0.00 0.00 -1.84 0.00 0.00 35.03 31.98 1j0f n LYS 65 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1j0f s ALA 66 N -2.66 4.02 0.12 7.82 0.00 -1.19 -5.13 121.76 124.75 1j0f s ALA 66 Ca 0.47 -1.28 -0.12 0.00 0.00 0.00 0.00 51.96 51.03 1j0f s ALA 66 Cb 0.36 -1.88 0.01 0.00 0.00 0.00 0.00 23.12 21.62 1j0f s ALA 66 CO -0.05 -0.17 0.30 0.95 0.00 0.00 0.00 175.76 176.79 1j0f s THR 67 N -2.33 0.10 0.84 0.00 -4.23 -1.26 -4.95 115.64 103.82 1j0f s THR 67 Ca 0.46 -0.98 -0.12 0.00 -1.18 0.00 0.00 61.69 59.88 1j0f s THR 67 Cb -0.10 -1.37 0.10 0.00 1.34 0.00 0.00 72.50 72.47 1j0f s THR 67 CO 0.34 -0.45 1.11 -2.16 -0.54 0.00 0.00 174.62 172.92 1j0f s PRO 68 N -3.86 1.71 1.05 3.99 0.04 -1.26 -4.66 135.00 132.01 1j0f s PRO 68 Ca 0.06 0.50 -0.18 0.00 0.04 0.00 0.00 61.00 61.43 1j0f s PRO 68 Cb 0.03 -1.89 0.25 0.00 0.04 0.00 0.00 34.50 32.94 1j0f s PRO 68 CO -0.09 -1.85 1.16 -0.35 0.04 0.00 0.00 177.00 175.91 1j0f n PRO 69 N -3.56 -2.12 -3.43 0.56 -0.04 -1.26 -4.88 135.00 120.26 1j0f n PRO 69 Ca 0.07 -1.81 -0.05 0.00 -0.04 0.00 0.00 63.50 61.66 1j0f n PRO 69 Cb 0.57 -1.43 -0.07 0.00 -0.04 0.00 0.00 33.50 32.54 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 -5.57 0.41 -0.06 0.54 2.00 -1.03 -4.13 119.66 111.82 1j0f s GLN 70 Ca 0.70 0.88 -0.21 0.00 -2.00 0.00 0.00 55.36 54.72 1j0f s GLN 70 Cb -0.04 0.11 -0.04 0.00 0.80 0.00 0.00 33.01 33.84 1j0f s GLN 70 CO 0.51 -0.47 0.62 0.42 -0.50 0.00 0.00 175.29 175.86 1j0f s ILE 71 N 2.67 5.04 0.00 -2.34 1.09 -1.02 -1.01 121.20 125.62 1j0f s ILE 71 Ca 0.08 1.27 0.02 0.00 -1.10 0.00 0.00 60.65 60.92 1j0f s ILE 71 Cb -0.14 -3.96 -0.01 0.00 -1.06 0.00 0.00 42.46 37.30 1j0f s ILE 71 CO -0.16 0.32 -0.07 -0.69 -0.10 0.00 0.00 174.94 174.24 1j0f s VAL 72 N 0.47 0.53 -0.32 2.92 1.01 0.54 -2.26 120.40 123.28 1j0f s VAL 72 Ca 0.33 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.95 1j0f s VAL 72 Cb -0.17 -0.47 0.07 0.00 0.00 0.00 0.00 36.38 35.82 1j0f s VAL 72 CO 0.16 0.10 0.03 0.21 0.00 0.00 0.00 175.10 175.60 1j0f s ASN 73 N -0.30 4.85 0.00 3.32 3.84 0.16 -0.12 114.94 126.69 1j0f s ASN 73 Ca 0.01 -1.63 0.00 0.00 0.21 0.00 0.00 52.86 51.46 1j0f s ASN 73 Cb -0.03 -1.69 0.00 0.00 -0.55 0.00 0.00 41.25 38.98 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 4.50 0.24 0.31 1.21 0.00 0.60 0.18 105.19 112.23 1j0f n GLY 74 Ca -0.08 0.59 0.04 0.00 0.00 0.00 0.00 46.02 46.57 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 1.91 0.92 -4.63 1.61 5.15 -1.26 -4.98 115.26 113.98 1j0f n ASN 75 Ca 0.00 -2.36 -0.25 0.00 -0.60 0.00 0.00 54.58 51.37 1j0f n ASN 75 Cb 0.00 -0.27 -0.08 0.00 -0.53 0.00 0.00 39.78 38.90 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 -1.09 2.71 -0.31 1.20 3.76 0.48 -5.11 115.29 116.94 1j0f s HIS 76 Ca 0.12 -0.20 -0.02 0.00 -0.15 0.00 0.00 55.06 54.81 1j0f s HIS 76 Cb 0.10 -1.26 0.06 0.00 1.11 0.00 0.00 32.58 32.59 1j0f s HIS 76 CO 0.01 0.57 0.02 -0.47 -0.85 0.00 0.00 174.74 174.02 1j0f s TYR 77 N -2.02 3.32 0.00 1.40 5.04 -1.26 -0.67 117.35 123.16 1j0f s TYR 77 Ca 0.29 -1.98 -0.02 0.00 -2.44 0.00 0.00 57.07 52.92 1j0f s TYR 77 Cb -0.08 -2.27 -0.01 0.00 0.35 0.00 0.00 41.96 39.95 1j0f s TYR 77 CO 0.18 -0.83 0.71 0.00 -1.34 0.00 0.00 175.55 174.27 1j0f n GLY 79 N -0.08 -0.58 3.90 0.00 0.00 -1.22 -5.02 105.19 102.18 1j0f n GLY 79 Ca -0.01 -0.68 -0.25 0.00 0.00 0.00 0.00 46.02 45.09 1j0f n GLY 79 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1j0f s ASP 80 N -4.00 4.71 0.38 1.61 -4.77 -1.26 -2.44 116.67 110.90 1j0f s ASP 80 Ca 0.00 -1.13 0.19 0.00 -3.30 0.00 0.00 52.55 48.31 1j0f s ASP 80 Cb 0.00 0.19 1.14 0.00 -1.09 0.00 0.00 42.92 43.16 1j0f s ASP 80 CO 0.00 -1.01 1.71 0.22 0.70 0.00 0.00 175.17 176.79 1j0f h TYR 81 N 0.81 0.73 0.84 2.11 5.03 -1.92 -0.25 116.97 124.32 1j0f h TYR 81 Ca -0.37 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 60.92 1j0f h TYR 81 Cb 1.29 -0.20 0.00 0.00 1.55 0.00 0.00 36.73 39.37 1j0f h TYR 81 CO 0.85 -0.04 -0.47 0.93 -1.32 0.00 0.00 178.16 178.11 1j0f h GLU 82 N 0.34 -1.17 -0.91 1.82 5.08 -1.95 0.78 114.58 118.57 1j0f h GLU 82 Ca 0.67 0.08 0.19 0.00 -1.00 0.00 0.00 59.36 59.30 1j0f h GLU 82 Cb 1.72 0.27 -0.11 0.00 0.50 0.00 0.00 28.75 31.12 1j0f h GLU 82 CO -0.40 -0.78 0.47 -0.07 -1.00 0.00 0.00 179.01 177.23 1j0f h LEU 83 N -1.21 0.53 -0.09 1.33 4.07 -1.48 0.27 115.31 118.73 1j0f h LEU 83 Ca -0.11 0.12 0.01 0.00 0.08 0.00 0.00 57.88 57.98 1j0f h LEU 83 Cb 0.96 0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.72 1j0f h LEU 83 CO 0.14 0.15 -0.00 0.15 -1.08 0.00 0.00 178.44 177.79 1j0f h PHE 84 N 0.57 -0.01 -0.78 1.13 3.57 -0.75 -0.10 116.94 120.57 1j0f h PHE 84 Ca 0.54 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 62.02 1j0f h PHE 84 Cb 0.90 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.62 1j0f h PHE 84 CO -0.08 -0.02 0.41 -0.24 -2.23 0.00 0.00 178.31 176.15 1j0f h VAL 85 N 0.02 1.23 -0.29 1.41 3.04 0.13 0.40 116.25 122.20 1j0f h VAL 85 Ca 0.04 -0.61 0.02 0.00 -1.01 0.00 0.00 66.70 65.14 1j0f h VAL 85 Cb 0.05 0.20 -0.02 0.00 -2.01 0.00 0.00 31.29 29.51 1j0f h VAL 85 CO -0.07 0.27 0.14 -0.33 -1.01 0.00 0.00 177.57 176.57 1j0f h GLU 86 N 1.09 0.29 0.37 4.17 5.08 0.11 0.16 114.58 125.85 1j0f h GLU 86 Ca 0.27 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.60 1j0f h GLU 86 Cb 0.05 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1j0f h GLU 86 CO -0.04 0.19 -0.18 0.00 -1.00 0.00 0.00 179.01 177.99 1j0f h ALA 87 N 1.15 -0.50 -0.80 3.43 0.00 -0.52 0.11 119.26 122.13 1j0f h ALA 87 Ca 0.12 -0.19 0.12 0.00 0.00 0.00 0.00 54.91 54.97 1j0f h ALA 87 Cb 0.03 0.19 -0.13 0.00 0.00 0.00 0.00 17.79 17.88 1j0f h ALA 87 CO -0.08 -0.55 -0.39 0.28 0.00 0.00 0.00 179.25 178.51 1j0f h VAL 88 N -0.95 0.07 0.92 0.00 2.07 -0.13 1.47 116.25 119.70 1j0f h VAL 88 Ca -0.05 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 1j0f h VAL 88 Cb 0.53 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 1j0f h VAL 88 CO 0.08 0.00 -0.48 -0.33 0.02 0.00 0.00 177.57 176.86 1j0f h GLU 89 N -0.09 -1.24 -0.02 1.57 4.39 -0.71 -1.46 114.58 117.03 1j0f h GLU 89 Ca 0.27 0.08 0.01 0.00 0.34 0.00 0.00 59.36 60.06 1j0f h GLU 89 Cb 0.57 0.28 -0.00 0.00 -0.10 0.00 0.00 28.75 29.50 1j0f h GLU 89 CO -0.84 -0.82 0.35 1.96 -1.16 0.00 0.00 179.01 178.50 1j0f h GLN 90 N -1.28 0.00 0.00 2.33 1.08 0.46 -3.44 115.11 114.26 1j0f h GLN 90 Ca -0.13 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.07 1j0f h GLN 90 Cb 1.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.43 1j0f h GLN 90 CO 0.18 0.00 0.00 -3.47 -0.95 0.00 0.00 178.83 174.59 1j0f n ASP 91 N -2.91 -1.07 -2.28 1.46 -0.08 0.47 -4.96 116.55 107.17 1j0f n ASP 91 Ca -0.02 0.00 -0.18 0.00 -1.51 0.00 0.00 54.79 53.08 1j0f n ASP 91 Cb 0.40 -0.46 0.03 0.00 2.34 0.00 0.00 41.12 43.43 1j0f n ASP 91 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1j0f n THR 92 N -3.71 2.16 0.24 5.18 -2.24 0.77 -4.77 114.28 111.91 1j0f n THR 92 Ca 0.00 -3.94 0.10 0.00 -2.27 0.00 0.00 64.05 57.94 1j0f n THR 92 Cb 0.43 -0.51 0.60 0.00 -2.10 0.00 0.00 70.33 68.75 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 2.35 0.00 -0.17 3.22 5.85 -1.85 -1.41 115.31 123.29 1j0f h LEU 93 Ca 0.23 0.00 -0.23 0.00 0.84 0.00 0.00 57.88 58.72 1j0f h LEU 93 Cb 1.41 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.44 1j0f h LEU 93 CO 0.62 0.19 -0.85 1.56 -0.34 0.00 0.00 178.44 179.62 1j0f h GLN 94 N 0.00 0.64 0.32 1.25 7.50 -1.91 -2.98 115.11 119.94 1j0f h GLN 94 Ca -0.00 -0.58 -0.02 0.00 0.50 0.00 0.00 58.65 58.55 1j0f h GLN 94 Cb 0.47 0.14 0.00 0.00 0.05 0.00 0.00 27.48 28.14 1j0f h GLN 94 CO 0.02 1.20 -0.15 0.93 -1.50 0.00 0.00 178.83 179.33 1j0f h GLU 95 N 0.41 -0.41 -0.70 1.46 4.39 -1.78 -2.83 114.58 115.12 1j0f h GLU 95 Ca -0.07 0.03 0.13 0.00 0.34 0.00 0.00 59.36 59.79 1j0f h GLU 95 Cb 1.48 0.09 -0.13 0.00 -0.10 0.00 0.00 28.75 30.09 1j0f h GLU 95 CO 0.16 -0.08 -0.27 0.35 -1.16 0.00 0.00 179.01 178.02 1j0f h PHE 96 N -0.82 -0.68 -3.87 4.33 3.57 -1.37 -3.41 116.94 114.68 1j0f h PHE 96 Ca -0.04 0.07 -0.44 0.00 3.53 0.00 0.00 57.97 61.09 1j0f h PHE 96 Cb 0.52 0.41 0.17 0.00 2.79 0.00 0.00 35.95 39.83 1j0f h PHE 96 CO 0.03 -0.36 0.30 -0.51 -2.23 0.00 0.00 178.31 175.54 1j0f s LEU 97 N -10.86 1.87 -0.46 0.59 1.43 -1.13 -4.80 118.68 105.31 1j0f s LEU 97 Ca -0.14 0.50 -0.03 0.00 -1.03 0.00 0.00 54.13 53.42 1j0f s LEU 97 Cb 0.19 -2.46 0.10 0.00 0.03 0.00 0.00 46.19 44.05 1j0f s LEU 97 CO 0.72 -3.22 2.64 1.17 0.23 0.00 0.00 176.35 177.90 1j0f n LYS 98 N -4.13 2.36 -0.13 1.70 3.00 -1.26 -4.24 118.16 115.45 1j0f n LYS 98 Ca 0.13 -2.34 -0.29 0.00 -0.00 0.00 0.00 58.31 55.82 1j0f n LYS 98 Cb 0.59 -2.10 -0.10 0.00 0.00 0.00 0.00 35.03 33.43 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 0.72 1.97 0.00 3.14 4.77 -1.21 -5.03 117.00 121.36 1j0f n LEU 99 Ca 0.47 0.34 0.00 0.00 -0.03 0.00 0.00 56.01 56.79 1j0f n LEU 99 Cb 0.54 -0.84 0.00 0.00 -2.33 0.00 0.00 43.42 40.79 1j0f n LEU 99 CO 0.35 0.55 0.12 0.00 -1.33 0.00 0.00 177.39 177.08