#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 -0.53 0.57 1.61 1.04 -1.26 -5.18 113.70 109.96 1j0f s SER 2 Ca 0.00 0.29 0.08 0.00 0.48 0.00 0.00 55.95 56.81 1j0f s SER 2 Cb 0.00 1.43 0.07 0.00 0.10 0.00 0.00 66.02 67.62 1j0f s SER 2 CO 0.00 -0.10 0.68 -1.61 0.98 0.00 0.00 173.24 173.19 1j0f s GLU 3 N 2.95 2.28 -0.16 4.02 2.02 -1.26 -5.14 118.70 123.41 1j0f s GLU 3 Ca 0.03 -1.77 -0.28 0.00 0.02 0.00 0.00 54.97 52.98 1j0f s GLU 3 Cb -0.10 -2.48 0.07 0.00 0.10 0.00 0.00 34.13 31.73 1j0f s GLU 3 CO -0.13 -0.80 0.70 0.20 0.02 0.00 0.00 175.26 175.25 1j0f s GLY 4 N -4.55 -0.56 -0.29 -1.39 0.00 -1.26 -5.16 107.32 94.10 1j0f s GLY 4 Ca 0.53 1.68 -0.19 0.00 0.00 0.00 0.00 44.72 46.74 1j0f s GLY 4 CO 0.34 1.36 1.08 0.00 0.00 0.00 0.00 173.10 175.87 1j0f s ALA 5 N -0.40 -2.25 0.00 3.20 0.00 -1.26 -5.11 121.76 115.94 1j0f s ALA 5 Ca -0.05 2.04 0.00 0.00 0.00 0.00 0.00 51.96 53.94 1j0f s ALA 5 Cb -0.03 -1.69 0.00 0.00 0.00 0.00 0.00 23.12 21.41 1j0f s ALA 5 CO 0.05 -0.29 0.00 0.00 0.00 0.00 0.00 175.76 175.53 1j0f n ALA 6 N 3.02 0.00 -3.09 0.00 0.00 -1.26 -5.17 120.51 114.02 1j0f n ALA 6 Ca -0.16 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.16 1j0f n ALA 6 Cb 0.57 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.91 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 0.00 0.03 0.47 0.00 -4.23 -1.26 -5.17 115.64 105.48 1j0f s THR 7 Ca 0.00 -0.21 0.05 0.00 -1.18 0.00 0.00 61.69 60.35 1j0f s THR 7 Cb 0.00 -0.33 0.02 0.00 1.34 0.00 0.00 72.50 73.52 1j0f s THR 7 CO 0.00 -0.12 0.65 0.00 -0.54 0.00 0.00 174.62 174.61 1j0f s MET 8 N -0.37 2.73 -0.26 3.99 0.23 -1.26 -5.12 119.30 119.23 1j0f s MET 8 Ca -0.05 -1.05 -0.27 0.00 -1.03 0.00 0.00 55.69 53.30 1j0f s MET 8 Cb -0.03 -2.65 0.16 0.00 -1.53 0.00 0.00 34.83 30.77 1j0f s MET 8 CO 0.01 -0.44 1.21 -1.54 -2.03 0.00 0.00 175.02 172.24 1j0f s SER 9 N -4.37 -0.23 -0.49 -1.18 1.04 -1.26 -5.10 113.70 102.12 1j0f s SER 9 Ca 0.56 0.35 0.06 0.00 0.48 0.00 0.00 55.95 57.40 1j0f s SER 9 Cb -0.10 0.33 0.19 0.00 0.10 0.00 0.00 66.02 66.54 1j0f s SER 9 CO 0.35 -0.13 0.65 0.61 0.98 0.00 0.00 173.24 175.70 1j0f n GLY 10 N 1.30 0.20 3.73 7.32 0.00 -1.26 -4.92 105.19 111.55 1j0f n GLY 10 Ca -0.09 -0.03 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 0.48 4.42 0.02 0.99 1.98 -1.25 0.27 118.68 125.59 1j0f s LEU 11 Ca 0.31 2.11 0.03 0.00 -2.89 0.00 0.00 54.13 53.69 1j0f s LEU 11 Cb 0.03 -3.59 -0.01 0.00 0.66 0.00 0.00 46.19 43.28 1j0f s LEU 11 CO -0.10 -0.39 -0.10 -0.13 -1.89 0.00 0.00 176.35 173.74 1j0f s ARG 12 N 0.33 0.69 -0.35 1.98 0.52 0.13 -0.12 118.95 122.13 1j0f s ARG 12 Ca 0.55 -0.52 0.04 0.00 -0.52 0.00 0.00 55.73 55.28 1j0f s ARG 12 Cb -0.31 -0.63 0.10 0.00 0.52 0.00 0.00 34.95 34.64 1j0f s ARG 12 CO 0.33 0.16 0.06 0.08 0.02 0.00 0.00 175.30 175.95 1j0f s VAL 13 N -0.63 2.25 -0.67 3.52 1.01 0.34 -0.86 120.40 125.35 1j0f s VAL 13 Ca -0.00 -2.37 -0.27 0.00 0.00 0.00 0.00 61.98 59.34 1j0f s VAL 13 Cb -0.06 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.66 1j0f s VAL 13 CO 0.00 -0.61 1.62 -0.31 0.00 0.00 0.00 175.10 175.79 1j0f s TYR 14 N 0.86 1.93 0.48 5.22 1.51 0.70 0.08 117.35 128.14 1j0f s TYR 14 Ca 0.11 0.42 0.02 0.00 -1.01 0.00 0.00 57.07 56.61 1j0f s TYR 14 Cb -0.19 -4.32 0.02 0.00 -0.11 0.00 0.00 41.96 37.36 1j0f s TYR 14 CO -0.08 -2.20 0.19 -1.13 -1.11 0.00 0.00 175.55 171.21 1j0f n SER 15 N 11.32 2.93 -3.88 2.29 3.41 0.10 -2.08 113.62 127.72 1j0f n SER 15 Ca 0.13 -2.86 -0.12 0.00 -0.26 0.00 0.00 58.87 55.76 1j0f n SER 15 Cb 0.51 0.14 -0.13 0.00 -0.26 0.00 0.00 64.21 64.47 1j0f n SER 15 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1j0f s THR 16 N -2.56 0.02 -0.14 6.66 -1.32 -1.26 0.12 115.64 117.16 1j0f s THR 16 Ca 0.14 -0.16 -0.13 0.00 -1.21 0.00 0.00 61.69 60.33 1j0f s THR 16 Cb -0.01 -0.11 -0.25 0.00 -1.51 0.00 0.00 72.50 70.63 1j0f s THR 16 CO 0.09 -0.09 0.37 -1.28 -2.21 0.00 0.00 174.62 171.50 1j0f h SER 17 N 5.80 0.30 -3.66 8.08 0.87 -1.95 -3.45 113.55 119.54 1j0f h SER 17 Ca -0.26 -0.81 -0.62 0.00 -1.23 0.00 0.00 61.79 58.87 1j0f h SER 17 Cb 1.21 -0.10 -0.14 0.00 -0.44 0.00 0.00 62.40 62.93 1j0f h SER 17 CO 0.47 1.71 -0.15 -0.69 -0.53 0.00 0.00 176.83 177.64 1j0f s VAL 18 N -2.49 5.14 -0.30 2.23 1.01 -1.26 -5.00 120.40 119.73 1j0f s VAL 18 Ca -0.23 0.70 -0.13 0.00 0.00 0.00 0.00 61.98 62.31 1j0f s VAL 18 Cb 0.06 -3.75 0.18 0.00 0.00 0.00 0.00 36.38 32.87 1j0f s VAL 18 CO 0.72 0.14 1.04 0.28 0.00 0.00 0.00 175.10 177.28 1j0f s THR 19 N 2.12 -0.35 0.49 3.92 -1.32 -1.26 -4.94 115.64 114.29 1j0f s THR 19 Ca 0.18 0.00 0.25 0.00 -1.21 0.00 0.00 61.69 60.90 1j0f s THR 19 Cb -0.16 -1.00 0.42 0.00 -1.51 0.00 0.00 72.50 70.26 1j0f s THR 19 CO 0.09 0.00 1.90 1.23 -2.21 0.00 0.00 174.62 175.63 1j0f h GLY 20 N 8.00 0.35 -1.60 6.08 0.00 -2.02 -3.41 103.07 110.47 1j0f h GLY 20 Ca -0.14 -0.08 -0.50 0.00 0.00 0.00 0.00 47.33 46.61 1j0f h GLY 20 CO -0.08 0.00 0.37 -0.45 0.00 0.00 0.00 176.54 176.37 1j0f s SER 21 N -5.76 5.37 -0.15 0.19 0.15 -1.26 -4.99 113.70 107.25 1j0f s SER 21 Ca -0.06 1.83 -0.03 0.00 0.70 0.00 0.00 55.95 58.39 1j0f s SER 21 Cb 0.22 -2.53 -0.08 0.00 -1.71 0.00 0.00 66.02 61.92 1j0f s SER 21 CO 0.77 -1.45 -0.16 -1.14 1.20 0.00 0.00 173.24 172.46 1j0f n ARG 22 N -2.52 0.34 -0.38 5.44 0.63 -1.26 -4.46 116.66 114.45 1j0f n ARG 22 Ca 0.09 0.11 0.30 0.00 -0.92 0.00 0.00 57.85 57.43 1j0f n ARG 22 Cb 0.53 -1.17 0.57 0.00 0.45 0.00 0.00 32.46 32.85 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 -0.26 0.21 0.75 -0.14 3.07 -1.97 0.15 114.58 116.39 1j0f h GLU 23 Ca -0.35 -0.01 -0.04 0.00 -0.50 0.00 0.00 59.36 58.46 1j0f h GLU 23 Cb 1.42 -0.05 0.01 0.00 -0.84 0.00 0.00 28.75 29.29 1j0f h GLU 23 CO -0.14 0.14 -0.36 0.82 -1.40 0.00 0.00 179.01 178.07 1j0f h ILE 24 N 0.21 0.00 -0.51 3.13 2.04 -1.87 0.90 117.51 121.41 1j0f h ILE 24 Ca 0.74 -0.07 0.10 0.00 1.00 0.00 0.00 64.86 66.62 1j0f h ILE 24 Cb 2.09 0.00 -0.10 0.00 -0.74 0.00 0.00 36.82 38.07 1j0f h ILE 24 CO -0.44 0.00 -0.31 0.11 0.00 0.00 0.00 178.15 177.51 1j0f h LYS 25 N -1.08 -0.18 -0.40 2.37 1.57 -1.02 0.10 116.57 117.93 1j0f h LYS 25 Ca -0.10 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 58.77 1j0f h LYS 25 Cb 0.77 0.04 -0.08 0.00 0.08 0.00 0.00 32.23 33.04 1j0f h LYS 25 CO 0.17 -0.12 -0.18 0.77 -0.57 0.00 0.00 179.45 179.52 1j0f h SER 26 N -0.19 -0.60 -0.95 0.86 0.02 -0.89 0.20 113.55 111.99 1j0f h SER 26 Ca 0.21 0.15 0.18 0.00 -0.84 0.00 0.00 61.79 61.49 1j0f h SER 26 Cb 0.54 0.34 -0.10 0.00 0.14 0.00 0.00 62.40 63.31 1j0f h SER 26 CO -0.61 -0.21 0.55 1.56 -1.14 0.00 0.00 176.83 176.98 1j0f h GLN 27 N -0.10 0.69 0.04 3.45 4.20 0.16 0.44 115.11 123.99 1j0f h GLN 27 Ca 0.20 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 1j0f h GLN 27 Cb 0.40 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 28.03 1j0f h GLN 27 CO -0.47 0.45 -0.02 1.96 -0.67 0.00 0.00 178.83 180.09 1j0f h GLN 28 N 0.71 -0.05 -0.49 1.46 4.20 0.10 -0.98 115.11 120.06 1j0f h GLN 28 Ca 0.55 0.00 0.05 0.00 0.06 0.00 0.00 58.65 59.31 1j0f h GLN 28 Cb 0.83 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.58 1j0f h GLN 28 CO -0.38 0.26 0.21 0.77 -0.67 0.00 0.00 178.83 179.02 1j0f h SER 29 N -0.37 0.27 0.52 1.46 0.02 0.61 -0.36 113.55 115.69 1j0f h SER 29 Ca -0.01 0.04 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1j0f h SER 29 Cb 0.34 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.88 1j0f h SER 29 CO 0.01 0.19 -0.34 -0.33 -1.14 0.00 0.00 176.83 175.22 1j0f h GLU 30 N 0.42 -0.78 -0.74 3.45 5.08 -0.12 0.38 114.58 122.27 1j0f h GLU 30 Ca 0.23 0.05 0.11 0.00 -1.00 0.00 0.00 59.36 58.75 1j0f h GLU 30 Cb 0.19 0.18 -0.12 0.00 0.50 0.00 0.00 28.75 29.49 1j0f h GLU 30 CO -0.19 -0.52 -0.43 0.28 -1.00 0.00 0.00 179.01 177.15 1j0f h VAL 31 N -0.81 0.07 -0.71 3.13 2.07 -0.99 1.18 116.25 120.18 1j0f h VAL 31 Ca -0.07 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.54 1j0f h VAL 31 Cb 0.66 0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 1j0f h VAL 31 CO 0.05 0.00 0.47 0.71 0.02 0.00 0.00 177.57 178.82 1j0f h THR 32 N -0.14 0.93 0.63 2.57 1.35 -0.90 0.50 112.91 117.87 1j0f h THR 32 Ca 0.23 -0.21 -0.03 0.00 -0.55 0.00 0.00 66.41 65.85 1j0f h THR 32 Cb 0.55 0.28 0.01 0.00 -1.73 0.00 0.00 68.15 67.26 1j0f h THR 32 CO -0.79 0.11 -0.30 -0.09 -0.25 0.00 0.00 175.52 174.19 1j0f h ARG 33 N 0.60 -0.82 -0.67 4.72 2.43 0.57 0.99 114.38 122.21 1j0f h ARG 33 Ca 0.33 0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.60 1j0f h ARG 33 Cb 0.47 0.19 -0.05 0.00 -0.42 0.00 0.00 29.97 30.16 1j0f h ARG 33 CO -0.11 -0.53 0.39 0.82 -1.51 0.00 0.00 179.97 179.02 1j0f h ILE 34 N -0.88 1.01 -0.58 1.20 5.03 -0.24 0.58 117.51 123.62 1j0f h ILE 34 Ca -0.09 -0.25 -0.02 0.00 -0.12 0.00 0.00 64.86 64.38 1j0f h ILE 34 Cb 0.66 0.22 -0.03 0.00 -3.03 0.00 0.00 36.82 34.64 1j0f h ILE 34 CO 0.14 0.13 0.28 -0.07 -0.68 0.00 0.00 178.15 177.95 1j0f h LEU 35 N 0.73 0.77 -0.02 1.44 3.38 -0.68 0.96 115.31 121.88 1j0f h LEU 35 Ca 0.29 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.12 1j0f h LEU 35 Cb 0.13 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1j0f h LEU 35 CO -0.15 0.68 0.01 -0.78 0.09 0.00 0.00 178.44 178.29 1j0f h ASP 36 N 0.80 0.02 -0.52 -0.43 3.58 0.22 0.14 116.42 120.23 1j0f h ASP 36 Ca 0.20 -0.13 -0.04 0.00 0.42 0.00 0.00 57.03 57.48 1j0f h ASP 36 Cb 0.12 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.14 1j0f h ASP 36 CO -0.02 0.15 0.19 1.23 -2.88 0.00 0.00 179.24 177.90 1j0f h GLY 37 N -0.10 0.85 1.81 -0.78 0.00 0.40 -0.91 103.07 104.33 1j0f h GLY 37 Ca 0.01 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1j0f h GLY 37 CO -0.00 0.45 0.00 0.28 0.00 0.00 0.00 176.54 177.27 1j0f n LYS 38 N -4.51 0.09 -3.74 4.80 5.02 0.33 -4.85 118.16 115.31 1j0f n LYS 38 Ca 0.02 0.21 -0.27 0.00 -2.02 0.00 0.00 58.31 56.25 1j0f n LYS 38 Cb 0.18 -1.50 0.06 0.00 -0.02 0.00 0.00 35.03 33.74 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 -1.40 -6.83 -3.06 1.97 5.12 0.11 -4.95 116.66 107.62 1j0f n ARG 39 Ca 0.05 0.72 -0.38 0.00 -1.93 0.00 0.00 57.85 56.31 1j0f n ARG 39 Cb 0.14 -5.70 -0.06 0.00 -1.16 0.00 0.00 32.46 25.68 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 -3.32 4.48 -0.47 0.55 1.01 0.27 -5.01 121.20 118.71 1j0f s ILE 40 Ca 0.60 1.52 -0.28 0.00 0.00 0.00 0.00 60.65 62.48 1j0f s ILE 40 Cb -0.28 -4.03 0.03 0.00 0.01 0.00 0.00 42.46 38.19 1j0f s ILE 40 CO 0.78 0.46 1.08 -1.10 0.00 0.00 0.00 174.94 176.16 1j0f s GLN 41 N -1.33 3.70 0.35 2.79 -0.21 -1.26 -4.77 119.66 118.93 1j0f s GLN 41 Ca 0.36 0.49 -0.03 0.00 0.02 0.00 0.00 55.36 56.21 1j0f s GLN 41 Cb -0.21 -3.90 0.01 0.00 1.00 0.00 0.00 33.01 29.90 1j0f s GLN 41 CO 0.24 -1.32 0.50 1.52 -2.12 0.00 0.00 175.29 174.10 1j0f s TYR 42 N 4.25 1.03 -0.11 0.91 -0.85 -1.26 -3.87 117.35 117.45 1j0f s TYR 42 Ca 0.45 -1.28 -0.05 0.00 -0.52 0.00 0.00 57.07 55.67 1j0f s TYR 42 Cb -0.08 -0.03 0.05 0.00 0.38 0.00 0.00 41.96 42.28 1j0f s TYR 42 CO 0.30 -1.17 0.25 -1.14 -1.52 0.00 0.00 175.55 172.27 1j0f s GLN 43 N -2.96 0.19 0.49 -3.49 0.74 0.83 -4.95 119.66 110.50 1j0f s GLN 43 Ca 0.30 0.60 -0.21 0.00 0.05 0.00 0.00 55.36 56.10 1j0f s GLN 43 Cb -0.01 -0.10 -0.07 0.00 1.10 0.00 0.00 33.01 33.93 1j0f s GLN 43 CO 0.20 -0.20 1.10 -0.51 -0.55 0.00 0.00 175.29 175.33 1j0f s LEU 44 N 1.63 3.87 -0.26 3.68 2.01 -1.26 -0.51 118.68 127.84 1j0f s LEU 44 Ca -0.06 2.10 -0.03 0.00 0.01 0.00 0.00 54.13 56.15 1j0f s LEU 44 Cb -0.11 -4.47 0.09 0.00 0.01 0.00 0.00 46.19 41.71 1j0f s LEU 44 CO -0.09 -0.94 0.10 -0.69 1.01 0.00 0.00 176.35 175.75 1j0f s VAL 45 N -1.79 0.24 -0.47 -1.59 1.01 0.11 -4.78 120.40 113.13 1j0f s VAL 45 Ca 0.68 -0.80 -0.28 0.00 0.00 0.00 0.00 61.98 61.58 1j0f s VAL 45 Cb -0.22 -1.09 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 1j0f s VAL 45 CO 0.26 -0.57 1.67 -0.62 0.00 0.00 0.00 175.10 175.84 1j0f s ASP 46 N 1.95 5.83 0.17 3.32 -1.08 -1.26 -0.72 116.67 124.89 1j0f s ASP 46 Ca 0.07 0.73 -0.11 0.00 -0.52 0.00 0.00 52.55 52.72 1j0f s ASP 46 Cb -0.16 -2.53 0.07 0.00 -1.46 0.00 0.00 42.92 38.83 1j0f s ASP 46 CO -0.26 -1.86 1.68 0.16 0.52 0.00 0.00 175.17 175.41 1j0f h ILE 47 N 6.69 1.25 -0.49 4.11 3.07 0.65 -2.87 117.51 129.92 1j0f h ILE 47 Ca -0.29 -0.93 0.10 0.00 1.55 0.00 0.00 64.86 65.29 1j0f h ILE 47 Cb 1.14 0.72 -0.09 0.00 -0.27 0.00 0.00 36.82 38.32 1j0f h ILE 47 CO 1.13 0.35 -0.13 -1.28 -1.05 0.00 0.00 178.15 177.16 1j0f h SER 48 N 0.86 -0.49 -0.07 2.16 0.87 -1.89 -2.63 113.55 112.37 1j0f h SER 48 Ca 0.18 0.15 0.01 0.00 -1.23 0.00 0.00 61.79 60.90 1j0f h SER 48 Cb 0.37 0.32 -0.01 0.00 -0.44 0.00 0.00 62.40 62.64 1j0f h SER 48 CO 0.01 -0.17 -0.04 1.56 -0.53 0.00 0.00 176.83 177.65 1j0f h GLN 49 N -0.01 -0.00 -4.73 2.24 1.08 -1.87 -3.33 115.11 108.49 1j0f h GLN 49 Ca 0.24 0.00 -0.68 0.00 -1.45 0.00 0.00 58.65 56.76 1j0f h GLN 49 Cb 0.37 0.00 -0.20 0.00 -0.05 0.00 0.00 27.48 27.60 1j0f h GLN 49 CO -0.51 -0.00 -0.50 0.34 -0.95 0.00 0.00 178.83 177.20 1j0f s ASP 50 N -3.18 5.90 0.35 1.46 2.15 -0.99 -4.95 116.67 117.42 1j0f s ASP 50 Ca -0.01 -0.47 0.12 0.00 0.43 0.00 0.00 52.55 52.62 1j0f s ASP 50 Cb 0.01 -2.10 0.93 0.00 -0.30 0.00 0.00 42.92 41.46 1j0f s ASP 50 CO 0.05 -0.23 1.78 -1.13 -0.17 0.00 0.00 175.17 175.46 1j0f h ASN 51 N 8.45 0.61 -0.25 -0.34 -0.73 -1.68 0.45 115.58 122.09 1j0f h ASN 51 Ca -0.31 0.09 0.06 0.00 1.87 0.00 0.00 56.30 58.01 1j0f h ASN 51 Cb 1.15 -0.01 -0.08 0.00 0.27 0.00 0.00 38.32 39.66 1j0f h ASN 51 CO 0.63 0.17 -0.34 0.00 -0.37 0.00 0.00 177.43 177.51 1j0f h ALA 52 N 1.65 -0.34 -0.96 1.57 0.00 -1.92 -1.54 119.26 117.73 1j0f h ALA 52 Ca 0.58 0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.64 1j0f h ALA 52 Cb 1.19 0.69 -0.12 0.00 0.00 0.00 0.00 17.79 19.54 1j0f h ALA 52 CO -0.35 -0.80 -0.56 -0.07 0.00 0.00 0.00 179.25 177.48 1j0f h LEU 53 N -0.35 -2.04 -0.91 0.00 3.38 -1.13 1.02 115.31 115.28 1j0f h LEU 53 Ca 0.12 0.32 0.28 0.00 0.09 0.00 0.00 57.88 58.69 1j0f h LEU 53 Cb 0.56 0.92 -0.17 0.00 0.09 0.00 0.00 40.66 42.05 1j0f h LEU 53 CO -0.44 -0.25 0.12 -1.14 0.09 0.00 0.00 178.44 176.81 1j0f n ARG 54 N -5.29 -0.07 0.14 1.13 0.63 -0.59 0.41 116.66 113.01 1j0f n ARG 54 Ca 0.03 1.34 -0.08 0.00 -0.92 0.00 0.00 57.85 58.22 1j0f n ARG 54 Cb 0.29 -2.19 -0.05 0.00 0.45 0.00 0.00 32.46 30.96 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 -0.36 -1.58 6.15 1.82 0.10 -2.93 116.42 119.63 1j0f h ASP 55 Ca 0.60 -0.08 0.50 0.00 -0.39 0.00 0.00 57.03 57.66 1j0f h ASP 55 Cb 1.33 0.09 -0.11 0.00 0.68 0.00 0.00 39.33 41.32 1j0f h ASP 55 CO -0.83 0.11 1.08 -0.33 -1.61 0.00 0.00 179.24 177.66 1j0f h GLU 56 N -1.06 0.03 0.39 0.28 5.08 0.28 0.50 114.58 120.08 1j0f h GLU 56 Ca -0.04 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1j0f h GLU 56 Cb 0.42 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1j0f h GLU 56 CO 0.07 0.02 -0.19 1.98 -1.00 0.00 0.00 179.01 179.89 1j0f h MET 57 N 0.03 -0.51 -0.69 2.33 4.05 -0.01 0.11 114.93 120.24 1j0f h MET 57 Ca 0.87 0.03 0.10 0.00 -0.28 0.00 0.00 59.70 60.43 1j0f h MET 57 Cb 3.09 0.12 -0.08 0.00 -0.80 0.00 0.00 31.60 33.93 1j0f h MET 57 CO -0.26 -0.20 0.31 0.00 0.23 0.00 0.00 176.91 177.00 1j0f h ARG 58 N -0.95 0.51 0.43 0.39 3.08 0.08 0.71 114.38 118.62 1j0f h ARG 58 Ca -0.05 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 1j0f h ARG 58 Cb 0.54 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.48 1j0f h ARG 58 CO 0.09 0.34 -0.20 1.15 -1.07 0.00 0.00 179.97 180.27 1j0f h THR 59 N 0.52 0.56 0.23 2.04 2.02 -0.93 0.43 112.91 117.80 1j0f h THR 59 Ca 0.35 -0.30 0.01 0.00 0.77 0.00 0.00 66.41 67.24 1j0f h THR 59 Cb 0.42 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.50 1j0f h THR 59 CO -0.30 0.05 -0.37 -0.07 0.37 0.00 0.00 175.52 175.20 1j0f h LEU 60 N -0.75 -1.06 -0.08 2.58 3.38 -0.25 -2.59 115.31 116.54 1j0f h LEU 60 Ca -0.06 0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.06 1j0f h LEU 60 Cb 0.53 0.38 -0.06 0.00 0.09 0.00 0.00 40.66 41.60 1j0f h LEU 60 CO 0.10 -0.48 -0.33 0.00 0.09 0.00 0.00 178.44 177.81 1j0f h ALA 61 N -0.18 -0.43 0.00 1.53 0.00 0.41 -3.46 119.26 117.13 1j0f h ALA 61 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1j0f h ALA 61 Cb 0.66 0.62 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1j0f h ALA 61 CO -0.15 -0.83 0.00 0.41 0.00 0.00 0.00 179.25 178.68 1j0f n GLY 62 N -1.42 1.21 3.64 0.00 0.00 0.13 -5.07 105.19 103.69 1j0f n GLY 62 Ca -0.04 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.57 0.22 1.61 2.47 0.13 -5.03 114.94 111.77 1j0f s ASN 63 Ca 0.00 0.97 0.09 0.00 0.42 0.00 0.00 52.86 54.34 1j0f s ASN 63 Cb 0.00 1.14 0.16 0.00 -1.45 0.00 0.00 41.25 41.10 1j0f s ASN 63 CO 0.00 -0.16 1.50 1.55 -3.72 0.00 0.00 177.10 176.27 1j0f h PRO 64 N 5.55 0.01 -1.59 0.43 0.13 -1.98 -3.18 132.00 131.36 1j0f h PRO 64 Ca -0.28 -0.01 -0.53 0.00 -0.87 0.00 0.00 66.00 64.30 1j0f h PRO 64 Cb 1.19 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.12 1j0f h PRO 64 CO 0.15 0.76 0.63 1.63 -0.23 0.00 0.00 178.00 180.94 1j0f n LYS 65 N -3.66 2.34 -3.52 0.86 4.76 -1.26 -4.93 118.16 112.75 1j0f n LYS 65 Ca -0.01 -2.53 -0.22 0.00 -2.87 0.00 0.00 58.31 52.69 1j0f n LYS 65 Cb 0.73 -2.03 -0.01 0.00 -1.84 0.00 0.00 35.03 31.87 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 -2.67 3.91 0.10 7.82 0.00 -1.20 -5.12 121.76 124.60 1j0f s ALA 66 Ca 0.51 -1.17 -0.14 0.00 0.00 0.00 0.00 51.96 51.15 1j0f s ALA 66 Cb 0.38 -1.89 0.03 0.00 0.00 0.00 0.00 23.12 21.63 1j0f s ALA 66 CO -0.13 -0.00 0.35 0.95 0.00 0.00 0.00 175.76 176.92 1j0f s THR 67 N -2.22 0.09 0.84 0.00 -4.23 -1.26 -4.96 115.64 103.91 1j0f s THR 67 Ca 0.41 -0.70 -0.12 0.00 -1.18 0.00 0.00 61.69 60.10 1j0f s THR 67 Cb -0.09 -1.16 0.10 0.00 1.34 0.00 0.00 72.50 72.68 1j0f s THR 67 CO 0.33 -0.39 1.11 -2.16 -0.54 0.00 0.00 174.62 172.97 1j0f s PRO 68 N -3.58 1.70 0.84 3.99 0.04 -1.26 -4.67 135.00 132.06 1j0f s PRO 68 Ca 0.02 0.49 -0.14 0.00 0.04 0.00 0.00 61.00 61.41 1j0f s PRO 68 Cb 0.02 -1.89 0.20 0.00 0.04 0.00 0.00 34.50 32.88 1j0f s PRO 68 CO -0.10 -1.86 0.93 -0.35 0.04 0.00 0.00 177.00 175.66 1j0f n PRO 69 N -3.57 -1.80 -3.37 0.56 -0.04 -1.26 -4.81 135.00 120.71 1j0f n PRO 69 Ca 0.07 -1.45 -0.00 0.00 -0.04 0.00 0.00 63.50 62.07 1j0f n PRO 69 Cb 0.58 -1.15 -0.04 0.00 -0.04 0.00 0.00 33.50 32.85 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 -5.06 0.52 0.07 0.54 2.00 -0.88 -4.15 119.66 112.70 1j0f s GLN 70 Ca 0.56 1.08 -0.23 0.00 -2.00 0.00 0.00 55.36 54.77 1j0f s GLN 70 Cb -0.03 0.49 -0.06 0.00 0.80 0.00 0.00 33.01 34.20 1j0f s GLN 70 CO 0.41 -0.47 0.68 0.42 -0.50 0.00 0.00 175.29 175.83 1j0f s ILE 71 N 2.80 4.67 -0.02 -2.34 1.09 -1.04 -0.21 121.20 126.15 1j0f s ILE 71 Ca 0.10 1.46 -0.01 0.00 -1.10 0.00 0.00 60.65 61.09 1j0f s ILE 71 Cb -0.14 -4.02 0.01 0.00 -1.06 0.00 0.00 42.46 37.25 1j0f s ILE 71 CO -0.19 0.47 0.05 -0.69 -0.10 0.00 0.00 174.94 174.48 1j0f s VAL 72 N -0.66 -0.01 -0.35 2.92 1.01 -0.04 -2.06 120.40 121.21 1j0f s VAL 72 Ca 0.34 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.33 1j0f s VAL 72 Cb -0.20 -0.08 0.07 0.00 0.00 0.00 0.00 36.38 36.17 1j0f s VAL 72 CO 0.22 0.02 0.09 0.21 0.00 0.00 0.00 175.10 175.63 1j0f s ASN 73 N 0.22 5.07 0.00 3.32 3.84 0.77 0.21 114.94 128.37 1j0f s ASN 73 Ca -0.02 -1.57 0.00 0.00 0.21 0.00 0.00 52.86 51.49 1j0f s ASN 73 Cb -0.03 -1.77 0.00 0.00 -0.55 0.00 0.00 41.25 38.91 1j0f s ASN 73 CO -0.01 -0.38 0.00 0.61 -2.79 0.00 0.00 177.10 174.54 1j0f n GLY 74 N 4.62 0.23 0.66 1.21 0.00 0.14 0.11 105.19 112.16 1j0f n GLY 74 Ca -0.08 0.69 0.03 0.00 0.00 0.00 0.00 46.02 46.65 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 1.98 0.76 -4.44 1.61 4.13 -1.26 -4.97 115.26 113.07 1j0f n ASN 75 Ca 0.00 -2.33 -0.31 0.00 1.68 0.00 0.00 54.58 53.61 1j0f n ASN 75 Cb 0.00 -0.29 -0.13 0.00 -1.54 0.00 0.00 39.78 37.82 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 -0.74 2.56 -0.49 3.10 3.76 0.29 -5.09 115.29 118.69 1j0f s HIS 76 Ca 0.16 -0.26 -0.18 0.00 -0.15 0.00 0.00 55.06 54.64 1j0f s HIS 76 Cb 0.16 -1.53 0.06 0.00 1.11 0.00 0.00 32.58 32.39 1j0f s HIS 76 CO -0.04 0.18 0.52 -0.47 -0.85 0.00 0.00 174.74 174.08 1j0f s TYR 77 N -0.80 3.13 0.00 1.40 5.04 -1.26 -0.16 117.35 124.70 1j0f s TYR 77 Ca 0.13 -0.68 0.00 0.00 -2.44 0.00 0.00 57.07 54.08 1j0f s TYR 77 Cb -0.10 -3.36 0.00 0.00 0.35 0.00 0.00 41.96 38.85 1j0f s TYR 77 CO 0.02 -0.92 0.73 0.00 -1.34 0.00 0.00 175.55 174.04 1j0f n GLY 79 N -0.33 -0.71 3.77 0.00 0.00 -1.21 -5.01 105.19 101.70 1j0f n GLY 79 Ca 0.00 -0.36 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 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 4.16 0.33 1.61 -4.77 -1.26 -2.50 116.67 110.24 1j0f s ASP 80 Ca 0.00 -1.65 0.10 0.00 -3.30 0.00 0.00 52.55 47.70 1j0f s ASP 80 Cb 0.00 0.55 0.87 0.00 -1.09 0.00 0.00 42.92 43.25 1j0f s ASP 80 CO 0.00 -0.88 1.77 0.22 0.70 0.00 0.00 175.17 176.98 1j0f h TYR 81 N 1.31 0.95 0.84 2.11 5.03 -1.92 0.40 116.97 125.69 1j0f h TYR 81 Ca -0.44 0.03 -0.04 0.00 2.58 0.00 0.00 58.73 60.87 1j0f h TYR 81 Cb 1.32 -0.28 -0.00 0.00 1.55 0.00 0.00 36.73 39.32 1j0f h TYR 81 CO 1.54 0.15 -0.49 0.93 -1.32 0.00 0.00 178.16 178.97 1j0f h GLU 82 N 0.63 -1.18 -0.79 1.82 5.08 -1.95 0.85 114.58 119.03 1j0f h GLU 82 Ca 0.59 0.08 0.13 0.00 -1.00 0.00 0.00 59.36 59.17 1j0f h GLU 82 Cb 1.11 0.27 -0.09 0.00 0.50 0.00 0.00 28.75 30.54 1j0f h GLU 82 CO -0.38 -0.79 0.38 -0.07 -1.00 0.00 0.00 179.01 177.15 1j0f h LEU 83 N -1.23 0.45 -0.12 1.33 4.07 -1.69 0.14 115.31 118.26 1j0f h LEU 83 Ca -0.11 0.09 0.04 0.00 0.08 0.00 0.00 57.88 57.97 1j0f h LEU 83 Cb 0.98 0.02 -0.04 0.00 1.08 0.00 0.00 40.66 42.70 1j0f h LEU 83 CO 0.13 0.20 -0.11 0.15 -1.08 0.00 0.00 178.44 177.73 1j0f h PHE 84 N 0.57 -0.27 -0.13 1.13 3.57 -0.58 -0.94 116.94 120.29 1j0f h PHE 84 Ca 0.42 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.94 1j0f h PHE 84 Cb 0.57 0.14 -0.01 0.00 2.79 0.00 0.00 35.95 39.44 1j0f h PHE 84 CO -0.12 -0.17 0.07 -0.24 -2.23 0.00 0.00 178.31 175.63 1j0f h VAL 85 N -0.13 1.01 -0.49 1.41 3.04 0.46 0.34 116.25 121.90 1j0f h VAL 85 Ca 0.08 -0.05 0.09 0.00 -1.01 0.00 0.00 66.70 65.80 1j0f h VAL 85 Cb 0.25 0.84 -0.10 0.00 -2.01 0.00 0.00 31.29 30.27 1j0f h VAL 85 CO -0.20 0.03 -0.38 -0.33 -1.01 0.00 0.00 177.57 175.68 1j0f h GLU 86 N 0.16 -0.24 0.67 4.17 5.08 -0.27 1.19 114.58 125.34 1j0f h GLU 86 Ca 0.05 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.40 1j0f h GLU 86 Cb -0.00 0.05 0.01 0.00 0.50 0.00 0.00 28.75 29.31 1j0f h GLU 86 CO -0.03 -0.16 -0.32 0.00 -1.00 0.00 0.00 179.01 177.50 1j0f h ALA 87 N 0.70 -0.90 -0.80 3.43 0.00 -0.91 0.44 119.26 121.23 1j0f h ALA 87 Ca 0.18 -0.21 0.14 0.00 0.00 0.00 0.00 54.91 55.01 1j0f h ALA 87 Cb 0.56 0.35 -0.14 0.00 0.00 0.00 0.00 17.79 18.56 1j0f h ALA 87 CO -0.62 -0.92 -0.34 0.28 0.00 0.00 0.00 179.25 177.66 1j0f h VAL 88 N -1.07 0.10 -0.47 0.00 2.07 0.34 1.24 116.25 118.46 1j0f h VAL 88 Ca -0.09 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 1j0f h VAL 88 Cb 0.72 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 1j0f h VAL 88 CO 0.15 0.00 0.22 -0.33 0.02 0.00 0.00 177.57 177.63 1j0f h GLU 89 N -0.07 0.68 0.00 1.57 5.08 0.15 -0.78 114.58 121.22 1j0f h GLU 89 Ca 0.31 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.56 1j0f h GLU 89 Cb 0.58 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1j0f h GLU 89 CO -0.84 0.58 0.00 1.04 -1.00 0.00 0.00 179.01 178.79 1j0f n GLN 90 N -4.62 0.04 -2.12 2.33 1.13 0.16 -4.82 117.38 109.47 1j0f n GLN 90 Ca 0.01 0.28 -0.11 0.00 -1.94 0.00 0.00 57.00 55.25 1j0f n GLN 90 Cb 0.12 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 28.96 1j0f n GLN 90 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 1j0f n ASP 91 N -1.45 -3.58 -1.86 1.08 -0.08 0.38 -4.91 116.55 106.13 1j0f n ASP 91 Ca 0.03 0.01 -0.07 0.00 -1.51 0.00 0.00 54.79 53.26 1j0f n ASP 91 Cb 0.12 -2.75 0.07 0.00 2.34 0.00 0.00 41.12 40.89 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 -3.89 1.75 0.29 5.18 -2.24 0.25 -4.79 114.28 110.84 1j0f n THR 92 Ca -0.12 -3.19 0.15 0.00 -2.27 0.00 0.00 64.05 58.62 1j0f n THR 92 Cb 0.57 0.02 0.90 0.00 -2.10 0.00 0.00 70.33 69.73 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 1.87 0.00 -0.31 3.22 5.85 -1.84 -0.56 115.31 123.54 1j0f h LEU 93 Ca 0.07 0.00 -0.20 0.00 0.84 0.00 0.00 57.88 58.59 1j0f h LEU 93 Cb 1.41 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.44 1j0f h LEU 93 CO 0.35 0.03 -0.73 1.56 -0.34 0.00 0.00 178.44 179.31 1j0f h GLN 94 N 0.00 0.59 0.33 1.25 7.50 -1.90 -2.93 115.11 119.95 1j0f h GLN 94 Ca -0.00 -0.47 -0.02 0.00 0.50 0.00 0.00 58.65 58.66 1j0f h GLN 94 Cb 0.10 0.09 0.00 0.00 0.05 0.00 0.00 27.48 27.73 1j0f h GLN 94 CO 0.00 1.09 -0.16 0.93 -1.50 0.00 0.00 178.83 179.20 1j0f h GLU 95 N 0.41 -0.43 -0.73 1.46 5.08 -1.46 -2.92 114.58 115.99 1j0f h GLU 95 Ca -0.04 0.03 0.15 0.00 -1.00 0.00 0.00 59.36 58.51 1j0f h GLU 95 Cb 1.33 0.10 -0.13 0.00 0.50 0.00 0.00 28.75 30.54 1j0f h GLU 95 CO 0.14 -0.11 -0.13 0.35 -1.00 0.00 0.00 179.01 178.26 1j0f h PHE 96 N -0.83 -0.28 -4.17 4.33 3.57 -1.45 -3.41 116.94 114.70 1j0f h PHE 96 Ca -0.05 0.06 -0.45 0.00 3.53 0.00 0.00 57.97 61.06 1j0f h PHE 96 Cb 0.52 0.24 0.14 0.00 2.79 0.00 0.00 35.95 39.64 1j0f h PHE 96 CO 0.03 -0.29 0.35 -0.51 -2.23 0.00 0.00 178.31 175.66 1j0f s LEU 97 N -10.91 2.22 -0.37 0.59 1.43 -1.11 -4.86 118.68 105.67 1j0f s LEU 97 Ca -0.14 0.63 -0.04 0.00 -1.03 0.00 0.00 54.13 53.55 1j0f s LEU 97 Cb 0.21 -2.82 0.02 0.00 0.03 0.00 0.00 46.19 43.64 1j0f s LEU 97 CO 0.75 -2.65 2.84 0.29 0.23 0.00 0.00 176.35 177.80 1j0f n LYS 98 N -3.78 2.28 -0.14 1.70 4.01 -1.26 -4.17 118.16 116.80 1j0f n LYS 98 Ca 0.11 -2.07 -0.29 0.00 -0.51 0.00 0.00 58.31 55.55 1j0f n LYS 98 Cb 0.60 -2.07 -0.10 0.00 -0.51 0.00 0.00 35.03 32.94 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 1.08 2.02 0.00 -0.35 4.77 -1.21 -5.11 117.00 118.19 1j0f n LEU 99 Ca 0.46 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.76 1j0f n LEU 99 Cb 0.61 -0.83 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1j0f n LEU 99 CO 0.30 0.59 0.07 0.00 -1.33 0.00 0.00 177.39 177.02