#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 6.76 -0.22 1.61 0.01 -1.26 -4.96 113.70 115.65 1j0f s SER 2 Ca 0.00 -2.31 0.02 0.00 1.31 0.00 0.00 55.95 54.97 1j0f s SER 2 Cb 0.00 -2.42 0.04 0.00 0.21 0.00 0.00 66.02 63.85 1j0f s SER 2 CO 0.00 -1.00 -0.16 -1.61 0.41 0.00 0.00 173.24 170.88 1j0f s GLU 3 N 2.56 2.61 0.00 12.44 2.02 -1.26 -5.09 118.70 131.98 1j0f s GLU 3 Ca 0.37 -1.05 0.00 0.00 0.02 0.00 0.00 54.97 54.31 1j0f s GLU 3 Cb -0.04 -2.70 0.00 0.00 0.10 0.00 0.00 34.13 31.50 1j0f s GLU 3 CO -0.06 -0.38 0.00 0.41 0.02 0.00 0.00 175.26 175.25 1j0f n GLY 4 N 4.54 -1.70 2.87 -1.39 0.00 -1.26 -4.95 105.19 103.31 1j0f n GLY 4 Ca -0.18 -0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.64 -2.27 4.61 0.00 -1.26 -5.05 120.51 110.90 1j0f n ALA 5 Ca 0.00 0.40 -0.15 0.00 0.00 0.00 0.00 53.44 53.69 1j0f n ALA 5 Cb 0.00 -2.17 -0.10 0.00 0.00 0.00 0.00 19.45 17.18 1j0f n ALA 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1j0f s ALA 6 N -2.82 1.49 0.01 0.00 0.00 -1.26 -5.16 121.76 114.02 1j0f s ALA 6 Ca 0.08 -1.60 0.01 0.00 0.00 0.00 0.00 51.96 50.46 1j0f s ALA 6 Cb -0.02 0.35 -0.01 0.00 0.00 0.00 0.00 23.12 23.43 1j0f s ALA 6 CO 0.70 -0.22 -0.04 0.99 0.00 0.00 0.00 175.76 177.18 1j0f s THR 7 N -3.48 0.32 -0.29 0.00 2.01 -1.26 -5.12 115.64 107.81 1j0f s THR 7 Ca 0.22 -0.43 0.02 0.00 0.31 0.00 0.00 61.69 61.81 1j0f s THR 7 Cb 0.05 -0.33 0.19 0.00 0.01 0.00 0.00 72.50 72.43 1j0f s THR 7 CO 0.04 -0.08 0.65 -0.32 -0.69 0.00 0.00 174.62 174.21 1j0f s MET 8 N -0.55 0.52 -0.06 4.92 1.75 -1.26 -5.14 119.30 119.48 1j0f s MET 8 Ca -0.03 0.66 -0.02 0.00 -1.25 0.00 0.00 55.69 55.06 1j0f s MET 8 Cb -0.04 0.34 0.03 0.00 2.84 0.00 0.00 34.83 37.99 1j0f s MET 8 CO -0.00 -0.81 0.02 -1.12 -0.65 0.00 0.00 175.02 172.46 1j0f s SER 9 N 2.85 1.39 -0.98 1.11 0.01 -1.26 -5.04 113.70 111.79 1j0f s SER 9 Ca 0.14 -0.02 -0.04 0.00 1.31 0.00 0.00 55.95 57.35 1j0f s SER 9 Cb -0.11 -0.32 0.26 0.00 0.21 0.00 0.00 66.02 66.06 1j0f s SER 9 CO -0.23 -0.22 1.05 0.61 0.41 0.00 0.00 173.24 174.86 1j0f n GLY 10 N 5.20 4.48 3.70 3.44 0.00 -1.26 -4.92 105.19 115.82 1j0f n GLY 10 Ca -0.06 -2.63 -0.42 0.00 0.00 0.00 0.00 46.02 42.91 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 -1.82 4.34 -0.06 0.99 1.98 -1.25 0.15 118.68 123.00 1j0f s LEU 11 Ca 0.31 1.96 0.01 0.00 -2.89 0.00 0.00 54.13 53.52 1j0f s LEU 11 Cb -0.03 -3.57 0.02 0.00 0.66 0.00 0.00 46.19 43.27 1j0f s LEU 11 CO -0.05 -0.52 -0.07 -0.13 -1.89 0.00 0.00 176.35 173.69 1j0f s ARG 12 N 1.52 1.22 -0.45 1.98 0.52 0.85 -0.59 118.95 123.99 1j0f s ARG 12 Ca 0.58 -0.22 -0.07 0.00 -0.52 0.00 0.00 55.73 55.51 1j0f s ARG 12 Cb -0.28 -1.16 0.12 0.00 0.52 0.00 0.00 34.95 34.15 1j0f s ARG 12 CO 0.27 -0.09 0.30 0.08 0.02 0.00 0.00 175.30 175.88 1j0f s VAL 13 N 1.02 3.85 -0.63 3.52 1.01 0.54 -0.29 120.40 129.42 1j0f s VAL 13 Ca -0.09 -1.93 -0.27 0.00 0.00 0.00 0.00 61.98 59.69 1j0f s VAL 13 Cb -0.14 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.67 1j0f s VAL 13 CO -0.00 -0.75 1.51 -0.31 0.00 0.00 0.00 175.10 175.55 1j0f s TYR 14 N 1.23 2.08 0.09 5.22 1.51 0.27 -0.46 117.35 127.28 1j0f s TYR 14 Ca 0.07 0.39 0.08 0.00 -1.01 0.00 0.00 57.07 56.60 1j0f s TYR 14 Cb -0.25 -4.38 -0.03 0.00 -0.11 0.00 0.00 41.96 37.19 1j0f s TYR 14 CO -0.02 -2.13 -0.20 -1.12 -1.11 0.00 0.00 175.55 170.97 1j0f s SER 15 N 5.33 2.41 -0.05 2.29 0.01 0.25 -2.25 113.70 121.69 1j0f s SER 15 Ca 0.51 -0.64 -0.07 0.00 1.31 0.00 0.00 55.95 57.07 1j0f s SER 15 Cb -0.11 -0.14 -0.04 0.00 0.21 0.00 0.00 66.02 65.94 1j0f s SER 15 CO 0.20 0.06 0.21 0.28 0.41 0.00 0.00 173.24 174.40 1j0f s THR 16 N -1.10 5.40 -0.13 1.44 -1.32 -1.26 -2.57 115.64 116.10 1j0f s THR 16 Ca 0.06 0.17 -0.16 0.00 -1.21 0.00 0.00 61.69 60.55 1j0f s THR 16 Cb -0.10 -3.50 -0.14 0.00 -1.51 0.00 0.00 72.50 67.26 1j0f s THR 16 CO 0.03 0.49 0.34 -1.28 -2.21 0.00 0.00 174.62 171.99 1j0f h SER 17 N 4.45 0.00 -3.35 8.08 0.87 -1.95 -3.45 113.55 118.19 1j0f h SER 17 Ca -0.52 -0.49 -0.59 0.00 -1.23 0.00 0.00 61.79 58.96 1j0f h SER 17 Cb 1.21 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 63.07 1j0f h SER 17 CO 0.63 0.85 -0.24 -0.69 -0.53 0.00 0.00 176.83 176.85 1j0f s VAL 18 N -2.00 5.25 -0.29 2.23 1.01 -1.26 -5.04 120.40 120.30 1j0f s VAL 18 Ca -0.13 0.70 -0.25 0.00 0.00 0.00 0.00 61.98 62.30 1j0f s VAL 18 Cb -0.00 -3.71 0.17 0.00 0.00 0.00 0.00 36.38 32.84 1j0f s VAL 18 CO 0.39 0.33 1.34 0.28 0.00 0.00 0.00 175.10 177.44 1j0f s THR 19 N 0.74 0.00 -0.79 3.92 -1.32 -1.26 -4.96 115.64 111.97 1j0f s THR 19 Ca 0.20 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.66 1j0f s THR 19 Cb -0.14 -1.00 0.37 0.00 -1.51 0.00 0.00 72.50 70.22 1j0f s THR 19 CO 0.07 0.00 1.97 0.61 -2.21 0.00 0.00 174.62 175.05 1j0f n GLY 20 N 1.61 5.62 2.50 6.08 0.00 -1.26 -4.75 105.19 114.99 1j0f n GLY 20 Ca -0.10 -2.47 -0.25 0.00 0.00 0.00 0.00 46.02 43.20 1j0f n GLY 20 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j0f s SER 21 N -1.39 1.96 0.24 1.61 1.04 -1.26 -5.00 113.70 110.89 1j0f s SER 21 Ca 0.54 -2.34 -0.09 0.00 0.48 0.00 0.00 55.95 54.54 1j0f s SER 21 Cb 0.45 -0.14 0.36 0.00 0.10 0.00 0.00 66.02 66.80 1j0f s SER 21 CO -0.33 -0.25 1.63 0.03 0.98 0.00 0.00 173.24 175.30 1j0f h ARG 22 N 6.50 0.05 -0.97 4.02 -0.00 -2.00 0.51 114.38 122.50 1j0f h ARG 22 Ca 0.13 -0.00 0.28 0.00 -0.50 0.00 0.00 59.98 59.89 1j0f h ARG 22 Cb 0.97 -0.01 -0.14 0.00 0.00 0.00 0.00 29.97 30.79 1j0f h ARG 22 CO 0.27 0.03 0.49 1.49 0.00 0.00 0.00 179.97 182.25 1j0f h GLU 23 N 0.05 0.33 0.55 0.04 4.81 -1.99 0.27 114.58 118.65 1j0f h GLU 23 Ca 0.38 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.56 1j0f h GLU 23 Cb 0.63 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.94 1j0f h GLU 23 CO -0.69 0.22 -0.26 0.82 -0.73 0.00 0.00 179.01 178.37 1j0f h ILE 24 N 0.34 0.00 -0.85 2.32 2.04 -0.33 -2.55 117.51 118.49 1j0f h ILE 24 Ca 0.67 -0.34 0.10 0.00 1.00 0.00 0.00 64.86 66.28 1j0f h ILE 24 Cb 1.44 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.40 1j0f h ILE 24 CO -0.59 0.00 -0.52 0.11 0.00 0.00 0.00 178.15 177.15 1j0f h LYS 25 N -1.08 -0.09 -0.68 2.37 1.57 -0.35 0.30 116.57 118.62 1j0f h LYS 25 Ca -0.08 0.01 0.11 0.00 -1.87 0.00 0.00 60.65 58.82 1j0f h LYS 25 Cb 0.56 0.02 -0.12 0.00 0.08 0.00 0.00 32.23 32.77 1j0f h LYS 25 CO 0.12 -0.06 -0.39 1.03 -0.57 0.00 0.00 179.45 179.58 1j0f h SER 26 N -0.09 -1.37 -0.89 0.86 0.87 -0.58 0.70 113.55 113.04 1j0f h SER 26 Ca 0.19 0.25 0.19 0.00 -1.23 0.00 0.00 61.79 61.19 1j0f h SER 26 Cb 0.50 0.66 -0.11 0.00 -0.44 0.00 0.00 62.40 63.01 1j0f h SER 26 CO -0.86 -0.31 0.44 1.56 -0.53 0.00 0.00 176.83 177.13 1j0f h GLN 27 N -0.15 0.51 0.43 2.24 4.20 -0.04 0.96 115.11 123.27 1j0f h GLN 27 Ca 0.23 -0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.89 1j0f h GLN 27 Cb 0.56 -0.12 0.00 0.00 0.30 0.00 0.00 27.48 28.23 1j0f h GLN 27 CO -0.75 0.34 -0.21 1.96 -0.67 0.00 0.00 178.83 179.50 1j0f h GLN 28 N 0.53 -0.56 -0.68 1.46 4.20 0.18 0.41 115.11 120.65 1j0f h GLN 28 Ca 0.53 0.04 0.09 0.00 0.06 0.00 0.00 58.65 59.36 1j0f h GLN 28 Cb 0.89 0.13 -0.07 0.00 0.30 0.00 0.00 27.48 28.73 1j0f h GLN 28 CO -0.45 -0.25 0.33 0.77 -0.67 0.00 0.00 178.83 178.56 1j0f h SER 29 N -0.88 0.43 0.95 1.46 0.02 0.75 -1.74 113.55 114.53 1j0f h SER 29 Ca -0.06 0.06 -0.05 0.00 -0.84 0.00 0.00 61.79 60.91 1j0f h SER 29 Cb 0.56 -0.01 0.01 0.00 0.14 0.00 0.00 62.40 63.10 1j0f h SER 29 CO 0.10 0.25 -0.49 -0.33 -1.14 0.00 0.00 176.83 175.22 1j0f h GLU 30 N 0.57 -1.26 -0.98 3.45 5.08 0.98 0.33 114.58 122.75 1j0f h GLU 30 Ca 0.34 0.09 0.11 0.00 -1.00 0.00 0.00 59.36 58.89 1j0f h GLU 30 Cb 0.35 0.29 -0.13 0.00 0.50 0.00 0.00 28.75 29.75 1j0f h GLU 30 CO -0.26 -0.84 -0.52 0.28 -1.00 0.00 0.00 179.01 176.66 1j0f h VAL 31 N -1.31 0.00 -0.97 3.13 2.07 -0.55 1.22 116.25 119.85 1j0f h VAL 31 Ca -0.13 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.42 1j0f h VAL 31 Cb 1.02 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 30.73 1j0f h VAL 31 CO 0.19 0.00 0.64 0.71 0.02 0.00 0.00 177.57 179.13 1j0f h THR 32 N -0.01 1.18 0.11 2.57 1.35 -1.21 0.14 112.91 117.04 1j0f h THR 32 Ca 0.22 -0.42 0.01 0.00 -0.55 0.00 0.00 66.41 65.66 1j0f h THR 32 Cb 0.48 -0.17 -0.02 0.00 -1.73 0.00 0.00 68.15 66.71 1j0f h THR 32 CO -0.94 0.23 -0.15 -0.09 -0.25 0.00 0.00 175.52 174.32 1j0f h ARG 33 N 1.24 -0.29 -0.18 4.72 2.43 0.52 1.45 114.38 124.27 1j0f h ARG 33 Ca 0.38 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.57 1j0f h ARG 33 Cb -0.01 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1j0f h ARG 33 CO -0.11 -0.19 0.10 0.82 -1.51 0.00 0.00 179.97 179.07 1j0f h ILE 34 N -0.30 1.10 -0.98 1.20 5.03 0.59 -1.37 117.51 122.78 1j0f h ILE 34 Ca 0.01 -0.27 0.01 0.00 -0.12 0.00 0.00 64.86 64.50 1j0f h ILE 34 Cb 0.31 0.96 -0.05 0.00 -3.03 0.00 0.00 36.82 35.00 1j0f h ILE 34 CO -0.06 0.09 0.65 -0.07 -0.68 0.00 0.00 178.15 178.08 1j0f h LEU 35 N 0.19 1.12 -0.40 1.44 3.38 -0.40 0.27 115.31 120.90 1j0f h LEU 35 Ca 0.06 -0.03 0.05 0.00 0.09 0.00 0.00 57.88 58.06 1j0f h LEU 35 Cb 0.06 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 1j0f h LEU 35 CO -0.01 0.80 0.14 -0.78 0.09 0.00 0.00 178.44 178.68 1j0f h ASP 36 N 1.31 0.15 -0.37 -0.43 1.82 0.26 0.27 116.42 119.44 1j0f h ASP 36 Ca 0.36 0.05 -0.14 0.00 -0.39 0.00 0.00 57.03 56.91 1j0f h ASP 36 Cb -0.13 0.03 -0.01 0.00 0.68 0.00 0.00 39.33 39.90 1j0f h ASP 36 CO -0.09 0.12 -0.30 1.23 -1.61 0.00 0.00 179.24 178.59 1j0f h GLY 37 N 0.30 0.97 2.00 -0.78 0.00 -0.42 -2.21 103.07 102.94 1j0f h GLY 37 Ca 0.19 -0.92 0.00 0.00 0.00 0.00 0.00 47.33 46.60 1j0f h GLY 37 CO -0.19 0.83 0.00 0.28 0.00 0.00 0.00 176.54 177.46 1j0f n LYS 38 N -4.08 0.15 -3.65 4.80 5.02 0.88 -4.86 118.16 116.42 1j0f n LYS 38 Ca -0.01 0.42 -0.25 0.00 -2.02 0.00 0.00 58.31 56.46 1j0f n LYS 38 Cb 0.50 -1.80 0.07 0.00 -0.02 0.00 0.00 35.03 33.77 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 -2.08 -7.44 -3.23 1.97 5.12 0.88 -4.96 116.66 106.91 1j0f n ARG 39 Ca 0.02 0.79 -0.38 0.00 -1.93 0.00 0.00 57.85 56.35 1j0f n ARG 39 Cb 0.19 -5.81 -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 -3.32 4.69 -0.44 0.55 1.01 -0.85 -5.03 121.20 117.81 1j0f s ILE 40 Ca 0.56 1.20 -0.25 0.00 0.00 0.00 0.00 60.65 62.16 1j0f s ILE 40 Cb -0.25 -3.88 0.02 0.00 0.01 0.00 0.00 42.46 38.36 1j0f s ILE 40 CO 0.75 0.43 0.88 -1.10 0.00 0.00 0.00 174.94 175.90 1j0f s GLN 41 N -1.44 3.54 0.28 2.79 -1.52 -1.26 -4.84 119.66 117.21 1j0f s GLN 41 Ca 0.34 0.14 -0.04 0.00 -1.95 0.00 0.00 55.36 53.85 1j0f s GLN 41 Cb -0.18 -3.91 -0.01 0.00 -0.22 0.00 0.00 33.01 28.68 1j0f s GLN 41 CO 0.20 -1.15 0.38 1.52 -0.25 0.00 0.00 175.29 175.99 1j0f s TYR 42 N 3.58 0.94 -0.02 0.91 -0.85 -1.26 -3.97 117.35 116.68 1j0f s TYR 42 Ca 0.35 -1.18 0.03 0.00 -0.52 0.00 0.00 57.07 55.75 1j0f s TYR 42 Cb -0.11 -0.16 -0.00 0.00 0.38 0.00 0.00 41.96 42.07 1j0f s TYR 42 CO 0.24 -0.96 -0.11 -1.14 -1.52 0.00 0.00 175.55 172.07 1j0f s GLN 43 N -3.61 1.01 -0.31 -3.49 0.74 0.24 -4.98 119.66 109.26 1j0f s GLN 43 Ca 0.31 -0.37 -0.27 0.00 0.05 0.00 0.00 55.36 55.08 1j0f s GLN 43 Cb 0.01 -0.95 0.01 0.00 1.10 0.00 0.00 33.01 33.19 1j0f s GLN 43 CO 0.16 0.17 0.98 -1.17 -0.55 0.00 0.00 175.29 174.88 1j0f s LEU 44 N 0.01 4.00 -0.43 3.68 2.96 -1.26 -0.34 118.68 127.30 1j0f s LEU 44 Ca -0.00 0.95 -0.16 0.00 -0.22 0.00 0.00 54.13 54.70 1j0f s LEU 44 Cb -0.07 -3.39 0.04 0.00 0.50 0.00 0.00 46.19 43.26 1j0f s LEU 44 CO 0.00 -0.78 0.37 -0.69 -1.32 0.00 0.00 176.35 173.93 1j0f s VAL 45 N 3.39 5.21 -0.54 1.68 1.01 0.39 -4.92 120.40 126.61 1j0f s VAL 45 Ca 0.41 -0.71 -0.26 0.00 0.00 0.00 0.00 61.98 61.42 1j0f s VAL 45 Cb -0.13 -4.02 0.03 0.00 0.00 0.00 0.00 36.38 32.26 1j0f s VAL 45 CO 0.14 -0.43 1.04 -0.62 0.00 0.00 0.00 175.10 175.23 1j0f s ASP 46 N 2.00 6.42 0.06 3.32 -1.08 -1.25 -0.58 116.67 125.55 1j0f s ASP 46 Ca 0.06 -0.08 -0.17 0.00 -0.52 0.00 0.00 52.55 51.85 1j0f s ASP 46 Cb -0.20 -2.48 -0.16 0.00 -1.46 0.00 0.00 42.92 38.62 1j0f s ASP 46 CO 0.10 -1.29 1.28 0.16 0.52 0.00 0.00 175.17 175.94 1j0f h ILE 47 N 6.09 1.34 -1.09 4.11 3.07 -1.81 -2.99 117.51 126.24 1j0f h ILE 47 Ca -0.25 -1.77 0.31 0.00 1.55 0.00 0.00 64.86 64.71 1j0f h ILE 47 Cb 1.07 2.04 -0.04 0.00 -0.27 0.00 0.00 36.82 39.61 1j0f h ILE 47 CO 1.11 0.54 1.12 0.77 -1.05 0.00 0.00 178.15 180.65 1j0f h SER 48 N 0.24 0.00 -0.95 2.16 4.64 -1.90 1.14 113.55 118.88 1j0f h SER 48 Ca -0.02 0.00 0.17 0.00 -0.47 0.00 0.00 61.79 61.47 1j0f h SER 48 Cb 1.12 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.13 1j0f h SER 48 CO 0.10 0.00 0.60 1.56 -0.87 0.00 0.00 176.83 178.23 1j0f h GLN 49 N 0.00 0.68 -3.71 4.77 1.08 -1.91 -3.43 115.11 112.58 1j0f h GLN 49 Ca 0.52 -0.04 -0.08 0.00 -1.45 0.00 0.00 58.65 57.60 1j0f h GLN 49 Cb 2.76 -0.15 -0.13 0.00 -0.05 0.00 0.00 27.48 29.90 1j0f h GLN 49 CO -0.01 0.45 -0.27 0.34 -0.95 0.00 0.00 178.83 178.39 1j0f s ASP 50 N -5.60 0.00 0.04 1.46 -1.08 0.39 -5.05 116.67 106.83 1j0f s ASP 50 Ca -0.10 -0.64 -0.13 0.00 -0.52 0.00 0.00 52.55 51.15 1j0f s ASP 50 Cb 0.23 0.41 -0.34 0.00 -1.46 0.00 0.00 42.92 41.76 1j0f s ASP 50 CO 0.80 -0.83 1.02 0.78 0.52 0.00 0.00 175.17 177.46 1j0f h ASN 51 N 2.57 0.76 -0.07 -0.34 4.21 -1.84 -3.15 115.58 117.72 1j0f h ASN 51 Ca -0.33 -0.82 0.02 0.00 1.21 0.00 0.00 56.30 56.38 1j0f h ASN 51 Cb 1.22 -0.25 -0.00 0.00 -1.12 0.00 0.00 38.32 38.17 1j0f h ASN 51 CO 0.51 1.64 0.22 0.00 -1.29 0.00 0.00 177.43 178.50 1j0f h ALA 52 N 0.24 1.39 -0.51 -0.83 0.00 -1.97 -2.59 119.26 115.00 1j0f h ALA 52 Ca -0.24 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1j0f h ALA 52 Cb 2.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.93 1j0f h ALA 52 CO 0.26 -0.25 0.00 1.28 0.00 0.00 0.00 179.25 180.54 1j0f n LEU 53 N -3.20 0.12 -0.36 0.00 7.99 -1.19 0.09 117.00 120.45 1j0f n LEU 53 Ca -0.01 0.80 -0.06 0.00 -0.01 0.00 0.00 56.01 56.73 1j0f n LEU 53 Cb 0.29 -0.42 -0.03 0.00 -0.11 0.00 0.00 43.42 43.16 1j0f n LEU 53 CO 0.19 -0.42 0.47 -1.14 -1.51 0.00 0.00 177.39 174.99 1j0f n ARG 54 N -1.75 -0.31 -0.01 3.23 0.63 -0.99 0.84 116.66 118.31 1j0f n ARG 54 Ca 0.00 1.35 -0.09 0.00 -0.92 0.00 0.00 57.85 58.19 1j0f n ARG 54 Cb 0.00 -1.99 -0.03 0.00 0.45 0.00 0.00 32.46 30.89 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 -0.41 -0.59 6.15 3.58 -1.57 0.97 116.42 124.56 1j0f h ASP 55 Ca 0.22 0.08 0.12 0.00 0.42 0.00 0.00 57.03 57.86 1j0f h ASP 55 Cb 0.44 0.20 -0.11 0.00 1.72 0.00 0.00 39.33 41.58 1j0f h ASP 55 CO -0.85 -0.17 -0.19 -0.33 -2.88 0.00 0.00 179.24 174.82 1j0f h GLU 56 N -0.15 -0.04 -0.73 0.28 5.08 0.45 0.30 114.58 119.76 1j0f h GLU 56 Ca 0.09 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1j0f h GLU 56 Cb 0.29 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.51 1j0f h GLU 56 CO -0.23 -0.03 0.42 1.98 -1.00 0.00 0.00 179.01 180.16 1j0f h MET 57 N -0.04 1.01 -0.69 2.33 4.05 0.36 -0.18 114.93 121.76 1j0f h MET 57 Ca 0.28 -0.11 0.02 0.00 -0.28 0.00 0.00 59.70 59.61 1j0f h MET 57 Cb 0.47 -0.20 -0.04 0.00 -0.80 0.00 0.00 31.60 31.02 1j0f h MET 57 CO -0.63 0.74 0.44 0.00 0.23 0.00 0.00 176.91 177.69 1j0f h ARG 58 N 1.01 0.84 -0.23 0.39 3.08 0.17 0.45 114.38 120.10 1j0f h ARG 58 Ca 0.26 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.23 1j0f h ARG 58 Cb 0.00 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.85 1j0f h ARG 58 CO -0.05 0.56 0.02 1.15 -1.07 0.00 0.00 179.97 180.59 1j0f h THR 59 N 0.87 1.24 0.07 2.04 2.02 -0.07 0.19 112.91 119.27 1j0f h THR 59 Ca 0.27 -0.81 -0.00 0.00 0.77 0.00 0.00 66.41 66.64 1j0f h THR 59 Cb -0.02 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 1j0f h THR 59 CO -0.09 0.25 -0.03 -0.07 0.37 0.00 0.00 175.52 175.94 1j0f h LEU 60 N 0.18 -0.08 0.41 2.58 3.38 -0.61 -3.02 115.31 118.15 1j0f h LEU 60 Ca 0.07 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 1j0f h LEU 60 Cb 0.35 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1j0f h LEU 60 CO 0.01 -0.05 -0.40 0.00 0.09 0.00 0.00 178.44 178.09 1j0f h ALA 61 N 0.82 -0.88 0.00 1.53 0.00 -0.04 -3.46 119.26 117.23 1j0f h ALA 61 Ca -0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1j0f h ALA 61 Cb 0.08 0.57 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1j0f h ALA 61 CO 0.02 -1.03 0.00 0.41 0.00 0.00 0.00 179.25 178.64 1j0f n GLY 62 N -1.50 0.91 3.62 0.00 0.00 0.46 -5.05 105.19 103.62 1j0f n GLY 62 Ca -0.11 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.77 -0.34 0.21 1.61 2.47 0.01 -5.03 114.94 112.09 1j0f s ASN 63 Ca 0.00 0.53 0.07 0.00 0.42 0.00 0.00 52.86 53.88 1j0f s ASN 63 Cb 0.00 1.16 0.12 0.00 -1.45 0.00 0.00 41.25 41.08 1j0f s ASN 63 CO 0.00 -0.08 1.47 1.55 -3.72 0.00 0.00 177.10 176.32 1j0f h PRO 64 N 5.84 0.08 -1.49 0.43 0.13 -1.96 -3.16 132.00 131.87 1j0f h PRO 64 Ca -0.26 -0.08 -0.45 0.00 -0.87 0.00 0.00 66.00 64.34 1j0f h PRO 64 Cb 1.17 0.02 -0.18 0.00 0.13 0.00 0.00 31.00 32.14 1j0f h PRO 64 CO 0.20 0.81 0.55 1.63 -0.23 0.00 0.00 178.00 180.96 1j0f n LYS 65 N -3.68 2.13 -2.81 0.86 4.76 -1.26 -4.92 118.16 113.24 1j0f n LYS 65 Ca -0.02 -2.15 -0.19 0.00 -2.87 0.00 0.00 58.31 53.08 1j0f n LYS 65 Cb 0.74 -1.87 0.03 0.00 -1.84 0.00 0.00 35.03 32.08 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 -2.36 4.20 0.15 7.82 0.00 -1.19 -5.13 121.76 125.24 1j0f s ALA 66 Ca 0.44 -1.50 -0.16 0.00 0.00 0.00 0.00 51.96 50.73 1j0f s ALA 66 Cb 0.33 -1.86 0.03 0.00 0.00 0.00 0.00 23.12 21.62 1j0f s ALA 66 CO -0.05 -0.55 0.44 0.95 0.00 0.00 0.00 175.76 176.55 1j0f s THR 67 N -2.58 0.05 0.85 0.00 -4.23 -1.26 -4.99 115.64 103.48 1j0f s THR 67 Ca 0.57 -0.63 -0.12 0.00 -1.18 0.00 0.00 61.69 60.33 1j0f s THR 67 Cb -0.10 -1.29 0.10 0.00 1.34 0.00 0.00 72.50 72.55 1j0f s THR 67 CO 0.36 -0.25 1.12 -2.16 -0.54 0.00 0.00 174.62 173.15 1j0f s PRO 68 N -3.83 1.65 0.57 3.99 0.04 -1.26 -4.68 135.00 131.49 1j0f s PRO 68 Ca 0.05 0.48 -0.10 0.00 0.04 0.00 0.00 61.00 61.47 1j0f s PRO 68 Cb 0.01 -1.88 0.14 0.00 0.04 0.00 0.00 34.50 32.81 1j0f s PRO 68 CO -0.09 -1.88 0.63 -0.35 0.04 0.00 0.00 177.00 175.35 1j0f n PRO 69 N -3.58 -1.40 -3.39 0.56 -0.04 -1.26 -4.85 135.00 121.05 1j0f n PRO 69 Ca 0.07 -0.99 -0.01 0.00 -0.04 0.00 0.00 63.50 62.52 1j0f n PRO 69 Cb 0.58 -0.78 -0.04 0.00 -0.04 0.00 0.00 33.50 33.21 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 -4.40 0.50 -0.02 0.54 2.00 -0.95 -4.25 119.66 113.08 1j0f s GLN 70 Ca 0.38 1.05 -0.21 0.00 -2.00 0.00 0.00 55.36 54.58 1j0f s GLN 70 Cb -0.02 0.44 -0.05 0.00 0.80 0.00 0.00 33.01 34.18 1j0f s GLN 70 CO 0.28 -0.46 0.63 0.42 -0.50 0.00 0.00 175.29 175.65 1j0f s ILE 71 N 2.79 4.94 0.01 -2.34 1.09 -1.00 -0.57 121.20 126.12 1j0f s ILE 71 Ca 0.09 1.31 0.02 0.00 -1.10 0.00 0.00 60.65 60.98 1j0f s ILE 71 Cb -0.14 -3.97 -0.01 0.00 -1.06 0.00 0.00 42.46 37.28 1j0f s ILE 71 CO -0.18 0.37 -0.08 -0.69 -0.10 0.00 0.00 174.94 174.25 1j0f s VAL 72 N 0.10 0.62 -0.35 2.92 1.01 0.60 -1.59 120.40 123.71 1j0f s VAL 72 Ca 0.33 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.78 1j0f s VAL 72 Cb -0.18 -0.55 0.08 0.00 0.00 0.00 0.00 36.38 35.72 1j0f s VAL 72 CO 0.17 0.05 0.09 0.20 0.00 0.00 0.00 175.10 175.62 1j0f s ASN 73 N -0.51 5.05 0.00 3.32 -0.87 0.85 -0.11 114.94 122.67 1j0f s ASN 73 Ca 0.00 -1.65 0.00 0.00 -1.57 0.00 0.00 52.86 49.65 1j0f s ASN 73 Cb -0.05 -1.76 0.00 0.00 -0.02 0.00 0.00 41.25 39.43 1j0f s ASN 73 CO 0.00 -0.39 0.00 0.61 -2.57 0.00 0.00 177.10 174.75 1j0f n GLY 74 N 4.59 0.25 0.00 0.66 0.00 0.39 0.18 105.19 111.25 1j0f n GLY 74 Ca -0.07 0.67 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 1.71 0.72 -4.85 1.61 6.94 -1.26 -4.94 115.26 115.18 1j0f n ASN 75 Ca 0.00 -1.34 -0.25 0.00 -0.02 0.00 0.00 54.58 52.97 1j0f n ASN 75 Cb 0.00 0.00 -0.04 0.00 -2.36 0.00 0.00 39.78 37.38 1j0f n ASN 75 CO 0.00 0.00 0.00 -1.00 -1.03 0.00 0.00 177.26 175.23 1j0f s HIS 76 N -0.34 3.25 -0.46 -2.53 3.76 0.49 -5.08 115.29 114.39 1j0f s HIS 76 Ca 0.00 0.01 -0.13 0.00 -0.15 0.00 0.00 55.06 54.79 1j0f s HIS 76 Cb 0.00 -1.55 0.08 0.00 1.11 0.00 0.00 32.58 32.22 1j0f s HIS 76 CO 0.00 0.51 0.35 -0.47 -0.85 0.00 0.00 174.74 174.29 1j0f s TYR 77 N -1.80 3.28 0.00 1.40 5.04 -1.26 -0.10 117.35 123.91 1j0f s TYR 77 Ca 0.32 -1.19 0.00 0.00 -2.44 0.00 0.00 57.07 53.76 1j0f s TYR 77 Cb -0.10 -3.14 0.00 0.00 0.35 0.00 0.00 41.96 39.07 1j0f s TYR 77 CO 0.25 -0.83 0.88 0.00 -1.34 0.00 0.00 175.55 174.51 1j0f n GLY 79 N -0.90 -0.55 3.97 0.00 0.00 -1.14 -4.93 105.19 101.64 1j0f n GLY 79 Ca 0.00 -0.80 -0.19 0.00 0.00 0.00 0.00 46.02 45.03 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 5.31 0.18 1.61 -4.77 -1.26 -2.36 116.67 111.37 1j0f s ASP 80 Ca 0.00 -0.66 -0.21 0.00 -3.30 0.00 0.00 52.55 48.39 1j0f s ASP 80 Cb 0.00 -0.34 0.10 0.00 -1.09 0.00 0.00 42.92 41.59 1j0f s ASP 80 CO 0.00 -0.89 1.61 0.22 0.70 0.00 0.00 175.17 176.80 1j0f h TYR 81 N 0.64 -0.75 -0.63 2.11 5.03 -1.93 0.24 116.97 121.69 1j0f h TYR 81 Ca -0.38 0.06 0.13 0.00 2.58 0.00 0.00 58.73 61.12 1j0f h TYR 81 Cb 1.28 0.40 -0.10 0.00 1.55 0.00 0.00 36.73 39.86 1j0f h TYR 81 CO 0.48 -0.35 0.08 0.93 -1.32 0.00 0.00 178.16 177.98 1j0f h GLU 82 N -0.18 0.19 0.08 1.82 5.08 -1.96 0.30 114.58 119.92 1j0f h GLU 82 Ca 0.20 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1j0f h GLU 82 Cb 0.51 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1j0f h GLU 82 CO -0.56 0.13 -0.04 -0.07 -1.00 0.00 0.00 179.01 177.46 1j0f h LEU 83 N 0.20 -0.09 0.16 1.33 4.07 -1.35 -0.11 115.31 119.51 1j0f h LEU 83 Ca 0.33 -0.01 0.02 0.00 0.08 0.00 0.00 57.88 58.30 1j0f h LEU 83 Cb 0.53 0.02 -0.04 0.00 1.08 0.00 0.00 40.66 42.25 1j0f h LEU 83 CO -0.47 -0.06 -0.44 0.15 -1.08 0.00 0.00 178.44 176.54 1j0f h PHE 84 N -0.12 -1.23 0.05 1.13 3.57 0.93 -1.13 116.94 120.14 1j0f h PHE 84 Ca -0.01 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.53 1j0f h PHE 84 Cb 0.10 0.52 -0.05 0.00 2.79 0.00 0.00 35.95 39.31 1j0f h PHE 84 CO -0.07 -0.54 -0.50 0.28 -2.23 0.00 0.00 178.31 175.25 1j0f h VAL 85 N -0.70 0.00 -0.92 1.41 2.07 -0.38 0.37 116.25 118.11 1j0f h VAL 85 Ca 0.01 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.65 1j0f h VAL 85 Cb 0.71 0.00 -0.13 0.00 -1.52 0.00 0.00 31.29 30.34 1j0f h VAL 85 CO -0.23 0.00 -0.43 1.21 0.02 0.00 0.00 177.57 178.14 1j0f n GLU 86 N -5.26 -0.29 0.09 1.57 0.00 -0.06 0.57 120.64 117.25 1j0f n GLU 86 Ca -0.07 1.41 -0.12 0.00 0.00 0.00 0.00 57.16 58.37 1j0f n GLU 86 Cb 0.38 -2.08 -0.06 0.00 0.00 0.00 0.00 31.44 29.68 1j0f n GLU 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1j0f h ALA 87 N 0.95 -0.20 -0.33 4.31 0.00 -0.42 0.14 119.26 123.69 1j0f h ALA 87 Ca 0.25 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.19 1j0f h ALA 87 Cb 0.48 0.18 -0.08 0.00 0.00 0.00 0.00 17.79 18.37 1j0f h ALA 87 CO -0.90 -0.64 -0.52 0.28 0.00 0.00 0.00 179.25 177.48 1j0f h VAL 88 N -0.24 0.03 0.29 0.00 2.07 0.43 0.17 116.25 119.00 1j0f h VAL 88 Ca 0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1j0f h VAL 88 Cb 0.25 0.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.01 1j0f h VAL 88 CO -0.06 0.00 -0.51 -0.33 0.02 0.00 0.00 177.57 176.69 1j0f h GLU 89 N -0.43 -0.83 -0.69 1.57 5.08 0.39 0.13 114.58 119.79 1j0f h GLU 89 Ca 0.08 0.06 0.20 0.00 -1.00 0.00 0.00 59.36 58.70 1j0f h GLU 89 Cb 0.62 0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.03 1j0f h GLU 89 CO -0.55 -0.55 0.85 1.96 -1.00 0.00 0.00 179.01 179.72 1j0f h GLN 90 N -0.86 0.00 0.00 2.33 1.08 -0.02 -3.43 115.11 114.21 1j0f h GLN 90 Ca -0.03 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.17 1j0f h GLN 90 Cb 0.81 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.24 1j0f h GLN 90 CO -0.19 0.00 0.00 -3.47 -0.95 0.00 0.00 178.83 174.22 1j0f n ASP 91 N -3.39 -1.49 -2.55 1.46 -0.08 0.48 -4.96 116.55 106.02 1j0f n ASP 91 Ca 0.15 0.00 -0.11 0.00 -1.51 0.00 0.00 54.79 53.32 1j0f n ASP 91 Cb 1.08 -0.46 0.03 0.00 2.34 0.00 0.00 41.12 44.11 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 -3.53 1.68 -0.15 5.18 -2.24 -0.45 -4.84 114.28 109.94 1j0f n THR 92 Ca 0.00 -3.51 -0.06 0.00 -2.27 0.00 0.00 64.05 58.22 1j0f n THR 92 Cb 0.32 0.26 0.12 0.00 -2.10 0.00 0.00 70.33 68.94 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 2.56 0.85 -2.04 3.22 5.85 -1.83 -1.84 115.31 122.08 1j0f h LEU 93 Ca 0.05 -0.21 0.13 0.00 0.84 0.00 0.00 57.88 58.69 1j0f h LEU 93 Cb 1.29 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 1j0f h LEU 93 CO 0.46 0.91 0.38 1.56 -0.34 0.00 0.00 178.44 181.40 1j0f h GLN 94 N 0.83 0.00 0.05 1.25 4.20 -1.92 -1.44 115.11 118.08 1j0f h GLN 94 Ca 0.16 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.87 1j0f h GLN 94 Cb 0.46 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1j0f h GLN 94 CO 0.02 0.00 -0.03 0.93 -0.67 0.00 0.00 178.83 179.08 1j0f h GLU 95 N 0.00 -0.07 -0.98 1.46 5.08 -1.50 -1.47 114.58 117.10 1j0f h GLU 95 Ca 0.20 0.00 0.32 0.00 -1.00 0.00 0.00 59.36 58.89 1j0f h GLU 95 Cb 0.95 0.02 -0.18 0.00 0.50 0.00 0.00 28.75 30.04 1j0f h GLU 95 CO -0.00 -0.05 0.23 0.35 -1.00 0.00 0.00 179.01 178.55 1j0f h PHE 96 N -0.79 0.31 -0.76 4.33 3.57 -1.17 -3.39 116.94 119.04 1j0f h PHE 96 Ca -0.01 0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1j0f h PHE 96 Cb 0.05 0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.82 1j0f h PHE 96 CO 0.00 -0.42 0.00 1.28 -2.23 0.00 0.00 178.31 176.94 1j0f n LEU 97 N -5.38 0.00 -2.11 0.59 4.77 -0.58 -4.82 117.00 109.47 1j0f n LEU 97 Ca 0.28 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 56.00 1j0f n LEU 97 Cb 0.94 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 42.05 1j0f n LEU 97 CO -0.02 -0.14 0.42 0.29 -1.33 0.00 0.00 177.39 176.61 1j0f n LYS 98 N -0.01 3.44 -0.11 3.23 4.01 -1.26 -4.62 118.16 122.83 1j0f n LYS 98 Ca 0.00 -4.03 -0.23 0.00 -0.51 0.00 0.00 58.31 53.55 1j0f n LYS 98 Cb 0.00 -2.28 -0.12 0.00 -0.51 0.00 0.00 35.03 32.12 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 -0.73 2.47 0.00 -0.35 4.32 -1.19 -5.05 117.00 116.47 1j0f n LEU 99 Ca 0.47 0.13 0.00 0.00 -0.02 0.00 0.00 56.01 56.60 1j0f n LEU 99 Cb 0.89 -0.93 0.00 0.00 -1.62 0.00 0.00 43.42 41.76 1j0f n LEU 99 CO 0.47 0.74 0.00 0.00 -1.22 0.00 0.00 177.39 177.37