#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j0f s SER 2 N 0.00 1.42 0.04 1.61 0.15 -1.26 -5.16 113.70 110.50 1j0f s SER 2 Ca 0.00 -0.72 -0.03 0.00 0.70 0.00 0.00 55.95 55.90 1j0f s SER 2 Cb 0.00 -0.00 -0.02 0.00 -1.71 0.00 0.00 66.02 64.29 1j0f s SER 2 CO 0.00 -0.20 0.03 -1.61 1.20 0.00 0.00 173.24 172.66 1j0f s GLU 3 N -2.31 0.53 0.00 5.44 2.02 -1.26 -5.05 118.70 118.06 1j0f s GLU 3 Ca 0.01 -0.84 0.00 0.00 0.02 0.00 0.00 54.97 54.16 1j0f s GLU 3 Cb -0.06 0.20 0.00 0.00 0.10 0.00 0.00 34.13 34.37 1j0f s GLU 3 CO 0.01 -0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.58 1j0f n GLY 4 N 0.80 -1.98 1.45 -1.39 0.00 -1.26 -5.17 105.19 97.64 1j0f n GLY 4 Ca -0.19 0.58 0.18 0.00 0.00 0.00 0.00 46.02 46.59 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 -1.98 -3.81 -2.29 4.61 0.00 -1.26 -4.97 120.51 110.81 1j0f n ALA 5 Ca 0.00 0.89 -0.24 0.00 0.00 0.00 0.00 53.44 54.09 1j0f n ALA 5 Cb 0.00 -1.56 -0.00 0.00 0.00 0.00 0.00 19.45 17.88 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 -4.06 4.35 -0.30 0.00 0.00 -1.26 -5.14 121.76 115.36 1j0f s ALA 6 Ca 0.00 -1.59 -0.11 0.00 0.00 0.00 0.00 51.96 50.26 1j0f s ALA 6 Cb 0.00 -0.91 0.14 0.00 0.00 0.00 0.00 23.12 22.35 1j0f s ALA 6 CO 0.00 -0.44 0.72 -0.08 0.00 0.00 0.00 175.76 175.96 1j0f s THR 7 N -2.67 -0.90 -0.76 0.00 -1.32 -1.26 -5.11 115.64 103.63 1j0f s THR 7 Ca 0.42 0.00 -0.15 0.00 -1.21 0.00 0.00 61.69 60.75 1j0f s THR 7 Cb -0.03 -1.00 0.18 0.00 -1.51 0.00 0.00 72.50 70.15 1j0f s THR 7 CO 0.26 0.00 0.74 -0.04 -2.21 0.00 0.00 174.62 173.37 1j0f s MET 8 N 2.81 3.43 -0.01 7.08 -1.94 -1.26 -5.03 119.30 124.38 1j0f s MET 8 Ca -0.05 -2.15 0.00 0.00 -1.71 0.00 0.00 55.69 51.78 1j0f s MET 8 Cb -0.11 -4.43 -0.04 0.00 2.01 0.00 0.00 34.83 32.26 1j0f s MET 8 CO -0.19 -1.36 0.04 -1.12 -0.01 0.00 0.00 175.02 172.38 1j0f s SER 9 N 2.71 5.37 -1.07 3.03 0.01 -1.26 -5.05 113.70 117.45 1j0f s SER 9 Ca 0.16 0.07 -0.06 0.00 1.31 0.00 0.00 55.95 57.43 1j0f s SER 9 Cb -0.15 -1.47 0.29 0.00 0.21 0.00 0.00 66.02 64.89 1j0f s SER 9 CO -0.05 0.28 1.25 0.61 0.41 0.00 0.00 173.24 175.74 1j0f n GLY 10 N 1.36 4.67 3.74 3.44 0.00 -1.26 -4.84 105.19 112.29 1j0f n GLY 10 Ca -0.14 -2.63 -0.41 0.00 0.00 0.00 0.00 46.02 42.84 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 -2.03 4.49 -0.06 0.99 1.98 -1.21 -0.33 118.68 122.51 1j0f s LEU 11 Ca 0.31 2.18 0.01 0.00 -2.89 0.00 0.00 54.13 53.74 1j0f s LEU 11 Cb -0.02 -3.61 0.02 0.00 0.66 0.00 0.00 46.19 43.24 1j0f s LEU 11 CO 0.00 -0.26 -0.05 -0.13 -1.89 0.00 0.00 176.35 174.02 1j0f s ARG 12 N -0.55 0.99 -0.49 1.98 0.52 0.10 0.00 118.95 121.50 1j0f s ARG 12 Ca 0.50 -0.13 -0.09 0.00 -0.52 0.00 0.00 55.73 55.48 1j0f s ARG 12 Cb -0.31 -1.01 0.12 0.00 0.52 0.00 0.00 34.95 34.28 1j0f s ARG 12 CO 0.37 -0.11 0.36 0.08 0.02 0.00 0.00 175.30 176.02 1j0f s VAL 13 N 1.09 4.24 -0.72 3.52 1.01 0.74 -0.65 120.40 129.63 1j0f s VAL 13 Ca -0.08 -1.85 -0.26 0.00 0.00 0.00 0.00 61.98 59.78 1j0f s VAL 13 Cb -0.14 -3.79 0.01 0.00 0.00 0.00 0.00 36.38 32.46 1j0f s VAL 13 CO -0.01 -0.79 1.50 -0.31 0.00 0.00 0.00 175.10 175.50 1j0f s TYR 14 N 1.28 2.08 -0.02 5.22 1.51 -0.08 -0.41 117.35 126.92 1j0f s TYR 14 Ca 0.06 0.19 0.07 0.00 -1.01 0.00 0.00 57.07 56.39 1j0f s TYR 14 Cb -0.26 -4.44 -0.02 0.00 -0.11 0.00 0.00 41.96 37.14 1j0f s TYR 14 CO -0.01 -2.13 -0.22 -1.12 -1.11 0.00 0.00 175.55 170.95 1j0f s SER 15 N 5.39 2.65 0.04 2.29 0.01 0.16 -2.39 113.70 121.85 1j0f s SER 15 Ca 0.47 -0.41 -0.03 0.00 1.31 0.00 0.00 55.95 57.29 1j0f s SER 15 Cb -0.09 -0.38 -0.04 0.00 0.21 0.00 0.00 66.02 65.72 1j0f s SER 15 CO 0.15 0.26 0.23 0.28 0.41 0.00 0.00 173.24 174.57 1j0f s THR 16 N -0.44 5.36 -0.19 1.44 -1.32 -1.26 -3.00 115.64 116.22 1j0f s THR 16 Ca 0.06 -0.15 -0.21 0.00 -1.21 0.00 0.00 61.69 60.18 1j0f s THR 16 Cb -0.09 -3.59 -0.21 0.00 -1.51 0.00 0.00 72.50 67.10 1j0f s THR 16 CO -0.00 0.23 0.31 -1.28 -2.21 0.00 0.00 174.62 171.67 1j0f h SER 17 N 3.46 0.06 0.14 8.08 0.87 -1.96 -3.39 113.55 120.81 1j0f h SER 17 Ca -0.47 -0.62 0.01 0.00 -1.23 0.00 0.00 61.79 59.48 1j0f h SER 17 Cb 1.18 -0.02 -0.05 0.00 -0.44 0.00 0.00 62.40 63.07 1j0f h SER 17 CO 0.71 1.47 -0.53 0.58 -0.53 0.00 0.00 176.83 178.54 1j0f h VAL 18 N -0.87 0.00 -4.21 2.23 2.07 -1.96 -3.46 116.25 110.05 1j0f h VAL 18 Ca -0.31 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 1j0f h VAL 18 Cb 1.36 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 1j0f h VAL 18 CO -0.15 0.00 -0.60 1.07 0.02 0.00 0.00 177.57 177.91 1j0f n THR 19 N -5.46 -1.33 -0.35 2.57 5.66 -1.26 -4.67 114.28 109.45 1j0f n THR 19 Ca -0.09 0.25 0.31 0.00 -3.05 0.00 0.00 64.05 61.48 1j0f n THR 19 Cb 0.41 -1.79 0.65 0.00 -1.55 0.00 0.00 70.33 68.05 1j0f n THR 19 CO 0.00 0.00 0.00 1.23 -3.05 0.00 0.00 175.07 173.25 1j0f h GLY 20 N 2.31 0.64 -1.23 1.09 0.00 -1.97 -3.40 103.07 100.50 1j0f h GLY 20 Ca -0.05 -0.09 -0.46 0.00 0.00 0.00 0.00 47.33 46.73 1j0f h GLY 20 CO 0.02 -0.10 0.20 -0.45 0.00 0.00 0.00 176.54 176.21 1j0f s SER 21 N -5.07 4.43 -0.11 0.19 0.15 -1.26 -5.04 113.70 106.99 1j0f s SER 21 Ca -0.07 0.14 0.03 0.00 0.70 0.00 0.00 55.95 56.76 1j0f s SER 21 Cb 0.25 -0.63 -0.09 0.00 -1.71 0.00 0.00 66.02 63.84 1j0f s SER 21 CO 0.81 -1.83 -0.06 -1.14 1.20 0.00 0.00 173.24 172.22 1j0f n ARG 22 N -2.99 1.01 -0.28 5.44 0.63 -1.26 -4.59 116.66 114.62 1j0f n ARG 22 Ca 0.11 0.05 -0.01 0.00 -0.92 0.00 0.00 57.85 57.08 1j0f n ARG 22 Cb 0.60 -1.25 0.12 0.00 0.45 0.00 0.00 32.46 32.38 1j0f n ARG 22 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1j0f h GLU 23 N 0.00 0.85 -0.63 -0.14 5.08 -1.96 -2.41 114.58 115.37 1j0f h GLU 23 Ca -0.27 -0.05 0.09 0.00 -1.00 0.00 0.00 59.36 58.13 1j0f h GLU 23 Cb 1.48 -0.19 -0.11 0.00 0.50 0.00 0.00 28.75 30.43 1j0f h GLU 23 CO -0.02 0.56 -0.43 0.82 -1.00 0.00 0.00 179.01 178.94 1j0f h ILE 24 N 0.88 0.08 -0.84 3.13 2.04 -1.91 0.01 117.51 120.90 1j0f h ILE 24 Ca 0.34 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.28 1j0f h ILE 24 Cb 0.15 0.08 -0.11 0.00 -0.74 0.00 0.00 36.82 36.21 1j0f h ILE 24 CO -0.16 0.00 -0.54 0.11 0.00 0.00 0.00 178.15 177.55 1j0f h LYS 25 N -0.19 -0.06 -0.96 2.37 1.57 -1.69 0.24 116.57 117.84 1j0f h LYS 25 Ca 0.20 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 59.10 1j0f h LYS 25 Cb 0.56 0.01 -0.13 0.00 0.08 0.00 0.00 32.23 32.75 1j0f h LYS 25 CO -0.72 -0.04 -0.47 0.43 -0.57 0.00 0.00 179.45 178.07 1j0f n SER 26 N -5.11 -0.82 -0.28 0.86 7.64 -0.05 0.16 113.62 116.02 1j0f n SER 26 Ca 0.01 1.69 0.07 0.00 1.01 0.00 0.00 58.87 61.65 1j0f n SER 26 Cb 0.25 -0.30 0.22 0.00 -1.01 0.00 0.00 64.21 63.37 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 0.48 -0.01 1.43 4.20 -0.16 1.49 115.11 122.53 1j0f h GLN 27 Ca 0.24 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.92 1j0f h GLN 27 Cb 0.48 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.15 1j0f h GLN 27 CO -0.92 0.32 -0.00 1.96 -0.67 0.00 0.00 178.83 179.51 1j0f h GLN 28 N 0.49 0.03 -0.71 1.46 4.20 0.31 -1.82 115.11 119.07 1j0f h GLN 28 Ca 0.45 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 59.15 1j0f h GLN 28 Cb 0.71 -0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.45 1j0f h GLN 28 CO -0.41 0.34 0.41 0.77 -0.67 0.00 0.00 178.83 179.26 1j0f h SER 29 N -0.29 0.87 0.07 1.46 0.02 0.21 -1.71 113.55 114.18 1j0f h SER 29 Ca 0.00 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1j0f h SER 29 Cb 0.32 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 62.64 1j0f h SER 29 CO 0.00 0.70 -0.07 -0.33 -1.14 0.00 0.00 176.83 175.99 1j0f h GLU 30 N 0.97 -0.14 -0.74 3.45 4.39 0.21 0.22 114.58 122.95 1j0f h GLU 30 Ca 0.25 0.01 0.08 0.00 0.34 0.00 0.00 59.36 60.05 1j0f h GLU 30 Cb 0.01 0.03 -0.11 0.00 -0.10 0.00 0.00 28.75 28.58 1j0f h GLU 30 CO -0.04 -0.09 -0.53 0.28 -1.16 0.00 0.00 179.01 177.46 1j0f h VAL 31 N -0.14 0.02 -1.02 3.13 2.07 -1.32 1.53 116.25 120.52 1j0f h VAL 31 Ca -0.01 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.79 1j0f h VAL 31 Cb 0.12 0.02 -0.06 0.00 -1.52 0.00 0.00 31.29 29.85 1j0f h VAL 31 CO -0.01 0.00 0.70 0.71 0.02 0.00 0.00 177.57 178.99 1j0f h THR 32 N -0.16 0.52 0.57 2.57 1.35 -1.19 0.35 112.91 116.92 1j0f h THR 32 Ca 0.16 -0.06 -0.03 0.00 -0.55 0.00 0.00 66.41 65.93 1j0f h THR 32 Cb 0.51 0.33 0.01 0.00 -1.73 0.00 0.00 68.15 67.27 1j0f h THR 32 CO -0.79 0.03 -0.27 -0.09 -0.25 0.00 0.00 175.52 174.15 1j0f h ARG 33 N 0.17 -0.73 0.34 4.72 2.43 0.55 -1.34 114.38 120.51 1j0f h ARG 33 Ca 0.52 0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.73 1j0f h ARG 33 Cb 1.72 0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 31.43 1j0f h ARG 33 CO -0.12 -0.42 -0.24 0.82 -1.51 0.00 0.00 179.97 178.50 1j0f h ILE 34 N -1.04 0.50 -1.16 1.20 5.03 0.47 0.17 117.51 122.67 1j0f h ILE 34 Ca -0.08 0.00 0.33 0.00 -0.12 0.00 0.00 64.86 64.99 1j0f h ILE 34 Cb 0.65 0.50 -0.05 0.00 -3.03 0.00 0.00 36.82 34.88 1j0f h ILE 34 CO 0.13 0.00 0.82 -0.07 -0.68 0.00 0.00 178.15 178.35 1j0f h LEU 35 N -0.57 0.06 0.00 1.44 4.07 -0.44 1.10 115.31 120.97 1j0f h LEU 35 Ca -0.03 0.01 -0.02 0.00 0.08 0.00 0.00 57.88 57.93 1j0f h LEU 35 Cb 0.49 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.23 1j0f h LEU 35 CO 0.01 0.01 -0.06 -0.78 -1.08 0.00 0.00 178.44 176.53 1j0f h ASP 36 N 0.05 0.06 -0.65 -0.43 1.82 0.09 0.31 116.42 117.66 1j0f h ASP 36 Ca 0.57 -0.79 -0.01 0.00 -0.39 0.00 0.00 57.03 56.40 1j0f h ASP 36 Cb 2.15 -0.02 -0.03 0.00 0.68 0.00 0.00 39.33 42.12 1j0f h ASP 36 CO -0.05 0.84 0.37 1.23 -1.61 0.00 0.00 179.24 180.02 1j0f h GLY 37 N -0.73 0.97 1.46 -0.78 0.00 0.26 0.23 103.07 104.49 1j0f h GLY 37 Ca -0.01 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1j0f h GLY 37 CO 0.01 0.42 0.00 0.28 0.00 0.00 0.00 176.54 177.25 1j0f n LYS 38 N -4.54 0.36 -3.02 4.80 5.02 0.33 -4.85 118.16 116.26 1j0f n LYS 38 Ca 0.05 0.08 -0.22 0.00 -2.02 0.00 0.00 58.31 56.20 1j0f n LYS 38 Cb 0.08 -1.50 0.02 0.00 -0.02 0.00 0.00 35.03 33.61 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 -1.23 -4.01 -2.55 1.97 5.12 0.07 -4.92 116.66 111.10 1j0f n ARG 39 Ca 0.11 0.77 -0.40 0.00 -1.93 0.00 0.00 57.85 56.40 1j0f n ARG 39 Cb 0.15 -5.55 -0.05 0.00 -1.16 0.00 0.00 32.46 25.85 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 3.66 -0.48 0.55 1.01 0.10 -4.98 121.20 118.01 1j0f s ILE 40 Ca 0.28 1.65 -0.26 0.00 0.00 0.00 0.00 60.65 62.32 1j0f s ILE 40 Cb -0.14 -4.04 0.03 0.00 0.01 0.00 0.00 42.46 38.33 1j0f s ILE 40 CO 0.35 0.37 0.98 -1.10 0.00 0.00 0.00 174.94 175.54 1j0f s GLN 41 N -1.44 3.55 0.21 2.79 -1.52 -1.26 -4.75 119.66 117.23 1j0f s GLN 41 Ca 0.44 0.20 -0.08 0.00 -1.95 0.00 0.00 55.36 53.97 1j0f s GLN 41 Cb -0.30 -3.94 -0.02 0.00 -0.22 0.00 0.00 33.01 28.54 1j0f s GLN 41 CO 0.38 -1.30 0.33 1.52 -0.25 0.00 0.00 175.29 175.97 1j0f s TYR 42 N 3.95 0.62 -0.05 0.91 -0.85 -1.26 -3.34 117.35 117.33 1j0f s TYR 42 Ca 0.39 -0.94 0.02 0.00 -0.52 0.00 0.00 57.07 56.02 1j0f s TYR 42 Cb -0.10 -0.10 0.01 0.00 0.38 0.00 0.00 41.96 42.16 1j0f s TYR 42 CO 0.27 -0.82 -0.09 -1.14 -1.52 0.00 0.00 175.55 172.24 1j0f s GLN 43 N -4.05 1.28 -0.27 -3.49 0.74 0.10 -4.95 119.66 109.02 1j0f s GLN 43 Ca 0.27 -0.30 -0.29 0.00 0.05 0.00 0.00 55.36 55.09 1j0f s GLN 43 Cb 0.03 -1.13 -0.00 0.00 1.10 0.00 0.00 33.01 33.01 1j0f s GLN 43 CO 0.08 0.02 1.26 -1.17 -0.55 0.00 0.00 175.29 174.93 1j0f s LEU 44 N 0.63 3.96 -0.27 3.68 2.96 -1.26 -0.18 118.68 128.19 1j0f s LEU 44 Ca -0.11 1.31 -0.09 0.00 -0.22 0.00 0.00 54.13 55.01 1j0f s LEU 44 Cb -0.14 -3.54 -0.03 0.00 0.50 0.00 0.00 46.19 42.98 1j0f s LEU 44 CO 0.02 -0.97 0.14 -0.69 -1.32 0.00 0.00 176.35 173.53 1j0f s VAL 45 N 4.06 4.80 -0.53 1.68 1.01 0.45 -4.91 120.40 126.97 1j0f s VAL 45 Ca 0.54 -0.07 -0.23 0.00 0.00 0.00 0.00 61.98 62.22 1j0f s VAL 45 Cb -0.17 -3.30 0.04 0.00 0.00 0.00 0.00 36.38 32.95 1j0f s VAL 45 CO 0.20 0.25 0.86 -0.62 0.00 0.00 0.00 175.10 175.79 1j0f s ASP 46 N 1.68 6.33 0.12 3.32 -1.08 -1.26 -0.66 116.67 125.12 1j0f s ASP 46 Ca 0.06 -0.40 -0.10 0.00 -0.52 0.00 0.00 52.55 51.59 1j0f s ASP 46 Cb -0.16 -2.40 -0.12 0.00 -1.46 0.00 0.00 42.92 38.78 1j0f s ASP 46 CO 0.07 -1.12 1.31 0.16 0.52 0.00 0.00 175.17 176.11 1j0f h ILE 47 N 5.99 1.31 -0.90 4.11 3.07 -1.83 -3.15 117.51 126.11 1j0f h ILE 47 Ca -0.26 -2.12 0.13 0.00 1.55 0.00 0.00 64.86 64.16 1j0f h ILE 47 Cb 1.08 2.14 -0.09 0.00 -0.27 0.00 0.00 36.82 39.68 1j0f h ILE 47 CO 1.05 0.66 0.52 -1.28 -1.05 0.00 0.00 178.15 178.04 1j0f h SER 48 N 0.42 0.71 -0.01 2.16 0.87 -1.90 -2.77 113.55 113.03 1j0f h SER 48 Ca -0.07 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1j0f h SER 48 Cb 1.47 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 63.35 1j0f h SER 48 CO 0.16 0.36 -0.08 1.56 -0.53 0.00 0.00 176.83 178.30 1j0f h GLN 49 N 0.80 -0.08 -4.85 2.24 1.08 -1.92 -3.38 115.11 108.99 1j0f h GLN 49 Ca 0.46 0.01 -0.66 0.00 -1.45 0.00 0.00 58.65 57.01 1j0f h GLN 49 Cb 0.54 0.02 -0.20 0.00 -0.05 0.00 0.00 27.48 27.78 1j0f h GLN 49 CO -0.30 -0.06 -0.55 0.34 -0.95 0.00 0.00 178.83 177.31 1j0f s ASP 50 N -2.86 5.66 0.30 1.46 -1.08 -1.05 -4.96 116.67 114.14 1j0f s ASP 50 Ca -0.02 -0.28 0.05 0.00 -0.52 0.00 0.00 52.55 51.78 1j0f s ASP 50 Cb 0.01 -2.04 0.71 0.00 -1.46 0.00 0.00 42.92 40.15 1j0f s ASP 50 CO 0.08 -0.12 1.76 -1.13 0.52 0.00 0.00 175.17 176.29 1j0f h ASN 51 N 8.35 0.68 -0.40 -0.34 -1.24 -1.75 -0.29 115.58 120.59 1j0f h ASN 51 Ca -0.34 0.11 0.07 0.00 0.71 0.00 0.00 56.30 56.84 1j0f h ASN 51 Cb 1.17 -0.01 -0.09 0.00 0.73 0.00 0.00 38.32 40.12 1j0f h ASN 51 CO 0.59 0.22 -0.40 0.00 -1.29 0.00 0.00 177.43 176.54 1j0f h ALA 52 N 1.65 -0.37 -0.96 1.57 0.00 -1.93 -0.83 119.26 118.38 1j0f h ALA 52 Ca 0.56 0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.64 1j0f h ALA 52 Cb 0.91 0.84 -0.13 0.00 0.00 0.00 0.00 17.79 19.41 1j0f h ALA 52 CO -0.41 -0.83 -0.55 -0.07 0.00 0.00 0.00 179.25 177.40 1j0f h LEU 53 N -0.31 -2.01 -0.89 0.00 3.38 -1.28 1.03 115.31 115.21 1j0f h LEU 53 Ca 0.15 0.32 0.27 0.00 0.09 0.00 0.00 57.88 58.71 1j0f h LEU 53 Cb 0.58 0.91 -0.17 0.00 0.09 0.00 0.00 40.66 42.07 1j0f h LEU 53 CO -0.56 -0.25 0.11 -1.14 0.09 0.00 0.00 178.44 176.69 1j0f n ARG 54 N -5.30 -0.07 0.11 1.13 0.63 -0.33 0.62 116.66 113.44 1j0f n ARG 54 Ca 0.03 1.32 -0.09 0.00 -0.92 0.00 0.00 57.85 58.20 1j0f n ARG 54 Cb 0.29 -2.15 -0.05 0.00 0.45 0.00 0.00 32.46 31.00 1j0f n ARG 54 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 1j0f h ASP 55 N 0.00 -0.30 -0.97 6.15 3.58 0.11 -2.75 116.42 122.24 1j0f h ASP 55 Ca 0.58 -0.15 0.26 0.00 0.42 0.00 0.00 57.03 58.15 1j0f h ASP 55 Cb 1.29 0.08 -0.18 0.00 1.72 0.00 0.00 39.33 42.24 1j0f h ASP 55 CO -0.81 0.20 0.02 -0.33 -2.88 0.00 0.00 179.24 175.43 1j0f h GLU 56 N -1.01 0.02 0.76 0.28 5.08 0.32 0.23 114.58 120.25 1j0f h GLU 56 Ca -0.04 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1j0f h GLU 56 Cb 0.43 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.68 1j0f h GLU 56 CO 0.06 0.01 -0.38 1.98 -1.00 0.00 0.00 179.01 179.69 1j0f h MET 57 N 0.02 -1.00 -0.48 2.33 4.05 0.13 0.37 114.93 120.35 1j0f h MET 57 Ca 0.58 0.07 0.09 0.00 -0.28 0.00 0.00 59.70 60.16 1j0f h MET 57 Cb 1.17 0.23 -0.10 0.00 -0.80 0.00 0.00 31.60 32.10 1j0f h MET 57 CO -0.90 -0.66 -0.26 0.00 0.23 0.00 0.00 176.91 175.31 1j0f h ARG 58 N -1.03 -0.15 0.48 0.39 3.08 -0.37 0.49 114.38 117.27 1j0f h ARG 58 Ca -0.10 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 1j0f h ARG 58 Cb 0.80 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.86 1j0f h ARG 58 CO 0.16 -0.10 -0.52 1.15 -1.07 0.00 0.00 179.97 179.59 1j0f h THR 59 N -0.16 0.00 -0.47 2.04 2.02 -0.70 0.54 112.91 116.19 1j0f h THR 59 Ca 0.22 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.49 1j0f h THR 59 Cb 0.50 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.81 1j0f h THR 59 CO -0.57 0.00 -0.27 -0.07 0.37 0.00 0.00 175.52 174.97 1j0f h LEU 60 N -1.00 -0.93 -0.09 2.58 3.38 -0.18 -0.36 115.31 118.71 1j0f h LEU 60 Ca -0.06 0.19 0.04 0.00 0.09 0.00 0.00 57.88 58.14 1j0f h LEU 60 Cb 0.88 0.47 -0.05 0.00 0.09 0.00 0.00 40.66 42.04 1j0f h LEU 60 CO -0.09 -0.28 -0.26 0.00 0.09 0.00 0.00 178.44 177.91 1j0f h ALA 61 N 1.02 -0.28 0.00 1.53 0.00 0.37 -3.46 119.26 118.44 1j0f h ALA 61 Ca 0.21 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1j0f h ALA 61 Cb 0.51 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1j0f h ALA 61 CO -0.57 -0.73 0.00 0.41 0.00 0.00 0.00 179.25 178.36 1j0f n GLY 62 N -1.37 1.53 3.61 0.00 0.00 0.17 -5.06 105.19 104.07 1j0f n GLY 62 Ca -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -0.35 0.21 1.61 2.47 -0.32 -5.02 114.94 111.54 1j0f s ASN 63 Ca 0.00 0.55 0.07 0.00 0.42 0.00 0.00 52.86 53.90 1j0f s ASN 63 Cb 0.00 1.18 0.12 0.00 -1.45 0.00 0.00 41.25 41.10 1j0f s ASN 63 CO 0.00 -0.09 1.47 1.55 -3.72 0.00 0.00 177.10 176.31 1j0f h PRO 64 N 5.90 0.09 -1.65 0.43 0.13 -1.96 -3.18 132.00 131.75 1j0f h PRO 64 Ca -0.26 -0.08 -0.39 0.00 -0.87 0.00 0.00 66.00 64.39 1j0f h PRO 64 Cb 1.17 0.02 -0.16 0.00 0.13 0.00 0.00 31.00 32.17 1j0f h PRO 64 CO 0.20 0.81 0.42 1.63 -0.23 0.00 0.00 178.00 180.83 1j0f n LYS 65 N -3.68 2.03 -3.04 0.86 4.76 -1.26 -4.90 118.16 112.93 1j0f n LYS 65 Ca -0.02 -1.88 -0.19 0.00 -2.87 0.00 0.00 58.31 53.35 1j0f n LYS 65 Cb 0.74 -1.82 0.04 0.00 -1.84 0.00 0.00 35.03 32.15 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 -1.85 4.63 0.15 7.82 0.00 -1.20 -5.14 121.76 126.16 1j0f s ALA 66 Ca 0.42 -1.94 -0.18 0.00 0.00 0.00 0.00 51.96 50.26 1j0f s ALA 66 Cb 0.30 -1.51 0.04 0.00 0.00 0.00 0.00 23.12 21.95 1j0f s ALA 66 CO -0.07 -0.61 0.47 0.95 0.00 0.00 0.00 175.76 176.50 1j0f s THR 67 N -2.54 0.04 0.84 0.00 -4.23 -1.26 -5.01 115.64 103.49 1j0f s THR 67 Ca 0.58 -0.46 -0.12 0.00 -1.18 0.00 0.00 61.69 60.52 1j0f s THR 67 Cb -0.07 -1.19 0.09 0.00 1.34 0.00 0.00 72.50 72.67 1j0f s THR 67 CO 0.36 -0.20 1.11 -2.16 -0.54 0.00 0.00 174.62 173.19 1j0f s PRO 68 N -3.80 1.74 0.79 3.99 0.04 -1.26 -4.67 135.00 131.82 1j0f s PRO 68 Ca 0.03 0.51 -0.13 0.00 0.04 0.00 0.00 61.00 61.45 1j0f s PRO 68 Cb 0.01 -1.89 0.19 0.00 0.04 0.00 0.00 34.50 32.85 1j0f s PRO 68 CO -0.11 -1.83 0.87 -0.35 0.04 0.00 0.00 177.00 175.62 1j0f n PRO 69 N -3.55 -1.72 -3.43 0.56 -0.04 -1.26 -4.89 135.00 120.66 1j0f n PRO 69 Ca 0.07 -1.37 -0.05 0.00 -0.04 0.00 0.00 63.50 62.11 1j0f n PRO 69 Cb 0.57 -1.08 -0.06 0.00 -0.04 0.00 0.00 33.50 32.89 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 -4.93 0.42 -0.17 0.54 2.00 -1.01 -4.21 119.66 112.30 1j0f s GLN 70 Ca 0.52 0.90 -0.21 0.00 -2.00 0.00 0.00 55.36 54.57 1j0f s GLN 70 Cb -0.03 0.15 -0.03 0.00 0.80 0.00 0.00 33.01 33.90 1j0f s GLN 70 CO 0.38 -0.47 0.63 0.42 -0.50 0.00 0.00 175.29 175.76 1j0f s ILE 71 N 2.68 5.04 0.00 -2.34 1.09 -1.08 -0.91 121.20 125.67 1j0f s ILE 71 Ca 0.08 1.22 0.05 0.00 -1.10 0.00 0.00 60.65 60.90 1j0f s ILE 71 Cb -0.14 -3.95 -0.01 0.00 -1.06 0.00 0.00 42.46 37.29 1j0f s ILE 71 CO -0.16 0.15 -0.16 -0.69 -0.10 0.00 0.00 174.94 173.97 1j0f s VAL 72 N 1.63 1.28 -0.31 2.92 1.01 0.18 -1.61 120.40 125.49 1j0f s VAL 72 Ca 0.30 -0.78 0.03 0.00 0.00 0.00 0.00 61.98 61.53 1j0f s VAL 72 Cb -0.16 -1.08 0.08 0.00 0.00 0.00 0.00 36.38 35.22 1j0f s VAL 72 CO 0.11 0.30 -0.00 0.21 0.00 0.00 0.00 175.10 175.72 1j0f s ASN 73 N -0.56 4.69 -0.91 3.32 3.84 0.14 0.03 114.94 125.50 1j0f s ASN 73 Ca 0.06 -1.78 -0.19 0.00 0.21 0.00 0.00 52.86 51.16 1j0f s ASN 73 Cb -0.07 -1.62 0.03 0.00 -0.55 0.00 0.00 41.25 39.04 1j0f s ASN 73 CO -0.00 -0.31 0.55 0.61 -2.79 0.00 0.00 177.10 175.16 1j0f n GLY 74 N 4.38 -0.86 3.24 1.21 0.00 0.55 0.15 105.19 113.86 1j0f n GLY 74 Ca -0.05 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.85 0.00 -4.54 1.61 5.15 -1.26 -4.97 115.26 109.39 1j0f n ASN 75 Ca -0.16 0.00 -0.34 0.00 -0.60 0.00 0.00 54.58 53.47 1j0f n ASN 75 Cb 0.52 0.00 0.10 0.00 -0.53 0.00 0.00 39.78 39.87 1j0f n ASN 75 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1j0f n HIS 76 N 0.00 -0.16 -4.86 1.20 8.25 0.40 -5.00 115.22 115.06 1j0f n HIS 76 Ca 0.00 0.34 -0.33 0.00 -0.26 0.00 0.00 57.72 57.48 1j0f n HIS 76 Cb 0.00 -1.96 -0.14 0.00 1.12 0.00 0.00 29.99 29.01 1j0f n HIS 76 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1j0f s TYR 77 N -2.09 2.74 -0.15 4.41 5.04 -1.26 0.25 117.35 126.28 1j0f s TYR 77 Ca 0.67 -0.33 -0.14 0.00 -2.44 0.00 0.00 57.07 54.82 1j0f s TYR 77 Cb -0.30 -1.70 -0.05 0.00 0.35 0.00 0.00 41.96 40.26 1j0f s TYR 77 CO 0.57 0.05 -0.27 0.00 -1.34 0.00 0.00 175.55 174.56 1j0f n GLY 79 N 1.50 -0.50 3.83 0.00 0.00 -1.23 -4.95 105.19 103.84 1j0f n GLY 79 Ca -0.11 -0.86 -0.24 0.00 0.00 0.00 0.00 46.02 44.82 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 4.69 0.32 1.61 -4.77 -1.26 -2.65 116.67 110.61 1j0f s ASP 80 Ca 0.00 -1.02 0.09 0.00 -3.30 0.00 0.00 52.55 48.32 1j0f s ASP 80 Cb 0.00 -0.26 0.95 0.00 -1.09 0.00 0.00 42.92 42.53 1j0f s ASP 80 CO 0.00 -0.74 1.61 0.22 0.70 0.00 0.00 175.17 176.97 1j0f h TYR 81 N 1.11 0.48 0.28 2.11 5.03 -1.91 -0.22 116.97 123.84 1j0f h TYR 81 Ca -0.41 0.05 -0.01 0.00 2.58 0.00 0.00 58.73 60.95 1j0f h TYR 81 Cb 1.27 -0.05 -0.01 0.00 1.55 0.00 0.00 36.73 39.49 1j0f h TYR 81 CO 0.70 -0.33 -0.28 0.93 -1.32 0.00 0.00 178.16 177.86 1j0f h GLU 82 N 0.13 -0.54 -0.91 1.82 5.08 -1.95 -1.09 114.58 117.13 1j0f h GLU 82 Ca 0.67 0.04 0.14 0.00 -1.00 0.00 0.00 59.36 59.21 1j0f h GLU 82 Cb 1.53 0.12 -0.15 0.00 0.50 0.00 0.00 28.75 30.76 1j0f h GLU 82 CO -0.74 -0.36 -0.39 -0.07 -1.00 0.00 0.00 179.01 176.45 1j0f h LEU 83 N -0.56 -1.43 -0.21 1.33 4.07 -1.45 0.54 115.31 117.60 1j0f h LEU 83 Ca -0.04 0.29 0.03 0.00 0.08 0.00 0.00 57.88 58.25 1j0f h LEU 83 Cb 0.48 0.73 -0.05 0.00 1.08 0.00 0.00 40.66 42.91 1j0f h LEU 83 CO -0.04 -0.29 -0.36 0.15 -1.08 0.00 0.00 178.44 176.82 1j0f h PHE 84 N -0.04 -1.11 -0.80 1.13 3.57 -1.02 0.69 116.94 119.36 1j0f h PHE 84 Ca 0.31 0.05 0.19 0.00 3.53 0.00 0.00 57.97 62.05 1j0f h PHE 84 Cb 0.58 0.51 -0.14 0.00 2.79 0.00 0.00 35.95 39.69 1j0f h PHE 84 CO -0.83 -0.33 0.00 -0.24 -2.23 0.00 0.00 178.31 174.68 1j0f h VAL 85 N -0.30 0.28 -0.03 1.41 3.04 0.28 0.93 116.25 121.87 1j0f h VAL 85 Ca 0.04 -0.03 0.03 0.00 -1.01 0.00 0.00 66.70 65.73 1j0f h VAL 85 Cb 0.41 0.19 -0.06 0.00 -2.01 0.00 0.00 31.29 29.82 1j0f h VAL 85 CO -0.36 0.02 -0.38 -0.08 -1.01 0.00 0.00 177.57 175.75 1j0f h GLU 86 N 0.09 -0.50 0.69 4.17 4.81 0.94 0.81 114.58 125.58 1j0f h GLU 86 Ca 0.44 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.67 1j0f h GLU 86 Cb 0.80 0.11 0.01 0.00 0.63 0.00 0.00 28.75 30.30 1j0f h GLU 86 CO -0.71 -0.34 -0.33 0.00 -0.73 0.00 0.00 179.01 176.90 1j0f h ALA 87 N 0.10 -0.92 -0.84 2.92 0.00 0.13 0.33 119.26 120.99 1j0f h ALA 87 Ca 0.06 -0.21 0.20 0.00 0.00 0.00 0.00 54.91 54.96 1j0f h ALA 87 Cb 0.62 0.36 -0.15 0.00 0.00 0.00 0.00 17.79 18.61 1j0f h ALA 87 CO -0.32 -0.98 -0.02 0.28 0.00 0.00 0.00 179.25 178.21 1j0f h VAL 88 N -0.99 0.22 -0.21 0.00 2.07 0.10 1.25 116.25 118.70 1j0f h VAL 88 Ca -0.09 -0.02 -0.02 0.00 0.82 0.00 0.00 66.70 67.38 1j0f h VAL 88 Cb 0.73 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1j0f h VAL 88 CO 0.15 0.01 0.05 -0.33 0.02 0.00 0.00 177.57 177.48 1j0f h GLU 89 N 0.07 0.33 0.00 1.57 5.08 0.94 -1.82 114.58 120.74 1j0f h GLU 89 Ca 0.47 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 1j0f h GLU 89 Cb 0.85 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.06 1j0f h GLU 89 CO -0.77 0.46 0.00 1.04 -1.00 0.00 0.00 179.01 178.73 1j0f n GLN 90 N -4.76 0.07 -2.11 2.33 1.13 0.13 -4.82 117.38 109.34 1j0f n GLN 90 Ca -0.04 0.38 -0.07 0.00 -1.94 0.00 0.00 57.00 55.33 1j0f n GLN 90 Cb 0.17 -1.65 -0.00 0.00 0.11 0.00 0.00 30.24 28.87 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 -1.77 -2.77 -0.97 1.08 -0.08 0.38 -4.92 116.55 107.50 1j0f n ASP 91 Ca 0.02 -0.00 0.04 0.00 -1.51 0.00 0.00 54.79 53.34 1j0f n ASP 91 Cb 0.14 -2.06 0.14 0.00 2.34 0.00 0.00 41.12 41.68 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 -3.97 1.58 -0.05 5.18 -2.24 -0.08 -4.78 114.28 109.92 1j0f n THR 92 Ca -0.09 -2.65 0.15 0.00 -2.27 0.00 0.00 64.05 59.19 1j0f n THR 92 Cb 0.56 0.10 0.57 0.00 -2.10 0.00 0.00 70.33 69.46 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 1.09 0.23 -0.66 3.22 5.85 -1.85 0.21 115.31 123.40 1j0f h LEU 93 Ca -0.05 0.01 -0.12 0.00 0.84 0.00 0.00 57.88 58.56 1j0f h LEU 93 Cb 1.29 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.26 1j0f h LEU 93 CO 0.07 0.13 -0.25 1.56 -0.34 0.00 0.00 178.44 179.61 1j0f h GLN 94 N 0.26 0.77 -0.01 1.25 4.20 -1.93 -2.41 115.11 117.24 1j0f h GLN 94 Ca 0.27 -0.33 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 1j0f h GLN 94 Cb 0.70 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.46 1j0f h GLN 94 CO -0.06 0.94 -0.01 1.49 -0.67 0.00 0.00 178.83 180.53 1j0f h GLU 95 N 0.67 0.02 -0.10 1.46 4.22 -1.04 -3.17 114.58 116.65 1j0f h GLU 95 Ca 0.09 -0.01 0.04 0.00 0.08 0.00 0.00 59.36 59.55 1j0f h GLU 95 Cb 0.77 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.96 1j0f h GLU 95 CO 0.06 0.47 -0.44 0.35 -2.18 0.00 0.00 179.01 177.27 1j0f h PHE 96 N -0.43 -1.27 -0.08 0.92 3.57 -1.01 -3.42 116.94 115.21 1j0f h PHE 96 Ca 0.00 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.55 1j0f h PHE 96 Cb 0.46 0.57 0.00 0.00 2.79 0.00 0.00 35.95 39.78 1j0f h PHE 96 CO 0.08 -0.50 0.00 1.28 -2.23 0.00 0.00 178.31 176.95 1j0f n LEU 97 N -5.44 0.00 -2.60 0.59 4.77 -0.91 -4.83 117.00 108.57 1j0f n LEU 97 Ca -0.05 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.67 1j0f n LEU 97 Cb 0.37 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.45 1j0f n LEU 97 CO 0.12 -0.26 0.15 0.29 -1.33 0.00 0.00 177.39 176.37 1j0f n LYS 98 N 0.00 3.20 -0.13 3.23 4.01 -1.26 -4.74 118.16 122.47 1j0f n LYS 98 Ca 0.00 -4.48 -0.28 0.00 -0.51 0.00 0.00 58.31 53.04 1j0f n LYS 98 Cb 0.00 -2.17 -0.09 0.00 -0.51 0.00 0.00 35.03 32.25 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 -0.39 1.85 0.00 -0.35 4.32 -1.22 -5.04 117.00 116.17 1j0f n LEU 99 Ca 0.35 0.32 0.00 0.00 -0.02 0.00 0.00 56.01 56.66 1j0f n LEU 99 Cb 0.61 -0.77 0.00 0.00 -1.62 0.00 0.00 43.42 41.64 1j0f n LEU 99 CO 0.33 0.52 0.11 0.00 -1.22 0.00 0.00 177.39 177.13