#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d2h n ALA 42 N 0.00 0.43 0.19 2.41 0.00 -1.26 -0.02 120.51 122.25 1d2h n ALA 42 Ca 0.00 1.07 -0.08 0.00 0.00 0.00 0.00 53.44 54.43 1d2h n ALA 42 Cb 0.00 -0.74 -0.04 0.00 0.00 0.00 0.00 19.45 18.67 1d2h n ALA 42 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1d2h h GLU 43 N 0.00 -0.49 0.00 0.00 4.57 -1.97 -2.86 114.58 113.84 1d2h h GLU 43 Ca 0.57 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.78 1d2h h GLU 43 Cb 1.10 0.11 0.00 0.00 -0.16 0.00 0.00 28.75 29.80 1d2h h GLU 43 CO -0.95 -0.32 0.00 0.98 -1.18 0.00 0.00 179.01 177.53 1d2h n TYR 44 N -4.10 0.00 -0.31 0.92 9.36 0.08 -0.60 117.16 122.50 1d2h n TYR 44 Ca -0.06 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.16 1d2h n TYR 44 Cb 0.20 -0.27 0.06 0.00 -0.63 0.00 0.00 39.34 38.70 1d2h n TYR 44 CO 0.00 0.00 0.00 -0.22 0.22 0.00 0.00 176.86 176.86 1d2h h LYS 45 N 0.00 -0.04 0.00 2.98 3.64 -0.59 -1.78 116.57 120.78 1d2h h LYS 45 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1d2h h LYS 45 Cb 0.00 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1d2h h LYS 45 CO 0.00 -0.02 0.00 0.00 -2.27 0.00 0.00 179.45 177.16 1d2h n ALA 46 N -3.39 -0.06 -0.36 5.00 0.00 0.23 -2.47 120.51 119.46 1d2h n ALA 46 Ca 0.10 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.46 1d2h n ALA 46 Cb 0.41 0.21 -0.06 0.00 0.00 0.00 0.00 19.45 20.00 1d2h n ALA 46 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 177.50 179.37 1d2h n TRP 47 N -1.43 -0.31 0.00 0.00 -0.00 -0.38 -2.62 117.44 112.70 1d2h n TRP 47 Ca 0.00 1.08 0.00 0.00 -0.00 0.00 0.00 57.50 58.58 1d2h n TRP 47 Cb 0.00 -0.61 0.00 0.00 -0.00 0.00 0.00 31.31 30.70 1d2h n TRP 47 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 177.69 177.58 1d2h n LEU 48 N -5.12 0.00 -0.18 5.87 7.94 -0.70 -0.67 117.00 124.15 1d2h n LEU 48 Ca 0.03 0.18 -0.03 0.00 -1.11 0.00 0.00 56.01 55.09 1d2h n LEU 48 Cb 0.25 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.18 1d2h n LEU 48 CO -0.13 0.00 0.24 0.18 -1.11 0.00 0.00 177.39 176.56 1d2h n LEU 49 N -0.37 -0.38 0.03 -1.96 4.32 -1.03 0.12 117.00 117.72 1d2h n LEU 49 Ca 0.00 0.78 -0.11 0.00 -0.02 0.00 0.00 56.01 56.66 1d2h n LEU 49 Cb 0.00 -0.14 -0.07 0.00 -1.62 0.00 0.00 43.42 41.59 1d2h n LEU 49 CO 0.00 -0.67 0.51 1.23 -1.22 0.00 0.00 177.39 177.23 1d2h h GLY 50 N 0.00 -1.22 0.00 -0.72 0.00 -1.17 0.96 103.07 100.92 1d2h h GLY 50 Ca 0.11 0.66 0.00 0.00 0.00 0.00 0.00 47.33 48.10 1d2h h GLY 50 CO -0.43 -0.32 0.00 -0.10 0.00 0.00 0.00 176.54 175.69 1d2h n LEU 51 N -4.57 0.00 -0.36 3.11 7.94 0.33 0.11 117.00 123.56 1d2h n LEU 51 Ca -0.05 0.96 -0.09 0.00 -1.11 0.00 0.00 56.01 55.71 1d2h n LEU 51 Cb 0.27 -0.46 -0.09 0.00 0.53 0.00 0.00 43.42 43.68 1d2h n LEU 51 CO 0.08 -0.46 0.47 -0.11 -1.11 0.00 0.00 177.39 176.26 1d2h n LEU 52 N -2.63 -0.91 -0.12 -1.96 7.94 -0.32 -1.69 117.00 117.31 1d2h n LEU 52 Ca 0.00 1.64 -0.08 0.00 -1.11 0.00 0.00 56.01 56.46 1d2h n LEU 52 Cb 0.00 -0.26 -0.06 0.00 0.53 0.00 0.00 43.42 43.63 1d2h n LEU 52 CO 0.00 -1.30 0.50 -0.09 -1.11 0.00 0.00 177.39 175.39 1d2h h ARG 53 N 0.00 -0.19 -0.98 1.96 2.43 0.22 -1.40 114.38 116.42 1d2h h ARG 53 Ca 0.14 0.01 0.26 0.00 -0.81 0.00 0.00 59.98 59.58 1d2h h ARG 53 Cb 0.35 0.04 -0.13 0.00 -0.42 0.00 0.00 29.97 29.81 1d2h h ARG 53 CO -0.80 -0.13 0.53 -0.56 -1.51 0.00 0.00 179.97 177.50 1d2h h GLN 54 N -0.20 0.44 0.00 0.20 3.07 0.17 0.84 115.11 119.62 1d2h h GLN 54 Ca 0.05 -0.03 -0.04 0.00 0.09 0.00 0.00 58.65 58.73 1d2h h GLN 54 Cb 0.34 -0.10 -0.01 0.00 0.08 0.00 0.00 27.48 27.80 1d2h h GLN 54 CO -0.40 0.29 -0.19 0.45 0.09 0.00 0.00 178.83 179.07 1d2h h HIS 55 N 0.45 0.00 -0.94 0.06 3.86 -0.54 -3.47 115.15 114.57 1d2h h HIS 55 Ca 0.65 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.86 1d2h h HIS 55 Cb 1.32 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.79 1d2h h HIS 55 CO -0.04 0.19 0.00 0.41 0.86 0.00 0.00 177.93 179.34 1d2h n GLY 56 N 0.35 0.87 3.74 2.45 0.00 0.29 -5.05 105.19 107.84 1d2h n GLY 56 Ca 0.01 -0.51 -0.38 0.00 0.00 0.00 0.00 46.02 45.13 1d2h n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d2h n HIS 58 N 3.40 0.00 -2.85 0.00 -0.00 -1.26 -4.74 115.22 109.78 1d2h n HIS 58 Ca -0.07 0.00 -0.41 0.00 0.46 0.00 0.00 57.72 57.70 1d2h n HIS 58 Cb 0.51 -0.16 -0.04 0.00 -0.12 0.00 0.00 29.99 30.19 1d2h n HIS 58 CO 0.00 0.00 0.00 -0.98 0.46 0.00 0.00 176.34 175.82 1d2h s ARG 59 N -1.92 4.38 -0.04 1.57 1.70 -1.26 -1.54 118.95 121.85 1d2h s ARG 59 Ca -0.09 1.13 0.05 0.00 -0.47 0.00 0.00 55.73 56.35 1d2h s ARG 59 Cb 0.01 -3.53 -0.01 0.00 -0.57 0.00 0.00 34.95 30.85 1d2h s ARG 59 CO 0.14 -0.22 -0.20 0.14 -1.08 0.00 0.00 175.30 174.07 1d2h s VAL 60 N 1.75 1.63 -0.23 4.99 -7.23 -0.63 -1.55 120.40 119.12 1d2h s VAL 60 Ca 0.42 -0.85 -0.05 0.00 -1.81 0.00 0.00 61.98 59.69 1d2h s VAL 60 Cb -0.18 -1.38 -0.01 0.00 0.56 0.00 0.00 36.38 35.37 1d2h s VAL 60 CO 0.16 0.46 -0.00 -0.22 -0.31 0.00 0.00 175.10 175.19 1d2h s LEU 61 N -0.21 3.10 -0.40 1.32 2.96 -0.68 -1.54 118.68 123.23 1d2h s LEU 61 Ca 0.01 -0.35 -0.16 0.00 -0.22 0.00 0.00 54.13 53.41 1d2h s LEU 61 Cb -0.11 -1.80 0.01 0.00 0.50 0.00 0.00 46.19 44.80 1d2h s LEU 61 CO 0.01 -0.03 0.38 -0.62 -1.32 0.00 0.00 176.35 174.77 1d2h s ASP 62 N 1.52 6.16 0.00 3.68 2.15 -0.85 -1.91 116.67 127.43 1d2h s ASP 62 Ca 0.06 -0.67 0.28 0.00 0.43 0.00 0.00 52.55 52.65 1d2h s ASP 62 Cb -0.15 -2.20 1.55 0.00 -0.30 0.00 0.00 42.92 41.83 1d2h s ASP 62 CO -0.01 -0.49 2.01 1.33 -0.17 0.00 0.00 175.17 177.84 1d2h n VAL 63 N 5.31 0.01 -3.11 1.11 0.24 -0.91 -1.14 118.33 119.84 1d2h n VAL 63 Ca -0.09 -0.06 -0.19 0.00 -2.04 0.00 0.00 64.34 61.97 1d2h n VAL 63 Cb 0.48 -0.26 -0.03 0.00 -1.47 0.00 0.00 33.84 32.56 1d2h n VAL 63 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1d2h n ALA 64 N -0.71 1.65 0.21 2.33 0.00 -1.07 -4.58 120.51 118.34 1d2h n ALA 64 Ca 0.21 -3.07 0.03 0.00 0.00 0.00 0.00 53.44 50.60 1d2h n ALA 64 Cb 0.15 -0.94 0.13 0.00 0.00 0.00 0.00 19.45 18.79 1d2h n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1d2h n GLY 66 N -0.89 0.77 0.00 0.00 0.00 -1.26 0.20 105.19 104.01 1d2h n GLY 66 Ca 0.02 -0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.13 1d2h n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1d2h n THR 67 N 0.00 0.20 -2.09 2.61 -2.24 -1.26 -3.06 114.28 108.44 1d2h n THR 67 Ca 0.00 0.05 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1d2h n THR 67 Cb 0.00 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.56 1d2h n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1d2h n GLY 68 N 0.62 0.65 0.09 3.38 0.00 0.54 -2.82 105.19 107.65 1d2h n GLY 68 Ca 0.13 -0.53 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 1d2h n GLY 68 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1d2h h VAL 69 N 0.00 1.04 0.00 1.61 2.07 -1.90 -2.61 116.25 116.46 1d2h h VAL 69 Ca 0.00 -1.53 -0.11 0.00 0.82 0.00 0.00 66.70 65.88 1d2h h VAL 69 Cb 0.95 1.86 -0.02 0.00 -1.52 0.00 0.00 31.29 32.57 1d2h h VAL 69 CO 0.00 0.32 -0.54 0.44 0.02 0.00 0.00 177.57 177.81 1d2h h ASP 70 N -0.92 0.00 -0.10 0.57 3.32 -1.95 -2.71 116.42 114.64 1d2h h ASP 70 Ca -0.01 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.02 1d2h h ASP 70 Cb 0.58 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.13 1d2h h ASP 70 CO 0.01 0.54 -0.03 0.28 -1.72 0.00 0.00 179.24 178.33 1d2h h SER 71 N 0.00 0.19 -0.28 6.45 0.02 -1.90 -2.01 113.55 116.01 1d2h h SER 71 Ca -0.01 -0.38 -0.01 0.00 -0.84 0.00 0.00 61.79 60.55 1d2h h SER 71 Cb 1.01 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.49 1d2h h SER 71 CO 0.07 0.53 0.16 0.40 -1.14 0.00 0.00 176.83 176.84 1d2h h ILE 72 N -0.15 1.11 0.40 3.27 2.04 -1.43 -0.45 117.51 122.30 1d2h h ILE 72 Ca 0.02 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.56 1d2h h ILE 72 Cb 0.45 0.70 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1d2h h ILE 72 CO 0.01 0.12 -0.19 -0.03 0.00 0.00 0.00 178.15 178.06 1d2h h MET 73 N 0.43 -0.52 -1.02 2.37 4.05 -1.35 -2.38 114.93 116.52 1d2h h MET 73 Ca 0.11 0.04 0.28 0.00 -0.28 0.00 0.00 59.70 59.84 1d2h h MET 73 Cb 0.04 0.12 -0.13 0.00 -0.80 0.00 0.00 31.60 30.83 1d2h h MET 73 CO -0.02 -0.35 0.60 -0.07 0.23 0.00 0.00 176.91 177.31 1d2h h LEU 74 N -0.84 0.59 0.23 3.39 3.38 -1.29 0.85 115.31 121.63 1d2h h LEU 74 Ca -0.06 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1d2h h LEU 74 Cb 0.41 0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1d2h h LEU 74 CO 0.09 0.02 -0.44 0.58 0.09 0.00 0.00 178.44 178.78 1d2h h VAL 75 N 0.47 0.00 -0.35 1.22 2.07 -1.02 -1.20 116.25 117.44 1d2h h VAL 75 Ca 0.67 0.00 0.04 0.00 0.82 0.00 0.00 66.70 68.24 1d2h h VAL 75 Cb 1.43 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 1d2h h VAL 75 CO -0.49 0.00 0.11 -0.33 0.02 0.00 0.00 177.57 176.88 1d2h h GLU 76 N -0.73 0.25 0.00 1.57 5.08 -0.17 0.19 114.58 120.77 1d2h h GLU 76 Ca -0.02 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1d2h h GLU 76 Cb 0.68 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1d2h h GLU 76 CO -0.17 0.16 0.23 -1.91 -1.00 0.00 0.00 179.01 176.33 1d2h n GLU 77 N -5.03 0.00 -1.54 2.33 4.07 0.27 -4.75 120.64 115.99 1d2h n GLU 77 Ca 0.01 0.28 0.00 0.00 -0.06 0.00 0.00 57.16 57.39 1d2h n GLU 77 Cb 0.13 -1.74 0.00 0.00 -0.06 0.00 0.00 31.44 29.77 1d2h n GLU 77 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1d2h n GLY 78 N -1.27 0.67 3.21 8.31 0.00 0.05 -5.02 105.19 111.14 1d2h n GLY 78 Ca -0.00 -0.39 -0.22 0.00 0.00 0.00 0.00 46.02 45.41 1d2h n GLY 78 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1d2h s PHE 79 N -2.80 1.53 -1.00 1.61 0.40 -0.69 -5.03 117.98 112.02 1d2h s PHE 79 Ca 0.00 -0.38 -0.23 0.00 -0.60 0.00 0.00 56.93 55.71 1d2h s PHE 79 Cb 0.00 -0.89 0.04 0.00 0.51 0.00 0.00 43.02 42.68 1d2h s PHE 79 CO 0.00 0.09 1.50 0.45 0.70 0.00 0.00 175.22 177.96 1d2h s SER 80 N -1.35 6.34 -0.07 1.36 0.15 -0.59 -4.51 113.70 115.03 1d2h s SER 80 Ca 0.04 -1.33 -0.21 0.00 0.70 0.00 0.00 55.95 55.15 1d2h s SER 80 Cb -0.09 -2.57 -0.04 0.00 -1.71 0.00 0.00 66.02 61.61 1d2h s SER 80 CO 0.02 -1.66 0.61 0.68 1.20 0.00 0.00 173.24 174.10 1d2h s VAL 81 N 5.57 5.07 -0.31 4.45 -7.23 -1.26 -1.61 120.40 125.07 1d2h s VAL 81 Ca 0.48 1.26 -0.00 0.00 -1.81 0.00 0.00 61.98 61.91 1d2h s VAL 81 Cb -0.01 -3.95 0.10 0.00 0.56 0.00 0.00 36.38 33.08 1d2h s VAL 81 CO -0.08 0.30 0.09 0.28 -0.31 0.00 0.00 175.10 175.38 1d2h s THR 82 N 0.58 1.07 0.00 5.32 -1.32 -0.59 -1.97 115.64 118.73 1d2h s THR 82 Ca 0.33 -1.53 0.07 0.00 -1.21 0.00 0.00 61.69 59.35 1d2h s THR 82 Cb -0.17 -1.81 -0.03 0.00 -1.51 0.00 0.00 72.50 68.98 1d2h s THR 82 CO 0.15 -0.67 -0.21 -0.94 -2.21 0.00 0.00 174.62 170.75 1d2h s SER 83 N 1.52 3.51 -0.01 8.08 1.04 -0.48 -2.00 113.70 125.36 1d2h s SER 83 Ca 0.10 -0.42 -0.08 0.00 0.48 0.00 0.00 55.95 56.03 1d2h s SER 83 Cb -0.17 -0.52 0.01 0.00 0.10 0.00 0.00 66.02 65.43 1d2h s SER 83 CO -0.23 0.30 0.17 0.68 0.98 0.00 0.00 173.24 175.13 1d2h s VAL 84 N -0.77 0.07 0.12 5.02 -7.23 -0.29 -1.14 120.40 116.18 1d2h s VAL 84 Ca 0.12 -0.59 0.03 0.00 -1.81 0.00 0.00 61.98 59.73 1d2h s VAL 84 Cb -0.10 -0.44 -0.04 0.00 0.56 0.00 0.00 36.38 36.35 1d2h s VAL 84 CO 0.02 -0.32 -0.08 -0.62 -0.31 0.00 0.00 175.10 173.79 1d2h s ASP 85 N -1.22 1.43 -0.01 4.85 2.15 -0.80 -1.67 116.67 121.40 1d2h s ASP 85 Ca -0.13 -1.02 0.19 0.00 0.43 0.00 0.00 52.55 52.03 1d2h s ASP 85 Cb -0.07 0.05 0.57 0.00 -0.30 0.00 0.00 42.92 43.18 1d2h s ASP 85 CO 0.02 -0.41 1.48 0.00 -0.17 0.00 0.00 175.17 176.08 1d2h n ALA 86 N -0.12 2.44 -3.98 3.66 0.00 -0.80 -1.37 120.51 120.34 1d2h n ALA 86 Ca -0.11 -1.14 -0.30 0.00 0.00 0.00 0.00 53.44 51.89 1d2h n ALA 86 Cb 0.61 -0.95 -0.16 0.00 0.00 0.00 0.00 19.45 18.94 1d2h n ALA 86 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1d2h s SER 87 N -0.99 3.11 0.00 0.00 1.04 -1.26 -4.84 113.70 110.77 1d2h s SER 87 Ca 0.43 -0.75 0.00 0.00 0.48 0.00 0.00 55.95 56.11 1d2h s SER 87 Cb 0.23 -1.16 0.00 0.00 0.10 0.00 0.00 66.02 65.19 1d2h s SER 87 CO 0.29 -0.13 0.71 0.47 0.98 0.00 0.00 173.24 175.56 1d2h n ASP 88 N 4.74 0.00 -0.03 7.02 8.00 -1.26 -1.43 116.55 133.59 1d2h n ASP 88 Ca -0.15 0.71 -0.01 0.00 0.71 0.00 0.00 54.79 56.05 1d2h n ASP 88 Cb 0.48 -0.21 -0.01 0.00 -0.02 0.00 0.00 41.12 41.36 1d2h n ASP 88 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1d2h n LYS 89 N -1.68 -0.03 0.00 -1.24 4.76 -1.26 0.44 118.16 119.15 1d2h n LYS 89 Ca 0.00 0.37 0.00 0.00 -2.87 0.00 0.00 58.31 55.81 1d2h n LYS 89 Cb 0.00 -0.55 0.00 0.00 -1.84 0.00 0.00 35.03 32.64 1d2h n LYS 89 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1d2h n MET 90 N -2.82 0.00 -0.38 1.97 2.81 -1.08 -2.39 117.12 115.23 1d2h n MET 90 Ca 0.00 0.68 -0.02 0.00 -1.81 0.00 0.00 57.70 56.55 1d2h n MET 90 Cb 0.02 -1.37 0.03 0.00 -0.71 0.00 0.00 33.22 31.20 1d2h n MET 90 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 1d2h h LEU 91 N 0.00 -1.48 -0.44 4.03 5.85 0.20 0.13 115.31 123.60 1d2h h LEU 91 Ca 0.00 0.31 0.00 0.00 0.84 0.00 0.00 57.88 59.03 1d2h h LEU 91 Cb 0.00 0.77 0.00 0.00 0.37 0.00 0.00 40.66 41.80 1d2h h LEU 91 CO 0.00 -0.29 0.79 0.07 -0.34 0.00 0.00 178.44 178.67 1d2h h LYS 92 N -0.01 0.00 0.06 1.25 2.10 0.36 0.96 116.57 121.30 1d2h h LYS 92 Ca 0.33 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.64 1d2h h LYS 92 Cb 0.58 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.88 1d2h h LYS 92 CO -0.98 0.00 -1.93 0.66 -2.00 0.00 0.00 179.45 175.20 1d2h n TYR 93 N -2.42 1.03 -0.11 0.07 4.01 0.44 -3.07 117.16 117.11 1d2h n TYR 93 Ca -0.00 0.28 -0.06 0.00 -0.16 0.00 0.00 57.90 57.95 1d2h n TYR 93 Cb 0.80 -1.16 0.12 0.00 -0.31 0.00 0.00 39.34 38.79 1d2h n TYR 93 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1d2h h ALA 94 N 0.47 0.99 -0.35 -0.72 0.00 0.10 -2.65 119.26 117.11 1d2h h ALA 94 Ca -0.39 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.22 1d2h h ALA 94 Cb 2.03 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 19.62 1d2h h ALA 94 CO 0.07 0.60 0.23 -0.07 0.00 0.00 0.00 179.25 180.09 1d2h h LEU 95 N 0.74 0.40 0.03 0.00 -0.00 -1.27 -2.89 115.31 112.32 1d2h h LEU 95 Ca 0.13 -0.01 0.02 0.00 -0.00 0.00 0.00 57.88 58.02 1d2h h LEU 95 Cb 0.56 -0.10 -0.05 0.00 -0.00 0.00 0.00 40.66 41.07 1d2h h LEU 95 CO 0.03 0.29 -0.48 0.11 -0.00 0.00 0.00 178.44 178.39 1d2h h LYS 96 N 0.47 -0.63 -0.60 1.13 1.57 -1.40 -1.36 116.57 115.77 1d2h h LYS 96 Ca 0.13 0.04 0.12 0.00 -1.87 0.00 0.00 60.65 59.07 1d2h h LYS 96 Cb -0.05 0.14 -0.11 0.00 0.08 0.00 0.00 32.23 32.29 1d2h h LYS 96 CO -0.03 -0.42 -0.07 0.93 -0.57 0.00 0.00 179.45 179.29 1d2h h GLU 97 N -0.65 0.05 -0.80 3.15 3.07 -1.46 0.59 114.58 118.53 1d2h h GLU 97 Ca 0.03 -0.00 0.09 0.00 -0.50 0.00 0.00 59.36 58.97 1d2h h GLU 97 Cb 0.70 -0.01 -0.05 0.00 -0.84 0.00 0.00 28.75 28.55 1d2h h GLU 97 CO -0.32 0.04 0.52 -0.09 -1.40 0.00 0.00 179.01 177.75 1d2h h ARG 98 N 0.05 0.74 -0.43 2.33 2.43 -1.18 0.09 114.38 118.42 1d2h h ARG 98 Ca 0.30 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.36 1d2h h ARG 98 Cb 0.48 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.84 1d2h h ARG 98 CO -0.56 0.49 0.03 2.35 -1.51 0.00 0.00 179.97 180.77 1d2h h TRP 99 N 0.77 0.80 0.36 2.20 2.91 0.20 0.94 115.95 124.13 1d2h h TRP 99 Ca 0.36 -0.13 -0.02 0.00 1.13 0.00 0.00 58.89 60.24 1d2h h TRP 99 Cb 0.40 -0.21 0.00 0.00 -0.51 0.00 0.00 29.16 28.84 1d2h h TRP 99 CO -0.00 0.78 -0.17 -0.91 -1.03 0.00 0.00 178.44 177.11 1d2h h ASN 100 N 0.59 -0.41 0.16 2.65 2.35 -0.81 -2.02 115.58 118.08 1d2h h ASN 100 Ca 0.13 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1d2h h ASN 100 Cb 0.44 0.11 0.00 0.00 0.05 0.00 0.00 38.32 38.92 1d2h h ASN 100 CO 0.02 -0.11 0.00 0.54 -1.65 0.00 0.00 177.43 176.23 1d2h n ARG 101 N -5.20 0.48 -0.70 0.81 1.74 -0.06 -3.71 116.66 110.03 1d2h n ARG 101 Ca -0.10 0.05 0.53 0.00 -0.77 0.00 0.00 57.85 57.55 1d2h n ARG 101 Cb 0.26 -1.50 0.82 0.00 -1.02 0.00 0.00 32.46 31.02 1d2h n ARG 101 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 1d2h n ARG 102 N -1.12 -0.00 0.26 5.56 0.63 0.33 -0.40 116.66 121.91 1d2h n ARG 102 Ca 0.13 1.10 -0.10 0.00 -0.92 0.00 0.00 57.85 58.05 1d2h n ARG 102 Cb 0.11 -2.51 -0.05 0.00 0.45 0.00 0.00 32.46 30.46 1d2h n ARG 102 CO 0.00 0.00 0.00 0.87 -2.51 0.00 0.00 177.63 175.99 1d2h h LYS 103 N 0.00 -0.63 -6.22 -0.14 1.79 -1.78 -3.40 116.57 106.19 1d2h h LYS 103 Ca 0.94 0.04 -0.69 0.00 -2.18 0.00 0.00 60.65 58.76 1d2h h LYS 103 Cb 3.73 0.14 0.06 0.00 -1.58 0.00 0.00 32.23 34.58 1d2h h LYS 103 CO -0.04 -0.42 0.31 0.39 -1.08 0.00 0.00 179.45 178.61 1d2h n GLU 104 N -3.78 0.90 0.03 3.15 1.02 0.46 -4.80 120.64 117.62 1d2h n GLU 104 Ca -0.08 0.32 0.16 0.00 -0.02 0.00 0.00 57.16 57.54 1d2h n GLU 104 Cb 0.26 -1.89 0.63 0.00 -0.02 0.00 0.00 31.44 30.42 1d2h n GLU 104 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1d2h h PRO 105 N 3.91 0.10 0.00 3.49 0.13 -1.84 -2.98 132.00 134.81 1d2h h PRO 105 Ca -0.47 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 1d2h h PRO 105 Cb 1.36 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.47 1d2h h PRO 105 CO 0.73 0.06 0.00 0.00 -0.23 0.00 0.00 178.00 178.56 1d2h n ALA 106 N -2.59 -0.21 0.28 -0.56 0.00 -1.26 -1.76 120.51 114.41 1d2h n ALA 106 Ca 0.07 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.66 1d2h n ALA 106 Cb 0.46 0.13 0.76 0.00 0.00 0.00 0.00 19.45 20.80 1d2h n ALA 106 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.50 178.24 1d2h h PHE 107 N 0.00 0.00 0.00 0.00 -1.00 -1.81 0.63 116.94 114.76 1d2h h PHE 107 Ca 0.00 0.00 -0.03 0.00 2.81 0.00 0.00 57.97 60.75 1d2h h PHE 107 Cb 0.00 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 39.56 1d2h h PHE 107 CO -0.10 0.00 -0.14 0.22 -1.61 0.00 0.00 178.31 176.69 1d2h h ASP 108 N 0.00 0.00 0.31 2.17 3.58 -1.18 -2.60 116.42 118.70 1d2h h ASP 108 Ca 0.00 0.00 -0.33 0.00 0.42 0.00 0.00 57.03 57.12 1d2h h ASP 108 Cb 0.45 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.46 1d2h h ASP 108 CO 0.00 0.14 -1.87 0.29 -2.88 0.00 0.00 179.24 174.92 1d2h n LYS 109 N -3.59 0.69 -1.01 0.28 4.01 0.22 -4.97 118.16 113.78 1d2h n LYS 109 Ca -0.01 0.27 -0.33 0.00 -0.51 0.00 0.00 58.31 57.72 1d2h n LYS 109 Cb 0.27 -1.74 -0.01 0.00 -0.51 0.00 0.00 35.03 33.04 1d2h n LYS 109 CO 0.00 0.00 0.00 1.87 -1.11 0.00 0.00 177.40 178.16 1d2h n TRP 110 N -3.22 -1.29 -3.48 2.13 -0.00 -0.98 -4.91 117.44 105.69 1d2h n TRP 110 Ca -0.24 0.55 -0.27 0.00 -0.00 0.00 0.00 57.50 57.54 1d2h n TRP 110 Cb 1.05 -1.40 -0.10 0.00 -0.00 0.00 0.00 31.31 30.87 1d2h n TRP 110 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 177.69 177.97 1d2h n VAL 111 N -0.57 -0.39 -2.60 5.87 0.31 -0.83 -5.02 118.33 115.09 1d2h n VAL 111 Ca 0.10 -3.88 -0.38 0.00 -0.01 0.00 0.00 64.34 60.17 1d2h n VAL 111 Cb 0.28 -1.82 -0.05 0.00 -0.91 0.00 0.00 33.84 31.34 1d2h n VAL 111 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1d2h s ILE 112 N -0.52 3.80 0.20 2.52 1.01 -1.17 -1.38 121.20 125.66 1d2h s ILE 112 Ca 0.32 1.58 -0.23 0.00 0.00 0.00 0.00 60.65 62.33 1d2h s ILE 112 Cb 0.04 -3.92 0.05 0.00 0.01 0.00 0.00 42.46 38.65 1d2h s ILE 112 CO -0.18 0.21 0.66 -0.70 0.00 0.00 0.00 174.94 174.93 1d2h s GLU 113 N -1.92 1.44 0.12 2.79 2.56 -0.30 -4.94 118.70 118.45 1d2h s GLU 113 Ca 0.50 -0.65 -0.12 0.00 0.00 0.00 0.00 54.97 54.70 1d2h s GLU 113 Cb -0.25 0.59 -0.06 0.00 2.00 0.00 0.00 34.13 36.40 1d2h s GLU 113 CO 0.31 -0.64 0.48 -1.21 -0.56 0.00 0.00 175.26 173.64 1d2h s GLU 114 N -3.78 3.87 0.00 4.30 2.02 -1.26 -1.90 118.70 121.96 1d2h s GLU 114 Ca 0.05 0.34 0.00 0.00 0.02 0.00 0.00 54.97 55.38 1d2h s GLU 114 Cb -0.03 -2.95 0.00 0.00 0.10 0.00 0.00 34.13 31.25 1d2h s GLU 114 CO -0.05 0.51 0.00 0.00 0.02 0.00 0.00 175.26 175.74 1d2h n ALA 115 N 0.82 0.00 -2.47 5.21 0.00 -0.47 -4.87 120.51 118.74 1d2h n ALA 115 Ca -0.06 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.06 1d2h n ALA 115 Cb 0.52 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.82 1d2h n ALA 115 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1d2h s ASN 116 N 0.00 3.45 0.15 0.00 2.47 -1.26 -1.91 114.94 117.84 1d2h s ASN 116 Ca 0.00 -0.37 -0.21 0.00 0.42 0.00 0.00 52.86 52.70 1d2h s ASN 116 Cb 0.00 -0.66 0.04 0.00 -1.45 0.00 0.00 41.25 39.19 1d2h s ASN 116 CO 0.00 0.31 1.64 -0.50 -3.72 0.00 0.00 177.10 174.84 1d2h h TRP 117 N 5.58 -0.48 0.00 0.43 6.55 -1.94 0.19 115.95 126.27 1d2h h TRP 117 Ca -0.42 0.04 0.00 0.00 0.95 0.00 0.00 58.89 59.46 1d2h h TRP 117 Cb 1.14 0.26 0.00 0.00 -0.86 0.00 0.00 29.16 29.70 1d2h h TRP 117 CO 0.44 -0.27 0.67 -0.07 -1.05 0.00 0.00 178.44 178.16 1d2h h LEU 118 N -0.17 0.00 -2.13 -4.49 4.07 -1.91 0.44 115.31 111.13 1d2h h LEU 118 Ca 0.15 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 58.03 1d2h h LEU 118 Cb 0.40 0.00 -0.15 0.00 1.08 0.00 0.00 40.66 41.98 1d2h h LEU 118 CO -0.38 0.00 -0.53 0.35 -1.08 0.00 0.00 178.44 176.80 1d2h n THR 119 N -2.14 0.00 -0.21 0.22 -2.24 -0.84 -4.89 114.28 104.18 1d2h n THR 119 Ca -0.00 -0.32 0.31 0.00 -2.27 0.00 0.00 64.05 61.77 1d2h n THR 119 Cb 0.68 0.57 0.71 0.00 -2.10 0.00 0.00 70.33 70.18 1d2h n THR 119 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1d2h h LEU 120 N 0.32 0.00 0.56 3.22 5.85 0.30 -1.65 115.31 123.91 1d2h h LEU 120 Ca -0.19 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.50 1d2h h LEU 120 Cb 1.49 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.52 1d2h h LEU 120 CO -0.03 0.00 -0.27 -2.24 -0.34 0.00 0.00 178.44 175.56 1d2h h ASP 121 N 0.00 -0.64 -0.07 1.25 3.04 -1.86 -1.02 116.42 117.13 1d2h h ASP 121 Ca 0.47 -0.03 0.00 0.00 -3.24 0.00 0.00 57.03 54.23 1d2h h ASP 121 Cb 2.10 0.16 0.00 0.00 -1.04 0.00 0.00 39.33 40.55 1d2h h ASP 121 CO -0.00 -0.35 0.00 2.29 -2.04 0.00 0.00 179.24 179.14 1d2h n LYS 122 N -5.35 1.34 0.00 4.15 -0.00 -0.65 -3.33 118.16 114.32 1d2h n LYS 122 Ca -0.12 -0.33 0.00 0.00 -0.00 0.00 0.00 58.31 57.86 1d2h n LYS 122 Cb 0.33 -1.37 0.00 0.00 -0.00 0.00 0.00 35.03 33.99 1d2h n LYS 122 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 1d2h n ASP 123 N -0.06 4.92 -3.56 -5.58 10.43 -1.04 -4.97 116.55 116.68 1d2h n ASP 123 Ca 0.03 0.00 -0.28 0.00 2.57 0.00 0.00 54.79 57.11 1d2h n ASP 123 Cb 0.24 0.95 -0.16 0.00 1.84 0.00 0.00 41.12 43.99 1d2h n ASP 123 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1d2h s VAL 124 N -1.97 -0.06 -0.87 2.53 1.01 -0.41 -4.95 120.40 115.68 1d2h s VAL 124 Ca 0.00 -0.60 -0.19 0.00 0.00 0.00 0.00 61.98 61.19 1d2h s VAL 124 Cb 0.00 -0.88 -0.22 0.00 0.00 0.00 0.00 36.38 35.28 1d2h s VAL 124 CO 0.00 -0.60 2.32 -2.65 0.00 0.00 0.00 175.10 174.17 1d2h n PRO 125 N 5.25 0.34 -0.62 2.72 -0.02 -1.26 -4.72 135.00 136.68 1d2h n PRO 125 Ca -0.06 -0.44 0.49 0.00 -2.02 0.00 0.00 63.50 61.47 1d2h n PRO 125 Cb 0.44 -2.52 0.81 0.00 -0.02 0.00 0.00 33.50 32.21 1d2h n PRO 125 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1d2h h ALA 126 N 12.35 3.70 -0.95 3.55 0.00 -1.92 -3.45 119.26 132.54 1d2h h ALA 126 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1d2h h ALA 126 Cb 1.08 0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1d2h h ALA 126 CO 1.28 -2.23 0.00 0.41 0.00 0.00 0.00 179.25 178.71 1d2h n GLY 127 N -1.89 3.29 0.21 0.00 0.00 -1.26 0.04 105.19 105.58 1d2h n GLY 127 Ca 0.40 -0.21 0.07 0.00 0.00 0.00 0.00 46.02 46.28 1d2h n GLY 127 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1d2h n ASP 128 N 3.10 0.61 0.00 1.61 -0.08 -1.26 -4.99 116.55 115.54 1d2h n ASP 128 Ca 0.00 -1.71 0.00 0.00 -1.51 0.00 0.00 54.79 51.57 1d2h n ASP 128 Cb 0.00 -0.05 0.00 0.00 2.34 0.00 0.00 41.12 43.41 1d2h n ASP 128 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1d2h n GLY 129 N 0.82 0.23 3.92 0.27 0.00 0.11 -4.67 105.19 105.87 1d2h n GLY 129 Ca 0.10 -1.60 -0.26 0.00 0.00 0.00 0.00 46.02 44.27 1d2h n GLY 129 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1d2h s PHE 130 N -2.84 3.53 -0.07 1.61 0.40 -0.53 -4.60 117.98 115.48 1d2h s PHE 130 Ca 0.00 0.58 -0.05 0.00 -0.60 0.00 0.00 56.93 56.87 1d2h s PHE 130 Cb 0.00 -2.11 -0.03 0.00 0.51 0.00 0.00 43.02 41.39 1d2h s PHE 130 CO 0.00 -0.09 0.22 -0.44 0.70 0.00 0.00 175.22 175.61 1d2h h ASP 131 N 0.47 -0.15 -4.22 1.36 3.45 -1.58 -1.54 116.42 114.22 1d2h h ASP 131 Ca -0.48 0.01 -0.69 0.00 0.43 0.00 0.00 57.03 56.29 1d2h h ASP 131 Cb 1.21 0.04 -0.25 0.00 -0.56 0.00 0.00 39.33 39.77 1d2h h ASP 131 CO 0.61 0.26 -0.87 0.00 -1.57 0.00 0.00 179.24 177.67 1d2h s ALA 132 N -3.05 2.31 -0.30 3.45 0.00 -0.99 -2.52 121.76 120.67 1d2h s ALA 132 Ca -0.03 -1.28 -0.00 0.00 0.00 0.00 0.00 51.96 50.65 1d2h s ALA 132 Cb 0.00 -0.50 0.10 0.00 0.00 0.00 0.00 23.12 22.72 1d2h s ALA 132 CO 0.08 0.54 0.09 0.08 0.00 0.00 0.00 175.76 176.54 1d2h s VAL 133 N -0.85 0.98 0.00 0.00 1.01 -0.66 -1.69 120.40 119.19 1d2h s VAL 133 Ca 0.12 -1.42 -0.15 0.00 0.00 0.00 0.00 61.98 60.53 1d2h s VAL 133 Cb -0.10 -1.71 -0.06 0.00 0.00 0.00 0.00 36.38 34.51 1d2h s VAL 133 CO 0.03 -0.63 0.41 0.27 0.00 0.00 0.00 175.10 175.17 1d2h s ILE 134 N 1.57 5.03 -0.32 2.22 -4.36 -0.80 -1.72 121.20 122.82 1d2h s ILE 134 Ca 0.09 0.83 0.17 0.00 -0.26 0.00 0.00 60.65 61.48 1d2h s ILE 134 Cb -0.17 -3.71 0.46 0.00 1.25 0.00 0.00 42.46 40.28 1d2h s ILE 134 CO -0.23 0.57 1.06 0.00 0.24 0.00 0.00 174.94 176.58 1d2h s LEU 136 N -3.29 3.58 0.00 0.00 2.01 -1.01 -2.17 118.68 117.80 1d2h s LEU 136 Ca 0.26 0.99 0.00 0.00 0.01 0.00 0.00 54.13 55.39 1d2h s LEU 136 Cb 0.43 -3.96 0.00 0.00 0.01 0.00 0.00 46.19 42.67 1d2h s LEU 136 CO -0.00 -0.61 0.00 0.61 1.01 0.00 0.00 176.35 177.36 1d2h n GLY 137 N -2.31 1.43 4.24 -3.19 0.00 -1.26 -4.47 105.19 99.64 1d2h n GLY 137 Ca 0.01 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 1d2h n GLY 137 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1d2h n ASN 138 N 0.11 -2.65 0.10 1.61 5.15 -1.26 -4.83 115.26 113.48 1d2h n ASN 138 Ca 0.00 -1.01 -0.23 0.00 -0.60 0.00 0.00 54.58 52.73 1d2h n ASN 138 Cb 0.03 -2.22 -0.15 0.00 -0.53 0.00 0.00 39.78 36.91 1d2h n ASN 138 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1d2h h SER 139 N -1.14 0.68 0.15 1.20 0.02 -1.81 -3.34 113.55 109.32 1d2h h SER 139 Ca -0.56 -0.93 -0.03 0.00 -0.84 0.00 0.00 61.79 59.43 1d2h h SER 139 Cb 1.37 -0.22 -0.00 0.00 0.14 0.00 0.00 62.40 63.68 1d2h h SER 139 CO 0.79 1.71 -0.14 0.15 -1.14 0.00 0.00 176.83 178.20 1d2h h PHE 140 N 0.04 0.00 0.00 3.45 3.57 -1.83 -0.93 116.94 121.24 1d2h h PHE 140 Ca -0.29 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.21 1d2h h PHE 140 Cb 2.06 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.80 1d2h h PHE 140 CO 0.13 0.14 0.00 0.00 -2.23 0.00 0.00 178.31 176.34 1d2h n ALA 141 N -2.49 1.96 -0.07 2.41 0.00 -1.25 -2.05 120.51 119.02 1d2h n ALA 141 Ca -0.03 -0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.31 1d2h n ALA 141 Cb 0.21 -1.00 -0.15 0.00 0.00 0.00 0.00 19.45 18.51 1d2h n ALA 141 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1d2h n HIS 142 N -0.51 0.40 -2.21 0.00 8.25 -0.35 0.12 115.22 120.92 1d2h n HIS 142 Ca 0.00 0.14 -0.43 0.00 -0.26 0.00 0.00 57.72 57.17 1d2h n HIS 142 Cb 0.00 -1.07 -0.02 0.00 1.12 0.00 0.00 29.99 30.02 1d2h n HIS 142 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1d2h s LEU 143 N -5.85 3.61 0.67 2.41 2.96 -0.87 -4.80 118.68 116.81 1d2h s LEU 143 Ca -0.11 1.10 -0.11 0.00 -0.22 0.00 0.00 54.13 54.79 1d2h s LEU 143 Cb 0.07 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 43.21 1d2h s LEU 143 CO 0.81 -1.48 1.06 -2.16 -1.32 0.00 0.00 176.35 173.25 1d2h s PRO 144 N 5.10 3.19 -0.81 0.98 0.04 -1.26 -4.78 135.00 137.46 1d2h s PRO 144 Ca 0.68 0.72 -0.01 0.00 0.04 0.00 0.00 61.00 62.43 1d2h s PRO 144 Cb -0.18 -2.04 0.36 0.00 0.04 0.00 0.00 34.50 32.68 1d2h s PRO 144 CO 0.32 -0.86 1.90 -3.47 0.04 0.00 0.00 177.00 174.94 1d2h n ASP 145 N -2.93 7.18 -0.54 6.66 4.64 -1.26 -4.81 116.55 125.48 1d2h n ASP 145 Ca 0.07 -3.82 0.44 0.00 -1.38 0.00 0.00 54.79 50.10 1d2h n ASP 145 Cb 0.55 -1.00 0.74 0.00 -1.04 0.00 0.00 41.12 40.37 1d2h n ASP 145 CO 0.00 0.00 0.00 0.28 -0.82 0.00 0.00 177.20 176.66 1d2h h SER 146 N 3.01 0.10 0.88 1.67 0.02 -1.95 0.52 113.55 117.81 1d2h h SER 146 Ca 0.53 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.54 1d2h h SER 146 Cb 0.14 0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.74 1d2h h SER 146 CO 1.35 -0.07 0.00 0.11 -1.14 0.00 0.00 176.83 177.08 1d2h h LYS 147 N 0.04 0.00 0.00 3.45 1.79 -2.02 -3.47 116.57 116.36 1d2h h LYS 147 Ca 0.83 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.30 1d2h h LYS 147 Cb 3.05 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 33.70 1d2h h LYS 147 CO -0.18 0.00 0.00 0.41 -1.08 0.00 0.00 179.45 178.60 1d2h n GLY 148 N 0.23 2.72 3.79 3.86 0.00 0.18 -4.98 105.19 111.01 1d2h n GLY 148 Ca 0.03 -0.71 -0.36 0.00 0.00 0.00 0.00 46.02 44.97 1d2h n GLY 148 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1d2h s ASP 149 N 0.00 6.00 0.00 1.61 3.84 -1.26 -4.95 116.67 121.91 1d2h s ASP 149 Ca 0.00 0.33 0.00 0.00 -0.00 0.00 0.00 52.55 52.88 1d2h s ASP 149 Cb 0.00 -1.91 0.00 0.00 -1.38 0.00 0.00 42.92 39.63 1d2h s ASP 149 CO 0.00 0.36 0.15 0.00 -0.00 0.00 0.00 175.17 175.68 1d2h n GLN 150 N 2.31 0.20 0.00 2.11 6.02 -1.26 -3.98 117.38 122.78 1d2h n GLN 150 Ca -0.19 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.68 1d2h n GLN 150 Cb 0.54 -1.23 -0.06 0.00 1.02 0.00 0.00 30.24 30.51 1d2h n GLN 150 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1d2h h SER 151 N 1.15 -1.24 -0.16 1.08 4.64 -1.96 0.21 113.55 117.28 1d2h h SER 151 Ca 0.00 0.17 0.05 0.00 -0.47 0.00 0.00 61.79 61.53 1d2h h SER 151 Cb 0.15 0.51 -0.01 0.00 -0.31 0.00 0.00 62.40 62.74 1d2h h SER 151 CO 0.00 -0.41 0.33 -0.33 -0.87 0.00 0.00 176.83 175.55 1d2h h GLU 152 N -0.48 0.00 0.12 4.77 5.08 -1.92 -1.72 114.58 120.43 1d2h h GLU 152 Ca 0.08 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1d2h h GLU 152 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 1d2h h GLU 152 CO -0.38 0.00 -0.06 0.45 -1.00 0.00 0.00 179.01 178.02 1d2h h HIS 153 N 0.00 -0.15 -1.12 4.33 3.86 -0.94 -2.91 115.15 118.22 1d2h h HIS 153 Ca 0.08 -0.00 0.31 0.00 -1.16 0.00 0.00 60.37 59.60 1d2h h HIS 153 Cb 0.74 0.05 -0.08 0.00 1.06 0.00 0.00 27.41 29.18 1d2h h HIS 153 CO 0.00 -0.09 0.76 0.00 0.86 0.00 0.00 177.93 179.46 1d2h h ARG 154 N -0.46 0.19 -0.07 2.45 3.08 -0.59 -1.26 114.38 117.73 1d2h h ARG 154 Ca -0.02 -0.01 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 1d2h h ARG 154 Cb 0.12 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1d2h h ARG 154 CO 0.03 0.13 -0.29 1.25 -1.07 0.00 0.00 179.97 180.02 1d2h h LEU 155 N 0.20 0.37 0.01 3.04 5.85 -1.44 -1.08 115.31 122.25 1d2h h LEU 155 Ca 0.60 -0.64 0.01 0.00 0.84 0.00 0.00 57.88 58.69 1d2h h LEU 155 Cb 1.92 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 42.82 1d2h h LEU 155 CO -0.18 0.95 -0.06 0.00 -0.34 0.00 0.00 178.44 178.81 1d2h h ALA 156 N 0.43 -0.06 -0.97 1.25 0.00 -1.04 0.31 119.26 119.18 1d2h h ALA 156 Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 54.91 54.96 1d2h h ALA 156 Cb 0.94 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.76 1d2h h ALA 156 CO 0.06 -0.55 0.63 -0.07 0.00 0.00 0.00 179.25 179.32 1d2h h LEU 157 N -0.10 0.99 0.88 0.00 -0.00 -1.43 0.37 115.31 116.01 1d2h h LEU 157 Ca 0.02 0.01 -0.04 0.00 -0.00 0.00 0.00 57.88 57.87 1d2h h LEU 157 Cb 0.13 -0.20 0.01 0.00 -0.00 0.00 0.00 40.66 40.60 1d2h h LEU 157 CO -0.06 0.63 -0.43 0.50 -0.00 0.00 0.00 178.44 179.08 1d2h h LYS 158 N 1.12 -1.15 -0.57 1.13 3.64 0.04 0.14 116.57 120.90 1d2h h LYS 158 Ca 0.42 0.08 0.10 0.00 -1.27 0.00 0.00 60.65 59.98 1d2h h LYS 158 Cb 0.19 0.26 -0.08 0.00 -0.41 0.00 0.00 32.23 32.20 1d2h h LYS 158 CO -0.17 -0.77 0.14 -0.91 -2.27 0.00 0.00 179.45 175.47 1d2h h ASN 159 N -1.20 0.04 -0.04 4.20 -0.26 -0.08 0.75 115.58 118.99 1d2h h ASN 159 Ca -0.12 0.10 0.02 0.00 -0.56 0.00 0.00 56.30 55.74 1d2h h ASN 159 Cb 0.92 0.13 -0.03 0.00 -1.06 0.00 0.00 38.32 38.28 1d2h h ASN 159 CO 0.19 0.04 -0.10 0.40 -1.06 0.00 0.00 177.43 176.90 1d2h h ILE 160 N 0.28 0.74 -0.69 2.81 2.04 -0.85 -0.95 117.51 120.89 1d2h h ILE 160 Ca 0.30 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.29 1d2h h ILE 160 Cb 0.42 0.74 -0.04 0.00 -0.74 0.00 0.00 36.82 37.19 1d2h h ILE 160 CO -0.36 0.00 0.46 0.00 0.00 0.00 0.00 178.15 178.25 1d2h h ALA 161 N 0.86 2.13 0.00 1.87 0.00 0.43 0.13 119.26 124.68 1d2h h ALA 161 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1d2h h ALA 161 Cb 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1d2h h ALA 161 CO -0.13 -0.31 0.00 1.03 0.00 0.00 0.00 179.25 179.84 1d2h h SER 162 N 0.37 0.00 -0.19 0.00 0.87 0.53 -1.56 113.55 113.57 1d2h h SER 162 Ca 0.33 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.89 1d2h h SER 162 Cb 0.78 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.74 1d2h h SER 162 CO -0.09 0.00 0.00 0.23 -0.53 0.00 0.00 176.83 176.44 1d2h n MET 163 N -2.64 1.69 -3.65 2.24 2.81 0.45 -4.78 117.12 113.24 1d2h n MET 163 Ca -0.01 -1.04 -0.39 0.00 -1.81 0.00 0.00 57.70 54.45 1d2h n MET 163 Cb 0.14 -1.36 -0.12 0.00 -0.71 0.00 0.00 33.22 31.18 1d2h n MET 163 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1d2h s VAL 164 N -1.76 4.46 0.78 2.03 1.01 -0.59 -1.45 120.40 124.88 1d2h s VAL 164 Ca 0.30 -0.67 -0.12 0.00 0.00 0.00 0.00 61.98 61.49 1d2h s VAL 164 Cb 0.16 -3.38 0.06 0.00 0.00 0.00 0.00 36.38 33.22 1d2h s VAL 164 CO 0.24 -0.07 1.13 0.00 0.00 0.00 0.00 175.10 176.40 1d2h s ARG 165 N 1.56 2.06 1.05 2.72 1.70 -0.58 -4.81 118.95 122.65 1d2h s ARG 165 Ca 0.03 1.39 -0.19 0.00 -0.47 0.00 0.00 55.73 56.49 1d2h s ARG 165 Cb -0.18 -1.86 -0.00 0.00 -0.57 0.00 0.00 34.95 32.34 1d2h s ARG 165 CO 0.06 -1.82 -0.33 -2.30 -1.08 0.00 0.00 175.30 169.82 1d2h n PRO 166 N -3.34 -0.80 -2.44 3.89 -0.02 -1.26 -0.34 135.00 130.69 1d2h n PRO 166 Ca 0.11 -0.22 -0.08 0.00 -2.02 0.00 0.00 63.50 61.29 1d2h n PRO 166 Cb 0.52 -1.51 -0.00 0.00 -0.02 0.00 0.00 33.50 32.49 1d2h n PRO 166 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1d2h n GLY 167 N 2.39 -0.48 3.96 -1.23 0.00 0.86 -4.88 105.19 105.81 1d2h n GLY 167 Ca 0.01 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 1d2h n GLY 167 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1d2h s GLY 168 N -2.01 1.77 0.01 -0.02 0.00 0.54 -4.82 107.32 102.79 1d2h s GLY 168 Ca 0.00 -1.47 0.01 0.00 0.00 0.00 0.00 44.72 43.26 1d2h s GLY 168 CO 0.00 -0.79 -0.05 -2.27 0.00 0.00 0.00 173.10 169.99 1d2h s LEU 169 N -5.53 2.08 -0.06 0.66 2.96 -1.05 -1.26 118.68 116.48 1d2h s LEU 169 Ca 0.70 -0.21 0.01 0.00 -0.22 0.00 0.00 54.13 54.41 1d2h s LEU 169 Cb -0.04 -0.17 0.02 0.00 0.50 0.00 0.00 46.19 46.49 1d2h s LEU 169 CO 0.49 -0.04 -0.07 -0.22 -1.32 0.00 0.00 176.35 175.19 1d2h s LEU 170 N -0.54 1.38 -0.64 -0.68 2.96 0.04 -1.65 118.68 119.56 1d2h s LEU 170 Ca -0.02 -0.21 0.06 0.00 -0.22 0.00 0.00 54.13 53.73 1d2h s LEU 170 Cb -0.04 -0.64 0.23 0.00 0.50 0.00 0.00 46.19 46.24 1d2h s LEU 170 CO -0.00 -0.04 0.68 0.52 -1.32 0.00 0.00 176.35 176.19 1d2h n VAL 171 N 4.14 1.99 -3.41 1.68 0.31 -0.70 -1.17 118.33 121.17 1d2h n VAL 171 Ca -0.21 -5.05 -0.38 0.00 -0.01 0.00 0.00 64.34 58.68 1d2h n VAL 171 Cb 0.51 -2.10 -0.08 0.00 -0.91 0.00 0.00 33.84 31.26 1d2h n VAL 171 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 1d2h s ILE 172 N -2.15 5.21 0.52 2.52 2.07 -0.75 -1.01 121.20 127.60 1d2h s ILE 172 Ca 0.36 0.63 0.04 0.00 -1.41 0.00 0.00 60.65 60.27 1d2h s ILE 172 Cb 0.11 -3.70 0.01 0.00 0.13 0.00 0.00 42.46 39.01 1d2h s ILE 172 CO -0.05 0.24 0.23 1.51 -1.91 0.00 0.00 174.94 174.95 1d2h s ASP 173 N 1.17 4.42 -0.24 4.50 -4.77 -0.92 -1.55 116.67 119.28 1d2h s ASP 173 Ca 0.17 -1.39 -0.29 0.00 -3.30 0.00 0.00 52.55 47.73 1d2h s ASP 173 Cb -0.15 0.38 0.16 0.00 -1.09 0.00 0.00 42.92 42.23 1d2h s ASP 173 CO 0.08 -0.96 1.21 -1.38 0.70 0.00 0.00 175.17 174.82 1d2h s HIS 174 N -2.80 -0.18 0.64 2.11 -3.43 -0.86 -4.35 115.29 106.42 1d2h s HIS 174 Ca 0.23 0.32 -0.18 0.00 -0.80 0.00 0.00 55.06 54.64 1d2h s HIS 174 Cb -0.00 0.47 -0.01 0.00 -1.43 0.00 0.00 32.58 31.61 1d2h s HIS 174 CO 0.14 -0.16 1.29 0.15 -2.00 0.00 0.00 174.74 174.15 1d2h s LYS 175 N -0.98 2.58 -1.20 -0.38 -0.14 -1.26 -1.40 119.74 116.96 1d2h s LYS 175 Ca 0.04 2.04 -0.17 0.00 -1.36 0.00 0.00 55.97 56.52 1d2h s LYS 175 Cb -0.01 -1.85 -0.03 0.00 -1.68 0.00 0.00 37.83 34.25 1d2h s LYS 175 CO -0.04 -1.57 2.10 -1.71 -0.76 0.00 0.00 175.35 173.36 1d2h n ASN 176 N -1.89 3.39 0.26 2.83 4.05 -0.26 -4.65 115.26 118.99 1d2h n ASN 176 Ca 0.16 -2.78 0.17 0.00 0.45 0.00 0.00 54.58 52.58 1d2h n ASN 176 Cb 0.48 -1.46 0.77 0.00 1.23 0.00 0.00 39.78 40.80 1d2h n ASN 176 CO 0.00 0.00 0.00 1.88 -3.05 0.00 0.00 177.26 176.09 1d2h h TYR 177 N 6.82 0.00 -0.04 1.20 0.05 -1.89 -2.90 116.97 120.22 1d2h h TYR 177 Ca 0.51 0.00 0.01 0.00 0.05 0.00 0.00 58.73 59.30 1d2h h TYR 177 Cb 0.66 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 38.37 1d2h h TYR 177 CO 1.37 0.00 -0.32 -0.44 -1.05 0.00 0.00 178.16 177.72 1d2h h ASP 178 N 0.00 -1.01 0.04 3.88 3.45 -1.83 0.16 116.42 121.12 1d2h h ASP 178 Ca 0.00 0.12 0.01 0.00 0.43 0.00 0.00 57.03 57.59 1d2h h ASP 178 Cb 0.33 0.39 -0.04 0.00 -0.56 0.00 0.00 39.33 39.44 1d2h h ASP 178 CO 0.00 -0.30 -0.46 0.22 -1.57 0.00 0.00 179.24 177.13 1d2h h TYR 179 N -0.38 -1.35 -0.74 4.55 5.03 -1.92 0.20 116.97 122.36 1d2h h TYR 179 Ca 0.01 0.04 0.08 0.00 2.58 0.00 0.00 58.73 61.44 1d2h h TYR 179 Cb 0.42 0.58 -0.11 0.00 1.55 0.00 0.00 36.73 39.18 1d2h h TYR 179 CO -0.49 -0.50 -0.56 0.82 -1.32 0.00 0.00 178.16 176.11 1d2h h ILE 180 N -0.61 0.01 0.05 1.81 2.04 -1.48 0.66 117.51 119.98 1d2h h ILE 180 Ca 0.00 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.89 1d2h h ILE 180 Cb 0.64 0.01 -0.05 0.00 -0.74 0.00 0.00 36.82 36.67 1d2h h ILE 180 CO -0.28 0.00 -0.38 -0.07 0.00 0.00 0.00 178.15 177.41 1d2h h LEU 181 N -0.17 -1.14 -2.86 1.44 4.07 -0.25 1.44 115.31 117.83 1d2h h LEU 181 Ca 0.14 0.14 0.00 0.00 0.08 0.00 0.00 57.88 58.24 1d2h h LEU 181 Cb 0.50 0.44 -0.00 0.00 1.08 0.00 0.00 40.66 42.69 1d2h h LEU 181 CO -0.79 -0.44 0.01 -1.28 -1.08 0.00 0.00 178.44 174.85 1d2h h SER 182 N -0.57 0.00 -0.01 -0.43 0.87 0.55 -2.09 113.55 111.86 1d2h h SER 182 Ca 0.04 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 1d2h h SER 182 Cb 0.63 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 1d2h h SER 182 CO -0.27 0.00 -0.04 1.07 -0.53 0.00 0.00 176.83 177.06 1d2h n THR 183 N -3.26 0.00 -0.57 2.23 5.66 0.22 -4.98 114.28 113.57 1d2h n THR 183 Ca -0.03 -0.48 0.00 0.00 -3.05 0.00 0.00 64.05 60.49 1d2h n THR 183 Cb 0.08 1.21 0.00 0.00 -1.55 0.00 0.00 70.33 70.06 1d2h n THR 183 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1d2h n GLY 184 N 0.68 0.00 2.81 1.09 0.00 0.48 -4.90 105.19 105.34 1d2h n GLY 184 Ca 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 1d2h n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d2h s ALA 186 N 1.13 3.49 0.23 0.00 0.00 -1.26 -4.51 121.76 120.84 1d2h s ALA 186 Ca -0.09 -0.86 -0.30 0.00 0.00 0.00 0.00 51.96 50.71 1d2h s ALA 186 Cb -0.13 -3.06 -0.10 0.00 0.00 0.00 0.00 23.12 19.83 1d2h s ALA 186 CO -0.04 -1.17 1.46 -2.14 0.00 0.00 0.00 175.76 173.87 1d2h s PRO 187 N 2.51 4.26 -0.06 0.00 0.02 -1.26 -4.84 135.00 135.63 1d2h s PRO 187 Ca 0.22 2.31 -0.06 0.00 0.02 0.00 0.00 61.00 63.49 1d2h s PRO 187 Cb -0.15 -3.12 -0.04 0.00 0.02 0.00 0.00 34.50 31.21 1d2h s PRO 187 CO 0.13 -0.46 0.18 -1.25 -0.33 0.00 0.00 177.00 175.27 1d2h s PRO 188 N -0.09 3.47 0.00 5.54 0.04 -1.26 -4.58 135.00 138.12 1d2h s PRO 188 Ca 0.61 -0.18 0.00 0.00 0.04 0.00 0.00 61.00 61.47 1d2h s PRO 188 Cb -0.42 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 30.97 1d2h s PRO 188 CO 0.41 0.72 0.00 0.41 0.04 0.00 0.00 177.00 178.58 1d2h n GLY 189 N 1.50 2.33 2.54 0.56 0.00 -1.26 -4.99 105.19 105.86 1d2h n GLY 189 Ca -0.15 -0.16 -0.40 0.00 0.00 0.00 0.00 46.02 45.30 1d2h n GLY 189 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1d2h n LYS 190 N 0.00 3.80 -2.66 1.61 4.01 -1.26 -4.60 118.16 119.06 1d2h n LYS 190 Ca 0.00 -2.88 -0.43 0.00 -0.51 0.00 0.00 58.31 54.49 1d2h n LYS 190 Cb 0.00 -2.86 0.00 0.00 -0.51 0.00 0.00 35.03 31.66 1d2h n LYS 190 CO 0.00 0.00 0.00 -1.71 -1.11 0.00 0.00 177.40 174.58 1d2h n ASN 191 N 3.54 5.47 -0.54 4.39 2.85 -1.26 -4.83 115.26 124.87 1d2h n ASN 191 Ca 0.62 -3.16 0.45 0.00 -0.11 0.00 0.00 54.58 52.38 1d2h n ASN 191 Cb 0.29 -1.44 0.72 0.00 1.24 0.00 0.00 39.78 40.60 1d2h n ASN 191 CO 0.00 0.00 0.00 0.16 -2.11 0.00 0.00 177.26 175.31 1d2h h ILE 192 N 3.80 0.05 -0.66 -1.44 3.07 -1.98 0.50 117.51 120.84 1d2h h ILE 192 Ca 0.32 0.00 -0.05 0.00 1.55 0.00 0.00 64.86 66.68 1d2h h ILE 192 Cb 0.68 0.05 -0.03 0.00 -0.27 0.00 0.00 36.82 37.25 1d2h h ILE 192 CO 1.45 0.00 0.22 1.88 -1.05 0.00 0.00 178.15 180.65 1d2h h TYR 193 N 0.00 1.05 -1.62 0.16 -1.99 -1.97 -3.44 116.97 109.16 1d2h h TYR 193 Ca 0.78 -0.10 0.11 0.00 2.00 0.00 0.00 58.73 61.52 1d2h h TYR 193 Cb 3.39 -0.31 -0.21 0.00 2.00 0.00 0.00 36.73 41.61 1d2h h TYR 193 CO 0.00 0.85 -0.04 0.71 -0.00 0.00 0.00 178.16 179.68 1d2h s TYR 194 N -5.43 -1.17 -0.33 4.88 1.51 0.17 -2.02 117.35 114.96 1d2h s TYR 194 Ca -0.12 1.94 -0.35 0.00 -1.01 0.00 0.00 57.07 57.52 1d2h s TYR 194 Cb 0.14 0.67 -0.11 0.00 -0.11 0.00 0.00 41.96 42.54 1d2h s TYR 194 CO 0.82 -0.58 2.17 1.17 -1.11 0.00 0.00 175.55 178.01 1d2h n LYS 195 N 5.32 1.14 -2.67 -0.62 0.00 -1.24 -4.66 118.16 115.42 1d2h n LYS 195 Ca -0.10 0.32 -0.43 0.00 0.00 0.00 0.00 58.31 58.10 1d2h n LYS 195 Cb 0.50 -2.48 -0.02 0.00 0.00 0.00 0.00 35.03 33.03 1d2h n LYS 195 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 1d2h s SER 196 N 7.12 7.01 -0.12 3.14 1.04 -1.26 -4.90 113.70 125.73 1d2h s SER 196 Ca 1.08 1.22 0.04 0.00 0.48 0.00 0.00 55.95 58.77 1d2h s SER 196 Cb -0.84 -2.53 0.30 0.00 0.10 0.00 0.00 66.02 63.04 1d2h s SER 196 CO 0.49 -0.75 1.11 0.47 0.98 0.00 0.00 173.24 175.55 1d2h n ASP 197 N 6.52 3.00 -4.92 7.02 10.43 -1.26 -4.89 116.55 132.45 1d2h n ASP 197 Ca 0.12 -2.45 -0.30 0.00 2.57 0.00 0.00 54.79 54.73 1d2h n ASP 197 Cb 0.47 -0.59 -0.04 0.00 1.84 0.00 0.00 41.12 42.79 1d2h n ASP 197 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 1d2h s LEU 198 N -1.14 4.32 -0.60 0.64 1.02 -1.26 -5.07 118.68 116.59 1d2h s LEU 198 Ca 0.22 0.32 0.04 0.00 0.02 0.00 0.00 54.13 54.73 1d2h s LEU 198 Cb 0.17 -3.04 0.15 0.00 0.02 0.00 0.00 46.19 43.49 1d2h s LEU 198 CO 0.06 0.10 0.37 -0.89 0.02 0.00 0.00 176.35 176.01 1d2h s THR 199 N -1.63 2.55 0.05 5.49 2.01 -1.26 -5.01 115.64 117.84 1d2h s THR 199 Ca 0.36 -3.70 0.05 0.00 0.31 0.00 0.00 61.69 58.72 1d2h s THR 199 Cb -0.12 -2.72 -0.02 0.00 0.01 0.00 0.00 72.50 69.64 1d2h s THR 199 CO 0.28 -0.92 -0.15 -1.59 -0.69 0.00 0.00 174.62 171.55 1d2h s LYS 200 N -0.79 0.93 0.59 4.92 0.00 -1.26 -1.49 119.74 122.64 1d2h s LYS 200 Ca 0.21 -0.84 -0.07 0.00 0.00 0.00 0.00 55.97 55.28 1d2h s LYS 200 Cb -0.14 -0.95 0.00 0.00 0.00 0.00 0.00 37.83 36.73 1d2h s LYS 200 CO -0.09 0.23 0.91 0.34 0.00 0.00 0.00 175.35 176.75 1d2h s ASP 201 N -1.34 5.69 -0.07 0.03 2.15 -0.70 -4.81 116.67 117.62 1d2h s ASP 201 Ca 0.01 0.82 0.01 0.00 0.43 0.00 0.00 52.55 53.82 1d2h s ASP 201 Cb -0.09 -1.84 0.02 0.00 -0.30 0.00 0.00 42.92 40.72 1d2h s ASP 201 CO 0.02 -1.02 -0.08 -0.63 -0.17 0.00 0.00 175.17 173.29 1d2h s ILE 202 N -3.01 0.86 -0.49 4.11 -1.09 -1.25 -1.38 121.20 118.95 1d2h s ILE 202 Ca 0.54 -0.27 -0.01 0.00 -2.23 0.00 0.00 60.65 58.68 1d2h s ILE 202 Cb -0.11 -0.85 0.13 0.00 -1.58 0.00 0.00 42.46 40.06 1d2h s ILE 202 CO 0.46 0.31 0.27 -0.89 -1.23 0.00 0.00 174.94 173.86 1d2h s THR 203 N 1.09 3.17 -0.08 2.92 2.01 -0.53 -4.90 115.64 119.32 1d2h s THR 203 Ca -0.07 -2.61 -0.30 0.00 0.31 0.00 0.00 61.69 59.02 1d2h s THR 203 Cb -0.14 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.17 1d2h s THR 203 CO -0.01 -0.76 1.45 -0.89 -0.69 0.00 0.00 174.62 173.72 1d2h s THR 204 N 0.47 3.87 -0.38 -0.82 2.01 -1.26 -1.76 115.64 117.77 1d2h s THR 204 Ca 0.13 1.11 0.03 0.00 0.31 0.00 0.00 61.69 63.27 1d2h s THR 204 Cb -0.22 -3.71 0.11 0.00 0.01 0.00 0.00 72.50 68.68 1d2h s THR 204 CO -0.04 -0.07 0.10 -0.44 -0.69 0.00 0.00 174.62 173.48 1d2h s SER 205 N 2.48 4.79 -0.08 3.53 0.01 -0.63 -4.89 113.70 118.91 1d2h s SER 205 Ca 0.64 -2.26 -0.20 0.00 1.31 0.00 0.00 55.95 55.44 1d2h s SER 205 Cb -0.29 -1.66 -0.04 0.00 0.21 0.00 0.00 66.02 64.24 1d2h s SER 205 CO 0.23 -0.38 0.55 -0.69 0.41 0.00 0.00 173.24 173.36 1d2h s VAL 206 N 0.77 5.10 -0.04 3.43 1.01 -1.26 -1.06 120.40 128.35 1d2h s VAL 206 Ca 0.11 1.13 -0.00 0.00 0.00 0.00 0.00 61.98 63.22 1d2h s VAL 206 Cb -0.20 -3.89 -0.03 0.00 0.00 0.00 0.00 36.38 32.25 1d2h s VAL 206 CO -0.06 0.33 0.00 -0.22 0.00 0.00 0.00 175.10 175.15 1d2h s LEU 207 N 0.49 3.56 -0.07 3.92 2.96 0.39 -5.01 118.68 124.92 1d2h s LEU 207 Ca 0.30 0.07 0.03 0.00 -0.22 0.00 0.00 54.13 54.31 1d2h s LEU 207 Cb -0.16 -1.93 0.01 0.00 0.50 0.00 0.00 46.19 44.60 1d2h s LEU 207 CO 0.14 0.33 -0.16 -0.89 -1.32 0.00 0.00 176.35 174.44 1d2h s THR 208 N -0.99 1.41 -0.23 3.68 2.01 -1.26 -1.62 115.64 118.63 1d2h s THR 208 Ca 0.17 -0.66 0.01 0.00 0.31 0.00 0.00 61.69 61.52 1d2h s THR 208 Cb -0.11 -1.25 0.06 0.00 0.01 0.00 0.00 72.50 71.21 1d2h s THR 208 CO 0.07 0.41 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.65 1d2h s VAL 209 N 0.43 1.66 -1.46 3.82 1.01 -0.47 -4.77 120.40 120.63 1d2h s VAL 209 Ca -0.13 -1.27 -0.11 0.00 0.00 0.00 0.00 61.98 60.47 1d2h s VAL 209 Cb -0.15 -1.87 0.06 0.00 0.00 0.00 0.00 36.38 34.41 1d2h s VAL 209 CO 0.04 -0.05 1.01 0.59 0.00 0.00 0.00 175.10 176.69 1d2h n ASN 210 N 4.63 -4.78 -0.01 3.32 5.03 -1.26 -1.69 115.26 120.50 1d2h n ASN 210 Ca -0.13 -0.72 -0.00 0.00 0.87 0.00 0.00 54.58 54.60 1d2h n ASN 210 Cb 0.44 -4.22 -0.00 0.00 -1.02 0.00 0.00 39.78 34.98 1d2h n ASN 210 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1d2h n ASN 211 N -2.91 -3.27 -4.29 6.41 2.85 -1.26 -5.03 115.26 107.76 1d2h n ASN 211 Ca -0.01 0.00 -0.32 0.00 -0.11 0.00 0.00 54.58 54.14 1d2h n ASN 211 Cb 0.55 -0.78 -0.16 0.00 1.24 0.00 0.00 39.78 40.64 1d2h n ASN 211 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1d2h s LYS 212 N -0.27 2.89 -0.47 1.20 2.20 -0.68 -5.06 119.74 119.55 1d2h s LYS 212 Ca 0.00 -0.83 -0.27 0.00 -0.36 0.00 0.00 55.97 54.50 1d2h s LYS 212 Cb 0.00 -2.32 -0.03 0.00 -1.51 0.00 0.00 37.83 33.97 1d2h s LYS 212 CO 0.00 0.30 1.97 0.00 -0.36 0.00 0.00 175.35 177.26 1d2h s ALA 213 N 0.06 2.34 -0.03 3.13 0.00 -1.26 -1.36 121.76 124.64 1d2h s ALA 213 Ca -0.09 -0.13 0.12 0.00 0.00 0.00 0.00 51.96 51.87 1d2h s ALA 213 Cb -0.15 -4.20 -0.20 0.00 0.00 0.00 0.00 23.12 18.57 1d2h s ALA 213 CO 0.06 -3.51 0.85 1.25 0.00 0.00 0.00 175.76 174.41 1d2h h HIS 214 N 15.14 0.00 -1.82 0.00 2.76 -1.65 -3.44 115.15 126.14 1d2h h HIS 214 Ca -0.29 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 57.88 1d2h h HIS 214 Cb 1.19 0.00 -0.21 0.00 1.55 0.00 0.00 27.41 29.94 1d2h h HIS 214 CO 0.99 0.90 0.32 1.41 -1.30 0.00 0.00 177.93 180.25 1d2h s MET 215 N -2.69 0.83 -0.24 5.26 1.75 -1.20 -4.75 119.30 118.26 1d2h s MET 215 Ca -0.03 0.37 0.01 0.00 -1.25 0.00 0.00 55.69 54.79 1d2h s MET 215 Cb 0.08 0.39 0.06 0.00 2.84 0.00 0.00 34.83 38.21 1d2h s MET 215 CO 0.82 -0.22 -0.07 0.08 -0.65 0.00 0.00 175.02 174.97 1d2h s VAL 216 N -0.79 1.70 -0.36 10.11 1.01 -0.60 -0.46 120.40 131.02 1d2h s VAL 216 Ca -0.05 -1.29 -0.03 0.00 0.00 0.00 0.00 61.98 60.61 1d2h s VAL 216 Cb -0.01 -1.90 0.08 0.00 0.00 0.00 0.00 36.38 34.54 1d2h s VAL 216 CO 0.04 -0.04 0.12 -0.89 0.00 0.00 0.00 175.10 174.33 1d2h s THR 217 N 1.32 3.29 -0.09 3.92 2.01 -0.23 -1.61 115.64 124.26 1d2h s THR 217 Ca -0.06 -1.65 -0.18 0.00 0.31 0.00 0.00 61.69 60.11 1d2h s THR 217 Cb -0.19 -3.06 -0.04 0.00 0.01 0.00 0.00 72.50 69.22 1d2h s THR 217 CO -0.06 -0.40 0.49 -0.76 -0.69 0.00 0.00 174.62 173.20 1d2h s LEU 218 N 1.23 4.32 -0.43 4.42 1.02 -0.75 -1.60 118.68 126.90 1d2h s LEU 218 Ca 0.02 0.89 -0.13 0.00 0.02 0.00 0.00 54.13 54.93 1d2h s LEU 218 Cb -0.21 -2.73 0.06 0.00 0.02 0.00 0.00 46.19 43.33 1d2h s LEU 218 CO -0.02 0.04 0.30 -1.81 0.02 0.00 0.00 176.35 174.89 1d2h s ASP 219 N 0.35 5.91 -0.61 2.29 1.01 -0.72 -1.37 116.67 123.53 1d2h s ASP 219 Ca 0.27 -1.25 -0.18 0.00 0.71 0.00 0.00 52.55 52.10 1d2h s ASP 219 Cb -0.16 -2.09 0.12 0.00 1.01 0.00 0.00 42.92 41.80 1d2h s ASP 219 CO 0.12 -0.53 0.69 -0.31 0.21 0.00 0.00 175.17 175.34 1d2h s TYR 220 N 1.56 3.09 -1.14 4.23 1.51 -0.52 -1.45 117.35 124.63 1d2h s TYR 220 Ca 0.03 -1.10 -0.19 0.00 -1.01 0.00 0.00 57.07 54.81 1d2h s TYR 220 Cb -0.22 -3.98 0.10 0.00 -0.11 0.00 0.00 41.96 37.75 1d2h s TYR 220 CO 0.06 -1.24 1.48 0.99 -1.11 0.00 0.00 175.55 175.74 1d2h s THR 221 N 2.33 4.38 0.45 -0.71 2.01 -0.48 -1.64 115.64 121.98 1d2h s THR 221 Ca 0.11 -1.70 -0.23 0.00 0.31 0.00 0.00 61.69 60.18 1d2h s THR 221 Cb -0.24 -5.02 -0.08 0.00 0.01 0.00 0.00 72.50 67.17 1d2h s THR 221 CO 0.04 -1.82 1.16 -0.69 -0.69 0.00 0.00 174.62 172.61 1d2h s VAL 222 N 3.57 3.16 -0.25 3.82 1.01 -0.52 -1.72 120.40 129.48 1d2h s VAL 222 Ca 0.46 0.88 -0.06 0.00 0.00 0.00 0.00 61.98 63.26 1d2h s VAL 222 Cb -0.00 -3.45 -0.01 0.00 0.00 0.00 0.00 36.38 32.92 1d2h s VAL 222 CO -0.02 -0.00 0.03 -1.58 0.00 0.00 0.00 175.10 173.53 1d2h s GLN 223 N -2.65 3.42 -0.52 2.72 0.74 -0.56 -1.88 119.66 120.93 1d2h s GLN 223 Ca 0.63 -0.62 -0.28 0.00 0.05 0.00 0.00 55.36 55.13 1d2h s GLN 223 Cb -0.28 -3.23 0.01 0.00 1.10 0.00 0.00 33.01 30.62 1d2h s GLN 223 CO 0.34 -0.26 1.39 0.54 -0.55 0.00 0.00 175.29 176.76 1d2h s VAL 224 N 1.54 3.84 0.25 1.34 0.11 -0.47 -4.60 120.40 122.41 1d2h s VAL 224 Ca 0.05 0.77 0.17 0.00 -2.93 0.00 0.00 61.98 60.04 1d2h s VAL 224 Cb -0.15 -4.40 0.27 0.00 -1.53 0.00 0.00 36.38 30.57 1d2h s VAL 224 CO 0.01 -1.06 0.96 -2.65 -3.33 0.00 0.00 175.10 169.02 1d2h n PRO 225 N 8.47 -0.03 -3.70 1.54 -0.02 -1.26 -0.81 135.00 139.19 1d2h n PRO 225 Ca 0.13 0.79 -0.30 0.00 -2.02 0.00 0.00 63.50 62.11 1d2h n PRO 225 Cb 0.49 -1.51 -0.14 0.00 -0.02 0.00 0.00 33.50 32.32 1d2h n PRO 225 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1d2h s GLY 226 N -3.82 1.29 0.00 -1.23 0.00 -1.26 -2.76 107.32 99.54 1d2h s GLY 226 Ca -0.05 -2.06 0.00 0.00 0.00 0.00 0.00 44.72 42.61 1d2h s GLY 226 CO 0.49 1.62 0.24 0.00 0.00 0.00 0.00 173.10 175.45 1d2h n ALA 227 N 4.26 0.96 -3.14 3.20 0.00 0.61 -4.54 120.51 121.87 1d2h n ALA 227 Ca 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1d2h n ALA 227 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 1d2h n ALA 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1d2h n GLY 228 N 0.00 2.63 0.00 0.00 0.00 0.44 -3.79 105.19 104.47 1d2h n GLY 228 Ca 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 46.02 43.88 1d2h n GLY 228 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1d2h n ARG 229 N -0.65 0.00 -1.03 1.61 3.00 -1.26 -4.02 116.66 114.30 1d2h n ARG 229 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.85 57.47 1d2h n ARG 229 Cb 0.00 -0.20 -0.05 0.00 0.00 0.00 0.00 32.46 32.21 1d2h n ARG 229 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1d2h n ASP 230 N -0.01 2.98 0.00 6.15 9.92 -1.26 -3.96 116.55 130.36 1d2h n ASP 230 Ca 0.00 -2.59 0.00 0.00 -0.53 0.00 0.00 54.79 51.67 1d2h n ASP 230 Cb 0.00 -1.09 0.00 0.00 -0.64 0.00 0.00 41.12 39.39 1d2h n ASP 230 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1d2h n GLY 231 N 4.36 0.54 3.54 0.44 0.00 -1.26 -4.98 105.19 107.82 1d2h n GLY 231 Ca 0.48 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.20 1d2h n GLY 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d2h s ALA 232 N -2.55 0.07 0.10 4.61 0.00 -1.25 -4.73 121.76 118.01 1d2h s ALA 232 Ca 0.00 0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.10 1d2h s ALA 232 Cb 0.00 -3.32 -0.04 0.00 0.00 0.00 0.00 23.12 19.76 1d2h s ALA 232 CO 0.00 -3.57 0.20 -1.25 0.00 0.00 0.00 175.76 171.15 1d2h s PRO 233 N -4.49 3.29 0.58 0.00 0.04 -1.11 0.17 135.00 133.47 1d2h s PRO 233 Ca 0.68 -0.58 0.06 0.00 0.04 0.00 0.00 61.00 61.19 1d2h s PRO 233 Cb -0.25 -2.92 0.11 0.00 0.04 0.00 0.00 34.50 31.48 1d2h s PRO 233 CO 0.63 0.56 0.80 0.41 0.04 0.00 0.00 177.00 179.44 1d2h n GLY 234 N -0.03 1.48 2.92 0.56 0.00 0.01 -3.32 105.19 106.81 1d2h n GLY 234 Ca -0.07 -2.15 -0.18 0.00 0.00 0.00 0.00 46.02 43.63 1d2h n GLY 234 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1d2h s PHE 235 N -2.49 0.59 -0.21 1.61 0.40 -1.26 -1.37 117.98 115.25 1d2h s PHE 235 Ca 0.58 -0.13 -0.09 0.00 -0.60 0.00 0.00 56.93 56.69 1d2h s PHE 235 Cb -0.04 -0.48 0.08 0.00 0.51 0.00 0.00 43.02 43.09 1d2h s PHE 235 CO 0.37 -0.10 0.47 -1.12 0.70 0.00 0.00 175.22 175.54 1d2h s SER 236 N 0.45 -0.50 0.54 1.36 0.01 -0.79 -4.99 113.70 109.78 1d2h s SER 236 Ca -0.05 1.06 0.02 0.00 1.31 0.00 0.00 55.95 58.29 1d2h s SER 236 Cb -0.09 1.22 0.03 0.00 0.21 0.00 0.00 66.02 67.39 1d2h s SER 236 CO -0.00 -0.22 0.75 -0.75 0.41 0.00 0.00 173.24 173.43 1d2h s LYS 237 N 2.08 2.56 -0.30 12.44 2.20 -1.26 -1.44 119.74 136.02 1d2h s LYS 237 Ca -0.06 -0.85 -0.11 0.00 -0.36 0.00 0.00 55.97 54.59 1d2h s LYS 237 Cb -0.10 -2.52 0.17 0.00 -1.51 0.00 0.00 37.83 33.87 1d2h s LYS 237 CO -0.14 -0.67 0.90 -0.59 -0.36 0.00 0.00 175.35 174.48 1d2h s PHE 238 N -2.72 -0.89 -0.02 4.03 -0.71 -0.65 -4.89 117.98 112.13 1d2h s PHE 238 Ca 0.57 1.22 -0.02 0.00 -1.04 0.00 0.00 56.93 57.66 1d2h s PHE 238 Cb -0.10 0.41 -0.04 0.00 -1.21 0.00 0.00 43.02 42.08 1d2h s PHE 238 CO 0.38 -0.46 0.13 -0.98 -1.34 0.00 0.00 175.22 172.94 1d2h s ARG 239 N 2.73 3.25 0.07 1.99 1.70 -1.26 -1.44 118.95 125.99 1d2h s ARG 239 Ca 0.02 -0.38 0.05 0.00 -0.47 0.00 0.00 55.73 54.95 1d2h s ARG 239 Cb -0.10 -2.99 -0.03 0.00 -0.57 0.00 0.00 34.95 31.27 1d2h s ARG 239 CO -0.16 0.67 -0.13 -1.17 -1.08 0.00 0.00 175.30 173.43 1d2h s LEU 240 N -1.73 2.29 -0.19 -1.89 2.96 -0.47 -4.97 118.68 114.68 1d2h s LEU 240 Ca 0.24 -0.63 -0.02 0.00 -0.22 0.00 0.00 54.13 53.50 1d2h s LEU 240 Cb -0.12 -0.45 -0.01 0.00 0.50 0.00 0.00 46.19 46.11 1d2h s LEU 240 CO 0.15 -0.11 -0.09 -0.44 -1.32 0.00 0.00 176.35 174.54 1d2h s SER 241 N -1.79 4.05 0.26 3.68 0.01 -1.26 -1.80 113.70 116.85 1d2h s SER 241 Ca -0.02 -0.41 0.09 0.00 1.31 0.00 0.00 55.95 56.92 1d2h s SER 241 Cb -0.09 -1.66 -0.05 0.00 0.21 0.00 0.00 66.02 64.42 1d2h s SER 241 CO 0.02 0.04 -0.15 -0.31 0.41 0.00 0.00 173.24 173.25 1d2h s TYR 242 N 1.11 2.04 -0.33 2.43 2.02 -0.63 -4.70 117.35 119.29 1d2h s TYR 242 Ca 0.01 -0.48 -0.17 0.00 -0.37 0.00 0.00 57.07 56.05 1d2h s TYR 242 Cb -0.14 -0.97 -0.01 0.00 -0.40 0.00 0.00 41.96 40.43 1d2h s TYR 242 CO -0.02 0.52 0.46 -0.47 -1.57 0.00 0.00 175.55 174.46 1d2h s TYR 243 N -2.76 3.20 -0.89 2.71 5.04 0.32 -1.55 117.35 123.43 1d2h s TYR 243 Ca 0.27 0.21 -0.24 0.00 -2.44 0.00 0.00 57.07 54.88 1d2h s TYR 243 Cb -0.02 -2.80 -0.19 0.00 0.35 0.00 0.00 41.96 39.30 1d2h s TYR 243 CO 0.12 -0.45 2.15 -0.35 -1.34 0.00 0.00 175.55 175.68 1d2h n PRO 244 N 5.59 0.26 -3.10 4.97 -0.04 -1.26 -4.80 135.00 136.61 1d2h n PRO 244 Ca -0.06 -1.16 -0.40 0.00 -0.04 0.00 0.00 63.50 61.84 1d2h n PRO 244 Cb 0.49 -3.47 -0.05 0.00 -0.04 0.00 0.00 33.50 30.43 1d2h n PRO 244 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 1d2h s HIS 245 N 14.22 3.44 0.07 0.54 3.76 -1.26 -4.98 115.29 131.08 1d2h s HIS 245 Ca 0.83 1.03 -0.03 0.00 -0.15 0.00 0.00 55.06 56.73 1d2h s HIS 245 Cb -0.12 -2.79 -0.05 0.00 1.11 0.00 0.00 32.58 30.73 1d2h s HIS 245 CO 0.16 -0.08 0.28 0.00 -0.85 0.00 0.00 174.74 174.24 1d2h h LEU 247 N 3.26 -1.25 -0.54 0.00 5.85 -1.97 0.32 115.31 120.98 1d2h h LEU 247 Ca -0.47 0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.50 1d2h h LEU 247 Cb 1.17 0.56 -0.08 0.00 0.37 0.00 0.00 40.66 42.68 1d2h h LEU 247 CO 0.72 -0.36 -0.43 0.00 -0.34 0.00 0.00 178.44 178.03 1d2h h ALA 248 N 0.52 -0.53 0.54 1.25 0.00 -1.98 0.83 119.26 119.88 1d2h h ALA 248 Ca 0.14 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1d2h h ALA 248 Cb 0.57 1.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.50 1d2h h ALA 248 CO -0.53 -0.79 -0.51 1.03 0.00 0.00 0.00 179.25 178.45 1d2h h SER 249 N -0.14 -1.39 0.02 0.00 0.87 -1.87 -1.65 113.55 109.39 1d2h h SER 249 Ca 0.09 0.11 0.02 0.00 -1.23 0.00 0.00 61.79 60.77 1d2h h SER 249 Cb 0.37 0.45 -0.05 0.00 -0.44 0.00 0.00 62.40 62.74 1d2h h SER 249 CO -0.58 -0.69 -0.46 0.15 -0.53 0.00 0.00 176.83 174.72 1d2h h PHE 250 N -1.04 -1.36 -0.94 2.24 3.57 -0.36 0.96 116.94 120.01 1d2h h PHE 250 Ca -0.07 0.04 0.21 0.00 3.53 0.00 0.00 57.97 61.68 1d2h h PHE 250 Cb 0.90 0.59 -0.18 0.00 2.79 0.00 0.00 35.95 40.05 1d2h h PHE 250 CO -0.24 -0.50 -0.15 1.15 -2.23 0.00 0.00 178.31 176.34 1d2h h THR 251 N -0.59 0.07 0.00 4.41 2.02 0.68 0.75 112.91 120.25 1d2h h THR 251 Ca 0.01 -0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1d2h h THR 251 Cb 0.63 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.10 1d2h h THR 251 CO -0.30 0.00 0.00 1.21 0.37 0.00 0.00 175.52 176.80 1d2h n GLU 252 N -5.55 0.00 -0.29 6.66 2.13 -0.25 -2.94 120.64 120.39 1d2h n GLU 252 Ca 0.17 0.45 0.28 0.00 0.66 0.00 0.00 57.16 58.71 1d2h n GLU 252 Cb 0.54 -1.41 0.49 0.00 0.27 0.00 0.00 31.44 31.33 1d2h n GLU 252 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 1d2h n LEU 253 N -1.85 0.24 0.17 4.31 7.94 0.32 -1.79 117.00 126.33 1d2h n LEU 253 Ca 0.00 1.25 -0.11 0.00 -1.11 0.00 0.00 56.01 56.03 1d2h n LEU 253 Cb 0.00 -0.61 -0.07 0.00 0.53 0.00 0.00 43.42 43.27 1d2h n LEU 253 CO 0.00 -1.38 0.38 1.62 -1.11 0.00 0.00 177.39 176.90 1d2h h VAL 254 N 0.00 0.42 -0.18 1.96 3.04 0.50 -3.24 116.25 118.76 1d2h h VAL 254 Ca 0.68 -0.70 0.05 0.00 -1.01 0.00 0.00 66.70 65.73 1d2h h VAL 254 Cb 1.94 0.66 -0.01 0.00 -2.01 0.00 0.00 31.29 31.87 1d2h h VAL 254 CO -0.53 0.09 0.19 1.56 -1.01 0.00 0.00 177.57 177.86 1d2h h GLN 255 N -0.98 0.00 0.83 4.17 4.20 -1.23 -2.79 115.11 119.30 1d2h h GLN 255 Ca -0.05 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.62 1d2h h GLN 255 Cb 0.52 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.31 1d2h h GLN 255 CO 0.08 0.00 -0.41 1.49 -0.67 0.00 0.00 178.83 179.32 1d2h h GLU 256 N 0.00 -1.08 -0.80 1.46 4.81 -1.53 0.99 114.58 118.43 1d2h h GLU 256 Ca 0.08 0.07 0.23 0.00 -0.13 0.00 0.00 59.36 59.62 1d2h h GLU 256 Cb 0.45 0.25 -0.03 0.00 0.63 0.00 0.00 28.75 30.05 1d2h h GLU 256 CO -0.00 -0.72 0.82 0.00 -0.73 0.00 0.00 179.01 178.38 1d2h h ALA 257 N -0.95 2.63 0.21 2.92 0.00 -1.56 0.80 119.26 123.30 1d2h h ALA 257 Ca -0.11 -0.03 -0.32 0.00 0.00 0.00 0.00 54.91 54.45 1d2h h ALA 257 Cb 0.87 0.06 0.03 0.00 0.00 0.00 0.00 17.79 18.75 1d2h h ALA 257 CO 0.18 -1.23 -1.40 0.74 0.00 0.00 0.00 179.25 177.53 1d2h h PHE 258 N 0.00 0.84 -0.96 0.00 0.04 -1.14 -3.45 116.94 112.26 1d2h h PHE 258 Ca 0.38 -0.61 0.00 0.00 2.80 0.00 0.00 57.97 60.55 1d2h h PHE 258 Cb 2.02 -0.04 0.00 0.00 2.20 0.00 0.00 35.95 40.13 1d2h h PHE 258 CO 0.00 1.47 0.00 0.41 -0.60 0.00 0.00 178.31 179.59 1d2h n GLY 259 N 1.64 0.74 4.31 -1.45 0.00 0.28 -3.85 105.19 106.86 1d2h n GLY 259 Ca -0.14 -0.39 0.00 0.00 0.00 0.00 0.00 46.02 45.49 1d2h n GLY 259 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d2h n GLY 260 N -0.48 0.00 2.80 -0.02 0.00 -1.17 -4.82 105.19 101.50 1d2h n GLY 260 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1d2h n GLY 260 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1d2h n ARG 261 N -1.78 3.97 -0.87 1.61 1.74 -1.25 -4.91 116.66 115.17 1d2h n ARG 261 Ca 0.00 -3.69 0.00 0.00 -0.77 0.00 0.00 57.85 53.39 1d2h n ARG 261 Cb 0.00 -2.80 0.00 0.00 -1.02 0.00 0.00 32.46 28.64 1d2h n ARG 261 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1d2h s GLN 263 N -0.88 0.28 0.22 0.00 -0.21 -0.65 -4.65 119.66 113.77 1d2h s GLN 263 Ca 0.00 -0.68 -0.09 0.00 0.02 0.00 0.00 55.36 54.61 1d2h s GLN 263 Cb 0.00 -1.15 -0.07 0.00 1.00 0.00 0.00 33.01 32.79 1d2h s GLN 263 CO 0.00 -1.06 0.53 -1.58 -2.12 0.00 0.00 175.29 171.05 1d2h s HIS 264 N 1.89 3.43 -0.28 0.91 5.65 -1.26 -1.73 115.29 123.89 1d2h s HIS 264 Ca 0.11 0.83 -0.18 0.00 0.25 0.00 0.00 55.06 56.07 1d2h s HIS 264 Cb -0.17 -2.23 0.11 0.00 -1.18 0.00 0.00 32.58 29.11 1d2h s HIS 264 CO -0.28 0.29 0.84 -1.54 -0.65 0.00 0.00 174.74 173.40 1d2h s SER 265 N -2.37 -0.70 -0.11 9.88 1.04 -0.88 -5.01 113.70 115.55 1d2h s SER 265 Ca 0.47 1.18 0.02 0.00 0.48 0.00 0.00 55.95 58.09 1d2h s SER 265 Cb -0.11 1.27 -0.01 0.00 0.10 0.00 0.00 66.02 67.26 1d2h s SER 265 CO 0.22 -0.19 -0.17 0.54 0.98 0.00 0.00 173.24 174.62 1d2h s VAL 266 N 1.18 2.72 0.20 5.02 0.11 -1.26 -1.35 120.40 127.02 1d2h s VAL 266 Ca -0.07 -0.79 -0.05 0.00 -2.93 0.00 0.00 61.98 58.15 1d2h s VAL 266 Cb -0.05 -2.10 -0.05 0.00 -1.53 0.00 0.00 36.38 32.65 1d2h s VAL 266 CO -0.14 0.54 0.44 -0.76 -3.33 0.00 0.00 175.10 171.86 1d2h s LEU 267 N 0.20 4.20 -0.01 2.54 1.02 -0.25 -3.88 118.68 122.49 1d2h s LEU 267 Ca -0.10 0.62 -0.13 0.00 0.02 0.00 0.00 54.13 54.54 1d2h s LEU 267 Cb -0.16 -3.38 -0.07 0.00 0.02 0.00 0.00 46.19 42.60 1d2h s LEU 267 CO 0.06 -0.04 0.69 1.23 0.02 0.00 0.00 176.35 178.31 1d2h h GLY 268 N 2.36 -0.48 0.00 -3.19 0.00 -1.37 -2.19 103.07 98.19 1d2h h GLY 268 Ca -0.47 0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1d2h h GLY 268 CO 0.70 -0.18 -0.69 1.22 0.00 0.00 0.00 176.54 177.59 1d2h n ASP 269 N -4.17 0.57 0.00 0.19 8.00 -1.26 -3.82 116.55 116.06 1d2h n ASP 269 Ca -0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.44 1d2h n ASP 269 Cb 0.18 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.28 1d2h n ASP 269 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1d2h n PHE 270 N -2.71 0.00 -4.56 1.24 0.99 -1.26 -4.90 117.46 106.26 1d2h n PHE 270 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.45 57.19 1d2h n PHE 270 Cb 0.35 0.11 -0.11 0.00 -1.00 0.00 0.00 39.48 38.83 1d2h n PHE 270 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 1d2h s LYS 271 N 0.00 1.84 0.12 -1.08 -0.14 -1.26 -5.05 119.74 114.17 1d2h s LYS 271 Ca 0.00 -2.01 -0.32 0.00 -1.36 0.00 0.00 55.97 52.28 1d2h s LYS 271 Cb 0.00 -1.50 -0.12 0.00 -1.68 0.00 0.00 37.83 34.53 1d2h s LYS 271 CO 0.00 -0.02 1.77 -2.30 -0.76 0.00 0.00 175.35 174.04 1d2h n PRO 272 N -0.85 2.58 -3.93 -1.68 -0.02 -1.26 -1.09 135.00 128.75 1d2h n PRO 272 Ca -0.05 0.94 -0.35 0.00 -2.02 0.00 0.00 63.50 62.01 1d2h n PRO 272 Cb 0.66 -2.79 -0.13 0.00 -0.02 0.00 0.00 33.50 31.22 1d2h n PRO 272 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1d2h s TYR 273 N 2.21 3.06 -0.04 6.00 5.04 -1.25 -4.68 117.35 127.69 1d2h s TYR 273 Ca 0.81 -0.46 0.07 0.00 -2.44 0.00 0.00 57.07 55.05 1d2h s TYR 273 Cb -0.55 -2.15 -0.02 0.00 0.35 0.00 0.00 41.96 39.59 1d2h s TYR 273 CO 0.38 -0.29 -0.25 1.03 -1.34 0.00 0.00 175.55 175.08 1d2h s ARG 274 N 1.25 2.29 0.32 4.97 3.00 -1.26 -4.89 118.95 124.64 1d2h s ARG 274 Ca 0.04 -0.91 -0.28 0.00 0.00 0.00 0.00 55.73 54.58 1d2h s ARG 274 Cb -0.15 -2.11 -0.13 0.00 0.00 0.00 0.00 34.95 32.57 1d2h s ARG 274 CO 0.02 0.50 1.18 -2.30 0.00 0.00 0.00 175.30 174.70 1d2h n PRO 275 N 2.61 1.83 0.00 3.54 -0.02 -1.26 -1.85 135.00 139.86 1d2h n PRO 275 Ca -0.17 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 1d2h n PRO 275 Cb 0.51 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 1d2h n PRO 275 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1d2h n GLY 276 N 0.94 2.79 3.65 -1.23 0.00 -1.26 -4.98 105.19 105.09 1d2h n GLY 276 Ca 0.06 0.00 -0.61 0.00 0.00 0.00 0.00 46.02 45.48 1d2h n GLY 276 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d2h n GLN 277 N -0.59 0.41 -0.45 1.61 10.64 -0.77 -4.77 117.38 123.46 1d2h n GLN 277 Ca 0.00 0.15 0.38 0.00 -1.83 0.00 0.00 57.00 55.69 1d2h n GLN 277 Cb 0.00 -1.71 0.69 0.00 -0.86 0.00 0.00 30.24 28.36 1d2h n GLN 277 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1d2h h ALA 278 N 4.80 2.99 -2.33 2.61 0.00 -1.93 -3.41 119.26 121.98 1d2h h ALA 278 Ca -0.47 0.03 -0.55 0.00 0.00 0.00 0.00 54.91 53.92 1d2h h ALA 278 Cb 1.37 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.28 1d2h h ALA 278 CO 0.85 -1.49 0.73 -0.47 0.00 0.00 0.00 179.25 178.86 1d2h s TYR 279 N -5.15 3.12 -0.59 0.00 6.14 -1.26 -4.99 117.35 114.62 1d2h s TYR 279 Ca -0.07 1.13 -0.20 0.00 0.64 0.00 0.00 57.07 58.57 1d2h s TYR 279 Cb 0.27 -3.48 0.09 0.00 0.42 0.00 0.00 41.96 39.26 1d2h s TYR 279 CO 0.83 -1.58 0.75 0.08 0.64 0.00 0.00 175.55 176.27 1d2h s VAL 280 N 2.22 4.73 1.31 3.14 1.01 -1.26 -5.05 120.40 126.49 1d2h s VAL 280 Ca 0.58 -0.80 -0.21 0.00 0.00 0.00 0.00 61.98 61.55 1d2h s VAL 280 Cb -0.26 -4.51 0.33 0.00 0.00 0.00 0.00 36.38 31.94 1d2h s VAL 280 CO 0.23 -1.15 1.01 -2.84 0.00 0.00 0.00 175.10 172.35 1d2h s PRO 281 N 2.96 -2.10 0.00 2.72 0.02 -1.26 -5.01 135.00 132.33 1d2h s PRO 281 Ca 0.14 0.10 0.00 0.00 0.02 0.00 0.00 61.00 61.26 1d2h s PRO 281 Cb -0.22 -1.48 0.00 0.00 0.02 0.00 0.00 34.50 32.82 1d2h s PRO 281 CO 0.08 -4.32 0.00 0.00 -0.33 0.00 0.00 177.00 172.43 1d2h s TYR 283 N -1.69 1.00 -0.06 0.00 1.51 -1.25 -1.10 117.35 115.76 1d2h s TYR 283 Ca 0.00 -0.96 -0.30 0.00 -1.01 0.00 0.00 57.07 54.80 1d2h s TYR 283 Cb 0.00 -1.10 -0.02 0.00 -0.11 0.00 0.00 41.96 40.73 1d2h s TYR 283 CO 0.00 -0.67 1.00 -0.06 -1.11 0.00 0.00 175.55 174.71 1d2h s PHE 284 N 1.87 3.57 -0.33 2.71 2.99 -0.49 -4.09 117.98 124.21 1d2h s PHE 284 Ca 0.02 1.64 -0.05 0.00 0.00 0.00 0.00 56.93 58.54 1d2h s PHE 284 Cb -0.17 -3.16 0.05 0.00 0.00 0.00 0.00 43.02 39.74 1d2h s PHE 284 CO -0.14 -0.14 0.08 0.42 -0.00 0.00 0.00 175.22 175.45 1d2h s ILE 285 N 1.61 3.52 -0.26 0.64 1.01 -0.82 -2.03 121.20 124.86 1d2h s ILE 285 Ca 0.50 -1.28 -0.15 0.00 0.00 0.00 0.00 60.65 59.72 1d2h s ILE 285 Cb -0.19 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.21 1d2h s ILE 285 CO 0.22 -0.20 0.39 -1.00 0.00 0.00 0.00 174.94 174.35 1d2h s HIS 286 N 1.34 3.26 -0.13 3.97 3.76 -0.60 -1.09 115.29 125.80 1d2h s HIS 286 Ca -0.02 0.46 -0.01 0.00 -0.15 0.00 0.00 55.06 55.35 1d2h s HIS 286 Cb -0.20 -2.58 -0.02 0.00 1.11 0.00 0.00 32.58 30.89 1d2h s HIS 286 CO 0.01 -0.20 -0.12 0.54 -0.85 0.00 0.00 174.74 174.12 1d2h s VAL 287 N 1.99 3.16 -0.16 -0.90 0.11 -0.46 -1.81 120.40 122.33 1d2h s VAL 287 Ca 0.16 -0.62 0.01 0.00 -2.93 0.00 0.00 61.98 58.59 1d2h s VAL 287 Cb -0.16 -2.33 0.02 0.00 -1.53 0.00 0.00 36.38 32.38 1d2h s VAL 287 CO 0.09 0.52 -0.16 -0.76 -3.33 0.00 0.00 175.10 171.47 1d2h s LEU 288 N 0.32 1.82 -1.16 2.54 2.01 -0.31 -2.07 118.68 121.84 1d2h s LEU 288 Ca -0.10 -0.54 -0.12 0.00 0.01 0.00 0.00 54.13 53.38 1d2h s LEU 288 Cb -0.16 -1.27 0.21 0.00 0.01 0.00 0.00 46.19 44.99 1d2h s LEU 288 CO 0.05 -0.04 1.28 -0.75 1.01 0.00 0.00 176.35 177.91 1d2h s LYS 289 N 1.43 4.12 -0.70 1.70 2.47 -0.71 -0.78 119.74 127.28 1d2h s LYS 289 Ca 0.05 -2.82 -0.28 0.00 -1.56 0.00 0.00 55.97 51.36 1d2h s LYS 289 Cb -0.13 -4.84 -0.13 0.00 -1.46 0.00 0.00 37.83 31.27 1d2h s LYS 289 CO -0.11 -1.54 2.53 1.17 0.16 0.00 0.00 175.35 177.55 1d2h n LYS 290 N 4.44 0.62 -3.16 4.03 3.00 -0.39 -1.64 118.16 125.06 1d2h n LYS 290 Ca 0.31 -0.02 -0.43 0.00 -0.00 0.00 0.00 58.31 58.17 1d2h n LYS 290 Cb 0.42 -2.69 -0.00 0.00 0.00 0.00 0.00 35.03 32.76 1d2h n LYS 290 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1d2h n THR 291 N 7.80 4.86 -0.22 3.15 -2.24 -0.76 -0.10 114.28 126.77 1d2h n THR 291 Ca 0.49 -5.69 0.00 0.00 -2.27 0.00 0.00 64.05 56.58 1d2h n THR 291 Cb 0.34 -2.26 0.00 0.00 -2.10 0.00 0.00 70.33 66.31 1d2h n THR 291 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11