#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d23 n GLY 2 N 0.00 0.91 2.98 0.46 0.00 -1.26 -5.08 105.19 103.21 3d23 n GLY 2 Ca 0.00 -1.83 -0.12 0.00 0.00 0.00 0.00 46.02 44.07 3d23 n GLY 2 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3d23 s ILE 3 N -2.62 0.02 0.10 -0.61 -5.25 -1.26 -4.91 121.20 106.67 3d23 s ILE 3 Ca 0.00 -0.19 -0.07 0.00 -0.99 0.00 0.00 60.65 59.40 3d23 s ILE 3 Cb 0.00 -0.18 -0.01 0.00 2.95 0.00 0.00 42.46 45.21 3d23 s ILE 3 CO 0.00 -0.11 0.17 0.68 -1.79 0.00 0.00 174.94 173.89 3d23 s VAL 4 N -0.31 0.13 -0.89 8.37 -7.23 -1.26 -5.07 120.40 114.14 3d23 s VAL 4 Ca -0.04 -1.38 -0.25 0.00 -1.81 0.00 0.00 61.98 58.51 3d23 s VAL 4 Cb -0.03 -1.54 0.01 0.00 0.56 0.00 0.00 36.38 35.39 3d23 s VAL 4 CO 0.00 -0.60 1.60 -0.54 -0.31 0.00 0.00 175.10 175.25 3d23 s LYS 5 N -3.91 3.13 -0.36 4.82 -0.14 -1.26 -4.97 119.74 117.05 3d23 s LYS 5 Ca 0.10 -0.54 -0.29 0.00 -1.36 0.00 0.00 55.97 53.88 3d23 s LYS 5 Cb 0.05 -4.96 0.00 0.00 -1.68 0.00 0.00 37.83 31.25 3d23 s LYS 5 CO -0.07 -2.58 1.42 1.41 -0.76 0.00 0.00 175.35 174.77 3d23 s MET 6 N 5.90 3.67 0.10 1.68 -2.45 -1.26 -4.82 119.30 122.12 3d23 s MET 6 Ca 0.53 1.09 -0.25 0.00 -1.25 0.00 0.00 55.69 55.82 3d23 s MET 6 Cb -0.05 -4.00 -0.07 0.00 1.25 0.00 0.00 34.83 31.97 3d23 s MET 6 CO 0.00 -1.45 0.76 0.08 1.05 0.00 0.00 175.02 175.47 3d23 s VAL 7 N 5.21 4.57 0.61 10.11 1.01 -1.26 -4.88 120.40 135.78 3d23 s VAL 7 Ca 0.62 1.64 -0.19 0.00 0.00 0.00 0.00 61.98 64.05 3d23 s VAL 7 Cb -0.16 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.08 3d23 s VAL 7 CO 0.30 0.44 1.27 -0.44 0.00 0.00 0.00 175.10 176.67 3d23 s SER 8 N -0.58 4.94 0.84 3.32 0.01 -1.26 -5.00 113.70 115.97 3d23 s SER 8 Ca 0.37 2.56 -0.13 0.00 1.31 0.00 0.00 55.95 60.05 3d23 s SER 8 Cb -0.22 -2.61 0.06 0.00 0.21 0.00 0.00 66.02 63.47 3d23 s SER 8 CO 0.24 -1.77 0.95 -2.65 0.41 0.00 0.00 173.24 170.42 3d23 n PRO 9 N -1.63 0.02 0.00 12.44 -0.02 -1.26 -4.97 135.00 139.59 3d23 n PRO 9 Ca 0.14 0.08 0.05 0.00 -2.02 0.00 0.00 63.50 61.75 3d23 n PRO 9 Cb 0.48 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.73 3d23 n PRO 9 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3d23 n THR 10 N -3.35 0.00 -0.27 3.45 -2.24 -1.26 -4.76 114.28 105.86 3d23 n THR 10 Ca 0.12 -0.40 -0.06 0.00 -2.27 0.00 0.00 64.05 61.44 3d23 n THR 10 Cb 0.51 1.14 0.06 0.00 -2.10 0.00 0.00 70.33 69.93 3d23 n THR 10 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3d23 h SER 11 N 1.29 0.94 0.69 3.42 4.64 -2.00 0.45 113.55 122.99 3d23 h SER 11 Ca 0.00 -0.12 -0.01 0.00 -0.47 0.00 0.00 61.79 61.19 3d23 h SER 11 Cb 0.38 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 62.23 3d23 h SER 11 CO 0.00 0.80 -0.04 0.11 -0.87 0.00 0.00 176.83 176.83 3d23 h LYS 12 N 1.02 0.00 0.02 4.77 1.57 -1.97 -3.26 116.57 118.72 3d23 h LYS 12 Ca 0.25 0.00 -0.36 0.00 -1.87 0.00 0.00 60.65 58.67 3d23 h LYS 12 Cb 0.10 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.35 3d23 h LYS 12 CO -0.03 0.04 -2.23 -0.89 -0.57 0.00 0.00 179.45 175.77 3d23 n ILE 13 N -3.20 1.54 -0.12 1.86 -0.00 0.11 -4.47 119.36 115.07 3d23 n ILE 13 Ca -0.01 -0.71 -0.05 0.00 -0.00 0.00 0.00 62.75 61.98 3d23 n ILE 13 Cb 0.26 -1.13 0.02 0.00 -0.00 0.00 0.00 39.64 38.79 3d23 n ILE 13 CO 0.00 0.00 0.00 -0.33 -0.00 0.00 0.00 176.55 176.22 3d23 h GLU 14 N 0.01 -0.02 0.00 0.38 5.08 -0.36 -0.81 114.58 118.87 3d23 h GLU 14 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 3d23 h GLU 14 Cb 2.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.31 3d23 h GLU 14 CO 0.01 -0.01 0.00 -0.35 -1.00 0.00 0.00 179.01 177.66 3d23 n PRO 15 N -5.32 0.14 0.00 2.33 -0.04 -1.26 -0.88 135.00 129.98 3d23 n PRO 15 Ca 0.02 0.52 0.15 0.00 -0.04 0.00 0.00 63.50 64.15 3d23 n PRO 15 Cb 0.23 -1.86 0.77 0.00 -0.04 0.00 0.00 33.50 32.60 3d23 n PRO 15 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3d23 s ILE 17 N -2.34 5.06 0.24 0.00 -1.09 -0.06 -1.18 121.20 121.83 3d23 s ILE 17 Ca 0.35 0.73 0.10 0.00 -2.23 0.00 0.00 60.65 59.60 3d23 s ILE 17 Cb 0.21 -3.86 -0.04 0.00 -1.58 0.00 0.00 42.46 37.18 3d23 s ILE 17 CO 0.43 0.01 -0.09 0.68 -1.23 0.00 0.00 174.94 174.74 3d23 s VAL 18 N 2.33 3.09 0.04 2.92 -7.23 -0.56 -4.76 120.40 116.24 3d23 s VAL 18 Ca 0.20 -1.96 -0.12 0.00 -1.81 0.00 0.00 61.98 58.30 3d23 s VAL 18 Cb -0.16 -2.60 -0.06 0.00 0.56 0.00 0.00 36.38 34.13 3d23 s VAL 18 CO 0.10 -0.29 0.39 -0.94 -0.31 0.00 0.00 175.10 174.06 3d23 s SER 19 N -3.33 6.69 -0.09 4.85 1.04 -0.47 0.08 113.70 122.47 3d23 s SER 19 Ca 0.29 0.84 0.02 0.00 0.48 0.00 0.00 55.95 57.58 3d23 s SER 19 Cb -0.07 -2.20 0.01 0.00 0.10 0.00 0.00 66.02 63.86 3d23 s SER 19 CO 0.17 0.24 -0.16 -0.69 0.98 0.00 0.00 173.24 173.78 3d23 s VAL 20 N -1.26 1.51 0.03 5.02 1.01 0.70 -2.34 120.40 125.07 3d23 s VAL 20 Ca 0.29 -0.68 0.06 0.00 0.00 0.00 0.00 61.98 61.64 3d23 s VAL 20 Cb -0.15 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.85 3d23 s VAL 20 CO 0.16 0.44 -0.17 -0.89 0.00 0.00 0.00 175.10 174.64 3d23 s THR 21 N 0.72 1.37 -0.27 3.92 2.01 -0.71 -0.54 115.64 122.13 3d23 s THR 21 Ca -0.12 -0.98 -0.00 0.00 0.31 0.00 0.00 61.69 60.89 3d23 s THR 21 Cb -0.16 -1.19 0.16 0.00 0.01 0.00 0.00 72.50 71.32 3d23 s THR 21 CO 0.03 0.18 0.44 -0.47 -0.69 0.00 0.00 174.62 174.11 3d23 s TYR 22 N -0.69 -1.10 0.00 4.92 5.04 -1.00 -2.41 117.35 122.10 3d23 s TYR 22 Ca 0.05 0.83 0.00 0.00 -2.44 0.00 0.00 57.07 55.51 3d23 s TYR 22 Cb -0.08 0.08 0.00 0.00 0.35 0.00 0.00 41.96 42.31 3d23 s TYR 22 CO 0.01 -0.87 0.00 0.41 -1.34 0.00 0.00 175.55 173.76 3d23 n GLY 23 N 5.38 2.06 0.12 8.97 0.00 -1.26 -3.59 105.19 116.87 3d23 n GLY 23 Ca -0.01 -0.22 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 3d23 n GLY 23 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3d23 n SER 24 N 9.82 1.97 -4.71 1.61 3.41 -1.26 -4.93 113.62 119.52 3d23 n SER 24 Ca 0.00 0.32 -0.42 0.00 -0.26 0.00 0.00 58.87 58.51 3d23 n SER 24 Cb 0.00 -0.90 -0.03 0.00 -0.26 0.00 0.00 64.21 63.02 3d23 n SER 24 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3d23 s MET 25 N -2.45 4.39 -0.26 4.33 -1.94 -1.24 -5.03 119.30 117.10 3d23 s MET 25 Ca -0.27 1.87 -0.06 0.00 -1.71 0.00 0.00 55.69 55.53 3d23 s MET 25 Cb 0.07 -3.32 -0.00 0.00 2.01 0.00 0.00 34.83 33.58 3d23 s MET 25 CO 0.66 -0.33 0.03 0.99 -0.01 0.00 0.00 175.02 176.36 3d23 s THR 26 N 1.12 3.78 0.00 2.05 2.01 -1.26 -2.37 115.64 120.97 3d23 s THR 26 Ca 0.61 -0.54 0.00 0.00 0.31 0.00 0.00 61.69 62.06 3d23 s THR 26 Cb -0.32 -2.84 0.00 0.00 0.01 0.00 0.00 72.50 69.35 3d23 s THR 26 CO 0.29 0.25 0.00 0.00 -0.69 0.00 0.00 174.62 174.47 3d23 n LEU 27 N 4.84 0.00 -4.41 4.42 -0.00 0.30 -4.80 117.00 117.35 3d23 n LEU 27 Ca -0.16 0.00 -0.29 0.00 -0.00 0.00 0.00 56.01 55.56 3d23 n LEU 27 Cb 0.49 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.79 3d23 n LEU 27 CO 0.30 0.00 -0.55 0.20 -0.00 0.00 0.00 177.39 177.34 3d23 s ASN 28 N 1.00 3.46 0.25 1.45 0.01 -0.48 -0.22 114.94 120.42 3d23 s ASN 28 Ca 0.00 -0.69 0.01 0.00 -0.71 0.00 0.00 52.86 51.47 3d23 s ASN 28 Cb 0.00 -0.31 -0.05 0.00 0.41 0.00 0.00 41.25 41.30 3d23 s ASN 28 CO 0.00 0.19 0.12 -0.83 -1.51 0.00 0.00 177.10 175.06 3d23 s GLY 29 N -2.01 1.71 -0.16 0.66 0.00 0.11 -4.24 107.32 103.39 3d23 s GLY 29 Ca 0.15 -1.81 -0.00 0.00 0.00 0.00 0.00 44.72 43.05 3d23 s GLY 29 CO 0.07 -1.54 -0.14 -2.27 0.00 0.00 0.00 173.10 169.22 3d23 s LEU 30 N -3.28 2.55 -0.31 0.66 2.96 -0.55 -1.49 118.68 119.21 3d23 s LEU 30 Ca 0.38 -0.45 -0.08 0.00 -0.22 0.00 0.00 54.13 53.75 3d23 s LEU 30 Cb 0.07 -1.59 0.01 0.00 0.50 0.00 0.00 46.19 45.18 3d23 s LEU 30 CO 0.14 0.07 0.13 0.86 -1.32 0.00 0.00 176.35 176.23 3d23 s TRP 31 N 0.88 3.18 -0.02 5.38 -0.00 -0.33 -0.32 118.94 127.71 3d23 s TRP 31 Ca -0.04 -0.83 0.01 0.00 -0.00 0.00 0.00 56.10 55.24 3d23 s TRP 31 Cb -0.15 -2.32 0.01 0.00 -0.00 0.00 0.00 33.47 31.01 3d23 s TRP 31 CO -0.01 -0.54 -0.02 -0.51 -0.00 0.00 0.00 176.95 175.87 3d23 s LEU 32 N 1.55 1.55 0.00 5.86 1.43 -0.10 -4.67 118.68 124.29 3d23 s LEU 32 Ca 0.03 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.08 3d23 s LEU 32 Cb -0.17 -0.23 0.00 0.00 0.03 0.00 0.00 46.19 45.82 3d23 s LEU 32 CO 0.05 -0.03 0.00 0.47 0.23 0.00 0.00 176.35 177.06 3d23 n ASP 33 N 3.63 0.00 -1.56 2.29 8.00 -1.26 -0.94 116.55 126.71 3d23 n ASP 33 Ca -0.21 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.26 3d23 n ASP 33 Cb 0.54 0.00 0.26 0.00 -0.02 0.00 0.00 41.12 41.90 3d23 n ASP 33 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3d23 n ASP 34 N 2.19 4.01 -4.47 -2.24 3.85 -1.26 -0.89 116.55 117.73 3d23 n ASP 34 Ca 0.00 -3.33 -0.33 0.00 -0.71 0.00 0.00 54.79 50.42 3d23 n ASP 34 Cb 0.00 -0.68 -0.13 0.00 -1.35 0.00 0.00 41.12 38.96 3d23 n ASP 34 CO 0.00 0.00 0.00 -0.54 -1.01 0.00 0.00 177.20 175.65 3d23 s LYS 35 N -3.04 2.96 -0.17 0.11 -0.14 -0.12 0.33 119.74 119.68 3d23 s LYS 35 Ca 0.50 -0.64 -0.02 0.00 -1.36 0.00 0.00 55.97 54.45 3d23 s LYS 35 Cb 0.41 -2.56 -0.01 0.00 -1.68 0.00 0.00 37.83 33.99 3d23 s LYS 35 CO 0.09 0.46 -0.08 0.14 -0.76 0.00 0.00 175.35 175.21 3d23 s VAL 36 N -0.29 3.30 -0.00 3.17 -7.23 0.21 -0.93 120.40 118.63 3d23 s VAL 36 Ca 0.03 -0.54 -0.08 0.00 -1.81 0.00 0.00 61.98 59.57 3d23 s VAL 36 Cb -0.13 -2.45 -0.05 0.00 0.56 0.00 0.00 36.38 34.31 3d23 s VAL 36 CO 0.03 0.48 0.29 -0.31 -0.31 0.00 0.00 175.10 175.27 3d23 s TYR 37 N 0.87 3.60 0.13 2.82 2.02 0.56 -1.65 117.35 125.70 3d23 s TYR 37 Ca -0.02 0.66 -0.24 0.00 -0.37 0.00 0.00 57.07 57.09 3d23 s TYR 37 Cb -0.15 -2.05 0.07 0.00 -0.40 0.00 0.00 41.96 39.44 3d23 s TYR 37 CO 0.01 0.62 0.71 0.00 -1.57 0.00 0.00 175.55 175.32 3d23 s PRO 39 N -3.58 4.10 0.49 0.00 0.02 -1.26 -0.44 135.00 134.33 3d23 s PRO 39 Ca 0.04 2.59 0.26 0.00 0.02 0.00 0.00 61.00 63.90 3d23 s PRO 39 Cb -0.02 -2.97 1.29 0.00 0.02 0.00 0.00 34.50 32.82 3d23 s PRO 39 CO -0.09 -0.56 2.00 0.07 -0.33 0.00 0.00 177.00 178.09 3d23 h ARG 40 N 3.28 0.00 0.00 5.54 0.11 -0.86 -2.61 114.38 119.85 3d23 h ARG 40 Ca -0.50 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.58 3d23 h ARG 40 Cb 1.24 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.32 3d23 h ARG 40 CO 0.67 0.16 0.00 -2.39 0.10 0.00 0.00 179.97 178.50 3d23 n HIS 41 N -3.62 0.00 0.32 4.08 1.44 -1.26 -2.24 115.22 113.95 3d23 n HIS 41 Ca -0.01 0.00 0.21 0.00 -2.01 0.00 0.00 57.72 55.91 3d23 n HIS 41 Cb 0.29 -0.18 1.08 0.00 0.12 0.00 0.00 29.99 31.30 3d23 n HIS 41 CO 0.00 0.00 0.00 -0.24 -2.81 0.00 0.00 176.34 173.29 3d23 h VAL 42 N 0.00 0.00 -0.02 0.61 3.04 -1.85 -1.93 116.25 116.10 3d23 h VAL 42 Ca 0.00 -0.10 0.00 0.00 -1.01 0.00 0.00 66.70 65.59 3d23 h VAL 42 Cb 0.00 1.06 0.00 0.00 -2.01 0.00 0.00 31.29 30.34 3d23 h VAL 42 CO 0.00 0.00 -0.02 2.30 -1.01 0.00 0.00 177.57 178.84 3d23 n ILE 43 N -3.02 0.00 -3.03 3.17 -5.35 -0.95 -4.31 119.36 105.87 3d23 n ILE 43 Ca -0.02 -0.30 -0.32 0.00 -0.27 0.00 0.00 62.75 61.84 3d23 n ILE 43 Cb 0.11 0.72 -0.06 0.00 -1.74 0.00 0.00 39.64 38.68 3d23 n ILE 43 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3d23 s SER 45 N -2.46 5.91 0.15 0.00 1.04 -1.26 -4.39 113.70 112.68 3d23 s SER 45 Ca 0.54 -0.21 -0.25 0.00 0.48 0.00 0.00 55.95 56.51 3d23 s SER 45 Cb -0.10 -1.22 -0.02 0.00 0.10 0.00 0.00 66.02 64.78 3d23 s SER 45 CO 0.20 -0.42 1.32 -0.24 0.98 0.00 0.00 173.24 175.09 3d23 n SER 46 N -1.61 -0.85 -0.10 7.02 2.88 -1.26 -1.19 113.62 118.51 3d23 n SER 46 Ca -0.00 1.52 0.07 0.00 -1.33 0.00 0.00 58.87 59.13 3d23 n SER 46 Cb 0.58 -0.22 0.14 0.00 -0.75 0.00 0.00 64.21 63.96 3d23 n SER 46 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 3d23 n SER 47 N -5.10 0.04 -0.02 -3.46 2.88 -1.26 0.49 113.62 107.18 3d23 n SER 47 Ca 0.03 0.50 0.03 0.00 -1.33 0.00 0.00 58.87 58.10 3d23 n SER 47 Cb 0.24 -0.22 -0.03 0.00 -0.75 0.00 0.00 64.21 63.46 3d23 n SER 47 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 3d23 n ASN 48 N -3.93 0.38 0.11 -3.46 0.23 -1.08 -4.81 115.26 102.70 3d23 n ASN 48 Ca 0.09 -0.69 0.05 0.00 -0.53 0.00 0.00 54.58 53.50 3d23 n ASN 48 Cb 0.31 0.91 0.25 0.00 -2.08 0.00 0.00 39.78 39.17 3d23 n ASN 48 CO 0.00 0.00 0.00 0.80 -0.93 0.00 0.00 177.26 177.13 3d23 n MET 49 N -1.00 0.06 0.00 -3.83 1.56 0.18 -2.20 117.12 111.89 3d23 n MET 49 Ca 0.01 0.49 0.00 0.00 -0.27 0.00 0.00 57.70 57.93 3d23 n MET 49 Cb 0.09 -1.94 0.00 0.00 2.15 0.00 0.00 33.22 33.52 3d23 n MET 49 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 3d23 n ASN 50 N -1.81 0.00 -4.28 6.12 5.03 -1.26 -4.42 115.26 114.65 3d23 n ASN 50 Ca -0.01 0.26 -0.41 0.00 0.87 0.00 0.00 54.58 55.29 3d23 n ASN 50 Cb 0.26 -0.18 -0.09 0.00 -1.02 0.00 0.00 39.78 38.74 3d23 n ASN 50 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.26 173.60 3d23 s GLU 51 N -0.57 2.64 0.18 3.52 1.03 -1.19 -1.33 118.70 122.98 3d23 s GLU 51 Ca 0.00 -1.48 -0.19 0.00 0.03 0.00 0.00 54.97 53.32 3d23 s GLU 51 Cb 0.00 -3.85 -0.08 0.00 -0.80 0.00 0.00 34.13 29.40 3d23 s GLU 51 CO 0.00 -0.99 0.68 -2.14 -1.33 0.00 0.00 175.26 171.48 3d23 s PRO 52 N 1.45 4.24 -0.54 -4.83 0.02 -0.93 -4.89 135.00 129.51 3d23 s PRO 52 Ca 0.03 0.83 -0.22 0.00 0.02 0.00 0.00 61.00 61.66 3d23 s PRO 52 Cb -0.24 -2.99 0.05 0.00 0.02 0.00 0.00 34.50 31.35 3d23 s PRO 52 CO 0.02 0.47 0.81 0.34 -0.33 0.00 0.00 177.00 178.31 3d23 s ASP 53 N -1.51 6.27 -0.05 2.53 -1.08 -1.26 -4.98 116.67 116.59 3d23 s ASP 53 Ca 0.39 -0.67 -0.03 0.00 -0.52 0.00 0.00 52.55 51.71 3d23 s ASP 53 Cb -0.18 -2.37 -0.02 0.00 -1.46 0.00 0.00 42.92 38.89 3d23 s ASP 53 CO 0.21 -1.11 0.19 1.88 0.52 0.00 0.00 175.17 176.86 3d23 h TYR 54 N 9.20 -0.11 -1.43 -5.34 0.05 -1.99 -0.52 116.97 116.85 3d23 h TYR 54 Ca -0.27 -0.00 0.43 0.00 0.05 0.00 0.00 58.73 58.94 3d23 h TYR 54 Cb 1.08 0.04 -0.09 0.00 1.01 0.00 0.00 36.73 38.77 3d23 h TYR 54 CO 0.85 -0.07 0.98 0.66 -1.05 0.00 0.00 178.16 179.53 3d23 h SER 55 N -0.64 0.15 0.64 3.88 4.64 -2.01 0.23 113.55 120.44 3d23 h SER 55 Ca -0.01 0.06 -0.27 0.00 -0.47 0.00 0.00 61.79 61.10 3d23 h SER 55 Cb 0.09 0.05 -0.04 0.00 -0.31 0.00 0.00 62.40 62.19 3d23 h SER 55 CO 0.02 -0.06 -1.45 0.00 -0.87 0.00 0.00 176.83 174.47 3d23 h ALA 56 N 1.40 0.55 -0.04 5.18 0.00 -1.99 -3.30 119.26 121.07 3d23 h ALA 56 Ca 0.76 -1.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.37 3d23 h ALA 56 Cb 2.68 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 20.71 3d23 h ALA 56 CO -0.20 1.40 -0.32 -0.07 0.00 0.00 0.00 179.25 180.06 3d23 h LEU 57 N 0.01 0.07 -1.22 0.00 -0.00 0.11 -3.05 115.31 111.23 3d23 h LEU 57 Ca -0.19 -0.02 0.08 0.00 -0.00 0.00 0.00 57.88 57.75 3d23 h LEU 57 Cb 1.93 -0.02 -0.06 0.00 -0.00 0.00 0.00 40.66 42.52 3d23 h LEU 57 CO 0.11 0.39 0.56 -0.07 -0.00 0.00 0.00 178.44 179.43 3d23 h LEU 58 N 0.06 0.81 -0.85 1.67 3.38 -1.40 -3.01 115.31 115.97 3d23 h LEU 58 Ca 0.01 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 3d23 h LEU 58 Cb 0.61 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 3d23 h LEU 58 CO 0.04 0.50 -0.36 0.00 0.09 0.00 0.00 178.44 178.71 3d23 n ARG 60 N -4.05 0.05 -1.86 0.00 1.74 -1.14 -4.85 116.66 106.54 3d23 n ARG 60 Ca -0.01 -0.01 -0.43 0.00 -0.77 0.00 0.00 57.85 56.63 3d23 n ARG 60 Cb 0.47 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.38 3d23 n ARG 60 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3d23 s VAL 61 N -2.96 3.33 -0.18 1.55 1.01 -0.99 -5.00 120.40 117.17 3d23 s VAL 61 Ca 0.15 0.36 -0.04 0.00 0.00 0.00 0.00 61.98 62.45 3d23 s VAL 61 Cb 0.19 -3.38 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 3d23 s VAL 61 CO 0.55 -0.19 -0.03 0.42 0.00 0.00 0.00 175.10 175.84 3d23 s THR 62 N 6.50 3.73 0.08 3.92 -4.23 -1.26 -5.03 115.64 119.36 3d23 s THR 62 Ca 0.85 -0.40 -0.16 0.00 -1.18 0.00 0.00 61.69 60.80 3d23 s THR 62 Cb -0.29 -2.66 -0.04 0.00 1.34 0.00 0.00 72.50 70.85 3d23 s THR 62 CO 0.34 0.46 0.84 0.18 -0.54 0.00 0.00 174.62 175.90 3d23 n LEU 63 N 4.02 -0.54 0.24 4.79 7.99 -1.26 -1.41 117.00 130.83 3d23 n LEU 63 Ca -0.17 0.96 0.15 0.00 -0.01 0.00 0.00 56.01 56.94 3d23 n LEU 63 Cb 0.52 -0.14 0.65 0.00 -0.11 0.00 0.00 43.42 44.34 3d23 n LEU 63 CO 0.31 -0.77 1.13 1.23 -1.51 0.00 0.00 177.39 177.79 3d23 h GLY 64 N 0.00 0.00 2.00 -0.72 0.00 -1.96 0.57 103.07 102.97 3d23 h GLY 64 Ca 0.08 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.35 3d23 h GLY 64 CO -0.48 0.00 -0.30 -0.55 0.00 0.00 0.00 176.54 175.20 3d23 h ASP 65 N 0.00 0.00 -3.96 0.19 3.32 -1.64 -3.44 116.42 110.90 3d23 h ASP 65 Ca 0.08 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.60 3d23 h ASP 65 Cb 1.12 0.00 0.10 0.00 0.22 0.00 0.00 39.33 40.77 3d23 h ASP 65 CO -0.00 0.30 0.66 -0.36 -1.72 0.00 0.00 179.24 178.12 3d23 s PHE 66 N -3.46 2.69 -0.20 4.55 0.08 0.20 -4.33 117.98 117.51 3d23 s PHE 66 Ca 0.02 1.34 -0.04 0.00 0.12 0.00 0.00 56.93 58.36 3d23 s PHE 66 Cb 0.09 -3.79 0.09 0.00 -0.57 0.00 0.00 43.02 38.84 3d23 s PHE 66 CO 0.67 -2.45 0.21 0.99 -0.10 0.00 0.00 175.22 174.54 3d23 s THR 67 N -1.22 -0.30 -0.23 0.64 2.01 -1.01 -4.94 115.64 110.58 3d23 s THR 67 Ca 0.57 -0.11 0.01 0.00 0.31 0.00 0.00 61.69 62.47 3d23 s THR 67 Cb -0.41 -0.66 0.06 0.00 0.01 0.00 0.00 72.50 71.50 3d23 s THR 67 CO 0.53 -0.20 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.58 3d23 s ILE 68 N 2.31 1.49 -0.19 1.82 1.01 -1.26 -1.74 121.20 124.64 3d23 s ILE 68 Ca 0.06 -1.18 -0.09 0.00 0.00 0.00 0.00 60.65 59.44 3d23 s ILE 68 Cb -0.16 -1.76 -0.05 0.00 0.01 0.00 0.00 42.46 40.51 3d23 s ILE 68 CO -0.12 -0.10 0.11 -0.04 0.00 0.00 0.00 174.94 174.79 3d23 s MET 69 N 1.41 4.09 -0.39 2.79 -1.94 -0.99 -0.77 119.30 123.50 3d23 s MET 69 Ca -0.06 -0.26 -0.01 0.00 -1.71 0.00 0.00 55.69 53.66 3d23 s MET 69 Cb -0.19 -3.34 0.11 0.00 2.01 0.00 0.00 34.83 33.42 3d23 s MET 69 CO -0.06 0.31 0.16 0.45 -0.01 0.00 0.00 175.02 175.86 3d23 s SER 70 N 0.31 5.10 1.58 3.03 0.15 -0.76 -1.37 113.70 121.75 3d23 s SER 70 Ca 0.06 -2.09 0.00 0.00 0.70 0.00 0.00 55.95 54.63 3d23 s SER 70 Cb -0.11 -1.77 0.00 0.00 -1.71 0.00 0.00 66.02 62.43 3d23 s SER 70 CO -0.01 -0.49 0.00 0.61 1.20 0.00 0.00 173.24 174.55 3d23 n GLY 71 N 4.46 3.29 0.26 9.45 0.00 -1.26 -1.47 105.19 119.92 3d23 n GLY 71 Ca -0.00 -0.22 0.14 0.00 0.00 0.00 0.00 46.02 45.94 3d23 n GLY 71 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3d23 n ARG 72 N 13.94 1.36 -1.69 1.61 0.00 -1.26 -4.89 116.66 125.72 3d23 n ARG 72 Ca 0.00 -0.52 -0.30 0.00 -0.00 0.00 0.00 57.85 57.03 3d23 n ARG 72 Cb 0.00 -1.47 0.08 0.00 -0.00 0.00 0.00 32.46 31.07 3d23 n ARG 72 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.63 179.04 3d23 s MET 73 N -1.98 2.32 -0.28 2.89 1.75 -0.55 -5.06 119.30 118.39 3d23 s MET 73 Ca 0.41 0.53 -0.00 0.00 -1.25 0.00 0.00 55.69 55.37 3d23 s MET 73 Cb 0.21 -1.95 0.14 0.00 2.84 0.00 0.00 34.83 36.06 3d23 s MET 73 CO 0.34 -1.43 0.32 0.45 -0.65 0.00 0.00 175.02 174.05 3d23 s SER 74 N -4.12 1.23 0.55 1.11 0.15 -1.26 -1.83 113.70 109.53 3d23 s SER 74 Ca 0.60 -0.53 -0.13 0.00 0.70 0.00 0.00 55.95 56.58 3d23 s SER 74 Cb -0.13 0.69 -0.06 0.00 -1.71 0.00 0.00 66.02 64.81 3d23 s SER 74 CO 0.53 -0.37 0.99 -0.76 1.20 0.00 0.00 173.24 174.83 3d23 s LEU 75 N 2.42 3.46 -0.25 3.45 1.43 0.05 -4.98 118.68 124.26 3d23 s LEU 75 Ca 0.10 1.46 -0.08 0.00 -1.03 0.00 0.00 54.13 54.58 3d23 s LEU 75 Cb -0.14 -4.45 -0.03 0.00 0.03 0.00 0.00 46.19 41.60 3d23 s LEU 75 CO -0.29 -0.70 0.09 -0.89 0.23 0.00 0.00 176.35 174.79 3d23 s THR 76 N -2.86 4.47 -0.30 5.49 2.01 -1.26 -4.46 115.64 118.73 3d23 s THR 76 Ca 0.56 -0.12 -0.27 0.00 0.31 0.00 0.00 61.69 62.18 3d23 s THR 76 Cb -0.10 -3.10 0.01 0.00 0.01 0.00 0.00 72.50 69.32 3d23 s THR 76 CO 0.42 0.33 0.96 0.54 -0.69 0.00 0.00 174.62 176.17 3d23 s VAL 77 N 1.59 4.64 -0.00 3.82 0.11 -1.26 -1.35 120.40 127.94 3d23 s VAL 77 Ca 0.06 1.56 -0.01 0.00 -2.93 0.00 0.00 61.98 60.66 3d23 s VAL 77 Cb -0.15 -4.29 -0.01 0.00 -1.53 0.00 0.00 36.38 30.40 3d23 s VAL 77 CO 0.05 -0.35 0.31 0.58 -3.33 0.00 0.00 175.10 172.36 3d23 h VAL 78 N 5.64 0.00 -3.53 2.04 2.07 -0.96 -3.48 116.25 118.03 3d23 h VAL 78 Ca -0.22 -0.06 -0.19 0.00 0.82 0.00 0.00 66.70 67.05 3d23 h VAL 78 Cb 1.07 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.80 3d23 h VAL 78 CO 0.97 0.00 -0.16 -1.54 0.02 0.00 0.00 177.57 176.85 3d23 n SER 79 N -2.25 0.82 -3.64 0.57 3.41 -1.21 -4.99 113.62 106.32 3d23 n SER 79 Ca -0.00 -1.77 -0.14 0.00 -0.26 0.00 0.00 58.87 56.69 3d23 n SER 79 Cb 0.01 0.40 -0.08 0.00 -0.26 0.00 0.00 64.21 64.29 3d23 n SER 79 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 3d23 s TYR 80 N -2.15 -0.67 0.07 7.33 1.13 -1.26 -0.45 117.35 121.35 3d23 s TYR 80 Ca 0.08 1.55 0.02 0.00 -1.41 0.00 0.00 57.07 57.32 3d23 s TYR 80 Cb 0.00 0.26 -0.03 0.00 -1.10 0.00 0.00 41.96 41.09 3d23 s TYR 80 CO 0.06 -0.38 -0.08 1.14 -2.51 0.00 0.00 175.55 173.78 3d23 s GLN 81 N 0.04 0.68 -0.27 -3.49 -2.07 0.43 -4.98 119.66 110.00 3d23 s GLN 81 Ca -0.02 -1.01 -0.16 0.00 -1.82 0.00 0.00 55.36 52.35 3d23 s GLN 81 Cb -0.04 -0.32 -0.03 0.00 -1.09 0.00 0.00 33.01 31.53 3d23 s GLN 81 CO 0.02 0.04 0.41 1.41 -1.32 0.00 0.00 175.29 175.85 3d23 s MET 82 N -2.48 4.01 -0.19 9.60 -2.45 -1.26 -0.11 119.30 126.41 3d23 s MET 82 Ca -0.01 0.10 0.01 0.00 -1.25 0.00 0.00 55.69 54.54 3d23 s MET 82 Cb -0.04 -3.66 0.04 0.00 1.25 0.00 0.00 34.83 32.42 3d23 s MET 82 CO -0.01 -0.31 -0.10 -1.14 1.05 0.00 0.00 175.02 174.51 3d23 s GLN 83 N 2.14 1.96 0.92 4.11 0.74 -0.23 -4.99 119.66 124.31 3d23 s GLN 83 Ca 0.17 -0.79 0.00 0.00 0.05 0.00 0.00 55.36 54.79 3d23 s GLN 83 Cb -0.16 -2.35 0.00 0.00 1.10 0.00 0.00 33.01 31.60 3d23 s GLN 83 CO 0.10 -0.42 0.00 0.41 -0.55 0.00 0.00 175.29 174.83 3d23 n GLY 84 N 4.71 1.95 1.25 2.59 0.00 -1.26 -1.18 105.19 113.24 3d23 n GLY 84 Ca -0.14 0.51 0.09 0.00 0.00 0.00 0.00 46.02 46.48 3d23 n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d23 s GLN 86 N -1.47 1.97 -0.00 0.00 -2.07 -0.33 -0.24 119.66 117.51 3d23 s GLN 86 Ca 0.44 -1.43 -0.15 0.00 -1.82 0.00 0.00 55.36 52.40 3d23 s GLN 86 Cb 0.26 -2.04 -0.06 0.00 -1.09 0.00 0.00 33.01 30.08 3d23 s GLN 86 CO 0.24 0.40 0.41 -0.51 -1.32 0.00 0.00 175.29 174.50 3d23 s LEU 87 N -3.12 4.47 -0.33 2.60 1.43 0.41 -1.06 118.68 123.08 3d23 s LEU 87 Ca 0.27 0.95 0.01 0.00 -1.03 0.00 0.00 54.13 54.33 3d23 s LEU 87 Cb -0.07 -2.58 0.09 0.00 0.03 0.00 0.00 46.19 43.65 3d23 s LEU 87 CO 0.15 0.32 0.05 -0.69 0.23 0.00 0.00 176.35 176.41 3d23 s VAL 88 N -1.02 2.64 -0.19 -1.59 1.01 0.84 -1.65 120.40 120.45 3d23 s VAL 88 Ca 0.24 -1.96 -0.09 0.00 0.00 0.00 0.00 61.98 60.17 3d23 s VAL 88 Cb -0.17 -2.75 -0.05 0.00 0.00 0.00 0.00 36.38 33.41 3d23 s VAL 88 CO 0.13 -0.42 0.11 -0.76 0.00 0.00 0.00 175.10 174.16 3d23 s LEU 89 N 1.06 4.11 -0.02 3.92 1.02 -0.66 -0.43 118.68 127.69 3d23 s LEU 89 Ca 0.03 0.21 -0.26 0.00 0.02 0.00 0.00 54.13 54.14 3d23 s LEU 89 Cb -0.20 -2.05 -0.04 0.00 0.02 0.00 0.00 46.19 43.92 3d23 s LEU 89 CO -0.05 0.20 0.79 -0.89 0.02 0.00 0.00 176.35 176.42 3d23 s THR 90 N 0.21 4.91 0.33 5.49 2.01 0.40 -0.62 115.64 128.38 3d23 s THR 90 Ca 0.07 1.66 0.08 0.00 0.31 0.00 0.00 61.69 63.81 3d23 s THR 90 Cb -0.11 -4.14 -0.04 0.00 0.01 0.00 0.00 72.50 68.22 3d23 s THR 90 CO -0.01 0.26 0.15 0.68 -0.69 0.00 0.00 174.62 175.01 3d23 s VAL 91 N 0.61 3.17 0.08 3.82 -7.23 0.15 -0.32 120.40 120.69 3d23 s VAL 91 Ca 0.42 -1.67 -0.16 0.00 -1.81 0.00 0.00 61.98 58.76 3d23 s VAL 91 Cb -0.19 -3.00 -0.13 0.00 0.56 0.00 0.00 36.38 33.62 3d23 s VAL 91 CO 0.22 -0.20 1.34 0.77 -0.31 0.00 0.00 175.10 176.92 3d23 h SER 92 N 1.54 0.71 -3.48 4.85 4.64 -1.52 -3.43 113.55 116.87 3d23 h SER 92 Ca -0.44 -0.54 -0.58 0.00 -0.47 0.00 0.00 61.79 59.76 3d23 h SER 92 Cb 1.25 -0.20 -0.09 0.00 -0.31 0.00 0.00 62.40 63.05 3d23 h SER 92 CO 0.62 1.12 0.80 -0.22 -0.87 0.00 0.00 176.83 178.28 3d23 s LEU 93 N -8.80 3.75 0.19 5.97 2.96 -1.26 -5.02 118.68 116.47 3d23 s LEU 93 Ca -0.12 0.14 -0.33 0.00 -0.22 0.00 0.00 54.13 53.60 3d23 s LEU 93 Cb 0.07 -3.24 -0.13 0.00 0.50 0.00 0.00 46.19 43.39 3d23 s LEU 93 CO 0.83 -1.26 1.57 1.67 -1.32 0.00 0.00 176.35 177.84 3d23 n GLN 94 N 7.78 2.26 -2.51 1.98 -0.06 -1.26 -4.68 117.38 120.89 3d23 n GLN 94 Ca 0.08 0.81 -0.43 0.00 -2.00 0.00 0.00 57.00 55.46 3d23 n GLN 94 Cb 0.49 -2.57 -0.02 0.00 -4.06 0.00 0.00 30.24 24.07 3d23 n GLN 94 CO 0.00 0.00 0.00 1.21 -0.20 0.00 0.00 177.06 178.07 3d23 s ASN 95 N 0.80 6.72 0.58 1.69 3.04 -0.07 -4.91 114.94 122.79 3d23 s ASN 95 Ca 0.75 1.01 0.27 0.00 0.04 0.00 0.00 52.86 54.93 3d23 s ASN 95 Cb -0.64 -2.54 1.71 0.00 -1.54 0.00 0.00 41.25 38.24 3d23 s ASN 95 CO 0.40 -1.08 2.22 1.55 -3.04 0.00 0.00 177.10 177.15 3d23 h PRO 96 N 9.04 0.00 -0.45 0.43 0.13 -1.91 -2.32 132.00 136.92 3d23 h PRO 96 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3d23 h PRO 96 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 3d23 h PRO 96 CO 1.05 0.00 0.00 0.66 -0.23 0.00 0.00 178.00 179.48 3d23 n TYR 97 N -3.97 1.61 -1.44 1.56 4.01 -1.26 -4.98 117.16 112.69 3d23 n TYR 97 Ca -0.02 -0.79 -0.50 0.00 -0.16 0.00 0.00 57.90 56.43 3d23 n TYR 97 Cb 0.12 -0.43 -0.07 0.00 -0.31 0.00 0.00 39.34 38.65 3d23 n TYR 97 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 3d23 n THR 98 N 0.17 0.16 -0.69 -0.72 -1.04 -0.87 -4.81 114.28 106.47 3d23 n THR 98 Ca 0.25 -0.26 -0.29 0.00 -2.04 0.00 0.00 64.05 61.71 3d23 n THR 98 Cb 1.07 -1.61 0.23 0.00 -1.82 0.00 0.00 70.33 68.20 3d23 n THR 98 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 3d23 s PRO 99 N 6.43 -0.52 0.14 -2.82 0.04 -1.26 -4.96 135.00 132.04 3d23 s PRO 99 Ca 1.11 0.82 -0.31 0.00 0.04 0.00 0.00 61.00 62.65 3d23 s PRO 99 Cb -0.87 -1.60 -0.08 0.00 0.04 0.00 0.00 34.50 31.99 3d23 s PRO 99 CO 0.48 -3.45 1.33 0.21 0.04 0.00 0.00 177.00 175.61 3d23 s LYS 100 N -4.58 4.37 0.07 4.56 2.20 -1.26 -5.00 119.74 120.09 3d23 s LYS 100 Ca 0.68 2.01 -0.13 0.00 -0.36 0.00 0.00 55.97 58.17 3d23 s LYS 100 Cb -0.23 -3.24 0.02 0.00 -1.51 0.00 0.00 37.83 32.86 3d23 s LYS 100 CO 0.63 -0.33 0.30 1.52 -0.36 0.00 0.00 175.35 177.11 3d23 s TYR 101 N 0.71 -0.08 0.40 4.03 1.13 -1.26 -2.02 117.35 120.27 3d23 s TYR 101 Ca 0.61 -0.14 0.03 0.00 -1.41 0.00 0.00 57.07 56.16 3d23 s TYR 101 Cb -0.35 0.10 -0.01 0.00 -1.10 0.00 0.00 41.96 40.59 3d23 s TYR 101 CO 0.33 -0.55 0.11 0.25 -2.51 0.00 0.00 175.55 173.18 3d23 n THR 102 N 0.32 0.00 -4.86 -3.49 -2.24 0.22 -4.93 114.28 99.31 3d23 n THR 102 Ca -0.17 -2.25 -0.33 0.00 -2.27 0.00 0.00 64.05 59.03 3d23 n THR 102 Cb 0.61 0.73 -0.14 0.00 -2.10 0.00 0.00 70.33 69.43 3d23 n THR 102 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3d23 s PHE 103 N -2.94 2.75 0.00 4.78 0.08 -1.26 -1.19 117.98 120.20 3d23 s PHE 103 Ca 0.16 -0.59 0.00 0.00 0.12 0.00 0.00 56.93 56.61 3d23 s PHE 103 Cb 0.01 -1.78 0.00 0.00 -0.57 0.00 0.00 43.02 40.67 3d23 s PHE 103 CO 0.11 -0.16 0.00 0.41 -0.10 0.00 0.00 175.22 175.48 3d23 n GLY 104 N 3.28 3.72 2.90 4.36 0.00 0.07 -4.94 105.19 114.58 3d23 n GLY 104 Ca -0.18 -1.41 -0.15 0.00 0.00 0.00 0.00 46.02 44.28 3d23 n GLY 104 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3d23 s ASN 105 N -0.43 0.22 0.22 1.61 3.84 -1.26 -4.18 114.94 114.96 3d23 s ASN 105 Ca 0.00 0.34 -0.05 0.00 0.21 0.00 0.00 52.86 53.36 3d23 s ASN 105 Cb 0.00 0.26 -0.06 0.00 -0.55 0.00 0.00 41.25 40.91 3d23 s ASN 105 CO 0.00 -0.19 0.47 0.68 -2.79 0.00 0.00 177.10 175.27 3d23 s VAL 106 N 1.67 5.07 0.30 -5.21 -7.23 -1.26 -5.11 120.40 108.63 3d23 s VAL 106 Ca -0.04 0.08 0.08 0.00 -1.81 0.00 0.00 61.98 60.29 3d23 s VAL 106 Cb -0.12 -3.67 -0.04 0.00 0.56 0.00 0.00 36.38 33.12 3d23 s VAL 106 CO -0.06 -0.13 0.17 -0.54 -0.31 0.00 0.00 175.10 174.23 3d23 s LYS 107 N -3.06 2.61 0.15 4.82 -0.14 -1.26 -5.05 119.74 117.80 3d23 s LYS 107 Ca 0.43 -1.32 -0.34 0.00 -1.36 0.00 0.00 55.97 53.38 3d23 s LYS 107 Cb -0.11 -2.36 -0.16 0.00 -1.68 0.00 0.00 37.83 33.52 3d23 s LYS 107 CO 0.26 0.23 1.31 -2.30 -0.76 0.00 0.00 175.35 174.10 3d23 n PRO 108 N -1.17 1.38 0.00 -1.68 -0.02 -1.26 -1.96 135.00 130.29 3d23 n PRO 108 Ca -0.05 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 3d23 n PRO 108 Cb 0.59 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.97 3d23 n PRO 108 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3d23 n GLY 109 N 2.40 3.13 3.77 -1.23 0.00 0.40 -4.99 105.19 108.67 3d23 n GLY 109 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 3d23 n GLY 109 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d23 s GLU 110 N -0.29 4.27 0.30 1.61 2.02 -0.83 -4.60 118.70 121.19 3d23 s GLU 110 Ca 0.00 2.34 0.08 0.00 0.02 0.00 0.00 54.97 57.41 3d23 s GLU 110 Cb 0.00 -3.04 -0.04 0.00 0.10 0.00 0.00 34.13 31.15 3d23 s GLU 110 CO 0.00 -0.31 0.12 0.95 0.02 0.00 0.00 175.26 176.03 3d23 s THR 111 N -1.05 3.39 0.24 3.63 -4.23 -1.26 -1.32 115.64 115.04 3d23 s THR 111 Ca 0.51 -1.70 -0.22 0.00 -1.18 0.00 0.00 61.69 59.11 3d23 s THR 111 Cb -0.42 -3.01 0.06 0.00 1.34 0.00 0.00 72.50 70.46 3d23 s THR 111 CO 0.56 -0.26 0.89 0.72 -0.54 0.00 0.00 174.62 175.98 3d23 s PHE 112 N -2.34 -0.05 -0.10 3.99 -0.12 -0.35 -4.92 117.98 114.09 3d23 s PHE 112 Ca 0.35 -0.39 -0.05 0.00 -0.05 0.00 0.00 56.93 56.80 3d23 s PHE 112 Cb -0.05 0.71 -0.04 0.00 -0.63 0.00 0.00 43.02 43.02 3d23 s PHE 112 CO 0.22 -1.09 0.09 0.99 -0.05 0.00 0.00 175.22 175.38 3d23 s THR 113 N -2.98 5.05 -0.12 -4.49 2.01 -0.48 -0.97 115.64 113.66 3d23 s THR 113 Ca 0.15 -0.00 -0.02 0.00 0.31 0.00 0.00 61.69 62.13 3d23 s THR 113 Cb -0.03 -3.19 -0.03 0.00 0.01 0.00 0.00 72.50 69.26 3d23 s THR 113 CO 0.06 0.58 -0.04 -0.69 -0.69 0.00 0.00 174.62 173.84 3d23 s VAL 114 N -1.00 3.87 -0.38 3.82 1.01 0.50 -0.10 120.40 128.11 3d23 s VAL 114 Ca 0.15 -0.39 -0.08 0.00 0.00 0.00 0.00 61.98 61.67 3d23 s VAL 114 Cb -0.12 -2.65 0.06 0.00 0.00 0.00 0.00 36.38 33.68 3d23 s VAL 114 CO 0.05 0.54 0.19 -0.22 0.00 0.00 0.00 175.10 175.66 3d23 s LEU 115 N -0.19 4.82 0.05 3.92 2.96 -0.27 -0.97 118.68 129.01 3d23 s LEU 115 Ca 0.03 -1.39 -0.30 0.00 -0.22 0.00 0.00 54.13 52.25 3d23 s LEU 115 Cb -0.13 -1.93 -0.05 0.00 0.50 0.00 0.00 46.19 44.59 3d23 s LEU 115 CO 0.02 -0.45 1.05 0.00 -1.32 0.00 0.00 176.35 175.66 3d23 s ALA 116 N 1.40 3.26 0.16 5.97 0.00 0.40 -3.05 121.76 129.89 3d23 s ALA 116 Ca 0.02 0.66 0.02 0.00 0.00 0.00 0.00 51.96 52.65 3d23 s ALA 116 Cb -0.21 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.50 3d23 s ALA 116 CO 0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 175.76 175.52 3d23 s ALA 117 N 0.72 1.26 -0.12 0.00 0.00 -1.26 -0.00 121.76 122.36 3d23 s ALA 117 Ca 0.53 -1.53 -0.05 0.00 0.00 0.00 0.00 51.96 50.91 3d23 s ALA 117 Cb -0.25 0.46 0.06 0.00 0.00 0.00 0.00 23.12 23.40 3d23 s ALA 117 CO 0.29 -0.30 0.24 0.71 0.00 0.00 0.00 175.76 176.71 3d23 s TYR 118 N -3.65 -0.37 -1.25 0.00 2.02 -0.95 -4.36 117.35 108.78 3d23 s TYR 118 Ca 0.21 0.88 -0.00 0.00 -0.37 0.00 0.00 57.07 57.79 3d23 s TYR 118 Cb 0.06 -0.05 0.00 0.00 -0.40 0.00 0.00 41.96 41.57 3d23 s TYR 118 CO 0.02 -0.32 0.02 -1.71 -1.57 0.00 0.00 175.55 171.99 3d23 n ASN 119 N 5.11 -4.49 0.00 2.29 2.85 -1.26 -1.03 115.26 118.74 3d23 n ASN 119 Ca -0.10 -0.02 0.00 0.00 -0.11 0.00 0.00 54.58 54.35 3d23 n ASN 119 Cb 0.50 -3.62 0.00 0.00 1.24 0.00 0.00 39.78 37.90 3d23 n ASN 119 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3d23 n GLY 120 N -1.03 0.87 3.10 8.20 0.00 -1.26 -4.62 105.19 110.46 3d23 n GLY 120 Ca -0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.52 3d23 n GLY 120 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3d23 s ARG 121 N -0.25 2.20 0.45 1.61 3.52 -0.19 -4.34 118.95 121.94 3d23 s ARG 121 Ca 0.00 -1.41 -0.25 0.00 -0.13 0.00 0.00 55.73 53.94 3d23 s ARG 121 Cb 0.00 -3.08 -0.08 0.00 -1.56 0.00 0.00 34.95 30.23 3d23 s ARG 121 CO 0.00 -0.67 1.37 -2.30 -0.81 0.00 0.00 175.30 172.89 3d23 n PRO 122 N 4.49 2.08 0.00 5.12 -0.02 -1.26 -2.25 135.00 143.16 3d23 n PRO 122 Ca -0.11 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.11 3d23 n PRO 122 Cb 0.42 -2.54 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 3d23 n PRO 122 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3d23 n GLN 123 N -0.20 0.00 -3.24 -0.52 -0.06 1.00 -4.91 117.38 109.44 3d23 n GLN 123 Ca 0.06 0.00 -0.08 0.00 -2.00 0.00 0.00 57.00 54.98 3d23 n GLN 123 Cb 0.41 -0.45 0.01 0.00 -4.06 0.00 0.00 30.24 26.15 3d23 n GLN 123 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3d23 n GLY 124 N 2.38 1.44 3.22 1.69 0.00 -1.13 -5.03 105.19 107.75 3d23 n GLY 124 Ca 0.00 -1.28 -0.13 0.00 0.00 0.00 0.00 46.02 44.61 3d23 n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d23 s ALA 125 N -1.99 -0.69 0.15 4.61 0.00 -1.26 -0.46 121.76 122.13 3d23 s ALA 125 Ca 0.15 0.19 -0.13 0.00 0.00 0.00 0.00 51.96 52.17 3d23 s ALA 125 Cb -0.03 0.12 0.01 0.00 0.00 0.00 0.00 23.12 23.22 3d23 s ALA 125 CO 0.11 -0.27 0.37 -0.59 0.00 0.00 0.00 175.76 175.37 3d23 s PHE 126 N -1.53 0.05 -0.20 0.00 -0.71 -0.14 -4.97 117.98 110.48 3d23 s PHE 126 Ca -0.12 -0.40 -0.10 0.00 -1.04 0.00 0.00 56.93 55.27 3d23 s PHE 126 Cb -0.05 0.16 -0.05 0.00 -1.21 0.00 0.00 43.02 41.87 3d23 s PHE 126 CO 0.03 -0.74 0.13 -1.58 -1.34 0.00 0.00 175.22 171.71 3d23 s HIS 127 N -3.88 3.40 0.27 3.49 5.65 -1.26 -0.37 115.29 122.59 3d23 s HIS 127 Ca 0.09 0.31 0.03 0.00 0.25 0.00 0.00 55.06 55.75 3d23 s HIS 127 Cb 0.02 -2.15 -0.06 0.00 -1.18 0.00 0.00 32.58 29.21 3d23 s HIS 127 CO -0.06 0.29 0.04 0.14 -0.65 0.00 0.00 174.74 174.50 3d23 s VAL 128 N 0.33 1.02 -0.07 0.89 -7.23 -0.15 -4.98 120.40 110.22 3d23 s VAL 128 Ca 0.08 -2.02 0.05 0.00 -1.81 0.00 0.00 61.98 58.28 3d23 s VAL 128 Cb -0.11 -2.57 -0.01 0.00 0.56 0.00 0.00 36.38 34.25 3d23 s VAL 128 CO -0.02 -0.14 -0.23 -0.89 -0.31 0.00 0.00 175.10 173.51 3d23 s THR 129 N -3.43 1.95 0.03 5.32 2.01 -1.26 -1.21 115.64 119.05 3d23 s THR 129 Ca 0.33 -0.99 -0.30 0.00 0.31 0.00 0.00 61.69 61.04 3d23 s THR 129 Cb 0.07 -1.67 -0.05 0.00 0.01 0.00 0.00 72.50 70.86 3d23 s THR 129 CO 0.12 0.54 1.23 -0.32 -0.69 0.00 0.00 174.62 175.51 3d23 s MET 130 N 0.05 4.39 0.48 4.92 1.75 -0.43 -4.54 119.30 125.92 3d23 s MET 130 Ca -0.09 1.79 -0.01 0.00 -1.25 0.00 0.00 55.69 56.13 3d23 s MET 130 Cb -0.15 -3.42 0.00 0.00 2.84 0.00 0.00 34.83 34.11 3d23 s MET 130 CO 0.05 -0.35 0.72 1.03 -0.65 0.00 0.00 175.02 175.83 3d23 s ARG 131 N 1.49 3.00 0.39 4.11 1.81 -0.16 -0.45 118.95 129.13 3d23 s ARG 131 Ca 0.59 -0.42 0.18 0.00 -1.72 0.00 0.00 55.73 54.36 3d23 s ARG 131 Cb -0.29 -2.50 1.10 0.00 -0.45 0.00 0.00 34.95 32.81 3d23 s ARG 131 CO 0.27 -0.38 1.75 0.77 -0.68 0.00 0.00 175.30 177.03 3d23 h SER 132 N 0.27 0.46 0.00 0.23 0.02 -1.87 0.62 113.55 113.28 3d23 h SER 132 Ca -0.46 0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 3d23 h SER 132 Cb 1.26 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.82 3d23 h SER 132 CO 0.57 0.06 0.00 -1.54 -1.14 0.00 0.00 176.83 174.78 3d23 n SER 133 N -4.68 0.00 -3.42 3.07 3.41 -1.26 -4.85 113.62 105.89 3d23 n SER 133 Ca 0.27 -0.90 -0.24 0.00 -0.26 0.00 0.00 58.87 57.74 3d23 n SER 133 Cb 0.91 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.92 3d23 n SER 133 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3d23 n TYR 134 N -0.93 -2.56 -4.35 7.33 4.02 0.21 -4.75 117.16 116.14 3d23 n TYR 134 Ca 0.16 0.85 -0.18 0.00 -0.01 0.00 0.00 57.90 58.72 3d23 n TYR 134 Cb 0.07 -4.81 -0.10 0.00 -0.02 0.00 0.00 39.34 34.49 3d23 n TYR 134 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 3d23 s THR 135 N -3.27 1.73 0.26 -0.72 -4.23 -1.26 -4.58 115.64 103.57 3d23 s THR 135 Ca 0.50 -2.21 0.11 0.00 -1.18 0.00 0.00 61.69 58.92 3d23 s THR 135 Cb -0.22 -2.05 -0.05 0.00 1.34 0.00 0.00 72.50 71.52 3d23 s THR 135 CO 0.62 -0.59 -0.20 0.27 -0.54 0.00 0.00 174.62 174.18 3d23 s ILE 136 N -2.98 2.37 -0.97 2.99 -4.36 0.35 -0.99 121.20 117.62 3d23 s ILE 136 Ca 0.23 -2.33 -0.14 0.00 -0.26 0.00 0.00 60.65 58.14 3d23 s ILE 136 Cb -0.01 -2.24 0.21 0.00 1.25 0.00 0.00 42.46 41.67 3d23 s ILE 136 CO 0.07 -0.39 1.01 -0.54 0.24 0.00 0.00 174.94 175.33 3d23 s LYS 137 N -3.41 3.81 0.00 0.37 1.02 -1.26 -0.17 119.74 120.10 3d23 s LYS 137 Ca 0.28 -2.52 0.00 0.00 0.02 0.00 0.00 55.97 53.75 3d23 s LYS 137 Cb -0.05 -4.64 0.00 0.00 -0.52 0.00 0.00 37.83 32.62 3d23 s LYS 137 CO 0.13 -1.44 0.00 0.41 -0.92 0.00 0.00 175.35 173.54 3d23 n GLY 138 N 3.99 2.48 2.78 -3.33 0.00 -1.26 -4.95 105.19 104.89 3d23 n GLY 138 Ca 0.21 -2.15 -0.29 0.00 0.00 0.00 0.00 46.02 43.79 3d23 n GLY 138 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3d23 s SER 139 N -0.99 3.72 -0.05 1.61 0.15 -1.26 -4.98 113.70 111.91 3d23 s SER 139 Ca 0.00 -1.36 0.00 0.00 0.70 0.00 0.00 55.95 55.30 3d23 s SER 139 Cb 0.00 -0.87 0.02 0.00 -1.71 0.00 0.00 66.02 63.47 3d23 s SER 139 CO 0.00 -0.36 -0.02 -0.36 1.20 0.00 0.00 173.24 173.70 3d23 s PHE 140 N 1.62 0.62 0.45 3.44 0.08 -1.26 -5.03 117.98 117.91 3d23 s PHE 140 Ca 0.04 -0.14 0.08 0.00 0.12 0.00 0.00 56.93 57.03 3d23 s PHE 140 Cb -0.18 -0.62 0.02 0.00 -0.57 0.00 0.00 43.02 41.67 3d23 s PHE 140 CO -0.17 -0.20 0.54 -0.51 -0.10 0.00 0.00 175.22 174.78 3d23 s LEU 141 N 1.13 3.44 0.32 -0.37 1.43 -1.26 -5.02 118.68 118.35 3d23 s LEU 141 Ca -0.08 -0.63 -0.27 0.00 -1.03 0.00 0.00 54.13 52.12 3d23 s LEU 141 Cb -0.14 -2.23 -0.14 0.00 0.03 0.00 0.00 46.19 43.71 3d23 s LEU 141 CO -0.01 -0.84 0.92 0.00 0.23 0.00 0.00 176.35 176.64 3d23 n GLY 143 N 1.33 1.15 0.22 0.00 0.00 -1.26 -4.94 105.19 101.70 3d23 n GLY 143 Ca 0.10 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.27 3d23 n GLY 143 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3d23 n SER 144 N 0.00 0.78 -4.77 1.61 3.41 -0.65 -4.39 113.62 109.61 3d23 n SER 144 Ca 0.00 -0.96 -0.39 0.00 -0.26 0.00 0.00 58.87 57.26 3d23 n SER 144 Cb 0.00 -0.01 -0.00 0.00 -0.26 0.00 0.00 64.21 63.94 3d23 n SER 144 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d23 n GLY 146 N 0.63 1.30 3.76 0.00 0.00 -0.29 -1.38 105.19 109.21 3d23 n GLY 146 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 3d23 n GLY 146 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3d23 s SER 147 N -3.11 5.64 0.02 1.61 0.01 -0.60 -4.38 113.70 112.89 3d23 s SER 147 Ca 0.00 2.89 0.06 0.00 1.31 0.00 0.00 55.95 60.21 3d23 s SER 147 Cb 0.00 -2.65 -0.03 0.00 0.21 0.00 0.00 66.02 63.55 3d23 s SER 147 CO 0.00 -1.34 -0.15 0.68 0.41 0.00 0.00 173.24 172.85 3d23 s VAL 148 N -1.23 3.01 0.06 3.43 -7.23 -1.17 -0.97 120.40 116.31 3d23 s VAL 148 Ca 0.65 -1.02 0.02 0.00 -1.81 0.00 0.00 61.98 59.82 3d23 s VAL 148 Cb -0.43 -2.26 -0.04 0.00 0.56 0.00 0.00 36.38 34.21 3d23 s VAL 148 CO 0.54 0.39 0.10 -0.83 -0.31 0.00 0.00 175.10 174.99 3d23 s GLY 149 N -1.31 2.04 0.12 2.32 0.00 -0.49 -1.11 107.32 108.89 3d23 s GLY 149 Ca 0.15 -0.97 -0.25 0.00 0.00 0.00 0.00 44.72 43.65 3d23 s GLY 149 CO 0.05 -0.93 0.78 -2.52 0.00 0.00 0.00 173.10 170.48 3d23 s TYR 150 N -1.37 -0.35 0.06 1.90 1.13 0.86 -1.82 117.35 117.76 3d23 s TYR 150 Ca 0.29 0.12 0.08 0.00 -1.41 0.00 0.00 57.07 56.14 3d23 s TYR 150 Cb -0.12 0.59 -0.03 0.00 -1.10 0.00 0.00 41.96 41.30 3d23 s TYR 150 CO 0.21 -0.80 -0.22 0.54 -2.51 0.00 0.00 175.55 172.78 3d23 s VAL 151 N -3.48 1.78 -0.36 -3.49 0.11 -0.45 -1.38 120.40 113.13 3d23 s VAL 151 Ca 0.06 -1.32 -0.18 0.00 -2.93 0.00 0.00 61.98 57.60 3d23 s VAL 151 Cb -0.02 -1.55 0.00 0.00 -1.53 0.00 0.00 36.38 33.28 3d23 s VAL 151 CO -0.06 0.18 0.53 -0.76 -3.33 0.00 0.00 175.10 171.65 3d23 s LEU 152 N -1.37 4.38 -0.44 2.54 1.43 -1.26 -1.04 118.68 122.92 3d23 s LEU 152 Ca 0.08 -0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.14 3d23 s LEU 152 Cb -0.09 -2.60 0.12 0.00 0.03 0.00 0.00 46.19 43.65 3d23 s LEU 152 CO 0.02 -0.51 0.17 -0.89 0.23 0.00 0.00 176.35 175.37 3d23 s THR 153 N 2.43 2.52 0.00 5.49 2.01 -0.01 -5.00 115.64 123.08 3d23 s THR 153 Ca 0.19 -2.85 0.00 0.00 0.31 0.00 0.00 61.69 59.34 3d23 s THR 153 Cb -0.15 -2.79 0.00 0.00 0.01 0.00 0.00 72.50 69.57 3d23 s THR 153 CO 0.14 -0.71 0.00 0.61 -0.69 0.00 0.00 174.62 173.97 3d23 n GLY 154 N 3.66 0.41 0.22 4.40 0.00 -1.26 -2.13 105.19 110.48 3d23 n GLY 154 Ca 0.04 -0.77 0.02 0.00 0.00 0.00 0.00 46.02 45.31 3d23 n GLY 154 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3d23 n ASP 155 N 5.75 0.62 -4.25 1.61 5.68 -1.26 -4.87 116.55 119.84 3d23 n ASP 155 Ca 0.00 -2.00 -0.23 0.00 -0.50 0.00 0.00 54.79 52.06 3d23 n ASP 155 Cb 0.00 -0.08 -0.13 0.00 -1.14 0.00 0.00 41.12 39.77 3d23 n ASP 155 CO 0.00 0.00 0.00 -0.55 -1.33 0.00 0.00 177.20 175.32 3d23 s SER 156 N -0.99 2.31 -0.31 -1.12 0.15 -0.90 -4.63 113.70 108.21 3d23 s SER 156 Ca 0.08 -0.63 -0.12 0.00 0.70 0.00 0.00 55.95 55.98 3d23 s SER 156 Cb 0.04 -0.13 -0.03 0.00 -1.71 0.00 0.00 66.02 64.19 3d23 s SER 156 CO 0.05 0.05 0.21 -0.69 1.20 0.00 0.00 173.24 174.06 3d23 s VAL 157 N -1.11 5.22 -0.58 4.45 1.01 -0.85 -0.83 120.40 127.70 3d23 s VAL 157 Ca 0.05 -0.06 -0.19 0.00 0.00 0.00 0.00 61.98 61.77 3d23 s VAL 157 Cb -0.10 -3.59 0.10 0.00 0.00 0.00 0.00 36.38 32.79 3d23 s VAL 157 CO 0.03 0.12 0.69 -0.75 0.00 0.00 0.00 175.10 175.19 3d23 s LYS 158 N 1.73 3.05 0.17 2.72 2.20 -0.21 -0.61 119.74 128.80 3d23 s LYS 158 Ca 0.06 -1.27 -0.30 0.00 -0.36 0.00 0.00 55.97 54.10 3d23 s LYS 158 Cb -0.17 -4.25 -0.08 0.00 -1.51 0.00 0.00 37.83 31.83 3d23 s LYS 158 CO 0.10 -1.50 1.24 -0.06 -0.36 0.00 0.00 175.35 174.76 3d23 s PHE 159 N 2.67 3.37 0.00 4.03 0.08 -0.33 -1.34 117.98 126.46 3d23 s PHE 159 Ca 0.12 1.34 0.00 0.00 0.12 0.00 0.00 56.93 58.51 3d23 s PHE 159 Cb -0.24 -3.49 0.00 0.00 -0.57 0.00 0.00 43.02 38.73 3d23 s PHE 159 CO 0.07 -1.44 0.00 0.28 -0.10 0.00 0.00 175.22 174.03 3d23 n VAL 160 N 2.73 0.00 -3.72 -0.44 0.31 -0.75 -0.75 118.33 115.71 3d23 n VAL 160 Ca 0.06 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.25 3d23 n VAL 160 Cb 0.44 0.04 -0.09 0.00 -0.91 0.00 0.00 33.84 33.33 3d23 n VAL 160 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 3d23 s TYR 161 N 0.00 -0.35 -0.08 3.52 5.04 -1.04 -4.37 117.35 120.07 3d23 s TYR 161 Ca 0.00 0.71 -0.03 0.00 -2.44 0.00 0.00 57.07 55.31 3d23 s TYR 161 Cb 0.00 0.16 0.04 0.00 0.35 0.00 0.00 41.96 42.52 3d23 s TYR 161 CO 0.00 -0.36 0.13 1.41 -1.34 0.00 0.00 175.55 175.39 3d23 s MET 162 N -0.73 0.01 0.39 4.97 -2.45 0.10 -1.40 119.30 120.19 3d23 s MET 162 Ca -0.08 0.47 -0.23 0.00 -1.25 0.00 0.00 55.69 54.60 3d23 s MET 162 Cb -0.04 -0.44 -0.10 0.00 1.25 0.00 0.00 34.83 35.51 3d23 s MET 162 CO 0.04 -0.34 0.98 -1.58 1.05 0.00 0.00 175.02 175.16 3d23 s HIS 163 N 2.25 3.42 0.00 4.11 2.46 -0.14 -1.03 115.29 126.36 3d23 s HIS 163 Ca 0.04 1.68 0.00 0.00 0.47 0.00 0.00 55.06 57.25 3d23 s HIS 163 Cb -0.12 -2.95 0.00 0.00 -0.13 0.00 0.00 32.58 29.38 3d23 s HIS 163 CO -0.05 -0.15 0.00 1.04 -2.47 0.00 0.00 174.74 173.10 3d23 n GLN 164 N -0.10 2.05 -3.79 2.88 6.02 -0.68 -1.14 117.38 122.62 3d23 n GLN 164 Ca 0.05 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.90 3d23 n GLN 164 Cb 0.51 -0.35 -0.15 0.00 1.02 0.00 0.00 30.24 31.27 3d23 n GLN 164 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3d23 s LEU 165 N -0.52 1.19 -0.28 1.08 2.96 -0.11 -4.97 118.68 118.03 3d23 s LEU 165 Ca 0.00 0.14 -0.06 0.00 -0.22 0.00 0.00 54.13 53.99 3d23 s LEU 165 Cb 0.00 0.15 0.00 0.00 0.50 0.00 0.00 46.19 46.84 3d23 s LEU 165 CO 0.00 -0.10 0.07 -0.70 -1.32 0.00 0.00 176.35 174.30 3d23 s GLU 166 N 0.76 3.17 0.62 1.98 2.12 -1.26 -0.41 118.70 125.68 3d23 s GLU 166 Ca -0.06 -0.80 -0.16 0.00 0.36 0.00 0.00 54.97 54.31 3d23 s GLU 166 Cb -0.08 -3.33 -0.02 0.00 0.26 0.00 0.00 34.13 30.96 3d23 s GLU 166 CO -0.03 -0.40 1.10 -0.51 -0.54 0.00 0.00 175.26 174.89 3d23 s LEU 167 N 1.51 3.49 0.58 2.70 2.01 -0.01 -4.95 118.68 124.01 3d23 s LEU 167 Ca 0.03 2.00 0.37 0.00 0.01 0.00 0.00 54.13 56.54 3d23 s LEU 167 Cb -0.17 -4.55 1.39 0.00 0.01 0.00 0.00 46.19 42.87 3d23 s LEU 167 CO 0.02 -1.45 1.57 0.77 1.01 0.00 0.00 176.35 178.27 3d23 h SER 168 N 0.37 0.00 0.56 2.29 4.64 -1.87 0.57 113.55 120.11 3d23 h SER 168 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3d23 h SER 168 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3d23 h SER 168 CO 0.55 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.86 3d23 n THR 169 N -3.72 0.21 -0.00 2.95 -2.24 -1.26 -4.91 114.28 105.31 3d23 n THR 169 Ca 0.29 0.05 0.00 0.00 -2.27 0.00 0.00 64.05 62.12 3d23 n THR 169 Cb 1.54 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 69.14 3d23 n THR 169 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3d23 n GLY 170 N 0.91 0.83 3.97 3.38 0.00 0.19 -5.06 105.19 109.43 3d23 n GLY 170 Ca 0.11 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 3d23 n GLY 170 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d23 s HIS 172 N -2.75 1.98 0.30 0.00 0.09 0.76 -0.83 115.29 114.84 3d23 s HIS 172 Ca 0.57 -0.43 -0.11 0.00 -0.00 0.00 0.00 55.06 55.09 3d23 s HIS 172 Cb -0.10 -0.96 0.01 0.00 -0.00 0.00 0.00 32.58 31.52 3d23 s HIS 172 CO 0.38 0.42 0.54 -0.08 -0.00 0.00 0.00 174.74 176.00 3d23 s THR 173 N -2.09 0.00 0.00 1.30 -1.32 0.45 -0.49 115.64 113.49 3d23 s THR 173 Ca 0.19 -1.37 0.00 0.00 -1.21 0.00 0.00 61.69 59.30 3d23 s THR 173 Cb -0.06 -2.41 0.00 0.00 -1.51 0.00 0.00 72.50 68.52 3d23 s THR 173 CO 0.08 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.10 3d23 n GLY 174 N -0.46 2.08 3.51 6.08 0.00 -1.26 -0.94 105.19 114.20 3d23 n GLY 174 Ca -0.02 -0.47 -0.27 0.00 0.00 0.00 0.00 46.02 45.25 3d23 n GLY 174 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3d23 s THR 175 N -1.53 2.86 0.52 2.61 -4.23 -0.20 -2.12 115.64 113.55 3d23 s THR 175 Ca 0.00 -1.72 -0.05 0.00 -1.18 0.00 0.00 61.69 58.73 3d23 s THR 175 Cb 0.00 -2.38 0.11 0.00 1.34 0.00 0.00 72.50 71.57 3d23 s THR 175 CO 0.00 -0.06 0.71 -0.90 -0.54 0.00 0.00 174.62 173.83 3d23 n ASP 176 N 0.30 0.43 -0.61 3.99 5.68 -0.38 0.01 116.55 125.97 3d23 n ASP 176 Ca -0.13 -1.48 0.09 0.00 -0.50 0.00 0.00 54.79 52.77 3d23 n ASP 176 Cb 0.55 -0.51 0.30 0.00 -1.14 0.00 0.00 41.12 40.32 3d23 n ASP 176 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 3d23 n PHE 177 N -2.71 0.32 0.90 2.11 3.72 -1.26 -1.99 117.46 118.55 3d23 n PHE 177 Ca 0.10 -0.16 0.08 0.00 -0.05 0.00 0.00 57.45 57.42 3d23 n PHE 177 Cb 0.35 0.00 0.23 0.00 -0.94 0.00 0.00 39.48 39.12 3d23 n PHE 177 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 3d23 n THR 178 N 0.44 0.42 -1.00 4.37 -2.24 -1.26 -4.91 114.28 110.10 3d23 n THR 178 Ca 0.15 -0.47 -0.00 0.00 -2.27 0.00 0.00 64.05 61.46 3d23 n THR 178 Cb 0.33 0.31 -0.00 0.00 -2.10 0.00 0.00 70.33 68.87 3d23 n THR 178 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3d23 n GLY 179 N 1.12 0.48 3.78 3.38 0.00 -0.84 -4.37 105.19 108.74 3d23 n GLY 179 Ca 0.14 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 3d23 n GLY 179 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3d23 s ASN 180 N -2.03 6.62 0.26 1.61 3.84 -1.25 -0.30 114.94 123.70 3d23 s ASN 180 Ca 0.00 0.74 -0.29 0.00 0.21 0.00 0.00 52.86 53.51 3d23 s ASN 180 Cb 0.00 -2.22 -0.09 0.00 -0.55 0.00 0.00 41.25 38.39 3d23 s ASN 180 CO 0.00 0.18 1.19 -0.36 -2.79 0.00 0.00 177.10 175.32 3d23 s PHE 181 N -0.16 3.39 0.56 0.43 0.40 -1.26 -1.25 117.98 120.09 3d23 s PHE 181 Ca 0.21 1.52 -0.21 0.00 -0.60 0.00 0.00 56.93 57.85 3d23 s PHE 181 Cb -0.15 -3.44 -0.04 0.00 0.51 0.00 0.00 43.02 39.90 3d23 s PHE 181 CO 0.09 -1.13 1.36 0.66 0.70 0.00 0.00 175.22 176.90 3d23 n TYR 182 N 1.58 2.29 -2.47 0.36 4.01 -0.90 -4.80 117.16 117.22 3d23 n TYR 182 Ca 0.01 0.43 0.00 0.00 -0.16 0.00 0.00 57.90 58.18 3d23 n TYR 182 Cb 0.44 -2.36 0.00 0.00 -0.31 0.00 0.00 39.34 37.11 3d23 n TYR 182 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3d23 n GLY 183 N 0.77 1.05 1.17 2.72 0.00 -1.26 -3.65 105.19 105.98 3d23 n GLY 183 Ca 0.11 -0.57 0.10 0.00 0.00 0.00 0.00 46.02 45.66 3d23 n GLY 183 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3d23 n PRO 184 N 1.33 2.55 -1.37 1.61 -0.04 -1.26 -5.00 135.00 132.82 3d23 n PRO 184 Ca 0.00 -2.24 -0.29 0.00 -0.04 0.00 0.00 63.50 60.94 3d23 n PRO 184 Cb 0.00 -1.52 0.16 0.00 -0.04 0.00 0.00 33.50 32.10 3d23 n PRO 184 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 3d23 s TYR 185 N -1.27 2.17 -0.02 0.54 2.02 -1.24 -5.09 117.35 114.47 3d23 s TYR 185 Ca 0.41 0.85 -0.29 0.00 -0.37 0.00 0.00 57.07 57.67 3d23 s TYR 185 Cb 0.22 -3.37 0.08 0.00 -0.40 0.00 0.00 41.96 38.49 3d23 s TYR 185 CO 0.27 -2.71 0.70 -0.98 -1.57 0.00 0.00 175.55 171.25 3d23 s ARG 186 N -5.19 1.06 -1.50 -0.62 1.70 -1.26 -4.77 118.95 108.36 3d23 s ARG 186 Ca 0.65 0.08 -0.13 0.00 -0.47 0.00 0.00 55.73 55.87 3d23 s ARG 186 Cb -0.16 0.49 0.01 0.00 -0.57 0.00 0.00 34.95 34.73 3d23 s ARG 186 CO 0.55 -0.36 2.41 -0.40 -1.08 0.00 0.00 175.30 176.42 3d23 n ASP 187 N 0.60 5.15 -3.79 -2.89 5.75 -1.26 -4.83 116.55 115.27 3d23 n ASP 187 Ca -0.17 -2.78 -0.13 0.00 -0.01 0.00 0.00 54.79 51.70 3d23 n ASP 187 Cb 0.59 -1.63 -0.11 0.00 -1.03 0.00 0.00 41.12 38.94 3d23 n ASP 187 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3d23 s ALA 188 N 2.88 -0.60 -0.92 2.12 0.00 -1.26 -4.80 121.76 119.17 3d23 s ALA 188 Ca 0.53 0.53 -0.08 0.00 0.00 0.00 0.00 51.96 52.94 3d23 s ALA 188 Cb 0.15 -0.27 -0.17 0.00 0.00 0.00 0.00 23.12 22.84 3d23 s ALA 188 CO -0.08 -0.15 3.25 1.04 0.00 0.00 0.00 175.76 179.81 3d23 n GLN 189 N 2.48 2.96 -4.44 0.00 6.02 -0.44 -4.86 117.38 119.09 3d23 n GLN 189 Ca -0.15 -1.68 -0.25 0.00 -0.01 0.00 0.00 57.00 54.91 3d23 n GLN 189 Cb 0.57 -2.45 -0.10 0.00 1.02 0.00 0.00 30.24 29.28 3d23 n GLN 189 CO 0.00 0.00 0.00 0.14 -1.01 0.00 0.00 177.06 176.19 3d23 s VAL 190 N 1.67 2.52 0.00 5.09 -7.23 -1.26 -4.87 120.40 116.32 3d23 s VAL 190 Ca 0.68 -2.26 -0.37 0.00 -1.81 0.00 0.00 61.98 58.22 3d23 s VAL 190 Cb 0.24 -2.29 -0.16 0.00 0.56 0.00 0.00 36.38 34.72 3d23 s VAL 190 CO -0.03 -0.32 1.45 0.52 -0.31 0.00 0.00 175.10 176.41 3d23 n VAL 191 N -0.39 0.08 -3.48 1.32 0.31 -1.26 -4.96 118.33 109.95 3d23 n VAL 191 Ca -0.07 -0.01 -0.21 0.00 -0.01 0.00 0.00 64.34 64.04 3d23 n VAL 191 Cb 0.59 -0.95 -0.12 0.00 -0.91 0.00 0.00 33.84 32.45 3d23 n VAL 191 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3d23 s GLN 192 N 1.25 0.23 -0.15 5.55 -0.21 -1.26 -5.12 119.66 119.95 3d23 s GLN 192 Ca 0.88 -0.10 -0.22 0.00 0.02 0.00 0.00 55.36 55.93 3d23 s GLN 192 Cb -0.97 -1.04 -0.03 0.00 1.00 0.00 0.00 33.01 31.97 3d23 s GLN 192 CO 0.51 -0.87 0.69 -0.51 -2.12 0.00 0.00 175.29 172.99 3d23 s LEU 193 N 2.28 4.20 0.32 2.90 1.43 -1.26 -4.68 118.68 123.86 3d23 s LEU 193 Ca 0.08 1.01 -0.28 0.00 -1.03 0.00 0.00 54.13 53.90 3d23 s LEU 193 Cb -0.15 -3.02 -0.10 0.00 0.03 0.00 0.00 46.19 42.95 3d23 s LEU 193 CO -0.25 -0.26 1.18 -2.16 0.23 0.00 0.00 176.35 175.10 3d23 s PRO 194 N 1.64 4.44 0.97 1.29 0.04 -1.26 -5.02 135.00 137.11 3d23 s PRO 194 Ca 0.33 1.96 -0.11 0.00 0.04 0.00 0.00 61.00 63.22 3d23 s PRO 194 Cb -0.16 -3.06 0.17 0.00 0.04 0.00 0.00 34.50 31.49 3d23 s PRO 194 CO 0.13 -0.02 1.10 0.54 0.04 0.00 0.00 177.00 178.79 3d23 s VAL 195 N -1.20 2.26 0.80 -0.36 0.11 -1.26 -4.99 120.40 115.76 3d23 s VAL 195 Ca 0.48 0.08 -0.14 0.00 -2.93 0.00 0.00 61.98 59.48 3d23 s VAL 195 Cb -0.34 -2.22 0.06 0.00 -1.53 0.00 0.00 36.38 32.34 3d23 s VAL 195 CO 0.45 -0.11 1.08 2.29 -3.33 0.00 0.00 175.10 175.48 3d23 n LYS 196 N -4.32 0.20 -4.51 1.54 2.85 -1.26 -4.66 118.16 108.01 3d23 n LYS 196 Ca 0.08 0.14 -0.34 0.00 -1.05 0.00 0.00 58.31 57.14 3d23 n LYS 196 Cb 0.53 -2.34 -0.11 0.00 -0.65 0.00 0.00 35.03 32.46 3d23 n LYS 196 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3d23 s ASP 197 N -2.01 4.85 -0.05 -5.58 2.15 -1.26 -4.30 116.67 110.48 3d23 s ASP 197 Ca 0.72 0.01 -0.06 0.00 0.43 0.00 0.00 52.55 53.65 3d23 s ASP 197 Cb -0.30 -1.38 -0.04 0.00 -0.30 0.00 0.00 42.92 40.90 3d23 s ASP 197 CO 0.52 0.33 0.19 -0.31 -0.17 0.00 0.00 175.17 175.73 3d23 s TYR 198 N -0.60 3.58 0.30 -5.34 2.02 -1.26 -4.93 117.35 111.11 3d23 s TYR 198 Ca 0.09 0.49 -0.30 0.00 -0.37 0.00 0.00 57.07 56.99 3d23 s TYR 198 Cb -0.12 -1.92 -0.11 0.00 -0.40 0.00 0.00 41.96 39.41 3d23 s TYR 198 CO 0.02 0.68 1.52 0.08 -1.57 0.00 0.00 175.55 176.28 3d23 s VAL 199 N -1.20 2.27 -0.62 0.71 1.01 -0.02 -4.62 120.40 117.93 3d23 s VAL 199 Ca 0.22 0.23 -0.19 0.00 0.00 0.00 0.00 61.98 62.24 3d23 s VAL 199 Cb -0.13 -3.15 0.10 0.00 0.00 0.00 0.00 36.38 33.21 3d23 s VAL 199 CO 0.12 0.04 0.75 -1.10 0.00 0.00 0.00 175.10 174.92 3d23 s GLN 200 N -0.78 3.09 0.14 2.72 -1.52 -1.26 -0.71 119.66 121.34 3d23 s GLN 200 Ca 0.60 -1.33 -0.15 0.00 -1.95 0.00 0.00 55.36 52.53 3d23 s GLN 200 Cb -0.45 -4.30 0.01 0.00 -0.22 0.00 0.00 33.01 28.05 3d23 s GLN 200 CO 0.49 -1.58 1.69 1.15 -0.25 0.00 0.00 175.29 176.79 3d23 h THR 201 N 5.89 1.21 0.00 -0.19 2.02 -1.87 -1.90 112.91 118.07 3d23 h THR 201 Ca -0.26 -0.65 -0.02 0.00 0.77 0.00 0.00 66.41 66.25 3d23 h THR 201 Cb 1.08 0.79 -0.00 0.00 -1.74 0.00 0.00 68.15 68.28 3d23 h THR 201 CO 1.10 0.24 -0.07 -0.37 0.37 0.00 0.00 175.52 176.79 3d23 h VAL 202 N 0.59 0.36 -0.09 3.16 -1.51 -1.91 0.29 116.25 117.14 3d23 h VAL 202 Ca 0.15 -0.42 -0.21 0.00 -1.23 0.00 0.00 66.70 64.99 3d23 h VAL 202 Cb 0.21 1.30 0.01 0.00 -2.13 0.00 0.00 31.29 30.68 3d23 h VAL 202 CO -0.01 0.07 -0.76 0.78 -1.23 0.00 0.00 177.57 176.42 3d23 h ASN 203 N 0.00 0.83 -0.61 4.19 4.21 -1.59 -0.42 115.58 122.19 3d23 h ASN 203 Ca -0.00 -0.67 -0.03 0.00 1.21 0.00 0.00 56.30 56.81 3d23 h ASN 203 Cb 0.30 -0.25 -0.03 0.00 -1.12 0.00 0.00 38.32 37.22 3d23 h ASN 203 CO 0.01 1.37 0.28 0.58 -1.29 0.00 0.00 177.43 178.38 3d23 h VAL 204 N 0.35 1.22 -0.80 2.81 2.07 -0.62 -0.14 116.25 121.15 3d23 h VAL 204 Ca -0.07 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 66.81 3d23 h VAL 204 Cb 1.41 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 3d23 h VAL 204 CO 0.15 0.26 0.51 0.40 0.02 0.00 0.00 177.57 178.91 3d23 h ILE 205 N 0.84 1.21 -0.40 4.57 2.04 -0.88 -0.29 117.51 124.60 3d23 h ILE 205 Ca 0.21 -0.42 0.01 0.00 1.00 0.00 0.00 64.86 65.66 3d23 h ILE 205 Cb 0.15 0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.26 3d23 h ILE 205 CO -0.02 0.21 0.25 0.00 0.00 0.00 0.00 178.15 178.59 3d23 h ALA 206 N 1.28 0.51 -0.07 1.87 0.00 -0.51 0.19 119.26 122.53 3d23 h ALA 206 Ca 0.29 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 3d23 h ALA 206 Cb -0.09 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3d23 h ALA 206 CO -0.06 -0.07 -0.25 2.35 0.00 0.00 0.00 179.25 181.22 3d23 h TRP 207 N 0.50 0.13 -0.27 0.00 7.01 -0.33 0.26 115.95 123.25 3d23 h TRP 207 Ca 0.16 -0.02 -0.07 0.00 2.11 0.00 0.00 58.89 61.07 3d23 h TRP 207 Cb -0.02 -0.03 -0.01 0.00 -2.10 0.00 0.00 29.16 27.00 3d23 h TRP 207 CO -0.06 0.36 -0.11 -0.07 -2.79 0.00 0.00 178.44 175.77 3d23 h LEU 208 N 0.11 0.56 -0.87 0.65 4.07 0.04 0.14 115.31 120.00 3d23 h LEU 208 Ca 0.02 -0.40 0.01 0.00 0.08 0.00 0.00 57.88 57.60 3d23 h LEU 208 Cb 0.50 -0.15 -0.05 0.00 1.08 0.00 0.00 40.66 42.04 3d23 h LEU 208 CO 0.04 0.83 0.57 1.88 -1.08 0.00 0.00 178.44 180.68 3d23 h TYR 209 N 0.28 1.08 -0.48 1.13 0.05 0.25 -0.20 116.97 119.08 3d23 h TYR 209 Ca 0.06 0.03 0.06 0.00 0.05 0.00 0.00 58.73 58.93 3d23 h TYR 209 Cb 0.61 -0.36 -0.05 0.00 1.01 0.00 0.00 36.73 37.93 3d23 h TYR 209 CO 0.06 0.67 0.19 0.00 -1.05 0.00 0.00 178.16 178.02 3d23 h ALA 210 N 1.33 0.59 -0.41 3.88 0.00 -0.15 -1.02 119.26 123.48 3d23 h ALA 210 Ca 0.32 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.32 3d23 h ALA 210 Cb -0.10 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 3d23 h ALA 210 CO -0.08 -0.19 0.18 0.00 0.00 0.00 0.00 179.25 179.16 3d23 h ALA 211 N 1.30 0.50 0.03 0.00 0.00 -0.08 -1.79 119.26 119.23 3d23 h ALA 211 Ca 0.22 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.18 3d23 h ALA 211 Cb 0.21 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3d23 h ALA 211 CO -0.21 -0.19 -0.17 0.82 0.00 0.00 0.00 179.25 179.50 3d23 h ILE 212 N 0.37 0.60 0.00 0.00 2.04 -0.36 -0.19 117.51 119.98 3d23 h ILE 212 Ca 0.18 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.04 3d23 h ILE 212 Cb 0.12 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 36.80 3d23 h ILE 212 CO -0.15 0.00 0.20 -0.07 0.00 0.00 0.00 178.15 178.13 3d23 h LEU 213 N -0.29 0.00 -3.36 1.44 -0.00 -0.69 0.30 115.31 112.70 3d23 h LEU 213 Ca 0.04 0.00 -0.23 0.00 -0.00 0.00 0.00 57.88 57.69 3d23 h LEU 213 Cb 0.35 0.00 -0.15 0.00 -0.00 0.00 0.00 40.66 40.85 3d23 h LEU 213 CO -0.14 0.00 -0.35 0.59 -0.00 0.00 0.00 178.44 178.55 3d23 n ASN 214 N -2.41 3.03 -3.59 -0.43 4.13 -0.15 -4.95 115.26 110.89 3d23 n ASN 214 Ca -0.01 -3.83 -0.27 0.00 1.68 0.00 0.00 54.58 52.15 3d23 n ASN 214 Cb 0.24 -0.55 0.05 0.00 -1.54 0.00 0.00 39.78 37.97 3d23 n ASN 214 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3d23 n ASN 215 N -1.02 -5.11 -3.14 6.41 5.03 0.10 -4.97 115.26 112.57 3d23 n ASN 215 Ca 0.32 -0.93 -0.13 0.00 0.87 0.00 0.00 54.58 54.72 3d23 n ASN 215 Cb 0.88 -3.86 -0.04 0.00 -1.02 0.00 0.00 39.78 35.74 3d23 n ASN 215 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3d23 n ALA 217 N 3.46 2.86 -0.06 0.00 0.00 -1.26 -3.68 120.51 121.82 3d23 n ALA 217 Ca 0.18 -2.85 0.13 0.00 0.00 0.00 0.00 53.44 50.91 3d23 n ALA 217 Cb 0.51 -0.38 0.54 0.00 0.00 0.00 0.00 19.45 20.12 3d23 n ALA 217 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 3d23 h TRP 218 N 0.46 0.35 0.00 0.00 5.08 -1.97 0.12 115.95 119.99 3d23 h TRP 218 Ca -0.01 0.01 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3d23 h TRP 218 Cb 1.05 -0.11 0.00 0.00 -3.00 0.00 0.00 29.16 27.09 3d23 h TRP 218 CO 0.33 0.16 0.00 1.97 -1.28 0.00 0.00 178.44 179.63 3d23 n PHE 219 N -4.46 0.00 -3.05 0.12 -1.74 -1.26 -4.77 117.46 102.30 3d23 n PHE 219 Ca 0.10 0.00 -0.41 0.00 -0.56 0.00 0.00 57.45 56.58 3d23 n PHE 219 Cb 0.42 -0.22 -0.06 0.00 1.52 0.00 0.00 39.48 41.14 3d23 n PHE 219 CO 0.00 0.00 0.00 0.08 -0.56 0.00 0.00 176.76 176.28 3d23 s VAL 220 N -2.45 4.96 0.00 1.97 1.01 0.41 -4.72 120.40 121.58 3d23 s VAL 220 Ca 0.25 1.27 0.00 0.00 0.00 0.00 0.00 61.98 63.51 3d23 s VAL 220 Cb 0.16 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.55 3d23 s VAL 220 CO 0.34 0.04 0.00 0.00 0.00 0.00 0.00 175.10 175.48 3d23 n GLN 221 N 5.48 3.21 -0.17 2.72 6.02 -1.26 -5.05 117.38 128.33 3d23 n GLN 221 Ca 0.01 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.08 3d23 n GLN 221 Cb 0.49 0.00 0.17 0.00 1.02 0.00 0.00 30.24 31.92 3d23 n GLN 221 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3d23 n ASN 222 N 0.00 3.00 -4.87 1.08 5.03 -1.26 -4.94 115.26 113.30 3d23 n ASN 222 Ca 0.00 -1.89 -0.30 0.00 0.87 0.00 0.00 54.58 53.26 3d23 n ASN 222 Cb 0.00 -0.22 -0.02 0.00 -1.02 0.00 0.00 39.78 38.52 3d23 n ASN 222 CO 0.00 0.00 0.00 1.51 -1.83 0.00 0.00 177.26 176.94 3d23 s ASP 223 N -1.13 6.44 0.05 6.41 3.84 -1.26 -5.08 116.67 125.94 3d23 s ASP 223 Ca 0.29 1.27 0.02 0.00 -0.00 0.00 0.00 52.55 54.12 3d23 s ASP 223 Cb 0.16 -2.39 -0.03 0.00 -1.38 0.00 0.00 42.92 39.29 3d23 s ASP 223 CO 0.22 -0.58 -0.07 0.54 -0.00 0.00 0.00 175.17 175.28 3d23 s VAL 224 N -2.67 0.51 -0.08 2.11 0.11 -1.26 -4.50 120.40 114.61 3d23 s VAL 224 Ca 0.53 -1.19 -0.03 0.00 -2.93 0.00 0.00 61.98 58.36 3d23 s VAL 224 Cb -0.10 -0.73 0.04 0.00 -1.53 0.00 0.00 36.38 34.06 3d23 s VAL 224 CO 0.38 -0.47 0.16 0.00 -3.33 0.00 0.00 175.10 171.84 3d23 s SER 226 N 1.83 4.91 0.27 0.00 1.04 -1.26 -4.47 113.70 116.01 3d23 s SER 226 Ca -0.02 2.04 0.02 0.00 0.48 0.00 0.00 55.95 58.47 3d23 s SER 226 Cb -0.12 -2.55 0.37 0.00 0.10 0.00 0.00 66.02 63.82 3d23 s SER 226 CO -0.06 -1.77 1.69 0.71 0.98 0.00 0.00 173.24 174.79 3d23 h THR 227 N -0.13 1.28 -0.09 2.02 1.35 -1.98 -0.28 112.91 115.09 3d23 h THR 227 Ca -0.47 -1.39 0.03 0.00 -0.55 0.00 0.00 66.41 64.03 3d23 h THR 227 Cb 1.25 1.46 -0.03 0.00 -1.73 0.00 0.00 68.15 69.10 3d23 h THR 227 CO 0.53 0.43 -0.09 -0.33 -0.25 0.00 0.00 175.52 175.82 3d23 h GLU 228 N 0.39 -0.10 -0.18 4.72 5.08 -1.96 -0.07 114.58 122.45 3d23 h GLU 228 Ca 0.05 0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.27 3d23 h GLU 228 Cb 0.75 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 3d23 h GLU 228 CO 0.06 -0.07 -0.49 -0.44 -1.00 0.00 0.00 179.01 177.07 3d23 h ASP 229 N -0.11 0.53 -0.66 1.42 3.45 -1.86 -2.76 116.42 116.44 3d23 h ASP 229 Ca 0.07 -0.26 -0.00 0.00 0.43 0.00 0.00 57.03 57.26 3d23 h ASP 229 Cb 0.20 -0.15 -0.03 0.00 -0.56 0.00 0.00 39.33 38.79 3d23 h ASP 229 CO -0.16 0.94 0.40 0.15 -1.57 0.00 0.00 179.24 178.99 3d23 h PHE 230 N 0.39 0.88 0.38 4.55 3.57 -0.91 -2.27 116.94 123.52 3d23 h PHE 230 Ca 0.02 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.50 3d23 h PHE 230 Cb 1.00 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.46 3d23 h PHE 230 CO 0.04 0.60 -0.18 -0.91 -2.23 0.00 0.00 178.31 175.62 3d23 h ASN 231 N 0.90 -0.43 -0.65 0.41 -0.26 -0.71 0.21 115.58 115.05 3d23 h ASN 231 Ca 0.24 -0.08 0.11 0.00 -0.56 0.00 0.00 56.30 56.01 3d23 h ASN 231 Cb -0.02 0.11 -0.11 0.00 -1.06 0.00 0.00 38.32 37.24 3d23 h ASN 231 CO -0.04 -0.18 -0.23 0.52 -1.06 0.00 0.00 177.43 176.44 3d23 n VAL 232 N -5.24 -0.32 -0.14 2.81 0.31 -1.15 -0.63 118.33 113.96 3d23 n VAL 232 Ca -0.10 1.51 -0.07 0.00 -0.01 0.00 0.00 64.34 65.66 3d23 n VAL 232 Cb 0.26 -2.02 0.09 0.00 -0.91 0.00 0.00 33.84 31.26 3d23 n VAL 232 CO 0.00 0.00 0.00 -0.25 -1.32 0.00 0.00 176.83 175.26 3d23 h TRP 233 N 0.00 0.97 0.60 3.52 7.01 -0.68 -3.37 115.95 124.01 3d23 h TRP 233 Ca 0.25 -0.18 -0.03 0.00 2.11 0.00 0.00 58.89 61.04 3d23 h TRP 233 Cb 0.41 -0.25 0.01 0.00 -2.10 0.00 0.00 29.16 27.23 3d23 h TRP 233 CO -0.55 0.92 -0.29 0.00 -2.79 0.00 0.00 178.44 175.73 3d23 h ALA 234 N 1.10 -0.81 0.00 2.65 0.00 0.18 -2.42 119.26 119.96 3d23 h ALA 234 Ca 0.14 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3d23 h ALA 234 Cb 0.59 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3d23 h ALA 234 CO 0.04 -0.83 0.00 -0.12 0.00 0.00 0.00 179.25 178.34 3d23 n MET 235 N -5.35 0.00 0.24 0.00 0.00 -1.11 -0.94 117.12 109.96 3d23 n MET 235 Ca -0.12 0.00 0.17 0.00 0.00 0.00 0.00 57.70 57.75 3d23 n MET 235 Cb 0.35 0.00 0.78 0.00 0.00 0.00 0.00 33.22 34.35 3d23 n MET 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3d23 h ALA 236 N 0.00 1.67 -0.20 -5.12 0.00 -1.64 -3.22 119.26 110.75 3d23 h ALA 236 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3d23 h ALA 236 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3d23 h ALA 236 CO 0.00 -0.47 0.00 0.09 0.00 0.00 0.00 179.25 178.87 3d23 n ASN 237 N -3.23 2.68 0.00 0.00 4.13 -0.11 -5.00 115.26 113.72 3d23 n ASN 237 Ca 0.02 -2.18 0.00 0.00 1.68 0.00 0.00 54.58 54.10 3d23 n ASN 237 Cb 0.48 -0.20 0.00 0.00 -1.54 0.00 0.00 39.78 38.52 3d23 n ASN 237 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3d23 n GLY 238 N -0.06 0.74 3.40 7.41 0.00 -0.74 -5.02 105.19 110.92 3d23 n GLY 238 Ca 0.09 -0.68 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 3d23 n GLY 238 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3d23 s PHE 239 N -2.00 2.60 0.74 1.61 0.40 -0.68 -0.84 117.98 119.81 3d23 s PHE 239 Ca 0.00 -0.37 -0.13 0.00 -0.60 0.00 0.00 56.93 55.83 3d23 s PHE 239 Cb 0.00 -1.63 0.04 0.00 0.51 0.00 0.00 43.02 41.95 3d23 s PHE 239 CO 0.00 0.02 1.12 -1.54 0.70 0.00 0.00 175.22 175.52 3d23 s SER 240 N -0.47 4.53 0.46 1.36 1.04 0.11 -3.19 113.70 117.53 3d23 s SER 240 Ca 0.06 1.99 -0.25 0.00 0.48 0.00 0.00 55.95 58.22 3d23 s SER 240 Cb -0.12 -2.54 -0.08 0.00 0.10 0.00 0.00 66.02 63.38 3d23 s SER 240 CO 0.01 -2.02 1.43 -1.10 0.98 0.00 0.00 173.24 172.54 3d23 s GLN 241 N -4.46 3.66 0.02 4.02 -1.52 -1.26 -4.46 119.66 115.66 3d23 s GLN 241 Ca 0.65 2.42 -0.20 0.00 -1.95 0.00 0.00 55.36 56.29 3d23 s GLN 241 Cb -0.20 -2.64 -0.06 0.00 -0.22 0.00 0.00 33.01 29.89 3d23 s GLN 241 CO 0.49 -0.84 0.57 0.08 -0.25 0.00 0.00 175.29 175.34 3d23 s VAL 242 N -1.20 4.85 0.11 1.09 1.01 -1.26 -4.79 120.40 120.21 3d23 s VAL 242 Ca 0.61 1.20 0.10 0.00 0.00 0.00 0.00 61.98 63.89 3d23 s VAL 242 Cb -0.44 -3.90 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 3d23 s VAL 242 CO 0.56 0.48 -0.24 -0.54 0.00 0.00 0.00 175.10 175.36 3d23 s LYS 243 N -0.60 1.31 0.32 2.72 1.02 -1.26 -5.01 119.74 118.24 3d23 s LYS 243 Ca 0.29 -1.24 -0.27 0.00 0.02 0.00 0.00 55.97 54.78 3d23 s LYS 243 Cb -0.19 -1.68 -0.14 0.00 -0.52 0.00 0.00 37.83 35.31 3d23 s LYS 243 CO 0.17 0.40 0.87 0.00 -0.92 0.00 0.00 175.35 175.87 3d23 n ALA 244 N 1.08 -0.72 -3.30 5.17 0.00 -1.26 -4.97 120.51 116.51 3d23 n ALA 244 Ca -0.18 0.34 -0.06 0.00 0.00 0.00 0.00 53.44 53.53 3d23 n ALA 244 Cb 0.53 -1.93 -0.06 0.00 0.00 0.00 0.00 19.45 17.98 3d23 n ALA 244 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3d23 s ASP 245 N -0.70 -0.13 0.35 0.00 -1.08 -1.26 -5.05 116.67 108.80 3d23 s ASP 245 Ca 0.61 0.36 0.05 0.00 -0.52 0.00 0.00 52.55 53.04 3d23 s ASP 245 Cb -0.69 1.35 0.64 0.00 -1.46 0.00 0.00 42.92 42.76 3d23 s ASP 245 CO 0.59 -0.29 1.91 -0.07 0.52 0.00 0.00 175.17 177.82 3d23 h LEU 246 N 8.14 0.50 -0.50 -1.34 3.38 -1.99 -1.85 115.31 121.64 3d23 h LEU 246 Ca -0.20 -0.08 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 3d23 h LEU 246 Cb 1.16 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 3d23 h LEU 246 CO 0.27 0.53 0.16 0.58 0.09 0.00 0.00 178.44 180.07 3d23 h VAL 247 N 0.52 1.23 -0.99 1.22 2.07 -1.96 -0.58 116.25 117.76 3d23 h VAL 247 Ca 0.12 -0.75 0.01 0.00 0.82 0.00 0.00 66.70 66.90 3d23 h VAL 247 Cb 0.26 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.75 3d23 h VAL 247 CO 0.00 0.28 0.65 -0.07 0.02 0.00 0.00 177.57 178.45 3d23 h LEU 248 N 0.68 1.13 -0.84 2.57 3.38 -1.84 0.73 115.31 121.12 3d23 h LEU 248 Ca 0.16 -0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.17 3d23 h LEU 248 Cb 0.26 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.67 3d23 h LEU 248 CO -0.01 0.82 0.51 0.44 0.09 0.00 0.00 178.44 180.29 3d23 h ASP 249 N 1.34 0.78 -0.38 -0.43 3.32 -0.99 0.83 116.42 120.90 3d23 h ASP 249 Ca 0.36 0.02 -0.14 0.00 0.02 0.00 0.00 57.03 57.30 3d23 h ASP 249 Cb -0.15 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.25 3d23 h ASP 249 CO -0.08 0.49 -0.31 0.00 -1.72 0.00 0.00 179.24 177.62 3d23 h ALA 250 N 1.41 0.55 -0.57 3.45 0.00 0.29 -0.71 119.26 123.68 3d23 h ALA 250 Ca 0.37 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3d23 h ALA 250 Cb 0.22 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3d23 h ALA 250 CO -0.19 0.60 0.28 -0.07 0.00 0.00 0.00 179.25 179.87 3d23 h LEU 251 N 0.69 0.71 -0.75 0.00 3.38 0.12 -0.41 115.31 119.05 3d23 h LEU 251 Ca 0.07 -0.07 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 3d23 h LEU 251 Cb 0.90 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 3d23 h LEU 251 CO 0.08 0.60 0.24 0.00 0.09 0.00 0.00 178.44 179.45 3d23 h ALA 252 N 1.51 0.98 0.65 1.53 0.00 0.10 -2.27 119.26 121.76 3d23 h ALA 252 Ca 0.20 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3d23 h ALA 252 Cb 0.08 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3d23 h ALA 252 CO -0.03 0.66 -0.37 0.77 0.00 0.00 0.00 179.25 180.28 3d23 h SER 253 N 1.11 -0.92 -0.69 0.00 0.02 -0.80 0.17 113.55 112.44 3d23 h SER 253 Ca 0.24 0.05 0.15 0.00 -0.84 0.00 0.00 61.79 61.39 3d23 h SER 253 Cb 0.30 0.26 -0.11 0.00 0.14 0.00 0.00 62.40 62.99 3d23 h SER 253 CO -0.01 -0.59 0.06 0.24 -1.14 0.00 0.00 176.83 175.39 3d23 h MET 254 N -0.95 0.16 0.00 3.45 2.07 -0.92 -3.18 114.93 115.56 3d23 h MET 254 Ca -0.08 -0.01 0.00 0.00 -2.07 0.00 0.00 59.70 57.54 3d23 h MET 254 Cb 0.76 -0.04 0.00 0.00 -1.87 0.00 0.00 31.60 30.45 3d23 h MET 254 CO 0.10 0.11 -1.81 0.25 1.07 0.00 0.00 176.91 176.62 3d23 n THR 255 N -5.25 0.09 -0.17 2.22 -2.24 -0.87 -4.98 114.28 103.07 3d23 n THR 255 Ca 0.12 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.41 3d23 n THR 255 Cb 0.42 -0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.64 3d23 n THR 255 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3d23 n GLY 256 N 1.26 1.63 3.46 3.38 0.00 0.04 -5.02 105.19 109.94 3d23 n GLY 256 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 3d23 n GLY 256 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3d23 s VAL 257 N -2.81 4.65 0.78 1.61 1.01 -1.22 -5.01 120.40 119.40 3d23 s VAL 257 Ca 0.00 -0.33 -0.11 0.00 0.00 0.00 0.00 61.98 61.54 3d23 s VAL 257 Cb 0.00 -3.33 0.06 0.00 0.00 0.00 0.00 36.38 33.11 3d23 s VAL 257 CO 0.00 0.12 1.08 -0.94 0.00 0.00 0.00 175.10 175.36 3d23 s SER 258 N 1.63 4.52 0.20 3.32 1.04 -1.26 -4.42 113.70 118.73 3d23 s SER 258 Ca 0.05 1.68 -0.10 0.00 0.48 0.00 0.00 55.95 58.06 3d23 s SER 258 Cb -0.17 -2.42 0.23 0.00 0.10 0.00 0.00 66.02 63.76 3d23 s SER 258 CO 0.06 -2.00 1.78 0.40 0.98 0.00 0.00 173.24 174.47 3d23 h ILE 259 N -1.11 0.91 -0.94 -1.02 2.04 -1.96 -2.95 117.51 112.48 3d23 h ILE 259 Ca -0.45 -0.19 0.02 0.00 1.00 0.00 0.00 64.86 65.24 3d23 h ILE 259 Cb 1.24 0.30 -0.05 0.00 -0.74 0.00 0.00 36.82 37.57 3d23 h ILE 259 CO 0.54 0.10 0.62 -0.33 0.00 0.00 0.00 178.15 179.08 3d23 h GLU 260 N 0.56 1.20 -0.74 2.37 3.07 -1.92 0.20 114.58 119.32 3d23 h GLU 260 Ca 0.28 -0.07 0.15 0.00 -0.50 0.00 0.00 59.36 59.22 3d23 h GLU 260 Cb 0.23 -0.27 -0.05 0.00 -0.84 0.00 0.00 28.75 27.82 3d23 h GLU 260 CO -0.21 0.79 0.50 1.15 -1.40 0.00 0.00 179.01 179.84 3d23 h THR 261 N 1.23 0.78 0.00 1.13 2.02 -1.75 -2.05 112.91 114.28 3d23 h THR 261 Ca 0.36 -0.13 -0.21 0.00 0.77 0.00 0.00 66.41 67.21 3d23 h THR 261 Cb -0.07 0.38 -0.03 0.00 -1.74 0.00 0.00 68.15 66.69 3d23 h THR 261 CO -0.10 0.07 -1.10 -0.07 0.37 0.00 0.00 175.52 174.69 3d23 h LEU 262 N 0.37 0.00 -0.78 2.58 3.38 -0.60 -2.39 115.31 117.87 3d23 h LEU 262 Ca 0.36 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.27 3d23 h LEU 262 Cb 0.88 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 3d23 h LEU 262 CO -0.11 0.89 0.22 -0.07 0.09 0.00 0.00 178.44 179.46 3d23 h LEU 263 N 0.00 1.06 0.10 1.67 3.38 -1.01 0.60 115.31 121.12 3d23 h LEU 263 Ca -0.08 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.69 3d23 h LEU 263 Cb 1.75 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 42.22 3d23 h LEU 263 CO 0.10 0.99 -0.05 0.00 0.09 0.00 0.00 178.44 179.57 3d23 h ALA 264 N 1.15 -0.13 -0.84 1.53 0.00 -1.38 -1.22 119.26 118.36 3d23 h ALA 264 Ca 0.23 -0.08 0.10 0.00 0.00 0.00 0.00 54.91 55.17 3d23 h ALA 264 Cb 0.31 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.08 3d23 h ALA 264 CO -0.01 -0.52 0.48 0.00 0.00 0.00 0.00 179.25 179.20 3d23 h ALA 265 N 0.65 1.21 -0.23 0.00 0.00 -1.17 -1.08 119.26 118.65 3d23 h ALA 265 Ca -0.01 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3d23 h ALA 265 Cb 0.19 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3d23 h ALA 265 CO 0.02 0.09 0.10 0.82 0.00 0.00 0.00 179.25 180.28 3d23 h ILE 266 N 0.79 0.98 -0.35 0.00 2.04 -0.48 0.24 117.51 120.73 3d23 h ILE 266 Ca 0.41 -0.08 0.02 0.00 1.00 0.00 0.00 64.86 66.21 3d23 h ILE 266 Cb 0.40 0.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 3d23 h ILE 266 CO -0.26 0.04 0.18 0.11 0.00 0.00 0.00 178.15 178.23 3d23 h LYS 267 N 0.22 0.37 0.47 2.37 1.57 -0.03 -0.26 116.57 121.27 3d23 h LYS 267 Ca 0.09 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3d23 h LYS 267 Cb 0.04 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.24 3d23 h LYS 267 CO -0.08 0.24 -0.48 0.00 -0.57 0.00 0.00 179.45 178.57 3d23 h ARG 268 N 0.38 -0.91 -0.45 3.15 3.08 -1.10 -3.13 114.38 115.39 3d23 h ARG 268 Ca 0.14 0.06 0.13 0.00 0.07 0.00 0.00 59.98 60.38 3d23 h ARG 268 Cb 0.04 0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.27 3d23 h ARG 268 CO -0.09 -0.61 0.35 -0.07 -1.07 0.00 0.00 179.97 178.49 3d23 h LEU 269 N -0.94 0.00 -2.37 3.04 3.38 -0.07 0.49 115.31 118.84 3d23 h LEU 269 Ca -0.06 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.93 3d23 h LEU 269 Cb 0.82 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.57 3d23 h LEU 269 CO -0.06 0.00 0.20 0.22 0.09 0.00 0.00 178.44 178.89 3d23 h TYR 270 N 0.00 0.00 -0.02 1.13 3.20 -1.00 0.73 116.97 121.01 3d23 h TYR 270 Ca 0.21 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.08 3d23 h TYR 270 Cb 0.92 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.19 3d23 h TYR 270 CO 0.00 0.00 0.00 -1.33 -1.64 0.00 0.00 178.16 175.19 3d23 n MET 271 N -3.23 1.06 0.00 1.82 2.81 0.17 -5.00 117.12 114.76 3d23 n MET 271 Ca -0.01 -0.10 0.00 0.00 -1.81 0.00 0.00 57.70 55.78 3d23 n MET 271 Cb 0.28 -1.15 0.00 0.00 -0.71 0.00 0.00 33.22 31.64 3d23 n MET 271 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3d23 n GLY 272 N 0.67 2.10 0.00 3.03 0.00 0.25 -4.93 105.19 106.30 3d23 n GLY 272 Ca 0.07 -2.00 0.09 0.00 0.00 0.00 0.00 46.02 44.18 3d23 n GLY 272 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3d23 n PHE 273 N 0.98 0.00 -3.45 1.61 0.99 -1.26 -4.58 117.46 111.75 3d23 n PHE 273 Ca 0.00 0.00 -0.20 0.00 -0.00 0.00 0.00 57.45 57.25 3d23 n PHE 273 Cb 0.00 -0.12 0.08 0.00 -1.00 0.00 0.00 39.48 38.44 3d23 n PHE 273 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.76 177.80 3d23 n GLN 274 N -1.63 -6.96 -0.81 -1.08 3.00 -1.26 -2.13 117.38 106.51 3d23 n GLN 274 Ca 0.02 0.79 -0.03 0.00 -0.01 0.00 0.00 57.00 57.77 3d23 n GLN 274 Cb 0.35 -5.69 -0.01 0.00 0.00 0.00 0.00 30.24 24.88 3d23 n GLN 274 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3d23 n GLY 275 N -1.56 0.29 3.77 1.08 0.00 -1.26 -4.93 105.19 102.57 3d23 n GLY 275 Ca -0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 3d23 n GLY 275 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3d23 s ARG 276 N -1.70 3.92 0.10 1.61 0.52 -0.90 -5.04 118.95 117.45 3d23 s ARG 276 Ca 0.00 1.94 0.02 0.00 -0.52 0.00 0.00 55.73 57.17 3d23 s ARG 276 Cb 0.00 -2.62 -0.04 0.00 0.52 0.00 0.00 34.95 32.81 3d23 s ARG 276 CO 0.00 -0.46 0.17 -0.65 0.02 0.00 0.00 175.30 174.38 3d23 s GLN 277 N -2.39 3.19 -0.19 3.54 -0.21 -1.26 -4.78 119.66 117.56 3d23 s GLN 277 Ca 0.59 -0.60 0.01 0.00 0.02 0.00 0.00 55.36 55.38 3d23 s GLN 277 Cb -0.33 -2.88 0.03 0.00 1.00 0.00 0.00 33.01 30.84 3d23 s GLN 277 CO 0.41 0.56 -0.16 0.42 -2.12 0.00 0.00 175.29 174.40 3d23 s ILE 278 N -1.55 1.95 -1.27 1.08 1.01 -0.42 -4.78 121.20 117.22 3d23 s ILE 278 Ca 0.33 -1.02 -0.03 0.00 0.00 0.00 0.00 60.65 59.92 3d23 s ILE 278 Cb -0.12 -1.85 -0.01 0.00 0.01 0.00 0.00 42.46 40.49 3d23 s ILE 278 CO 0.26 0.38 0.70 0.18 0.00 0.00 0.00 174.94 176.46 3d23 n LEU 279 N 4.62 -3.18 -2.77 2.97 4.77 -1.26 -2.18 117.00 119.96 3d23 n LEU 279 Ca -0.18 -0.86 -0.19 0.00 -0.03 0.00 0.00 56.01 54.75 3d23 n LEU 279 Cb 0.48 -2.63 0.00 0.00 -2.33 0.00 0.00 43.42 38.95 3d23 n LEU 279 CO 0.24 0.40 -0.12 0.61 -1.33 0.00 0.00 177.39 177.19 3d23 n GLY 280 N -1.60 -0.50 3.10 -0.72 0.00 -1.26 -4.98 105.19 99.23 3d23 n GLY 280 Ca -0.26 0.05 -0.12 0.00 0.00 0.00 0.00 46.02 45.70 3d23 n GLY 280 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3d23 s SER 281 N -2.35 0.93 0.00 1.61 0.15 -0.93 -5.06 113.70 108.06 3d23 s SER 281 Ca 0.16 -0.75 0.06 0.00 0.70 0.00 0.00 55.95 56.12 3d23 s SER 281 Cb -0.08 0.07 -0.01 0.00 -1.71 0.00 0.00 66.02 64.29 3d23 s SER 281 CO 0.20 -0.33 0.45 0.00 1.20 0.00 0.00 173.24 174.76 3d23 s THR 283 N -1.13 2.20 0.30 0.00 -4.23 -1.26 -4.70 115.64 106.82 3d23 s THR 283 Ca 0.05 -2.13 -0.30 0.00 -1.18 0.00 0.00 61.69 58.13 3d23 s THR 283 Cb 0.05 -2.76 -0.12 0.00 1.34 0.00 0.00 72.50 71.01 3d23 s THR 283 CO 0.17 -0.14 1.48 0.49 -0.54 0.00 0.00 174.62 176.07 3d23 n PHE 284 N -0.86 2.58 -3.91 3.99 0.99 -1.26 -4.98 117.46 114.01 3d23 n PHE 284 Ca -0.05 0.38 -0.36 0.00 -0.00 0.00 0.00 57.45 57.43 3d23 n PHE 284 Cb 0.64 -2.52 -0.13 0.00 -1.00 0.00 0.00 39.48 36.48 3d23 n PHE 284 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 3d23 s GLU 285 N -0.94 3.59 -0.07 -1.08 2.56 -1.26 -4.98 118.70 116.52 3d23 s GLU 285 Ca 0.62 -0.52 0.10 0.00 0.00 0.00 0.00 54.97 55.17 3d23 s GLU 285 Cb -0.55 -3.16 0.16 0.00 2.00 0.00 0.00 34.13 32.57 3d23 s GLU 285 CO 0.53 -0.11 1.08 -0.40 -0.56 0.00 0.00 175.26 175.81 3d23 n ASP 286 N 4.61 1.21 0.05 -1.70 5.75 -1.26 -4.10 116.55 121.11 3d23 n ASP 286 Ca -0.17 -2.57 0.12 0.00 -0.01 0.00 0.00 54.79 52.17 3d23 n ASP 286 Cb 0.51 -0.32 0.28 0.00 -1.03 0.00 0.00 41.12 40.57 3d23 n ASP 286 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 3d23 n GLU 287 N -0.73 0.21 -3.71 0.11 1.02 -1.26 -4.78 120.64 111.50 3d23 n GLU 287 Ca 0.08 0.09 -0.35 0.00 -0.02 0.00 0.00 57.16 56.96 3d23 n GLU 287 Cb 0.68 -1.66 -0.08 0.00 -0.02 0.00 0.00 31.44 30.35 3d23 n GLU 287 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3d23 s LEU 288 N -3.97 4.22 0.52 -4.62 1.43 -1.26 -4.60 118.68 110.41 3d23 s LEU 288 Ca 0.09 0.28 -0.06 0.00 -1.03 0.00 0.00 54.13 53.40 3d23 s LEU 288 Cb 0.14 -2.12 -0.03 0.00 0.03 0.00 0.00 46.19 44.21 3d23 s LEU 288 CO 0.67 0.18 0.85 0.00 0.23 0.00 0.00 176.35 178.28 3d23 s ALA 289 N 0.30 3.32 0.23 4.21 0.00 -1.26 -4.50 121.76 124.07 3d23 s ALA 289 Ca 0.09 -0.44 -0.14 0.00 0.00 0.00 0.00 51.96 51.47 3d23 s ALA 289 Cb -0.11 -2.69 0.29 0.00 0.00 0.00 0.00 23.12 20.60 3d23 s ALA 289 CO -0.01 -0.48 1.58 -1.35 0.00 0.00 0.00 175.76 175.50 3d23 h PRO 290 N 0.06 -0.04 0.00 0.00 0.11 -1.88 -0.89 132.00 129.36 3d23 h PRO 290 Ca -0.46 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.61 3d23 h PRO 290 Cb 1.21 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 3d23 h PRO 290 CO 0.62 -0.02 -0.22 0.66 -0.21 0.00 0.00 178.00 178.83 3d23 h SER 291 N -0.04 0.00 0.37 -2.05 4.64 -1.96 0.02 113.55 114.54 3d23 h SER 291 Ca 0.35 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.66 3d23 h SER 291 Cb 0.59 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 3d23 h SER 291 CO -0.84 0.22 -0.18 0.44 -0.87 0.00 0.00 176.83 175.60 3d23 h ASP 292 N 0.00 -0.42 -0.74 4.97 3.32 -1.55 0.47 116.42 122.47 3d23 h ASP 292 Ca -0.00 -0.09 0.02 0.00 0.02 0.00 0.00 57.03 56.98 3d23 h ASP 292 Cb 0.43 0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.05 3d23 h ASP 292 CO 0.03 -0.16 0.48 0.58 -1.72 0.00 0.00 179.24 178.45 3d23 h VAL 293 N -0.68 1.15 0.75 -1.35 2.07 -0.86 -2.15 116.25 115.17 3d23 h VAL 293 Ca -0.05 -0.33 -0.04 0.00 0.82 0.00 0.00 66.70 67.11 3d23 h VAL 293 Cb 0.48 0.11 0.01 0.00 -1.52 0.00 0.00 31.29 30.37 3d23 h VAL 293 CO 0.08 0.17 -0.36 0.22 0.02 0.00 0.00 177.57 177.71 3d23 h TYR 294 N 0.95 -0.93 -0.93 1.57 3.20 -0.96 -0.07 116.97 119.81 3d23 h TYR 294 Ca 0.28 -0.02 0.28 0.00 3.14 0.00 0.00 58.73 62.41 3d23 h TYR 294 Cb -0.05 0.31 -0.15 0.00 1.54 0.00 0.00 36.73 38.38 3d23 h TYR 294 CO -0.03 -0.56 0.33 0.37 -1.64 0.00 0.00 178.16 176.63 3d23 h GLN 295 N -1.09 0.20 0.00 1.82 4.15 -0.70 -0.98 115.11 118.50 3d23 h GLN 295 Ca -0.10 -0.01 -0.23 0.00 0.77 0.00 0.00 58.65 59.07 3d23 h GLN 295 Cb 0.79 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.40 3d23 h GLN 295 CO 0.17 0.13 -1.18 1.96 -1.93 0.00 0.00 178.83 177.98 3d23 h GLN 296 N 0.21 0.00 0.00 1.69 4.20 -1.07 -1.18 115.11 118.97 3d23 h GLN 296 Ca 0.63 -0.01 -0.34 0.00 0.06 0.00 0.00 58.65 58.99 3d23 h GLN 296 Cb 1.36 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 29.08 3d23 h GLN 296 CO -0.68 0.88 -2.30 1.28 -0.67 0.00 0.00 178.83 177.34 3d23 n LEU 297 N -3.28 1.11 -0.11 1.46 4.77 -0.07 -4.62 117.00 116.27 3d23 n LEU 297 Ca -0.04 -0.05 -0.14 0.00 -0.03 0.00 0.00 56.01 55.75 3d23 n LEU 297 Cb 0.97 -0.02 -0.14 0.00 -2.33 0.00 0.00 43.42 41.90 3d23 n LEU 297 CO 0.47 0.62 -1.20 0.00 -1.33 0.00 0.00 177.39 175.94 3d23 n ALA 298 N -2.87 1.44 0.00 -1.18 0.00 -0.43 -5.08 120.51 112.38 3d23 n ALA 298 Ca -0.35 -1.16 0.00 0.00 0.00 0.00 0.00 53.44 51.93 3d23 n ALA 298 Cb 1.05 -0.20 0.00 0.00 0.00 0.00 0.00 19.45 20.30 3d23 n ALA 298 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91