#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d23 n SER 1 N 0.00 0.00 0.00 6.43 2.88 -1.26 -4.82 113.62 116.85 3d23 n SER 1 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3d23 n SER 1 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3d23 n SER 1 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3d23 n GLY 2 N 0.00 0.81 3.02 0.46 0.00 -1.26 -4.97 105.19 103.26 3d23 n GLY 2 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 3d23 n GLY 2 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3d23 s ILE 3 N -3.19 1.25 0.36 -0.61 1.01 -1.26 -4.79 121.20 113.97 3d23 s ILE 3 Ca 0.00 -0.52 0.04 0.00 0.00 0.00 0.00 60.65 60.17 3d23 s ILE 3 Cb 0.00 -1.16 -0.03 0.00 0.01 0.00 0.00 42.46 41.28 3d23 s ILE 3 CO 0.00 0.39 0.13 0.68 0.00 0.00 0.00 174.94 176.14 3d23 s VAL 4 N 0.89 0.59 -0.89 2.92 -7.23 -1.26 -5.06 120.40 110.35 3d23 s VAL 4 Ca -0.10 -2.00 -0.24 0.00 -1.81 0.00 0.00 61.98 57.83 3d23 s VAL 4 Cb -0.15 -2.47 0.05 0.00 0.56 0.00 0.00 36.38 34.36 3d23 s VAL 4 CO 0.01 0.00 1.35 -0.54 -0.31 0.00 0.00 175.10 175.61 3d23 s LYS 5 N -3.76 3.42 -0.07 4.82 -0.14 -1.26 -4.99 119.74 117.75 3d23 s LYS 5 Ca 0.30 -0.80 -0.16 0.00 -1.36 0.00 0.00 55.97 53.95 3d23 s LYS 5 Cb 0.04 -4.83 -0.05 0.00 -1.68 0.00 0.00 37.83 31.31 3d23 s LYS 5 CO 0.16 -2.15 0.43 1.41 -0.76 0.00 0.00 175.35 174.44 3d23 s MET 6 N 5.13 4.15 0.09 1.68 1.75 -1.26 -4.77 119.30 126.06 3d23 s MET 6 Ca 0.40 0.40 0.02 0.00 -1.25 0.00 0.00 55.69 55.26 3d23 s MET 6 Cb -0.04 -3.34 -0.04 0.00 2.84 0.00 0.00 34.83 34.25 3d23 s MET 6 CO 0.01 0.41 0.17 0.14 -0.65 0.00 0.00 175.02 175.09 3d23 s VAL 7 N -0.16 5.03 0.39 10.11 -7.23 -1.26 -4.81 120.40 122.47 3d23 s VAL 7 Ca 0.24 -0.61 -0.25 0.00 -1.81 0.00 0.00 61.98 59.54 3d23 s VAL 7 Cb -0.16 -3.47 -0.09 0.00 0.56 0.00 0.00 36.38 33.23 3d23 s VAL 7 CO 0.11 0.08 1.15 -0.44 -0.31 0.00 0.00 175.10 175.69 3d23 s SER 8 N -2.62 6.61 0.78 4.85 0.01 -1.26 -5.01 113.70 117.06 3d23 s SER 8 Ca 0.33 2.30 -0.15 0.00 1.31 0.00 0.00 55.95 59.74 3d23 s SER 8 Cb -0.12 -2.61 0.04 0.00 0.21 0.00 0.00 66.02 63.54 3d23 s SER 8 CO 0.26 -0.61 1.04 -0.81 0.41 0.00 0.00 173.24 173.53 3d23 n PRO 9 N 0.14 0.32 0.00 12.44 -0.04 -1.26 -4.94 135.00 141.66 3d23 n PRO 9 Ca 0.04 0.17 0.08 0.00 -0.04 0.00 0.00 63.50 63.75 3d23 n PRO 9 Cb 0.47 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.63 3d23 n PRO 9 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3d23 n THR 10 N -2.93 0.00 0.18 0.52 -2.24 -1.26 -4.66 114.28 103.89 3d23 n THR 10 Ca 0.13 -0.35 0.09 0.00 -2.27 0.00 0.00 64.05 61.65 3d23 n THR 10 Cb 0.50 1.20 0.61 0.00 -2.10 0.00 0.00 70.33 70.53 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 1.85 0.09 1.60 3.42 4.64 -2.01 0.56 113.55 123.70 3d23 h SER 11 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3d23 h SER 11 Cb 0.54 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 3d23 h SER 11 CO 0.00 0.06 0.00 0.11 -0.87 0.00 0.00 176.83 176.13 3d23 h LYS 12 N 0.10 0.00 0.02 4.77 1.57 -1.97 -3.37 116.57 117.70 3d23 h LYS 12 Ca 0.06 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.45 3d23 h LYS 12 Cb 0.11 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.36 3d23 h LYS 12 CO -0.01 0.00 -2.38 -0.89 -0.57 0.00 0.00 179.45 175.61 3d23 n ILE 13 N -2.71 1.54 -0.23 1.86 -0.00 0.09 -4.49 119.36 115.42 3d23 n ILE 13 Ca 0.04 -0.54 0.01 0.00 -0.00 0.00 0.00 62.75 62.26 3d23 n ILE 13 Cb 0.45 -1.55 0.09 0.00 -0.00 0.00 0.00 39.64 38.62 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 -0.16 0.03 0.00 0.38 5.08 -1.45 0.46 114.58 118.92 3d23 h GLU 14 Ca -0.57 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.79 3d23 h GLU 14 Cb 1.86 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 31.11 3d23 h GLU 14 CO -0.11 0.02 0.00 -0.35 -1.00 0.00 0.00 179.01 177.57 3d23 n PRO 15 N -5.41 0.46 0.00 2.33 -0.04 -1.26 -1.46 135.00 129.62 3d23 n PRO 15 Ca 0.09 0.01 0.14 0.00 -0.04 0.00 0.00 63.50 63.70 3d23 n PRO 15 Cb 0.37 -1.50 0.44 0.00 -0.04 0.00 0.00 33.50 32.77 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 -2.14 5.27 0.30 0.00 -1.09 -0.54 0.06 121.20 123.06 3d23 s ILE 17 Ca 0.33 0.68 0.05 0.00 -2.23 0.00 0.00 60.65 59.48 3d23 s ILE 17 Cb 0.20 -3.69 -0.06 0.00 -1.58 0.00 0.00 42.46 37.33 3d23 s ILE 17 CO 0.39 0.37 0.00 0.68 -1.23 0.00 0.00 174.94 175.15 3d23 s VAL 18 N 0.48 1.40 -0.06 2.92 -7.23 -0.86 -4.74 120.40 112.31 3d23 s VAL 18 Ca 0.19 -2.05 -0.04 0.00 -1.81 0.00 0.00 61.98 58.27 3d23 s VAL 18 Cb -0.14 -2.61 -0.04 0.00 0.56 0.00 0.00 36.38 34.15 3d23 s VAL 18 CO 0.06 -0.16 0.13 -0.94 -0.31 0.00 0.00 175.10 173.88 3d23 s SER 19 N -3.46 6.14 -0.07 4.85 1.04 0.24 -1.36 113.70 121.08 3d23 s SER 19 Ca 0.33 0.33 0.03 0.00 0.48 0.00 0.00 55.95 57.12 3d23 s SER 19 Cb 0.06 -1.90 0.01 0.00 0.10 0.00 0.00 66.02 64.29 3d23 s SER 19 CO 0.13 0.33 -0.14 -0.69 0.98 0.00 0.00 173.24 173.85 3d23 s VAL 20 N -1.15 1.29 -0.04 5.02 1.01 -1.00 -0.50 120.40 125.03 3d23 s VAL 20 Ca 0.21 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.64 3d23 s VAL 20 Cb -0.12 -1.16 -0.00 0.00 0.00 0.00 0.00 36.38 35.10 3d23 s VAL 20 CO 0.11 0.39 -0.13 -0.89 0.00 0.00 0.00 175.10 174.57 3d23 s THR 21 N 0.53 1.14 -0.08 3.92 2.01 0.76 -2.09 115.64 121.83 3d23 s THR 21 Ca -0.14 -0.55 -0.03 0.00 0.31 0.00 0.00 61.69 61.28 3d23 s THR 21 Cb -0.15 -0.99 0.04 0.00 0.01 0.00 0.00 72.50 71.41 3d23 s THR 21 CO 0.04 0.34 0.16 -0.47 -0.69 0.00 0.00 174.62 174.00 3d23 s TYR 22 N 0.11 -0.18 0.00 4.92 5.04 -0.15 -1.86 117.35 125.24 3d23 s TYR 22 Ca -0.04 0.55 0.00 0.00 -2.44 0.00 0.00 57.07 55.15 3d23 s TYR 22 Cb -0.10 -0.15 0.00 0.00 0.35 0.00 0.00 41.96 42.06 3d23 s TYR 22 CO 0.01 -0.21 0.00 0.41 -1.34 0.00 0.00 175.55 174.42 3d23 n GLY 23 N 4.66 3.67 1.65 8.97 0.00 -1.26 -1.60 105.19 121.28 3d23 n GLY 23 Ca -0.18 -0.05 0.08 0.00 0.00 0.00 0.00 46.02 45.87 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 7.03 5.25 -4.13 1.61 3.41 -1.26 -4.95 113.62 120.57 3d23 n SER 24 Ca 0.00 -2.88 -0.31 0.00 -0.26 0.00 0.00 58.87 55.42 3d23 n SER 24 Cb 0.00 -0.64 -0.17 0.00 -0.26 0.00 0.00 64.21 63.14 3d23 n SER 24 CO 0.00 0.00 0.00 -0.32 -0.16 0.00 0.00 175.04 174.56 3d23 s MET 25 N -2.66 2.68 0.01 4.33 0.00 -0.63 -5.12 119.30 117.92 3d23 s MET 25 Ca 0.52 -0.73 0.08 0.00 0.00 0.00 0.00 55.69 55.55 3d23 s MET 25 Cb 0.39 -2.17 -0.03 0.00 0.00 0.00 0.00 34.83 33.02 3d23 s MET 25 CO 0.16 0.00 -0.24 0.99 0.00 0.00 0.00 175.02 175.93 3d23 s THR 26 N 0.79 2.29 0.00 10.11 2.01 -1.26 -0.98 115.64 128.60 3d23 s THR 26 Ca -0.09 -1.17 0.00 0.00 0.31 0.00 0.00 61.69 60.74 3d23 s THR 26 Cb -0.16 -1.86 0.00 0.00 0.01 0.00 0.00 72.50 70.49 3d23 s THR 26 CO 0.00 0.48 0.00 0.00 -0.69 0.00 0.00 174.62 174.41 3d23 n LEU 27 N 2.08 0.00 -4.71 4.42 -0.00 -0.89 -4.84 117.00 113.06 3d23 n LEU 27 Ca -0.16 0.00 -0.24 0.00 -0.00 0.00 0.00 56.01 55.60 3d23 n LEU 27 Cb 0.52 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.87 3d23 n LEU 27 CO 0.24 0.00 -0.28 0.20 -0.00 0.00 0.00 177.39 177.55 3d23 s ASN 28 N 0.19 4.96 0.15 1.45 0.01 0.96 -2.39 114.94 120.27 3d23 s ASN 28 Ca 0.00 -0.40 0.00 0.00 -0.71 0.00 0.00 52.86 51.75 3d23 s ASN 28 Cb 0.00 -1.10 -0.04 0.00 0.41 0.00 0.00 41.25 40.52 3d23 s ASN 28 CO 0.00 0.03 0.03 -0.83 -1.51 0.00 0.00 177.10 174.83 3d23 s GLY 29 N -3.37 1.07 -0.17 0.66 0.00 -0.46 -4.03 107.32 101.02 3d23 s GLY 29 Ca 0.30 -1.52 0.00 0.00 0.00 0.00 0.00 44.72 43.51 3d23 s GLY 29 CO 0.21 -1.43 -0.16 -2.27 0.00 0.00 0.00 173.10 169.45 3d23 s LEU 30 N -3.10 2.39 -0.33 0.66 2.96 0.34 -2.03 118.68 119.57 3d23 s LEU 30 Ca 0.24 -0.53 -0.08 0.00 -0.22 0.00 0.00 54.13 53.53 3d23 s LEU 30 Cb 0.07 -1.55 0.02 0.00 0.50 0.00 0.00 46.19 45.22 3d23 s LEU 30 CO 0.02 0.03 0.13 0.86 -1.32 0.00 0.00 176.35 176.08 3d23 s TRP 31 N 1.11 3.20 -0.00 5.38 -0.00 0.11 -0.30 118.94 128.43 3d23 s TRP 31 Ca 0.00 -0.96 0.01 0.00 -0.00 0.00 0.00 56.10 55.15 3d23 s TRP 31 Cb -0.14 -2.33 -0.00 0.00 -0.00 0.00 0.00 33.47 31.00 3d23 s TRP 31 CO -0.06 -0.60 -0.03 -0.51 -0.00 0.00 0.00 176.95 175.76 3d23 s LEU 32 N 1.52 1.95 0.00 5.86 1.43 0.87 -4.67 118.68 125.64 3d23 s LEU 32 Ca 0.02 -0.06 0.00 0.00 -1.03 0.00 0.00 54.13 53.06 3d23 s LEU 32 Cb -0.18 -0.18 0.00 0.00 0.03 0.00 0.00 46.19 45.86 3d23 s LEU 32 CO 0.04 0.03 0.00 0.47 0.23 0.00 0.00 176.35 177.13 3d23 n ASP 33 N 3.07 0.00 -1.66 2.29 8.00 -1.26 0.06 116.55 127.05 3d23 n ASP 33 Ca -0.13 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.33 3d23 n ASP 33 Cb 0.58 0.00 0.28 0.00 -0.02 0.00 0.00 41.12 41.96 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 1.32 4.27 -4.60 -2.24 3.85 -1.26 -1.82 116.55 116.07 3d23 n ASP 34 Ca 0.00 -3.28 -0.34 0.00 -0.71 0.00 0.00 54.79 50.46 3d23 n ASP 34 Cb 0.00 -0.69 -0.11 0.00 -1.35 0.00 0.00 41.12 38.97 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 -3.01 2.75 -0.12 0.11 -0.14 0.11 -0.77 119.74 118.67 3d23 s LYS 35 Ca 0.51 -0.55 0.03 0.00 -1.36 0.00 0.00 55.97 54.60 3d23 s LYS 35 Cb 0.42 -2.61 0.01 0.00 -1.68 0.00 0.00 37.83 33.97 3d23 s LYS 35 CO 0.10 0.66 -0.21 0.54 -0.76 0.00 0.00 175.35 175.69 3d23 s VAL 36 N -0.85 1.93 -0.15 3.17 0.11 -0.14 -0.09 120.40 124.37 3d23 s VAL 36 Ca 0.13 -0.91 -0.07 0.00 -2.93 0.00 0.00 61.98 58.20 3d23 s VAL 36 Cb -0.11 -1.70 -0.04 0.00 -1.53 0.00 0.00 36.38 32.99 3d23 s VAL 36 CO 0.02 0.53 0.10 -0.31 -3.33 0.00 0.00 175.10 172.12 3d23 s TYR 37 N 0.72 3.42 0.20 1.54 2.02 0.59 -0.71 117.35 125.13 3d23 s TYR 37 Ca -0.10 0.34 -0.17 0.00 -0.37 0.00 0.00 57.07 56.77 3d23 s TYR 37 Cb -0.16 -2.01 0.03 0.00 -0.40 0.00 0.00 41.96 39.41 3d23 s TYR 37 CO 0.01 0.46 0.52 0.00 -1.57 0.00 0.00 175.55 174.97 3d23 s PRO 39 N -3.88 3.07 0.21 0.00 0.02 -1.26 -0.93 135.00 132.23 3d23 s PRO 39 Ca 0.10 1.96 0.07 0.00 0.02 0.00 0.00 61.00 63.15 3d23 s PRO 39 Cb -0.01 -2.07 0.14 0.00 0.02 0.00 0.00 34.50 32.58 3d23 s PRO 39 CO -0.02 -1.16 1.48 0.07 -0.33 0.00 0.00 177.00 177.04 3d23 h ARG 40 N 1.16 0.06 0.00 5.54 0.11 -1.61 -3.05 114.38 116.60 3d23 h ARG 40 Ca -0.50 -0.06 0.00 0.00 0.10 0.00 0.00 59.98 59.52 3d23 h ARG 40 Cb 1.30 0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.39 3d23 h ARG 40 CO 0.56 0.79 0.00 -2.39 0.10 0.00 0.00 179.97 179.03 3d23 n HIS 41 N -3.67 0.00 0.32 4.08 1.44 -1.26 -1.02 115.22 115.11 3d23 n HIS 41 Ca -0.01 0.00 0.20 0.00 -2.01 0.00 0.00 57.72 55.89 3d23 n HIS 41 Cb 0.73 0.00 1.04 0.00 0.12 0.00 0.00 29.99 31.88 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 0.12 -0.63 0.61 3.04 -1.92 -2.55 116.25 114.92 3d23 h VAL 42 Ca 0.00 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.54 3d23 h VAL 42 Cb 0.00 1.13 0.00 0.00 -2.01 0.00 0.00 31.29 30.41 3d23 h VAL 42 CO 0.00 0.01 0.00 2.30 -1.01 0.00 0.00 177.57 178.87 3d23 n ILE 43 N -3.23 1.34 -1.93 3.17 -5.35 -0.18 -4.59 119.36 108.58 3d23 n ILE 43 Ca -0.02 -1.00 -0.31 0.00 -0.27 0.00 0.00 62.75 61.14 3d23 n ILE 43 Cb 0.13 0.24 0.01 0.00 -1.74 0.00 0.00 39.64 38.29 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 -3.69 1.86 0.00 0.00 1.04 -1.26 -4.90 113.70 106.76 3d23 s SER 45 Ca 0.58 -0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.69 3d23 s SER 45 Cb -0.12 -0.84 0.00 0.00 0.10 0.00 0.00 66.02 65.16 3d23 s SER 45 CO 0.47 0.05 0.00 -1.54 0.98 0.00 0.00 173.24 173.20 3d23 n SER 46 N 3.75 0.00 -1.89 7.02 3.41 -1.26 -1.76 113.62 122.89 3d23 n SER 46 Ca -0.22 0.00 -0.19 0.00 -0.26 0.00 0.00 58.87 58.19 3d23 n SER 46 Cb 0.52 0.00 0.16 0.00 -0.26 0.00 0.00 64.21 64.63 3d23 n SER 46 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3d23 n SER 47 N 0.04 3.96 -0.00 4.04 3.41 -1.26 -4.50 113.62 119.31 3d23 n SER 47 Ca 0.00 -3.71 -0.00 0.00 -0.26 0.00 0.00 58.87 54.90 3d23 n SER 47 Cb 0.00 -0.77 -0.00 0.00 -0.26 0.00 0.00 64.21 63.18 3d23 n SER 47 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3d23 n ASN 48 N -1.09 0.11 -2.46 4.04 3.02 -0.72 -5.04 115.26 113.12 3d23 n ASN 48 Ca 0.51 0.02 -0.35 0.00 -0.03 0.00 0.00 54.58 54.73 3d23 n ASN 48 Cb 1.29 -0.23 -0.06 0.00 -0.61 0.00 0.00 39.78 40.16 3d23 n ASN 48 CO 0.00 0.00 0.00 0.23 -2.62 0.00 0.00 177.26 174.87 3d23 n MET 49 N -2.61 0.00 0.00 3.52 2.81 -1.26 -2.03 117.12 117.55 3d23 n MET 49 Ca -0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 3d23 n MET 49 Cb 0.02 -0.81 0.00 0.00 -0.71 0.00 0.00 33.22 31.72 3d23 n MET 49 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 3d23 n ASN 50 N 2.93 0.00 -3.19 7.83 5.15 -1.26 -4.83 115.26 121.89 3d23 n ASN 50 Ca 0.22 0.00 -0.21 0.00 -0.60 0.00 0.00 54.58 53.99 3d23 n ASN 50 Cb -0.03 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.16 3d23 n ASN 50 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 3d23 n GLU 51 N 0.00 0.39 -2.23 1.20 4.07 -0.86 -2.26 120.64 120.94 3d23 n GLU 51 Ca 0.00 -2.87 -0.41 0.00 -0.06 0.00 0.00 57.16 53.82 3d23 n GLU 51 Cb 0.00 -1.53 -0.03 0.00 -0.06 0.00 0.00 31.44 29.82 3d23 n GLU 51 CO 0.00 0.00 0.00 -2.14 -0.06 0.00 0.00 177.13 174.93 3d23 s PRO 52 N 0.02 4.42 -0.78 5.31 0.02 -1.26 -4.96 135.00 137.78 3d23 s PRO 52 Ca 0.33 2.06 -0.16 0.00 0.02 0.00 0.00 61.00 63.24 3d23 s PRO 52 Cb 0.07 -3.16 0.16 0.00 0.02 0.00 0.00 34.50 31.59 3d23 s PRO 52 CO -0.16 -0.15 0.82 0.34 -0.33 0.00 0.00 177.00 177.52 3d23 s ASP 53 N -0.11 6.55 0.21 2.53 2.15 -1.26 -4.94 116.67 121.80 3d23 s ASP 53 Ca 0.52 -2.16 -0.03 0.00 0.43 0.00 0.00 52.55 51.31 3d23 s ASP 53 Cb -0.37 -2.28 0.18 0.00 -0.30 0.00 0.00 42.92 40.16 3d23 s ASP 53 CO 0.43 -0.85 1.58 1.88 -0.17 0.00 0.00 175.17 178.04 3d23 h TYR 54 N 8.46 0.73 -0.54 -5.34 0.05 -1.99 -2.42 116.97 115.91 3d23 h TYR 54 Ca -0.01 -0.21 0.03 0.00 0.05 0.00 0.00 58.73 58.59 3d23 h TYR 54 Cb 1.05 -0.16 -0.04 0.00 1.01 0.00 0.00 36.73 38.60 3d23 h TYR 54 CO 1.00 0.92 0.32 0.66 -1.05 0.00 0.00 178.16 180.01 3d23 h SER 55 N 0.50 0.52 -0.49 3.88 4.64 -1.99 0.25 113.55 120.86 3d23 h SER 55 Ca 0.04 0.01 -0.04 0.00 -0.47 0.00 0.00 61.79 61.33 3d23 h SER 55 Cb 0.92 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.88 3d23 h SER 55 CO 0.08 0.36 0.16 0.00 -0.87 0.00 0.00 176.83 176.57 3d23 h ALA 56 N 1.25 1.27 -0.48 5.18 0.00 -1.99 -2.55 119.26 121.94 3d23 h ALA 56 Ca 0.22 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3d23 h ALA 56 Cb 0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3d23 h ALA 56 CO -0.10 0.52 0.20 -0.07 0.00 0.00 0.00 179.25 179.80 3d23 h LEU 57 N 0.79 0.66 -0.71 0.00 4.07 -0.80 -3.00 115.31 116.32 3d23 h LEU 57 Ca 0.18 -0.16 0.13 0.00 0.08 0.00 0.00 57.88 58.11 3d23 h LEU 57 Cb 0.24 -0.17 -0.09 0.00 1.08 0.00 0.00 40.66 41.72 3d23 h LEU 57 CO -0.01 0.64 0.26 0.25 -1.08 0.00 0.00 178.44 178.50 3d23 h LEU 58 N 0.64 0.21 -1.23 1.67 6.46 -0.13 -2.10 115.31 120.82 3d23 h LEU 58 Ca 0.16 0.11 0.21 0.00 -0.12 0.00 0.00 57.88 58.24 3d23 h LEU 58 Cb 0.18 0.10 -0.09 0.00 -0.73 0.00 0.00 40.66 40.12 3d23 h LEU 58 CO -0.01 0.09 0.62 0.00 -0.62 0.00 0.00 178.44 178.51 3d23 n ARG 60 N -4.66 0.09 -2.43 0.00 1.74 -0.80 -4.78 116.66 105.83 3d23 n ARG 60 Ca 0.22 -0.01 -0.42 0.00 -0.77 0.00 0.00 57.85 56.87 3d23 n ARG 60 Cb 0.67 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.58 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 -2.92 4.16 0.51 1.55 1.01 -0.14 -5.03 120.40 119.55 3d23 s VAL 61 Ca 0.16 1.51 0.01 0.00 0.00 0.00 0.00 61.98 63.67 3d23 s VAL 61 Cb 0.19 -3.97 -0.01 0.00 0.00 0.00 0.00 36.38 32.59 3d23 s VAL 61 CO 0.53 0.03 0.01 0.42 0.00 0.00 0.00 175.10 176.10 3d23 s THR 62 N 1.90 1.08 -0.04 3.92 -4.23 -1.26 -5.04 115.64 111.97 3d23 s THR 62 Ca 0.57 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.84 3d23 s THR 62 Cb -0.26 -2.14 -0.19 0.00 1.34 0.00 0.00 72.50 71.24 3d23 s THR 62 CO 0.24 0.00 1.09 0.25 -0.54 0.00 0.00 174.62 175.67 3d23 h LEU 63 N 1.37 -0.08 -0.20 4.79 5.85 -1.96 -3.05 115.31 122.02 3d23 h LEU 63 Ca -0.43 -0.48 0.00 0.00 0.84 0.00 0.00 57.88 57.81 3d23 h LEU 63 Cb 1.32 0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.37 3d23 h LEU 63 CO 0.72 0.47 0.00 0.61 -0.34 0.00 0.00 178.44 179.91 3d23 n GLY 64 N 0.45 -0.73 0.23 3.75 0.00 -1.26 -3.20 105.19 104.43 3d23 n GLY 64 Ca -0.08 -0.05 0.16 0.00 0.00 0.00 0.00 46.02 46.04 3d23 n GLY 64 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3d23 h ASP 65 N 0.29 0.00 -3.32 1.61 3.32 -1.94 -3.43 116.42 112.95 3d23 h ASP 65 Ca 0.00 0.00 -0.60 0.00 0.02 0.00 0.00 57.03 56.45 3d23 h ASP 65 Cb 0.08 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.51 3d23 h ASP 65 CO 0.00 0.00 -0.40 -0.36 -1.72 0.00 0.00 179.24 176.76 3d23 s PHE 66 N -3.60 3.42 -0.20 4.55 0.08 -1.20 -4.36 117.98 116.67 3d23 s PHE 66 Ca 0.01 0.46 -0.04 0.00 0.12 0.00 0.00 56.93 57.48 3d23 s PHE 66 Cb 0.09 -2.27 -0.02 0.00 -0.57 0.00 0.00 43.02 40.25 3d23 s PHE 66 CO 0.47 0.23 -0.03 0.99 -0.10 0.00 0.00 175.22 176.78 3d23 s THR 67 N 0.53 3.66 -0.17 0.64 2.01 -0.77 -4.83 115.64 116.70 3d23 s THR 67 Ca 0.12 -0.41 0.01 0.00 0.31 0.00 0.00 61.69 61.72 3d23 s THR 67 Cb -0.12 -2.65 0.03 0.00 0.01 0.00 0.00 72.50 69.77 3d23 s THR 67 CO 0.02 0.44 -0.13 -0.63 -0.69 0.00 0.00 174.62 173.63 3d23 s ILE 68 N 1.09 1.59 -0.13 1.82 1.01 -1.26 -0.17 121.20 125.16 3d23 s ILE 68 Ca 0.02 -0.77 -0.02 0.00 0.00 0.00 0.00 60.65 59.88 3d23 s ILE 68 Cb -0.15 -1.56 -0.02 0.00 0.01 0.00 0.00 42.46 40.74 3d23 s ILE 68 CO 0.00 0.35 -0.07 -0.04 0.00 0.00 0.00 174.94 175.18 3d23 s MET 69 N 1.46 3.43 -0.40 2.79 -1.94 0.34 -0.41 119.30 124.57 3d23 s MET 69 Ca 0.03 -0.57 -0.06 0.00 -1.71 0.00 0.00 55.69 53.38 3d23 s MET 69 Cb -0.14 -2.78 0.09 0.00 2.01 0.00 0.00 34.83 34.01 3d23 s MET 69 CO -0.10 0.31 0.20 0.45 -0.01 0.00 0.00 175.02 175.87 3d23 s SER 70 N 0.15 5.37 1.77 3.03 0.15 -0.30 -0.59 113.70 123.28 3d23 s SER 70 Ca -0.03 -1.68 0.00 0.00 0.70 0.00 0.00 55.95 54.94 3d23 s SER 70 Cb -0.14 -1.88 0.00 0.00 -1.71 0.00 0.00 66.02 62.29 3d23 s SER 70 CO 0.03 -0.50 0.00 0.61 1.20 0.00 0.00 173.24 174.58 3d23 n GLY 71 N 4.75 3.91 0.45 9.45 0.00 -1.26 -1.44 105.19 121.05 3d23 n GLY 71 Ca -0.08 0.20 0.11 0.00 0.00 0.00 0.00 46.02 46.26 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 12.79 1.11 -3.07 1.61 -4.01 -1.26 -4.93 116.66 118.89 3d23 n ARG 72 Ca 0.00 -0.90 -0.40 0.00 -1.04 0.00 0.00 57.85 55.51 3d23 n ARG 72 Cb 0.00 -1.48 -0.06 0.00 -3.04 0.00 0.00 32.46 27.88 3d23 n ARG 72 CO 0.00 0.00 0.00 1.41 -3.04 0.00 0.00 177.63 176.00 3d23 s MET 73 N -2.51 4.21 -0.21 2.89 1.75 -0.52 -5.04 119.30 119.87 3d23 s MET 73 Ca 0.18 0.68 -0.20 0.00 -1.25 0.00 0.00 55.69 55.10 3d23 s MET 73 Cb 0.18 -3.59 -0.02 0.00 2.84 0.00 0.00 34.83 34.24 3d23 s MET 73 CO 0.59 -0.28 0.61 0.45 -0.65 0.00 0.00 175.02 175.73 3d23 s SER 74 N 1.23 6.63 0.09 1.11 0.15 -1.26 -1.15 113.70 120.49 3d23 s SER 74 Ca 0.30 0.77 -0.15 0.00 0.70 0.00 0.00 55.95 57.56 3d23 s SER 74 Cb -0.16 -2.33 -0.06 0.00 -1.71 0.00 0.00 66.02 61.75 3d23 s SER 74 CO 0.10 -0.28 0.51 -0.76 1.20 0.00 0.00 173.24 174.01 3d23 s LEU 75 N 2.01 4.43 -0.22 3.45 1.43 0.45 -5.01 118.68 125.21 3d23 s LEU 75 Ca 0.27 1.08 -0.13 0.00 -1.03 0.00 0.00 54.13 54.32 3d23 s LEU 75 Cb -0.16 -2.98 -0.05 0.00 0.03 0.00 0.00 46.19 43.04 3d23 s LEU 75 CO 0.10 0.21 0.25 0.42 0.23 0.00 0.00 176.35 177.56 3d23 s THR 76 N -1.27 5.30 0.05 5.49 -4.23 -1.26 -4.28 115.64 115.44 3d23 s THR 76 Ca 0.32 0.39 -0.26 0.00 -1.18 0.00 0.00 61.69 60.95 3d23 s THR 76 Cb -0.17 -3.59 -0.05 0.00 1.34 0.00 0.00 72.50 70.03 3d23 s THR 76 CO 0.18 0.31 0.81 0.54 -0.54 0.00 0.00 174.62 175.92 3d23 s VAL 77 N 1.13 4.71 -0.05 2.29 0.11 -1.26 0.05 120.40 127.38 3d23 s VAL 77 Ca 0.12 1.73 0.09 0.00 -2.93 0.00 0.00 61.98 60.99 3d23 s VAL 77 Cb -0.14 -4.16 -0.13 0.00 -1.53 0.00 0.00 36.38 30.42 3d23 s VAL 77 CO 0.06 0.34 0.13 0.52 -3.33 0.00 0.00 175.10 172.82 3d23 n VAL 78 N 2.90 0.26 -3.52 2.04 0.31 0.11 -4.91 118.33 115.53 3d23 n VAL 78 Ca -0.01 -0.29 -0.17 0.00 -0.01 0.00 0.00 64.34 63.87 3d23 n VAL 78 Cb 0.50 -0.17 -0.05 0.00 -0.91 0.00 0.00 33.84 33.21 3d23 n VAL 78 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3d23 s SER 79 N -3.53 -0.61 -0.03 4.52 1.04 -1.03 -4.96 113.70 109.09 3d23 s SER 79 Ca -0.04 0.55 0.06 0.00 0.48 0.00 0.00 55.95 56.99 3d23 s SER 79 Cb 0.05 0.54 -0.01 0.00 0.10 0.00 0.00 66.02 66.69 3d23 s SER 79 CO 0.38 -0.67 -0.20 -0.72 0.98 0.00 0.00 173.24 173.01 3d23 s TYR 80 N -1.69 1.87 0.02 5.02 1.13 -1.26 0.11 117.35 122.54 3d23 s TYR 80 Ca -0.09 -0.43 -0.01 0.00 -1.41 0.00 0.00 57.07 55.13 3d23 s TYR 80 Cb -0.00 -1.22 -0.02 0.00 -1.10 0.00 0.00 41.96 39.62 3d23 s TYR 80 CO 0.05 -0.09 0.00 1.14 -2.51 0.00 0.00 175.55 174.15 3d23 s GLN 81 N -0.29 0.34 -0.11 -3.49 -2.07 -0.60 -5.01 119.66 108.43 3d23 s GLN 81 Ca 0.03 -0.55 -0.19 0.00 -1.82 0.00 0.00 55.36 52.83 3d23 s GLN 81 Cb -0.10 0.13 -0.04 0.00 -1.09 0.00 0.00 33.01 31.91 3d23 s GLN 81 CO 0.01 -0.06 0.52 1.41 -1.32 0.00 0.00 175.29 175.84 3d23 s MET 82 N -1.41 4.36 -0.22 9.60 -2.45 -1.26 -1.33 119.30 126.59 3d23 s MET 82 Ca -0.15 0.53 -0.02 0.00 -1.25 0.00 0.00 55.69 54.80 3d23 s MET 82 Cb -0.09 -3.44 0.06 0.00 1.25 0.00 0.00 34.83 32.61 3d23 s MET 82 CO -0.00 0.14 0.02 -1.14 1.05 0.00 0.00 175.02 175.08 3d23 s GLN 83 N 0.67 0.90 7.95 4.11 0.74 0.11 -4.98 119.66 129.16 3d23 s GLN 83 Ca 0.28 -0.63 0.00 0.00 0.05 0.00 0.00 55.36 55.06 3d23 s GLN 83 Cb -0.16 -2.22 0.00 0.00 1.10 0.00 0.00 33.01 31.73 3d23 s GLN 83 CO 0.12 -0.66 0.00 0.41 -0.55 0.00 0.00 175.29 174.60 3d23 n GLY 84 N 4.94 3.87 1.92 2.59 0.00 -1.26 -2.37 105.19 114.87 3d23 n GLY 84 Ca -0.09 -0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.34 0.76 -0.10 0.00 -2.07 -1.00 -1.72 119.66 112.19 3d23 s GLN 86 Ca 0.54 -1.11 -0.05 0.00 -1.82 0.00 0.00 55.36 52.91 3d23 s GLN 86 Cb 0.46 -0.37 -0.04 0.00 -1.09 0.00 0.00 33.01 31.97 3d23 s GLN 86 CO 0.06 0.04 0.10 -0.51 -1.32 0.00 0.00 175.29 173.67 3d23 s LEU 87 N -2.41 4.16 -0.32 2.60 1.43 -0.11 -0.71 118.68 123.31 3d23 s LEU 87 Ca 0.04 0.36 -0.07 0.00 -1.03 0.00 0.00 54.13 53.43 3d23 s LEU 87 Cb -0.02 -2.04 0.03 0.00 0.03 0.00 0.00 46.19 44.18 3d23 s LEU 87 CO -0.01 0.39 0.09 -0.69 0.23 0.00 0.00 176.35 176.35 3d23 s VAL 88 N -1.02 3.85 -0.40 -1.59 1.01 -0.44 -2.47 120.40 119.35 3d23 s VAL 88 Ca 0.16 -0.93 -0.12 0.00 0.00 0.00 0.00 61.98 61.08 3d23 s VAL 88 Cb -0.12 -3.09 0.04 0.00 0.00 0.00 0.00 36.38 33.21 3d23 s VAL 88 CO 0.05 -0.06 0.25 -0.76 0.00 0.00 0.00 175.10 174.58 3d23 s LEU 89 N 1.45 4.94 0.23 3.92 1.43 0.11 -1.56 118.68 129.20 3d23 s LEU 89 Ca 0.00 -1.07 -0.30 0.00 -1.03 0.00 0.00 54.13 51.73 3d23 s LEU 89 Cb -0.18 -2.06 -0.09 0.00 0.03 0.00 0.00 46.19 43.89 3d23 s LEU 89 CO 0.03 -0.44 0.98 -0.89 0.23 0.00 0.00 176.35 176.26 3d23 s THR 90 N 1.57 3.99 0.43 5.49 2.01 0.12 -0.97 115.64 128.27 3d23 s THR 90 Ca 0.03 1.94 0.04 0.00 0.31 0.00 0.00 61.69 64.00 3d23 s THR 90 Cb -0.20 -4.24 -0.04 0.00 0.01 0.00 0.00 72.50 68.03 3d23 s THR 90 CO 0.07 0.44 0.04 0.68 -0.69 0.00 0.00 174.62 175.16 3d23 s VAL 91 N -0.98 1.24 -0.99 3.82 -7.23 0.06 0.08 120.40 116.39 3d23 s VAL 91 Ca 0.43 -2.00 0.28 0.00 -1.81 0.00 0.00 61.98 58.88 3d23 s VAL 91 Cb -0.27 -2.52 0.19 0.00 0.56 0.00 0.00 36.38 34.35 3d23 s VAL 91 CO 0.34 0.00 1.82 -1.54 -0.31 0.00 0.00 175.10 175.41 3d23 n SER 92 N -1.10 0.13 -4.18 4.85 3.41 0.11 -4.74 113.62 112.10 3d23 n SER 92 Ca -0.10 0.35 -0.27 0.00 -0.26 0.00 0.00 58.87 58.60 3d23 n SER 92 Cb 0.66 -0.36 -0.16 0.00 -0.26 0.00 0.00 64.21 64.10 3d23 n SER 92 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3d23 s LEU 93 N -3.07 1.99 -0.07 1.04 2.96 -1.26 -5.06 118.68 115.22 3d23 s LEU 93 Ca 0.13 -0.37 -0.26 0.00 -0.22 0.00 0.00 54.13 53.41 3d23 s LEU 93 Cb 0.18 -1.02 -0.03 0.00 0.50 0.00 0.00 46.19 45.82 3d23 s LEU 93 CO 0.57 0.21 0.83 -1.58 -1.32 0.00 0.00 176.35 175.05 3d23 s GLN 94 N -0.24 4.45 -0.35 1.98 2.00 -1.26 -4.21 119.66 122.03 3d23 s GLN 94 Ca 0.02 1.10 -0.29 0.00 -2.00 0.00 0.00 55.36 54.19 3d23 s GLN 94 Cb -0.10 -3.48 -0.00 0.00 0.80 0.00 0.00 33.01 30.23 3d23 s GLN 94 CO 0.01 -0.06 1.47 1.21 -0.50 0.00 0.00 175.29 177.41 3d23 s ASN 95 N 0.94 6.36 0.23 6.67 3.04 -0.76 -4.85 114.94 126.58 3d23 s ASN 95 Ca 0.43 1.10 0.21 0.00 0.04 0.00 0.00 52.86 54.63 3d23 s ASN 95 Cb -0.19 -2.54 0.93 0.00 -1.54 0.00 0.00 41.25 37.92 3d23 s ASN 95 CO 0.20 -1.36 1.64 -0.81 -3.04 0.00 0.00 177.10 173.73 3d23 n PRO 96 N 7.89 0.15 -0.18 0.43 -0.04 -1.26 -1.92 135.00 140.07 3d23 n PRO 96 Ca 0.17 0.45 0.09 0.00 -0.04 0.00 0.00 63.50 64.17 3d23 n PRO 96 Cb 0.47 -1.83 0.26 0.00 -0.04 0.00 0.00 33.50 32.36 3d23 n PRO 96 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3d23 n TYR 97 N -2.12 0.48 -1.67 0.54 4.01 -1.26 -4.96 117.16 112.17 3d23 n TYR 97 Ca 0.01 -0.24 -0.48 0.00 -0.16 0.00 0.00 57.90 57.04 3d23 n TYR 97 Cb 0.17 0.00 -0.05 0.00 -0.31 0.00 0.00 39.34 39.15 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 0.77 0.20 -2.53 -0.72 -1.04 -0.81 -4.93 114.28 105.22 3d23 n THR 98 Ca 0.16 -0.04 -0.27 0.00 -2.04 0.00 0.00 64.05 61.86 3d23 n THR 98 Cb 0.40 -1.58 0.01 0.00 -1.82 0.00 0.00 70.33 67.34 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 1.97 3.40 -0.30 -2.82 0.04 -1.26 -5.01 135.00 131.01 3d23 s PRO 99 Ca 0.84 0.19 -0.42 0.00 0.04 0.00 0.00 61.00 61.65 3d23 s PRO 99 Cb -0.72 -2.33 -0.19 0.00 0.04 0.00 0.00 34.50 31.30 3d23 s PRO 99 CO 0.44 -0.35 1.33 1.63 0.04 0.00 0.00 177.00 180.09 3d23 n LYS 100 N -2.37 0.00 -3.98 4.56 4.76 -1.26 -4.93 118.16 114.93 3d23 n LYS 100 Ca 0.02 0.00 -0.09 0.00 -2.87 0.00 0.00 58.31 55.37 3d23 n LYS 100 Cb 0.56 -1.41 -0.05 0.00 -1.84 0.00 0.00 35.03 32.29 3d23 n LYS 100 CO 0.00 0.00 0.00 1.52 -1.37 0.00 0.00 177.40 177.55 3d23 s TYR 101 N 1.82 0.32 0.11 2.13 1.13 -1.26 -1.28 117.35 120.32 3d23 s TYR 101 Ca 0.94 -0.69 -0.03 0.00 -1.41 0.00 0.00 57.07 55.89 3d23 s TYR 101 Cb -1.33 0.21 -0.03 0.00 -1.10 0.00 0.00 41.96 39.71 3d23 s TYR 101 CO 0.69 -0.99 0.07 0.95 -2.51 0.00 0.00 175.55 173.76 3d23 s THR 102 N -4.01 0.14 -0.13 -3.49 -4.23 0.38 -4.91 115.64 99.38 3d23 s THR 102 Ca 0.21 -1.75 -0.06 0.00 -1.18 0.00 0.00 61.69 58.91 3d23 s THR 102 Cb -0.01 -1.80 -0.04 0.00 1.34 0.00 0.00 72.50 71.99 3d23 s THR 102 CO 0.08 -0.62 0.08 -0.36 -0.54 0.00 0.00 174.62 173.26 3d23 s PHE 103 N -3.98 3.36 0.00 3.99 0.08 -1.26 -1.20 117.98 118.97 3d23 s PHE 103 Ca 0.16 0.29 0.00 0.00 0.12 0.00 0.00 56.93 57.50 3d23 s PHE 103 Cb 0.07 -1.95 0.00 0.00 -0.57 0.00 0.00 43.02 40.57 3d23 s PHE 103 CO -0.03 0.46 0.00 0.41 -0.10 0.00 0.00 175.22 175.96 3d23 n GLY 104 N 2.58 3.59 3.24 4.36 0.00 -0.71 -4.93 105.19 113.32 3d23 n GLY 104 Ca -0.18 -1.40 -0.20 0.00 0.00 0.00 0.00 46.02 44.24 3d23 n GLY 104 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3d23 s ASN 105 N -0.52 2.07 -0.14 1.61 0.01 -1.26 -4.38 114.94 112.32 3d23 s ASN 105 Ca 0.00 -0.72 -0.01 0.00 -0.71 0.00 0.00 52.86 51.42 3d23 s ASN 105 Cb 0.00 -0.09 -0.01 0.00 0.41 0.00 0.00 41.25 41.56 3d23 s ASN 105 CO 0.00 -0.07 -0.11 -0.69 -1.51 0.00 0.00 177.10 174.72 3d23 s VAL 106 N -1.62 3.14 0.49 1.60 1.01 -1.26 -5.06 120.40 118.69 3d23 s VAL 106 Ca 0.05 -0.62 -0.17 0.00 0.00 0.00 0.00 61.98 61.24 3d23 s VAL 106 Cb -0.08 -2.34 -0.09 0.00 0.00 0.00 0.00 36.38 33.88 3d23 s VAL 106 CO 0.03 0.51 0.96 -0.54 0.00 0.00 0.00 175.10 176.07 3d23 s LYS 107 N 0.51 4.00 0.43 2.72 -0.14 -1.26 -5.00 119.74 121.00 3d23 s LYS 107 Ca -0.08 0.96 -0.24 0.00 -1.36 0.00 0.00 55.97 55.26 3d23 s LYS 107 Cb -0.15 -2.16 -0.11 0.00 -1.68 0.00 0.00 37.83 33.73 3d23 s LYS 107 CO 0.04 -0.20 0.92 -2.30 -0.76 0.00 0.00 175.35 173.05 3d23 n PRO 108 N -1.35 1.17 0.00 -1.68 -0.02 -1.26 -1.62 135.00 130.25 3d23 n PRO 108 Ca 0.06 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 3d23 n PRO 108 Cb 0.54 -1.94 0.00 0.00 -0.02 0.00 0.00 33.50 32.08 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 1.30 2.60 3.77 -1.23 0.00 0.20 -4.96 105.19 106.86 3d23 n GLY 109 Ca 0.10 -0.17 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 3.64 0.23 1.61 2.02 -0.64 -4.55 118.70 121.02 3d23 s GLU 110 Ca 0.00 1.86 0.09 0.00 0.02 0.00 0.00 54.97 56.95 3d23 s GLU 110 Cb 0.00 -2.38 -0.04 0.00 0.10 0.00 0.00 34.13 31.80 3d23 s GLU 110 CO 0.00 -0.67 -0.04 0.95 0.02 0.00 0.00 175.26 175.52 3d23 s THR 111 N -1.50 3.35 0.34 3.63 -4.23 -1.26 -0.83 115.64 115.14 3d23 s THR 111 Ca 0.65 -1.83 -0.17 0.00 -1.18 0.00 0.00 61.69 59.16 3d23 s THR 111 Cb -0.31 -2.74 0.04 0.00 1.34 0.00 0.00 72.50 70.83 3d23 s THR 111 CO 0.37 -0.28 0.75 0.72 -0.54 0.00 0.00 174.62 175.64 3d23 s PHE 112 N -2.11 0.05 -0.07 3.99 -0.12 -0.90 -4.94 117.98 113.88 3d23 s PHE 112 Ca 0.29 -0.62 -0.09 0.00 -0.05 0.00 0.00 56.93 56.46 3d23 s PHE 112 Cb -0.07 0.74 -0.04 0.00 -0.63 0.00 0.00 43.02 43.02 3d23 s PHE 112 CO 0.18 -1.42 0.22 0.99 -0.05 0.00 0.00 175.22 175.14 3d23 s THR 113 N -2.97 5.37 -0.14 -4.49 2.01 -0.06 -1.91 115.64 113.45 3d23 s THR 113 Ca 0.15 0.34 -0.04 0.00 0.31 0.00 0.00 61.69 62.44 3d23 s THR 113 Cb -0.05 -3.50 -0.03 0.00 0.01 0.00 0.00 72.50 68.93 3d23 s THR 113 CO 0.10 0.57 0.00 -0.69 -0.69 0.00 0.00 174.62 173.91 3d23 s VAL 114 N -1.09 4.28 -0.50 3.82 1.01 0.17 -0.47 120.40 127.62 3d23 s VAL 114 Ca 0.19 -0.23 -0.13 0.00 0.00 0.00 0.00 61.98 61.81 3d23 s VAL 114 Cb -0.13 -2.87 0.12 0.00 0.00 0.00 0.00 36.38 33.50 3d23 s VAL 114 CO 0.08 0.52 0.42 -0.22 0.00 0.00 0.00 175.10 175.90 3d23 s LEU 115 N -0.01 5.88 0.06 3.92 2.96 -0.09 -1.54 118.68 129.86 3d23 s LEU 115 Ca 0.03 -1.75 -0.30 0.00 -0.22 0.00 0.00 54.13 51.88 3d23 s LEU 115 Cb -0.13 -2.12 -0.05 0.00 0.50 0.00 0.00 46.19 44.39 3d23 s LEU 115 CO 0.02 -0.76 1.08 0.00 -1.32 0.00 0.00 176.35 175.37 3d23 s ALA 116 N 1.51 3.29 0.06 5.97 0.00 -0.19 -3.44 121.76 128.96 3d23 s ALA 116 Ca 0.04 0.70 0.03 0.00 0.00 0.00 0.00 51.96 52.73 3d23 s ALA 116 Cb -0.28 -3.37 -0.03 0.00 0.00 0.00 0.00 23.12 19.44 3d23 s ALA 116 CO 0.02 -0.28 -0.09 0.00 0.00 0.00 0.00 175.76 175.41 3d23 s ALA 117 N 0.72 0.75 -0.05 0.00 0.00 -1.26 0.61 121.76 122.52 3d23 s ALA 117 Ca 0.54 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.61 3d23 s ALA 117 Cb -0.26 0.03 0.02 0.00 0.00 0.00 0.00 23.12 22.92 3d23 s ALA 117 CO 0.30 -0.01 -0.04 0.71 0.00 0.00 0.00 175.76 176.71 3d23 s TYR 118 N -1.67 0.81 -1.88 0.00 2.02 -0.58 -4.21 117.35 111.84 3d23 s TYR 118 Ca -0.05 -0.24 0.00 0.00 -0.37 0.00 0.00 57.07 56.40 3d23 s TYR 118 Cb -0.08 -0.73 0.00 0.00 -0.40 0.00 0.00 41.96 40.75 3d23 s TYR 118 CO 0.00 -0.23 0.00 0.09 -1.57 0.00 0.00 175.55 173.84 3d23 n ASN 119 N 4.24 -5.47 0.00 2.29 3.02 -1.26 -1.22 115.26 116.87 3d23 n ASN 119 Ca -0.21 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.57 3d23 n ASN 119 Cb 0.51 -4.60 0.00 0.00 -0.61 0.00 0.00 39.78 35.07 3d23 n ASN 119 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3d23 n GLY 120 N -0.79 1.12 3.33 7.41 0.00 -1.26 -4.49 105.19 110.50 3d23 n GLY 120 Ca -0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.58 3.01 0.44 1.61 3.52 -0.35 -4.35 118.95 122.25 3d23 s ARG 121 Ca 0.00 -0.91 -0.26 0.00 -0.13 0.00 0.00 55.73 54.43 3d23 s ARG 121 Cb 0.00 -3.39 -0.09 0.00 -1.56 0.00 0.00 34.95 29.92 3d23 s ARG 121 CO 0.00 -0.48 1.44 -2.30 -0.81 0.00 0.00 175.30 173.15 3d23 n PRO 122 N 4.86 2.31 -0.00 5.12 -0.02 -1.26 -1.52 135.00 144.48 3d23 n PRO 122 Ca -0.14 0.82 -0.00 0.00 -2.02 0.00 0.00 63.50 62.16 3d23 n PRO 122 Cb 0.47 -2.64 -0.00 0.00 -0.02 0.00 0.00 33.50 31.31 3d23 n PRO 122 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3d23 n GLN 123 N -0.12 2.82 -3.60 -0.52 10.64 0.20 -4.90 117.38 121.89 3d23 n GLN 123 Ca 0.05 0.00 -0.03 0.00 -1.83 0.00 0.00 57.00 55.19 3d23 n GLN 123 Cb 0.41 -1.01 -0.02 0.00 -0.86 0.00 0.00 30.24 28.77 3d23 n GLN 123 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.06 175.43 3d23 s GLY 124 N -3.33 -0.34 0.14 2.61 0.00 -1.19 -5.02 107.32 100.20 3d23 s GLY 124 Ca -0.00 1.26 0.09 0.00 0.00 0.00 0.00 44.72 46.07 3d23 s GLY 124 CO 0.01 0.38 -0.22 0.00 0.00 0.00 0.00 173.10 173.28 3d23 s ALA 125 N -2.48 2.07 -0.01 3.20 0.00 -1.26 -1.02 121.76 122.27 3d23 s ALA 125 Ca 0.11 -1.42 -0.14 0.00 0.00 0.00 0.00 51.96 50.51 3d23 s ALA 125 Cb 0.01 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.89 3d23 s ALA 125 CO -0.04 0.36 0.29 -0.59 0.00 0.00 0.00 175.76 175.78 3d23 s PHE 126 N -1.49 -0.15 0.25 0.00 -0.71 -0.59 -4.97 117.98 110.31 3d23 s PHE 126 Ca 0.13 0.19 -0.30 0.00 -1.04 0.00 0.00 56.93 55.91 3d23 s PHE 126 Cb -0.08 0.08 -0.09 0.00 -1.21 0.00 0.00 43.02 41.72 3d23 s PHE 126 CO 0.06 -0.40 0.98 -1.58 -1.34 0.00 0.00 175.22 172.94 3d23 s HIS 127 N -1.50 3.88 0.02 3.49 5.65 -1.26 -0.65 115.29 124.92 3d23 s HIS 127 Ca -0.13 1.86 -0.07 0.00 0.25 0.00 0.00 55.06 56.98 3d23 s HIS 127 Cb -0.05 -3.06 -0.00 0.00 -1.18 0.00 0.00 32.58 28.29 3d23 s HIS 127 CO 0.03 0.20 0.13 0.14 -0.65 0.00 0.00 174.74 174.60 3d23 s VAL 128 N -1.19 0.11 -0.19 0.89 -7.23 -0.80 -4.94 120.40 107.05 3d23 s VAL 128 Ca 0.42 -0.88 -0.06 0.00 -1.81 0.00 0.00 61.98 59.65 3d23 s VAL 128 Cb -0.27 -0.70 -0.03 0.00 0.56 0.00 0.00 36.38 35.94 3d23 s VAL 128 CO 0.34 -0.49 0.02 -0.89 -0.31 0.00 0.00 175.10 173.77 3d23 s THR 129 N -2.08 4.21 0.12 5.32 2.01 -1.26 -2.13 115.64 121.83 3d23 s THR 129 Ca -0.09 -0.23 -0.31 0.00 0.31 0.00 0.00 61.69 61.36 3d23 s THR 129 Cb -0.04 -2.89 -0.10 0.00 0.01 0.00 0.00 72.50 69.48 3d23 s THR 129 CO -0.02 0.44 1.71 -0.32 -0.69 0.00 0.00 174.62 175.74 3d23 s MET 130 N 0.73 4.17 0.56 4.92 1.75 -0.01 -4.56 119.30 126.86 3d23 s MET 130 Ca 0.01 2.47 -0.03 0.00 -1.25 0.00 0.00 55.69 56.89 3d23 s MET 130 Cb -0.14 -3.44 0.02 0.00 2.84 0.00 0.00 34.83 34.11 3d23 s MET 130 CO 0.02 -0.75 0.82 1.03 -0.65 0.00 0.00 175.02 175.49 3d23 s ARG 131 N 2.20 2.76 0.53 4.11 1.81 0.03 0.58 118.95 130.97 3d23 s ARG 131 Ca 0.76 -0.36 0.21 0.00 -1.72 0.00 0.00 55.73 54.62 3d23 s ARG 131 Cb -0.44 -2.39 1.37 0.00 -0.45 0.00 0.00 34.95 33.04 3d23 s ARG 131 CO 0.33 -0.66 2.09 0.77 -0.68 0.00 0.00 175.30 177.16 3d23 h SER 132 N -0.02 0.00 0.45 0.23 0.02 -1.87 0.14 113.55 112.49 3d23 h SER 132 Ca -0.45 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 3d23 h SER 132 Cb 1.27 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.81 3d23 h SER 132 CO 0.58 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 174.73 3d23 n SER 133 N -4.40 0.24 -1.89 3.07 3.41 -1.26 -4.84 113.62 107.95 3d23 n SER 133 Ca 0.02 0.57 -0.13 0.00 -0.26 0.00 0.00 58.87 59.07 3d23 n SER 133 Cb 0.29 -0.62 0.03 0.00 -0.26 0.00 0.00 64.21 63.65 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 -1.78 -1.22 -4.39 7.33 4.02 0.49 -4.53 117.16 117.08 3d23 n TYR 134 Ca 0.02 0.36 -0.20 0.00 -0.01 0.00 0.00 57.90 58.08 3d23 n TYR 134 Cb 0.15 -3.03 -0.10 0.00 -0.02 0.00 0.00 39.34 36.34 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 -2.96 1.24 0.19 -0.72 -4.23 -1.26 -4.56 115.64 103.33 3d23 s THR 135 Ca 0.21 -2.05 0.05 0.00 -1.18 0.00 0.00 61.69 58.72 3d23 s THR 135 Cb -0.09 -2.52 -0.05 0.00 1.34 0.00 0.00 72.50 71.18 3d23 s THR 135 CO 0.26 -0.21 -0.08 0.27 -0.54 0.00 0.00 174.62 174.32 3d23 s ILE 136 N -3.28 1.25 -0.71 2.99 -4.36 0.13 -0.79 121.20 116.44 3d23 s ILE 136 Ca 0.32 -2.08 -0.10 0.00 -0.26 0.00 0.00 60.65 58.52 3d23 s ILE 136 Cb 0.06 -2.06 0.19 0.00 1.25 0.00 0.00 42.46 41.90 3d23 s ILE 136 CO 0.12 -0.57 0.61 -0.54 0.24 0.00 0.00 174.94 174.80 3d23 s LYS 137 N -3.76 3.15 0.00 0.37 3.01 -1.26 -0.54 119.74 120.70 3d23 s LYS 137 Ca 0.22 -2.37 0.00 0.00 -1.01 0.00 0.00 55.97 52.81 3d23 s LYS 137 Cb 0.03 -4.16 0.00 0.00 -1.01 0.00 0.00 37.83 32.69 3d23 s LYS 137 CO 0.05 -1.25 0.00 0.41 0.51 0.00 0.00 175.35 175.07 3d23 n GLY 138 N 3.99 4.38 2.69 -3.33 0.00 -1.26 -4.91 105.19 106.75 3d23 n GLY 138 Ca 0.08 -2.03 -0.20 0.00 0.00 0.00 0.00 46.02 43.87 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 -0.17 1.90 -0.04 1.61 0.15 -1.26 -4.89 113.70 111.00 3d23 s SER 139 Ca 0.00 -1.34 0.01 0.00 0.70 0.00 0.00 55.95 55.32 3d23 s SER 139 Cb 0.00 0.29 0.02 0.00 -1.71 0.00 0.00 66.02 64.63 3d23 s SER 139 CO 0.00 -0.34 -0.03 -0.36 1.20 0.00 0.00 173.24 173.72 3d23 s PHE 140 N 1.79 0.60 0.19 3.44 0.08 -1.26 -5.02 117.98 117.81 3d23 s PHE 140 Ca 0.13 -0.13 0.02 0.00 0.12 0.00 0.00 56.93 57.07 3d23 s PHE 140 Cb -0.16 -0.59 0.03 0.00 -0.57 0.00 0.00 43.02 41.73 3d23 s PHE 140 CO -0.17 -0.18 0.27 1.28 -0.10 0.00 0.00 175.22 176.31 3d23 n LEU 141 N 4.15 0.00 -4.66 -0.37 4.77 -1.26 -5.04 117.00 114.60 3d23 n LEU 141 Ca -0.24 -0.76 -0.45 0.00 -0.03 0.00 0.00 56.01 54.53 3d23 n LEU 141 Cb 0.51 -0.15 -0.02 0.00 -2.33 0.00 0.00 43.42 41.42 3d23 n LEU 141 CO 0.22 -0.59 0.93 0.00 -1.33 0.00 0.00 177.39 176.62 3d23 n GLY 143 N 1.90 0.77 0.02 0.00 0.00 -1.26 -4.94 105.19 101.67 3d23 n GLY 143 Ca 0.11 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.26 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 0.29 -4.76 1.61 3.41 -1.13 -4.23 113.62 108.81 3d23 n SER 144 Ca 0.00 0.32 -0.39 0.00 -0.26 0.00 0.00 58.87 58.54 3d23 n SER 144 Cb 0.00 -0.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.62 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 2.69 3.45 0.00 0.00 0.26 -0.03 105.19 112.20 3d23 n GLY 146 Ca 0.05 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.66 3d23 n GLY 146 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3d23 n SER 147 N 0.00 -0.90 -4.32 1.61 7.64 -0.48 -4.39 113.62 112.79 3d23 n SER 147 Ca 0.00 0.88 -0.31 0.00 1.01 0.00 0.00 58.87 60.46 3d23 n SER 147 Cb 0.00 -1.12 -0.16 0.00 -1.01 0.00 0.00 64.21 61.92 3d23 n SER 147 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3d23 s VAL 148 N -1.51 2.08 0.05 0.44 -7.23 -1.22 -0.40 120.40 112.60 3d23 s VAL 148 Ca 0.64 -1.17 0.06 0.00 -1.81 0.00 0.00 61.98 59.70 3d23 s VAL 148 Cb -0.58 -1.73 -0.04 0.00 0.56 0.00 0.00 36.38 34.60 3d23 s VAL 148 CO 0.58 0.54 -0.11 -0.83 -0.31 0.00 0.00 175.10 174.96 3d23 s GLY 149 N -0.74 1.71 0.16 2.32 0.00 0.09 -0.91 107.32 109.95 3d23 s GLY 149 Ca 0.10 -1.14 -0.15 0.00 0.00 0.00 0.00 44.72 43.53 3d23 s GLY 149 CO -0.00 -1.05 0.43 -2.52 0.00 0.00 0.00 173.10 169.96 3d23 s TYR 150 N -1.05 -0.08 -0.07 1.90 1.13 0.38 -1.37 117.35 118.20 3d23 s TYR 150 Ca 0.18 -0.26 0.03 0.00 -1.41 0.00 0.00 57.07 55.61 3d23 s TYR 150 Cb -0.11 0.26 0.01 0.00 -1.10 0.00 0.00 41.96 41.02 3d23 s TYR 150 CO 0.09 -0.79 -0.16 0.08 -2.51 0.00 0.00 175.55 172.26 3d23 s VAL 151 N -3.86 1.40 0.86 -3.49 1.01 0.21 -0.88 120.40 115.64 3d23 s VAL 151 Ca 0.08 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.30 3d23 s VAL 151 Cb 0.01 -1.24 0.14 0.00 0.00 0.00 0.00 36.38 35.29 3d23 s VAL 151 CO -0.07 0.41 1.20 -0.76 0.00 0.00 0.00 175.10 175.89 3d23 s LEU 152 N 0.50 2.72 -0.36 3.92 1.02 -1.26 -0.78 118.68 124.45 3d23 s LEU 152 Ca -0.14 0.33 0.04 0.00 0.02 0.00 0.00 54.13 54.38 3d23 s LEU 152 Cb -0.16 -2.60 0.25 0.00 0.02 0.00 0.00 46.19 43.70 3d23 s LEU 152 CO 0.05 -2.26 1.24 0.41 0.02 0.00 0.00 176.35 175.82 3d23 n THR 153 N -3.41 0.00 0.00 5.49 -1.04 -1.10 -4.90 114.28 109.33 3d23 n THR 153 Ca 0.12 -0.92 0.00 0.00 -2.04 0.00 0.00 64.05 61.21 3d23 n THR 153 Cb 0.60 0.99 0.00 0.00 -1.82 0.00 0.00 70.33 70.10 3d23 n THR 153 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3d23 n GLY 154 N 0.00 0.30 0.14 3.41 0.00 -1.26 -2.74 105.19 105.05 3d23 n GLY 154 Ca -0.10 0.66 0.07 0.00 0.00 0.00 0.00 46.02 46.65 3d23 n GLY 154 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3d23 h ASP 155 N 0.00 0.00 -3.02 1.61 -0.00 -1.99 -3.47 116.42 109.55 3d23 h ASP 155 Ca 0.00 0.00 -0.66 0.00 -0.00 0.00 0.00 57.03 56.37 3d23 h ASP 155 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 39.33 39.21 3d23 h ASP 155 CO 0.00 0.24 -0.55 -0.55 -0.00 0.00 0.00 179.24 178.38 3d23 s SER 156 N -5.84 5.82 -0.20 4.15 0.15 -1.11 -4.59 113.70 112.08 3d23 s SER 156 Ca 0.01 0.27 -0.07 0.00 0.70 0.00 0.00 55.95 56.86 3d23 s SER 156 Cb 0.08 -1.82 -0.04 0.00 -1.71 0.00 0.00 66.02 62.53 3d23 s SER 156 CO 0.76 0.35 0.06 -0.69 1.20 0.00 0.00 173.24 174.93 3d23 s VAL 157 N -0.70 4.59 -0.32 4.45 1.01 -0.40 -2.69 120.40 126.33 3d23 s VAL 157 Ca 0.12 -0.10 -0.11 0.00 0.00 0.00 0.00 61.98 61.90 3d23 s VAL 157 Cb -0.12 -3.09 -0.01 0.00 0.00 0.00 0.00 36.38 33.17 3d23 s VAL 157 CO 0.03 0.42 0.18 -0.75 0.00 0.00 0.00 175.10 174.97 3d23 s LYS 158 N 0.77 3.34 -0.08 2.72 2.20 0.04 -0.47 119.74 128.25 3d23 s LYS 158 Ca 0.03 -0.72 -0.19 0.00 -0.36 0.00 0.00 55.97 54.73 3d23 s LYS 158 Cb -0.13 -3.64 -0.04 0.00 -1.51 0.00 0.00 37.83 32.50 3d23 s LYS 158 CO 0.02 -0.44 0.53 -0.06 -0.36 0.00 0.00 175.35 175.04 3d23 s PHE 159 N 1.64 3.56 0.00 4.03 0.08 -0.34 -0.62 117.98 126.33 3d23 s PHE 159 Ca 0.05 1.01 0.00 0.00 0.12 0.00 0.00 56.93 58.11 3d23 s PHE 159 Cb -0.17 -2.59 0.00 0.00 -0.57 0.00 0.00 43.02 39.68 3d23 s PHE 159 CO 0.07 0.21 0.09 1.33 -0.10 0.00 0.00 175.22 176.82 3d23 n VAL 160 N 3.44 0.00 -3.59 -0.44 0.24 -0.47 -1.74 118.33 115.76 3d23 n VAL 160 Ca -0.06 -0.15 -0.15 0.00 -2.04 0.00 0.00 64.34 61.93 3d23 n VAL 160 Cb 0.51 1.39 -0.07 0.00 -1.47 0.00 0.00 33.84 34.21 3d23 n VAL 160 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 3d23 s TYR 161 N -0.13 -0.72 -0.13 6.34 5.04 -1.01 -4.53 117.35 122.22 3d23 s TYR 161 Ca 0.00 1.57 -0.01 0.00 -2.44 0.00 0.00 57.07 56.19 3d23 s TYR 161 Cb 0.00 0.33 0.04 0.00 0.35 0.00 0.00 41.96 42.68 3d23 s TYR 161 CO 0.00 -0.45 -0.02 1.41 -1.34 0.00 0.00 175.55 175.15 3d23 s MET 162 N -0.23 0.95 0.23 4.97 -2.45 -0.00 -0.73 119.30 122.05 3d23 s MET 162 Ca -0.04 -0.21 -0.30 0.00 -1.25 0.00 0.00 55.69 53.90 3d23 s MET 162 Cb -0.03 -1.55 -0.09 0.00 1.25 0.00 0.00 34.83 34.41 3d23 s MET 162 CO 0.04 -0.40 1.12 -1.58 1.05 0.00 0.00 175.02 175.25 3d23 s HIS 163 N 1.83 3.55 0.00 4.11 2.46 0.47 -1.47 115.29 126.24 3d23 s HIS 163 Ca 0.03 1.62 0.00 0.00 0.47 0.00 0.00 55.06 57.18 3d23 s HIS 163 Cb -0.14 -3.31 0.00 0.00 -0.13 0.00 0.00 32.58 29.00 3d23 s HIS 163 CO -0.07 -0.68 0.00 1.04 -2.47 0.00 0.00 174.74 172.56 3d23 n GLN 164 N 1.77 0.22 -3.79 2.88 6.02 -1.11 -0.57 117.38 122.79 3d23 n GLN 164 Ca 0.01 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.87 3d23 n GLN 164 Cb 0.45 -0.59 -0.14 0.00 1.02 0.00 0.00 30.24 30.98 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 -2.80 1.20 -0.26 1.08 2.96 -0.47 -4.95 118.68 115.44 3d23 s LEU 165 Ca 0.00 0.17 -0.06 0.00 -0.22 0.00 0.00 54.13 54.02 3d23 s LEU 165 Cb 0.00 0.21 -0.00 0.00 0.50 0.00 0.00 46.19 46.90 3d23 s LEU 165 CO 0.00 -0.10 0.04 -0.70 -1.32 0.00 0.00 176.35 174.27 3d23 s GLU 166 N 0.71 3.26 0.19 1.98 2.12 -1.26 -0.55 118.70 125.14 3d23 s GLU 166 Ca -0.06 -0.73 -0.02 0.00 0.36 0.00 0.00 54.97 54.52 3d23 s GLU 166 Cb -0.08 -3.25 0.09 0.00 0.26 0.00 0.00 34.13 31.15 3d23 s GLU 166 CO -0.03 -0.33 1.47 -0.07 -0.54 0.00 0.00 175.26 175.77 3d23 h LEU 167 N 8.19 0.56 -7.06 2.70 -0.00 -1.05 -3.48 115.31 115.17 3d23 h LEU 167 Ca -0.35 -0.32 0.24 0.00 -0.00 0.00 0.00 57.88 57.44 3d23 h LEU 167 Cb 1.14 -0.16 -0.17 0.00 -0.00 0.00 0.00 40.66 41.47 3d23 h LEU 167 CO 0.60 1.04 0.75 -0.94 -0.00 0.00 0.00 178.44 179.89 3d23 s SER 168 N -6.95 -0.17 -0.49 -0.43 1.04 -1.24 -4.90 113.70 100.56 3d23 s SER 168 Ca -0.07 -0.04 -0.44 0.00 0.48 0.00 0.00 55.95 55.89 3d23 s SER 168 Cb 0.11 0.20 -0.19 0.00 0.10 0.00 0.00 66.02 66.24 3d23 s SER 168 CO 0.84 -0.33 2.05 0.41 0.98 0.00 0.00 173.24 177.19 3d23 n THR 169 N -0.19 0.01 -1.13 2.02 -1.04 -1.26 0.39 114.28 113.09 3d23 n THR 169 Ca -0.03 -0.01 -0.04 0.00 -2.04 0.00 0.00 64.05 61.93 3d23 n THR 169 Cb 0.60 -0.54 -0.02 0.00 -1.82 0.00 0.00 70.33 68.54 3d23 n THR 169 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3d23 n GLY 170 N 6.90 0.70 3.12 3.41 0.00 -1.26 -5.03 105.19 113.04 3d23 n GLY 170 Ca 0.51 -0.48 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 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 1.25 1.79 0.30 0.00 0.09 0.29 -0.34 115.29 118.67 3d23 s HIS 172 Ca 0.01 -0.35 -0.01 0.00 -0.00 0.00 0.00 55.06 54.71 3d23 s HIS 172 Cb -0.15 -1.12 -0.02 0.00 -0.00 0.00 0.00 32.58 31.29 3d23 s HIS 172 CO -0.09 0.02 0.35 -0.08 -0.00 0.00 0.00 174.74 174.94 3d23 s THR 173 N -0.60 0.00 0.00 1.30 -1.32 0.29 0.21 115.64 115.52 3d23 s THR 173 Ca 0.07 -1.77 0.00 0.00 -1.21 0.00 0.00 61.69 58.79 3d23 s THR 173 Cb -0.08 -2.52 0.00 0.00 -1.51 0.00 0.00 72.50 68.39 3d23 s THR 173 CO 0.00 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.02 3d23 n GLY 174 N -0.50 0.67 3.76 6.08 0.00 -1.26 -1.36 105.19 112.57 3d23 n GLY 174 Ca 0.03 -0.79 -0.22 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.13 3.65 0.21 2.61 -4.23 -0.55 -1.80 115.64 113.40 3d23 s THR 175 Ca 0.00 -1.61 -0.01 0.00 -1.18 0.00 0.00 61.69 58.89 3d23 s THR 175 Cb 0.00 -3.11 0.04 0.00 1.34 0.00 0.00 72.50 70.78 3d23 s THR 175 CO 0.00 -0.28 0.28 -0.90 -0.54 0.00 0.00 174.62 173.18 3d23 n ASP 176 N -1.13 0.25 -0.83 3.99 5.68 -0.75 -0.82 116.55 122.94 3d23 n ASP 176 Ca -0.05 -1.24 0.07 0.00 -0.50 0.00 0.00 54.79 53.07 3d23 n ASP 176 Cb 0.59 -0.20 0.20 0.00 -1.14 0.00 0.00 41.12 40.58 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 -1.97 0.60 1.19 2.11 3.72 -1.26 -0.82 117.46 121.02 3d23 n PHE 177 Ca 0.04 -0.30 0.12 0.00 -0.05 0.00 0.00 57.45 57.27 3d23 n PHE 177 Cb 0.15 0.00 0.26 0.00 -0.94 0.00 0.00 39.48 38.95 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 0.81 0.00 -0.80 4.37 -2.24 -1.26 -4.94 114.28 110.22 3d23 n THR 178 Ca 0.15 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.71 3d23 n THR 178 Cb 0.38 0.78 0.00 0.00 -2.10 0.00 0.00 70.33 69.39 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 1.34 0.71 3.32 3.38 0.00 -0.00 -4.33 105.19 109.61 3d23 n GLY 179 Ca 0.13 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.63 4.74 0.47 1.61 3.84 -1.23 0.62 114.94 122.35 3d23 s ASN 180 Ca 0.00 -0.57 -0.23 0.00 0.21 0.00 0.00 52.86 52.28 3d23 s ASN 180 Cb 0.00 -1.81 -0.09 0.00 -0.55 0.00 0.00 41.25 38.81 3d23 s ASN 180 CO 0.00 -0.11 1.07 0.49 -2.79 0.00 0.00 177.10 175.76 3d23 n PHE 181 N 4.82 1.33 -2.72 0.43 3.01 -1.26 -1.81 117.46 121.26 3d23 n PHE 181 Ca -0.16 0.51 -0.37 0.00 1.01 0.00 0.00 57.45 58.44 3d23 n PHE 181 Cb 0.49 -2.24 -0.06 0.00 -0.01 0.00 0.00 39.48 37.66 3d23 n PHE 181 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 3d23 s TYR 182 N -1.32 3.58 0.00 1.38 2.02 -0.75 -4.84 117.35 117.42 3d23 s TYR 182 Ca 0.66 1.74 0.00 0.00 -0.37 0.00 0.00 57.07 59.10 3d23 s TYR 182 Cb -0.50 -2.98 0.00 0.00 -0.40 0.00 0.00 41.96 38.08 3d23 s TYR 182 CO 0.54 -0.01 0.00 0.41 -1.57 0.00 0.00 175.55 174.93 3d23 n GLY 183 N 0.48 0.99 1.19 0.71 0.00 -1.26 -3.62 105.19 103.68 3d23 n GLY 183 Ca 0.03 -0.72 0.09 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 2.69 -1.67 1.61 -0.04 -1.26 -4.97 135.00 131.36 3d23 n PRO 184 Ca 0.00 -2.19 -0.29 0.00 -0.04 0.00 0.00 63.50 60.98 3d23 n PRO 184 Cb 0.00 -1.58 0.14 0.00 -0.04 0.00 0.00 33.50 32.02 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 -1.44 2.26 0.24 0.54 2.02 -1.24 -5.09 117.35 114.64 3d23 s TYR 185 Ca 0.40 0.68 -0.18 0.00 -0.37 0.00 0.00 57.07 57.60 3d23 s TYR 185 Cb 0.23 -3.58 0.02 0.00 -0.40 0.00 0.00 41.96 38.23 3d23 s TYR 185 CO 0.24 -2.40 0.59 -0.98 -1.57 0.00 0.00 175.55 171.42 3d23 s ARG 186 N -5.50 1.56 -1.35 -0.62 1.70 -1.26 -4.72 118.95 108.76 3d23 s ARG 186 Ca 0.66 -0.97 -0.10 0.00 -0.47 0.00 0.00 55.73 54.84 3d23 s ARG 186 Cb -0.11 0.55 0.11 0.00 -0.57 0.00 0.00 34.95 34.93 3d23 s ARG 186 CO 0.52 -0.68 2.08 -0.40 -1.08 0.00 0.00 175.30 175.74 3d23 n ASP 187 N -0.39 5.22 -3.88 -2.89 5.75 -1.26 -4.88 116.55 114.21 3d23 n ASP 187 Ca -0.06 -3.01 -0.11 0.00 -0.01 0.00 0.00 54.79 51.59 3d23 n ASP 187 Cb 0.61 -1.52 -0.12 0.00 -1.03 0.00 0.00 41.12 39.06 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 1.11 -0.15 -1.29 2.12 0.00 -1.26 -4.77 121.76 117.53 3d23 s ALA 188 Ca 0.45 -0.04 -0.09 0.00 0.00 0.00 0.00 51.96 52.27 3d23 s ALA 188 Cb 0.12 -0.01 0.16 0.00 0.00 0.00 0.00 23.12 23.39 3d23 s ALA 188 CO -0.03 -0.10 1.94 1.04 0.00 0.00 0.00 175.76 178.61 3d23 n GLN 189 N 2.37 3.68 -4.45 0.00 6.02 -0.96 -4.88 117.38 119.17 3d23 n GLN 189 Ca -0.17 -3.48 -0.23 0.00 -0.01 0.00 0.00 57.00 53.11 3d23 n GLN 189 Cb 0.58 -2.91 -0.09 0.00 1.02 0.00 0.00 30.24 28.84 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 0.34 0.63 -0.02 5.09 -7.23 -1.26 -4.30 120.40 113.65 3d23 s VAL 190 Ca 0.41 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.28 3d23 s VAL 190 Cb 0.11 -2.47 -0.07 0.00 0.56 0.00 0.00 36.38 34.50 3d23 s VAL 190 CO -0.01 0.00 1.85 -0.69 -0.31 0.00 0.00 175.10 175.94 3d23 s VAL 191 N -3.33 3.26 -0.28 1.32 1.01 -1.26 -4.93 120.40 116.19 3d23 s VAL 191 Ca 0.29 0.31 -0.01 0.00 0.00 0.00 0.00 61.98 62.57 3d23 s VAL 191 Cb 0.04 -3.21 0.09 0.00 0.00 0.00 0.00 36.38 33.30 3d23 s VAL 191 CO 0.16 -0.04 0.07 -1.10 0.00 0.00 0.00 175.10 174.19 3d23 s GLN 192 N 4.43 0.75 -0.14 2.72 -0.21 -1.26 -5.12 119.66 120.83 3d23 s GLN 192 Ca 0.83 -0.90 -0.26 0.00 0.02 0.00 0.00 55.36 55.05 3d23 s GLN 192 Cb -0.38 -2.03 -0.02 0.00 1.00 0.00 0.00 33.01 31.58 3d23 s GLN 192 CO 0.36 -0.88 0.83 -0.48 -2.12 0.00 0.00 175.29 173.00 3d23 s LEU 193 N 1.67 4.21 0.20 2.90 2.34 -1.26 -4.93 118.68 123.82 3d23 s LEU 193 Ca 0.06 1.23 -0.30 0.00 0.06 0.00 0.00 54.13 55.18 3d23 s LEU 193 Cb -0.17 -3.25 -0.09 0.00 -0.56 0.00 0.00 46.19 42.12 3d23 s LEU 193 CO -0.20 -0.35 1.29 -2.84 -1.06 0.00 0.00 176.35 173.19 3d23 s PRO 194 N 1.86 4.40 0.29 1.48 0.02 -1.26 -4.98 135.00 136.81 3d23 s PRO 194 Ca 0.40 2.04 -0.18 0.00 0.02 0.00 0.00 61.00 63.27 3d23 s PRO 194 Cb -0.17 -3.19 -0.13 0.00 0.02 0.00 0.00 34.50 31.03 3d23 s PRO 194 CO 0.15 -0.22 0.15 0.28 -0.33 0.00 0.00 177.00 177.02 3d23 n VAL 195 N 2.50 0.77 -2.26 3.83 0.31 -1.26 -4.88 118.33 117.34 3d23 n VAL 195 Ca 0.05 -0.40 -0.41 0.00 -0.01 0.00 0.00 64.34 63.57 3d23 n VAL 195 Cb 0.43 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 33.33 3d23 n VAL 195 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3d23 s LYS 196 N -0.80 4.44 -0.14 5.55 2.20 -1.26 -4.53 119.74 125.20 3d23 s LYS 196 Ca 0.48 2.03 -0.06 0.00 -0.36 0.00 0.00 55.97 58.07 3d23 s LYS 196 Cb -0.57 -3.16 -0.04 0.00 -1.51 0.00 0.00 37.83 32.55 3d23 s LYS 196 CO 0.49 -0.13 0.08 0.34 -0.36 0.00 0.00 175.35 175.77 3d23 s ASP 197 N -0.15 5.81 0.12 1.43 2.15 -1.26 -4.34 116.67 120.43 3d23 s ASP 197 Ca 0.52 0.24 0.04 0.00 0.43 0.00 0.00 52.55 53.77 3d23 s ASP 197 Cb -0.36 -1.88 -0.04 0.00 -0.30 0.00 0.00 42.92 40.34 3d23 s ASP 197 CO 0.43 0.31 0.09 -0.31 -0.17 0.00 0.00 175.17 175.51 3d23 s TYR 198 N -0.42 3.13 0.17 -5.34 2.02 -1.26 -4.94 117.35 110.71 3d23 s TYR 198 Ca 0.10 0.02 -0.32 0.00 -0.37 0.00 0.00 57.07 56.50 3d23 s TYR 198 Cb -0.12 -1.56 -0.10 0.00 -0.40 0.00 0.00 41.96 39.78 3d23 s TYR 198 CO 0.02 0.52 1.58 0.08 -1.57 0.00 0.00 175.55 176.17 3d23 s VAL 199 N -1.54 2.56 -0.47 0.71 1.01 -0.67 -4.60 120.40 117.41 3d23 s VAL 199 Ca 0.29 0.40 -0.27 0.00 0.00 0.00 0.00 61.98 62.41 3d23 s VAL 199 Cb -0.11 -3.26 0.03 0.00 0.00 0.00 0.00 36.38 33.04 3d23 s VAL 199 CO 0.22 0.03 1.03 -1.10 0.00 0.00 0.00 175.10 175.29 3d23 s GLN 200 N 1.07 3.62 -0.05 2.72 -1.52 -1.26 -1.25 119.66 122.99 3d23 s GLN 200 Ca 0.70 0.35 -0.25 0.00 -1.95 0.00 0.00 55.36 54.21 3d23 s GLN 200 Cb -0.44 -3.92 -0.20 0.00 -0.22 0.00 0.00 33.01 28.23 3d23 s GLN 200 CO 0.32 -1.32 1.05 1.15 -0.25 0.00 0.00 175.29 176.24 3d23 h THR 201 N 6.16 1.29 -0.59 -0.19 2.02 -1.89 -2.39 112.91 117.31 3d23 h THR 201 Ca -0.24 -1.36 0.10 0.00 0.77 0.00 0.00 66.41 65.68 3d23 h THR 201 Cb 1.07 2.15 -0.04 0.00 -1.74 0.00 0.00 68.15 69.59 3d23 h THR 201 CO 1.08 0.33 0.40 -0.37 0.37 0.00 0.00 175.52 177.33 3d23 h VAL 202 N -0.70 0.90 -0.39 3.16 -1.51 -1.88 -1.23 116.25 114.60 3d23 h VAL 202 Ca -0.01 -0.14 -0.13 0.00 -1.23 0.00 0.00 66.70 65.20 3d23 h VAL 202 Cb 0.59 0.46 -0.01 0.00 -2.13 0.00 0.00 31.29 30.20 3d23 h VAL 202 CO 0.01 0.07 -0.25 0.78 -1.23 0.00 0.00 177.57 176.96 3d23 h ASN 203 N 0.40 0.90 -0.96 4.19 4.21 -1.74 -0.83 115.58 121.75 3d23 h ASN 203 Ca 0.27 -0.42 -0.00 0.00 1.21 0.00 0.00 56.30 57.36 3d23 h ASN 203 Cb 0.54 -0.25 -0.05 0.00 -1.12 0.00 0.00 38.32 37.45 3d23 h ASN 203 CO -0.07 1.13 0.59 0.58 -1.29 0.00 0.00 177.43 178.36 3d23 h VAL 204 N 0.67 1.26 -0.04 2.81 2.07 -0.85 -1.26 116.25 120.91 3d23 h VAL 204 Ca 0.08 -0.54 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 3d23 h VAL 204 Cb 0.82 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 3d23 h VAL 204 CO 0.07 0.27 0.02 0.40 0.02 0.00 0.00 177.57 178.35 3d23 h ILE 205 N 1.32 1.07 -0.97 4.57 2.04 -0.85 0.32 117.51 125.00 3d23 h ILE 205 Ca 0.35 -0.19 0.17 0.00 1.00 0.00 0.00 64.86 66.18 3d23 h ILE 205 Cb -0.08 1.12 -0.09 0.00 -0.74 0.00 0.00 36.82 37.03 3d23 h ILE 205 CO -0.07 0.06 0.61 0.00 0.00 0.00 0.00 178.15 178.75 3d23 h ALA 206 N 0.94 1.76 -0.14 1.87 0.00 -0.81 -0.38 119.26 122.50 3d23 h ALA 206 Ca 0.01 0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.79 3d23 h ALA 206 Cb 0.07 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 3d23 h ALA 206 CO -0.00 -0.06 -0.63 2.35 0.00 0.00 0.00 179.25 180.91 3d23 h TRP 207 N 0.75 0.65 -0.76 0.00 7.01 -0.02 -1.70 115.95 121.88 3d23 h TRP 207 Ca 0.52 -0.26 -0.04 0.00 2.11 0.00 0.00 58.89 61.22 3d23 h TRP 207 Cb 0.81 -0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 27.72 3d23 h TRP 207 CO -0.00 1.00 0.30 -0.07 -2.79 0.00 0.00 178.44 176.88 3d23 h LEU 208 N 0.37 1.04 -0.89 0.65 4.07 0.11 -1.09 115.31 119.57 3d23 h LEU 208 Ca -0.01 -0.17 -0.09 0.00 0.08 0.00 0.00 57.88 57.68 3d23 h LEU 208 Cb 1.19 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 42.65 3d23 h LEU 208 CO 0.11 0.93 -0.18 1.88 -1.08 0.00 0.00 178.44 180.10 3d23 h TYR 209 N 1.09 0.68 -0.31 1.13 0.05 -0.98 0.56 116.97 119.20 3d23 h TYR 209 Ca 0.25 -0.13 -0.04 0.00 0.05 0.00 0.00 58.73 58.86 3d23 h TYR 209 Cb 0.21 -0.17 -0.01 0.00 1.01 0.00 0.00 36.73 37.77 3d23 h TYR 209 CO 0.02 0.76 0.04 0.00 -1.05 0.00 0.00 178.16 177.93 3d23 h ALA 210 N 1.25 0.41 -0.54 3.88 0.00 -1.08 0.63 119.26 123.81 3d23 h ALA 210 Ca 0.09 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.85 3d23 h ALA 210 Cb 0.62 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 3d23 h ALA 210 CO 0.04 0.11 0.27 0.00 0.00 0.00 0.00 179.25 179.67 3d23 h ALA 211 N 0.88 0.69 -0.44 0.00 0.00 -0.35 -0.99 119.26 119.04 3d23 h ALA 211 Ca 0.09 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3d23 h ALA 211 Cb 0.35 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3d23 h ALA 211 CO 0.01 -0.08 -0.01 0.82 0.00 0.00 0.00 179.25 179.99 3d23 h ILE 212 N 0.52 1.26 -0.99 0.00 2.04 -0.60 -1.73 117.51 118.01 3d23 h ILE 212 Ca 0.24 -1.06 0.03 0.00 1.00 0.00 0.00 64.86 65.07 3d23 h ILE 212 Cb 0.15 1.07 -0.05 0.00 -0.74 0.00 0.00 36.82 37.25 3d23 h ILE 212 CO -0.17 0.36 0.65 -0.07 0.00 0.00 0.00 178.15 178.93 3d23 h LEU 213 N 0.63 1.11 0.00 1.44 4.07 -0.46 -1.38 115.31 120.71 3d23 h LEU 213 Ca 0.12 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.07 3d23 h LEU 213 Cb 0.51 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.98 3d23 h LEU 213 CO 0.02 0.78 0.00 0.59 -1.08 0.00 0.00 178.44 178.75 3d23 n ASN 214 N -4.42 0.00 -1.86 -0.43 4.13 -0.41 -4.89 115.26 107.38 3d23 n ASN 214 Ca 0.13 -1.45 -0.07 0.00 1.68 0.00 0.00 54.58 54.87 3d23 n ASN 214 Cb 0.06 0.00 0.03 0.00 -1.54 0.00 0.00 39.78 38.33 3d23 n ASN 214 CO 0.00 0.00 0.00 -3.20 0.28 0.00 0.00 177.26 174.34 3d23 n ASN 215 N -0.61 -2.28 -3.50 6.41 5.15 -0.52 -5.02 115.26 114.89 3d23 n ASN 215 Ca 0.04 -0.23 -0.28 0.00 -0.60 0.00 0.00 54.58 53.52 3d23 n ASN 215 Cb 0.02 -2.21 -0.14 0.00 -0.53 0.00 0.00 39.78 36.92 3d23 n ASN 215 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3d23 n ALA 217 N 4.91 1.62 0.08 0.00 0.00 -1.26 -3.26 120.51 122.59 3d23 n ALA 217 Ca -0.00 -0.79 0.21 0.00 0.00 0.00 0.00 53.44 52.85 3d23 n ALA 217 Cb 0.41 -0.30 0.74 0.00 0.00 0.00 0.00 19.45 20.30 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 0.00 0.00 -0.00 0.00 5.08 -1.98 -0.18 115.95 118.87 3d23 h TRP 218 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.97 3d23 h TRP 218 Cb 1.24 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.40 3d23 h TRP 218 CO 0.06 0.00 -0.22 1.97 -1.28 0.00 0.00 178.44 178.97 3d23 n PHE 219 N -3.75 0.00 -2.48 0.12 -1.74 -1.26 -4.78 117.46 103.58 3d23 n PHE 219 Ca 0.08 0.00 -0.43 0.00 -0.56 0.00 0.00 57.45 56.54 3d23 n PHE 219 Cb 0.64 -0.35 -0.02 0.00 1.52 0.00 0.00 39.48 41.26 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 -2.92 4.33 0.49 1.97 1.01 -0.08 -4.73 120.40 120.47 3d23 s VAL 220 Ca 0.15 1.58 0.02 0.00 0.00 0.00 0.00 61.98 63.73 3d23 s VAL 220 Cb 0.19 -4.12 -0.02 0.00 0.00 0.00 0.00 36.38 32.42 3d23 s VAL 220 CO 0.59 -0.25 0.02 -1.10 0.00 0.00 0.00 175.10 174.36 3d23 s GLN 221 N 3.62 2.13 0.04 2.72 -0.21 -1.26 -5.03 119.66 121.67 3d23 s GLN 221 Ca 0.53 -2.34 0.17 0.00 0.02 0.00 0.00 55.36 53.73 3d23 s GLN 221 Cb -0.19 -1.40 0.70 0.00 1.00 0.00 0.00 33.01 33.13 3d23 s GLN 221 CO 0.15 -0.35 1.53 0.27 -2.12 0.00 0.00 175.29 174.76 3d23 n ASN 222 N -1.24 0.11 -4.93 5.90 6.94 -1.26 -4.82 115.26 115.95 3d23 n ASN 222 Ca -0.16 0.53 -0.26 0.00 -0.02 0.00 0.00 54.58 54.67 3d23 n ASN 222 Cb 0.67 -0.55 0.07 0.00 -2.36 0.00 0.00 39.78 37.60 3d23 n ASN 222 CO 0.00 0.00 0.00 1.51 -1.03 0.00 0.00 177.26 177.74 3d23 s ASP 223 N -3.20 4.84 -0.06 0.53 3.84 -1.26 -5.10 116.67 116.26 3d23 s ASP 223 Ca 0.07 0.44 -0.13 0.00 -0.00 0.00 0.00 52.55 52.93 3d23 s ASP 223 Cb 0.10 -1.10 0.03 0.00 -1.38 0.00 0.00 42.92 40.57 3d23 s ASP 223 CO 0.30 -1.58 0.30 -0.69 -0.00 0.00 0.00 175.17 173.51 3d23 s VAL 224 N -3.23 0.04 -0.04 2.11 1.01 -1.26 -4.52 120.40 114.51 3d23 s VAL 224 Ca 0.60 -0.30 -0.00 0.00 0.00 0.00 0.00 61.98 62.28 3d23 s VAL 224 Cb -0.11 -0.54 0.03 0.00 0.00 0.00 0.00 36.38 35.76 3d23 s VAL 224 CO 0.44 -0.17 0.01 0.00 0.00 0.00 0.00 175.10 175.39 3d23 s SER 226 N 1.35 3.74 0.10 0.00 1.04 -1.26 -4.47 113.70 114.20 3d23 s SER 226 Ca -0.05 1.16 -0.18 0.00 0.48 0.00 0.00 55.95 57.36 3d23 s SER 226 Cb -0.13 -1.81 -0.06 0.00 0.10 0.00 0.00 66.02 64.11 3d23 s SER 226 CO -0.02 -2.43 1.57 0.71 0.98 0.00 0.00 173.24 174.05 3d23 h THR 227 N -1.41 1.23 0.11 2.02 1.35 -1.97 0.31 112.91 114.56 3d23 h THR 227 Ca -0.50 -0.80 0.02 0.00 -0.55 0.00 0.00 66.41 64.58 3d23 h THR 227 Cb 1.31 1.22 -0.03 0.00 -1.73 0.00 0.00 68.15 68.91 3d23 h THR 227 CO 0.60 0.26 -0.24 -0.33 -0.25 0.00 0.00 175.52 175.56 3d23 h GLU 228 N 0.28 -0.41 -1.00 4.72 3.07 -1.96 0.41 114.58 119.69 3d23 h GLU 228 Ca 0.09 0.03 0.04 0.00 -0.50 0.00 0.00 59.36 59.01 3d23 h GLU 228 Cb 0.35 0.09 -0.06 0.00 -0.84 0.00 0.00 28.75 28.29 3d23 h GLU 228 CO 0.01 -0.28 0.65 -0.44 -1.40 0.00 0.00 179.01 177.55 3d23 h ASP 229 N -0.43 1.09 -0.52 1.42 3.45 -1.90 -2.28 116.42 117.25 3d23 h ASP 229 Ca 0.03 -0.01 -0.10 0.00 0.43 0.00 0.00 57.03 57.38 3d23 h ASP 229 Cb 0.46 -0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 38.96 3d23 h ASP 229 CO -0.14 0.74 -0.06 0.15 -1.57 0.00 0.00 179.24 178.36 3d23 h PHE 230 N 1.26 1.06 -0.30 4.55 3.57 0.64 -2.99 116.94 124.74 3d23 h PHE 230 Ca 0.40 -0.21 -0.08 0.00 3.53 0.00 0.00 57.97 61.61 3d23 h PHE 230 Cb 0.01 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.47 3d23 h PHE 230 CO -0.00 0.99 -0.16 -0.91 -2.23 0.00 0.00 178.31 176.00 3d23 h ASN 231 N 0.83 0.52 -0.68 0.41 -0.26 0.20 0.35 115.58 116.95 3d23 h ASN 231 Ca 0.14 -0.15 0.06 0.00 -0.56 0.00 0.00 56.30 55.79 3d23 h ASN 231 Cb 0.61 -0.14 -0.06 0.00 -1.06 0.00 0.00 38.32 37.68 3d23 h ASN 231 CO 0.04 0.70 0.38 0.58 -1.06 0.00 0.00 177.43 178.07 3d23 h VAL 232 N 0.48 0.97 0.00 2.81 2.07 -1.39 -3.18 116.25 118.02 3d23 h VAL 232 Ca 0.08 -0.24 -0.22 0.00 0.82 0.00 0.00 66.70 67.14 3d23 h VAL 232 Cb 0.56 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 3d23 h VAL 232 CO 0.04 0.13 -1.07 -0.25 0.02 0.00 0.00 177.57 176.43 3d23 h TRP 233 N 0.70 0.02 0.36 1.57 7.01 -1.15 -3.35 115.95 121.10 3d23 h TRP 233 Ca 0.30 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.28 3d23 h TRP 233 Cb 0.19 -0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.23 3d23 h TRP 233 CO -0.08 1.01 -0.43 0.00 -2.79 0.00 0.00 178.44 176.16 3d23 h ALA 234 N 0.98 -1.06 -0.11 2.65 0.00 -0.32 -2.74 119.26 118.66 3d23 h ALA 234 Ca -0.04 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.73 3d23 h ALA 234 Cb 1.80 0.69 -0.01 0.00 0.00 0.00 0.00 17.79 20.26 3d23 h ALA 234 CO 0.13 -1.10 -0.07 -1.33 0.00 0.00 0.00 179.25 176.88 3d23 n MET 235 N -4.97 -0.05 -0.19 0.00 2.81 -1.23 -0.36 117.12 113.14 3d23 n MET 235 Ca -0.09 0.60 0.20 0.00 -1.81 0.00 0.00 57.70 56.60 3d23 n MET 235 Cb 0.38 -0.90 0.56 0.00 -0.71 0.00 0.00 33.22 32.55 3d23 n MET 235 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3d23 h ALA 236 N -0.38 2.32 -0.04 3.04 0.00 -1.72 -3.25 119.26 119.23 3d23 h ALA 236 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3d23 h ALA 236 Cb 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3d23 h ALA 236 CO -0.10 -0.57 0.00 0.09 0.00 0.00 0.00 179.25 178.67 3d23 n ASN 237 N -4.45 2.20 -0.17 0.00 4.13 0.52 -5.01 115.26 112.49 3d23 n ASN 237 Ca 0.17 -1.60 0.00 0.00 1.68 0.00 0.00 54.58 54.83 3d23 n ASN 237 Cb 0.69 -0.01 0.00 0.00 -1.54 0.00 0.00 39.78 38.92 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 0.78 0.76 2.99 7.41 0.00 -0.82 -5.03 105.19 111.28 3d23 n GLY 238 Ca 0.08 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.87 0.35 0.32 1.61 0.40 -1.19 -1.66 117.98 115.93 3d23 s PHE 239 Ca 0.00 -0.48 -0.12 0.00 -0.60 0.00 0.00 56.93 55.73 3d23 s PHE 239 Cb 0.00 -0.23 -0.08 0.00 0.51 0.00 0.00 43.02 43.22 3d23 s PHE 239 CO 0.00 -0.15 0.69 -1.54 0.70 0.00 0.00 175.22 174.93 3d23 s SER 240 N -1.38 6.66 -0.03 1.36 1.04 -0.38 -4.08 113.70 116.89 3d23 s SER 240 Ca -0.13 1.14 -0.38 0.00 0.48 0.00 0.00 55.95 57.05 3d23 s SER 240 Cb -0.09 -2.32 -0.17 0.00 0.10 0.00 0.00 66.02 63.54 3d23 s SER 240 CO -0.01 -0.22 1.45 0.00 0.98 0.00 0.00 173.24 175.44 3d23 n GLN 241 N -0.58 1.07 -2.30 4.02 1.13 -1.26 -4.43 117.38 115.03 3d23 n GLN 241 Ca 0.02 0.39 -0.42 0.00 -1.94 0.00 0.00 57.00 55.05 3d23 n GLN 241 Cb 0.53 -2.03 -0.03 0.00 0.11 0.00 0.00 30.24 28.82 3d23 n GLN 241 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3d23 s VAL 242 N 1.38 3.74 0.45 5.09 1.01 -1.26 -4.83 120.40 125.97 3d23 s VAL 242 Ca 0.89 1.22 0.07 0.00 0.00 0.00 0.00 61.98 64.16 3d23 s VAL 242 Cb -1.01 -3.78 -0.01 0.00 0.00 0.00 0.00 36.38 31.57 3d23 s VAL 242 CO 0.53 0.07 0.32 -0.54 0.00 0.00 0.00 175.10 175.49 3d23 s LYS 243 N 1.39 2.36 0.83 2.72 -0.14 -1.26 -4.99 119.74 120.65 3d23 s LYS 243 Ca 0.61 -1.77 -0.11 0.00 -1.36 0.00 0.00 55.97 53.35 3d23 s LYS 243 Cb -0.32 -2.18 0.10 0.00 -1.68 0.00 0.00 37.83 33.75 3d23 s LYS 243 CO 0.29 -0.29 1.13 0.00 -0.76 0.00 0.00 175.35 175.72 3d23 s ALA 244 N -2.59 1.87 -0.30 5.17 0.00 -1.26 -5.05 121.76 119.60 3d23 s ALA 244 Ca 0.42 0.50 -0.13 0.00 0.00 0.00 0.00 51.96 52.75 3d23 s ALA 244 Cb -0.01 -3.38 0.16 0.00 0.00 0.00 0.00 23.12 19.89 3d23 s ALA 244 CO 0.24 -2.25 0.93 0.34 0.00 0.00 0.00 175.76 175.03 3d23 s ASP 245 N -2.87 -0.68 0.41 0.00 -1.08 -1.26 -5.05 116.67 106.16 3d23 s ASP 245 Ca 0.65 0.82 0.21 0.00 -0.52 0.00 0.00 52.55 53.72 3d23 s ASP 245 Cb -0.21 1.73 0.86 0.00 -1.46 0.00 0.00 42.92 43.83 3d23 s ASP 245 CO 0.55 -0.13 1.81 -0.07 0.52 0.00 0.00 175.17 177.86 3d23 h LEU 246 N 7.65 0.00 0.09 -1.34 3.38 -1.99 -2.46 115.31 120.64 3d23 h LEU 246 Ca -0.16 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 3d23 h LEU 246 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3d23 h LEU 246 CO 0.07 0.30 -0.04 0.58 0.09 0.00 0.00 178.44 179.44 3d23 h VAL 247 N 0.00 1.16 -0.82 1.22 2.07 -1.96 -1.41 116.25 116.52 3d23 h VAL 247 Ca -0.00 -1.29 0.19 0.00 0.82 0.00 0.00 66.70 66.42 3d23 h VAL 247 Cb 0.76 1.94 -0.12 0.00 -1.52 0.00 0.00 31.29 32.36 3d23 h VAL 247 CO 0.04 0.30 0.29 -0.07 0.02 0.00 0.00 177.57 178.15 3d23 h LEU 248 N -0.74 0.19 -1.20 2.57 3.38 -1.92 0.35 115.31 117.95 3d23 h LEU 248 Ca -0.01 0.15 0.08 0.00 0.09 0.00 0.00 57.88 58.19 3d23 h LEU 248 Cb 0.57 0.16 -0.06 0.00 0.09 0.00 0.00 40.66 41.42 3d23 h LEU 248 CO 0.02 -0.00 0.57 0.44 0.09 0.00 0.00 178.44 179.56 3d23 h ASP 249 N 0.35 0.82 0.18 -0.43 3.32 -1.28 0.28 116.42 119.67 3d23 h ASP 249 Ca 0.49 0.02 -0.21 0.00 0.02 0.00 0.00 57.03 57.34 3d23 h ASP 249 Cb 0.87 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.26 3d23 h ASP 249 CO -0.51 0.50 -0.81 0.00 -1.72 0.00 0.00 179.24 176.70 3d23 h ALA 250 N 1.54 0.45 -0.05 3.45 0.00 0.67 -2.02 119.26 123.31 3d23 h ALA 250 Ca 0.40 -0.64 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 3d23 h ALA 250 Cb 0.33 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3d23 h ALA 250 CO -0.16 0.76 -0.57 -0.07 0.00 0.00 0.00 179.25 179.20 3d23 h LEU 251 N 0.33 0.17 -0.13 0.00 3.38 0.35 -1.33 115.31 118.07 3d23 h LEU 251 Ca -0.05 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 3d23 h LEU 251 Cb 1.42 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 3d23 h LEU 251 CO 0.15 0.70 0.06 0.00 0.09 0.00 0.00 178.44 179.44 3d23 h ALA 252 N 1.30 0.16 -0.34 1.53 0.00 -0.14 -1.71 119.26 120.07 3d23 h ALA 252 Ca -0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3d23 h ALA 252 Cb 1.04 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 3d23 h ALA 252 CO 0.08 -0.28 0.17 1.03 0.00 0.00 0.00 179.25 180.25 3d23 h SER 253 N 0.09 0.45 -0.64 0.00 0.87 -1.23 0.83 113.55 113.91 3d23 h SER 253 Ca 0.04 -0.12 0.01 0.00 -1.23 0.00 0.00 61.79 60.49 3d23 h SER 253 Cb 0.10 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 61.92 3d23 h SER 253 CO -0.01 0.45 0.43 0.24 -0.53 0.00 0.00 176.83 177.40 3d23 h MET 254 N 0.42 0.84 0.00 2.24 2.07 -0.96 -3.04 114.93 116.50 3d23 h MET 254 Ca 0.12 -0.05 0.00 0.00 -2.07 0.00 0.00 59.70 57.70 3d23 h MET 254 Cb 0.12 -0.19 0.00 0.00 -1.87 0.00 0.00 31.60 29.66 3d23 h MET 254 CO -0.02 0.56 -1.07 0.25 1.07 0.00 0.00 176.91 177.70 3d23 n THR 255 N -4.64 0.48 -0.47 2.22 -2.24 -0.67 -4.94 114.28 104.03 3d23 n THR 255 Ca 0.05 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 3d23 n THR 255 Cb 0.02 -0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.03 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 1.23 1.76 3.71 3.38 0.00 0.27 -5.01 105.19 110.53 3d23 n GLY 256 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.19 5.17 0.35 1.61 1.01 -1.21 -5.00 120.40 119.14 3d23 s VAL 257 Ca 0.00 0.96 -0.04 0.00 0.00 0.00 0.00 61.98 62.90 3d23 s VAL 257 Cb 0.00 -3.83 -0.05 0.00 0.00 0.00 0.00 36.38 32.51 3d23 s VAL 257 CO 0.00 0.29 0.62 -0.94 0.00 0.00 0.00 175.10 175.07 3d23 s SER 258 N 0.76 6.38 0.23 3.32 1.04 -1.26 -4.38 113.70 119.78 3d23 s SER 258 Ca 0.26 0.73 -0.08 0.00 0.48 0.00 0.00 55.95 57.34 3d23 s SER 258 Cb -0.15 -2.15 0.25 0.00 0.10 0.00 0.00 66.02 64.06 3d23 s SER 258 CO 0.10 -0.31 1.87 0.40 0.98 0.00 0.00 173.24 176.28 3d23 h ILE 259 N 0.96 1.13 0.00 -1.02 2.04 -1.95 -1.32 117.51 117.36 3d23 h ILE 259 Ca -0.48 -0.36 -0.09 0.00 1.00 0.00 0.00 64.86 64.93 3d23 h ILE 259 Cb 1.20 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 3d23 h ILE 259 CO 0.64 0.19 -0.45 1.05 0.00 0.00 0.00 178.15 179.58 3d23 h GLU 260 N 1.04 0.00 -0.94 2.37 9.09 -1.94 -0.72 114.58 123.49 3d23 h GLU 260 Ca 0.33 0.00 0.12 0.00 0.05 0.00 0.00 59.36 59.86 3d23 h GLU 260 Cb 0.00 0.00 -0.08 0.00 -1.65 0.00 0.00 28.75 27.02 3d23 h GLU 260 CO -0.11 0.45 0.57 1.15 0.05 0.00 0.00 179.01 181.11 3d23 h THR 261 N 0.00 0.89 0.00 -1.06 2.02 -1.49 -2.05 112.91 111.23 3d23 h THR 261 Ca -0.00 -0.31 -0.12 0.00 0.77 0.00 0.00 66.41 66.75 3d23 h THR 261 Cb 0.87 -0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.19 3d23 h THR 261 CO 0.06 0.16 -0.82 -0.07 0.37 0.00 0.00 175.52 175.22 3d23 h LEU 262 N 0.89 0.00 -0.43 2.58 3.38 -0.81 -2.75 115.31 118.16 3d23 h LEU 262 Ca 0.47 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.47 3d23 h LEU 262 Cb 0.48 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.19 3d23 h LEU 262 CO -0.27 0.48 0.22 -0.07 0.09 0.00 0.00 178.44 178.89 3d23 h LEU 263 N 0.00 0.33 -0.57 1.67 3.38 -1.04 0.11 115.31 119.19 3d23 h LEU 263 Ca -0.06 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3d23 h LEU 263 Cb 1.42 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 42.10 3d23 h LEU 263 CO 0.05 0.23 0.33 0.00 0.09 0.00 0.00 178.44 179.15 3d23 h ALA 264 N 1.23 0.72 -0.82 1.53 0.00 -1.44 -2.02 119.26 118.45 3d23 h ALA 264 Ca 0.19 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3d23 h ALA 264 Cb 0.08 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3d23 h ALA 264 CO -0.13 0.22 0.54 0.00 0.00 0.00 0.00 179.25 179.88 3d23 h ALA 265 N 1.16 1.05 -0.05 0.00 0.00 -1.16 -1.87 119.26 118.39 3d23 h ALA 265 Ca 0.20 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.07 3d23 h ALA 265 Cb 0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3d23 h ALA 265 CO -0.04 0.43 -0.03 0.82 0.00 0.00 0.00 179.25 180.43 3d23 h ILE 266 N 1.09 0.91 -0.54 0.00 2.04 -0.22 0.13 117.51 120.92 3d23 h ILE 266 Ca 0.31 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.27 3d23 h ILE 266 Cb -0.10 0.91 -0.11 0.00 -0.74 0.00 0.00 36.82 36.78 3d23 h ILE 266 CO -0.08 0.00 -0.27 0.11 0.00 0.00 0.00 178.15 177.91 3d23 h LYS 267 N -0.03 -0.14 -0.30 2.37 1.57 -0.72 0.28 116.57 119.59 3d23 h LYS 267 Ca 0.03 0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.81 3d23 h LYS 267 Cb 0.07 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 3d23 h LYS 267 CO -0.07 -0.09 0.15 0.00 -0.57 0.00 0.00 179.45 178.86 3d23 h ARG 268 N -0.14 0.41 0.00 3.15 3.08 -1.10 -3.01 114.38 116.77 3d23 h ARG 268 Ca 0.23 -0.04 -0.16 0.00 0.07 0.00 0.00 59.98 60.09 3d23 h ARG 268 Cb 0.52 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 3d23 h ARG 268 CO -0.62 0.32 -0.76 -0.07 -1.07 0.00 0.00 179.97 177.78 3d23 h LEU 269 N 0.42 0.00 -0.65 3.04 3.38 0.51 -3.14 115.31 118.87 3d23 h LEU 269 Ca 0.11 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.19 3d23 h LEU 269 Cb 0.05 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.71 3d23 h LEU 269 CO -0.02 0.75 0.21 0.22 0.09 0.00 0.00 178.44 179.70 3d23 h TYR 270 N 0.00 0.36 0.00 1.13 3.20 -0.38 -2.33 116.97 118.95 3d23 h TYR 270 Ca -0.01 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3d23 h TYR 270 Cb 1.58 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 39.79 3d23 h TYR 270 CO 0.00 0.04 0.00 -1.33 -1.64 0.00 0.00 178.16 175.23 3d23 n MET 271 N -5.05 0.82 0.00 1.82 2.81 -1.19 -4.89 117.12 111.45 3d23 n MET 271 Ca 0.11 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.00 3d23 n MET 271 Cb 0.34 -1.09 0.00 0.00 -0.71 0.00 0.00 33.22 31.75 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 0.27 3.84 0.00 3.03 0.00 -0.88 -4.87 105.19 106.58 3d23 n GLY 272 Ca 0.00 -1.42 0.15 0.00 0.00 0.00 0.00 46.02 44.75 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 -0.45 0.00 -3.56 1.61 0.99 -1.26 -4.57 117.46 110.23 3d23 n PHE 273 Ca 0.00 0.00 -0.07 0.00 -0.00 0.00 0.00 57.45 57.38 3d23 n PHE 273 Cb 0.00 -0.15 0.00 0.00 -1.00 0.00 0.00 39.48 38.33 3d23 n PHE 273 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3d23 n GLN 274 N -1.15 -0.78 0.00 -1.08 0.00 -1.26 -1.81 117.38 111.31 3d23 n GLN 274 Ca 0.18 -0.31 0.00 0.00 0.00 0.00 0.00 57.00 56.87 3d23 n GLN 274 Cb 0.17 0.22 0.00 0.00 0.00 0.00 0.00 30.24 30.63 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 -1.04 2.06 3.75 2.61 0.00 -1.26 -5.02 105.19 106.30 3d23 n GLY 275 Ca -0.03 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.22 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 0.00 3.15 0.12 1.61 0.52 -0.75 -5.05 118.95 118.56 3d23 s ARG 276 Ca 0.00 1.93 0.07 0.00 -0.52 0.00 0.00 55.73 57.21 3d23 s ARG 276 Cb 0.00 -2.10 -0.04 0.00 0.52 0.00 0.00 34.95 33.33 3d23 s ARG 276 CO 0.00 -1.09 -0.07 -0.65 0.02 0.00 0.00 175.30 173.52 3d23 s GLN 277 N -3.10 2.24 -0.20 3.54 -0.21 -1.26 -4.75 119.66 115.91 3d23 s GLN 277 Ca 0.73 -1.03 -0.00 0.00 0.02 0.00 0.00 55.36 55.08 3d23 s GLN 277 Cb -0.33 -2.34 0.02 0.00 1.00 0.00 0.00 33.01 31.36 3d23 s GLN 277 CO 0.37 0.50 -0.14 0.42 -2.12 0.00 0.00 175.29 174.32 3d23 s ILE 278 N -1.37 2.47 -1.42 1.08 1.01 -0.56 -4.62 121.20 117.79 3d23 s ILE 278 Ca 0.23 -0.89 -0.05 0.00 0.00 0.00 0.00 60.65 59.94 3d23 s ILE 278 Cb -0.11 -2.11 0.05 0.00 0.01 0.00 0.00 42.46 40.30 3d23 s ILE 278 CO 0.15 0.44 0.13 0.18 0.00 0.00 0.00 174.94 175.84 3d23 n LEU 279 N 4.66 -0.81 -2.23 2.97 4.77 -1.26 -1.59 117.00 123.50 3d23 n LEU 279 Ca -0.19 -1.11 -0.17 0.00 -0.03 0.00 0.00 56.01 54.51 3d23 n LEU 279 Cb 0.49 -1.39 0.02 0.00 -2.33 0.00 0.00 43.42 40.21 3d23 n LEU 279 CO 0.26 0.33 -0.08 0.61 -1.33 0.00 0.00 177.39 177.19 3d23 n GLY 280 N -2.05 -0.28 3.14 -0.72 0.00 -1.26 -5.04 105.19 98.98 3d23 n GLY 280 Ca -0.19 -0.11 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 3d23 n GLY 280 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3d23 s SER 281 N -2.58 0.81 -0.00 1.61 1.04 -0.62 -5.03 113.70 108.92 3d23 s SER 281 Ca 0.15 -1.04 0.12 0.00 0.48 0.00 0.00 55.95 55.66 3d23 s SER 281 Cb -0.07 0.16 0.34 0.00 0.10 0.00 0.00 66.02 66.55 3d23 s SER 281 CO 0.19 -0.56 1.28 0.00 0.98 0.00 0.00 173.24 175.13 3d23 s THR 283 N -1.04 1.95 0.24 0.00 -4.23 -1.26 -4.72 115.64 106.58 3d23 s THR 283 Ca 0.26 -1.83 -0.30 0.00 -1.18 0.00 0.00 61.69 58.64 3d23 s THR 283 Cb 0.14 -1.85 -0.15 0.00 1.34 0.00 0.00 72.50 71.98 3d23 s THR 283 CO 0.17 -0.17 1.10 0.49 -0.54 0.00 0.00 174.62 175.67 3d23 n PHE 284 N 0.55 1.35 -3.85 3.99 3.01 -1.26 -4.96 117.46 116.30 3d23 n PHE 284 Ca -0.15 0.67 -0.36 0.00 1.01 0.00 0.00 57.45 58.62 3d23 n PHE 284 Cb 0.55 -2.28 -0.13 0.00 -0.01 0.00 0.00 39.48 37.61 3d23 n PHE 284 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 3d23 s GLU 285 N -1.01 3.53 -0.06 -1.08 0.41 -1.26 -4.99 118.70 114.24 3d23 s GLU 285 Ca 0.65 -0.55 0.08 0.00 -0.41 0.00 0.00 54.97 54.74 3d23 s GLU 285 Cb -0.75 -3.16 0.13 0.00 -1.78 0.00 0.00 34.13 28.56 3d23 s GLU 285 CO 0.56 -0.18 1.01 -0.40 -0.49 0.00 0.00 175.26 175.76 3d23 n ASP 286 N 4.82 1.62 -0.15 -0.19 5.75 -1.26 -3.74 116.55 123.39 3d23 n ASP 286 Ca -0.17 -2.37 0.14 0.00 -0.01 0.00 0.00 54.79 52.38 3d23 n ASP 286 Cb 0.51 -0.22 0.56 0.00 -1.03 0.00 0.00 41.12 40.95 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 -0.78 0.75 -4.69 0.11 1.02 -1.26 -4.75 120.64 111.03 3d23 n GLU 287 Ca 0.07 -0.30 -0.32 0.00 -0.02 0.00 0.00 57.16 56.58 3d23 n GLU 287 Cb 0.52 -1.49 -0.17 0.00 -0.02 0.00 0.00 31.44 30.28 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 -2.46 2.09 0.82 -4.62 1.43 -1.26 -4.60 118.68 110.08 3d23 s LEU 288 Ca 0.28 -0.59 -0.11 0.00 -1.03 0.00 0.00 54.13 52.69 3d23 s LEU 288 Cb 0.20 -1.42 0.08 0.00 0.03 0.00 0.00 46.19 45.08 3d23 s LEU 288 CO 0.48 0.08 1.10 0.00 0.23 0.00 0.00 176.35 178.24 3d23 s ALA 289 N 0.79 2.00 0.23 4.21 0.00 -1.26 -4.60 121.76 123.13 3d23 s ALA 289 Ca -0.08 0.29 -0.14 0.00 0.00 0.00 0.00 51.96 52.04 3d23 s ALA 289 Cb -0.16 -3.30 0.29 0.00 0.00 0.00 0.00 23.12 19.95 3d23 s ALA 289 CO -0.01 -2.05 1.59 -1.35 0.00 0.00 0.00 175.76 173.94 3d23 h PRO 290 N -1.33 -0.03 0.00 0.00 0.11 -1.88 -1.97 132.00 126.89 3d23 h PRO 290 Ca -0.44 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.51 3d23 h PRO 290 Cb 1.24 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 32.34 3d23 h PRO 290 CO 0.50 -0.02 -0.75 0.66 -0.21 0.00 0.00 178.00 178.17 3d23 h SER 291 N -0.03 0.00 -0.45 -2.05 4.64 -1.98 0.17 113.55 113.85 3d23 h SER 291 Ca 0.35 0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.76 3d23 h SER 291 Cb 0.58 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.58 3d23 h SER 291 CO -0.82 0.75 -0.13 0.44 -0.87 0.00 0.00 176.83 176.21 3d23 h ASP 292 N 0.00 -0.47 -0.30 4.97 3.32 -1.82 0.15 116.42 122.27 3d23 h ASP 292 Ca -0.01 0.14 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 3d23 h ASP 292 Cb 1.44 0.30 -0.01 0.00 0.22 0.00 0.00 39.33 41.27 3d23 h ASP 292 CO 0.10 -0.17 0.11 0.58 -1.72 0.00 0.00 179.24 178.14 3d23 h VAL 293 N -0.02 1.19 -0.58 -1.35 2.07 -0.52 -1.92 116.25 115.11 3d23 h VAL 293 Ca 0.22 -0.58 -0.08 0.00 0.82 0.00 0.00 66.70 67.08 3d23 h VAL 293 Cb 0.35 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3d23 h VAL 293 CO -0.48 0.20 0.03 0.22 0.02 0.00 0.00 177.57 177.56 3d23 h TYR 294 N 0.33 1.06 -0.35 1.57 3.20 -0.92 -2.22 116.97 119.64 3d23 h TYR 294 Ca 0.10 -0.16 -0.16 0.00 3.14 0.00 0.00 58.73 61.65 3d23 h TYR 294 Cb 0.20 -0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.18 3d23 h TYR 294 CO -0.00 0.93 -0.41 -0.56 -1.64 0.00 0.00 178.16 176.48 3d23 h GLN 295 N 0.91 0.87 0.00 1.82 3.07 -0.58 0.12 115.11 121.32 3d23 h GLN 295 Ca 0.17 -0.47 -0.02 0.00 0.09 0.00 0.00 58.65 58.42 3d23 h GLN 295 Cb 0.49 0.02 -0.00 0.00 0.08 0.00 0.00 27.48 28.07 3d23 h GLN 295 CO 0.02 1.11 -0.10 1.96 0.09 0.00 0.00 178.83 181.91 3d23 h GLN 296 N 0.70 0.00 0.00 0.06 4.20 -1.24 -2.07 115.11 116.77 3d23 h GLN 296 Ca 0.05 0.00 -0.28 0.00 0.06 0.00 0.00 58.65 58.48 3d23 h GLN 296 Cb 0.99 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.72 3d23 h GLN 296 CO 0.10 0.10 -2.05 1.28 -0.67 0.00 0.00 178.83 177.60 3d23 n LEU 297 N -3.19 1.49 -0.00 1.46 4.77 -0.84 -4.66 117.00 116.01 3d23 n LEU 297 Ca 0.01 -0.05 0.06 0.00 -0.03 0.00 0.00 56.01 56.00 3d23 n LEU 297 Cb 0.42 -0.15 -0.09 0.00 -2.33 0.00 0.00 43.42 41.28 3d23 n LEU 297 CO 0.32 0.59 -0.57 0.00 -1.33 0.00 0.00 177.39 176.40 3d23 n ALA 298 N -2.80 2.57 -1.57 -1.18 0.00 0.41 -5.09 120.51 112.86 3d23 n ALA 298 Ca -0.29 -0.29 0.00 0.00 0.00 0.00 0.00 53.44 52.86 3d23 n ALA 298 Cb 0.92 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.96 3d23 n ALA 298 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3d23 n GLY 299 N 1.75 -0.49 0.55 0.00 0.00 -0.78 -5.01 105.19 101.21 3d23 n GLY 299 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 45.99 3d23 n GLY 299 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70