#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a7u s LEU 6 N 0.00 -0.73 -0.09 0.99 2.96 -1.21 -4.97 118.68 115.63 3a7u s LEU 6 Ca 0.00 1.21 -0.00 0.00 -0.22 0.00 0.00 54.13 55.12 3a7u s LEU 6 Cb 0.00 2.13 0.02 0.00 0.50 0.00 0.00 46.19 48.84 3a7u s LEU 6 CO 0.00 -0.19 -0.06 -0.63 -1.32 0.00 0.00 176.35 174.15 3a7u s ILE 7 N 1.28 0.82 0.02 6.68 1.01 -1.26 -1.25 121.20 128.50 3a7u s ILE 7 Ca -0.07 -0.18 0.07 0.00 0.00 0.00 0.00 60.65 60.46 3a7u s ILE 7 Cb -0.05 -0.87 -0.02 0.00 0.01 0.00 0.00 42.46 41.54 3a7u s ILE 7 CO -0.15 0.33 -0.20 -0.76 0.00 0.00 0.00 174.94 174.16 3a7u s LEU 8 N 1.61 2.12 0.29 2.97 1.43 0.17 0.19 118.68 127.46 3a7u s LEU 8 Ca 0.02 -0.46 0.07 0.00 -1.03 0.00 0.00 54.13 52.73 3a7u s LEU 8 Cb -0.13 -0.97 -0.06 0.00 0.03 0.00 0.00 46.19 45.06 3a7u s LEU 8 CO -0.06 0.19 -0.07 -1.58 0.23 0.00 0.00 176.35 175.06 3a7u s GLN 9 N -0.90 1.61 -0.08 1.70 0.74 -0.99 -0.82 119.66 120.91 3a7u s GLN 9 Ca 0.07 -1.82 0.02 0.00 0.05 0.00 0.00 55.36 53.69 3a7u s GLN 9 Cb -0.08 -1.29 0.01 0.00 1.10 0.00 0.00 33.01 32.75 3a7u s GLN 9 CO 0.01 0.06 -0.15 0.45 -0.55 0.00 0.00 175.29 175.12 3a7u s SER 10 N -3.48 2.16 0.31 6.67 0.15 -1.12 -0.67 113.70 117.71 3a7u s SER 10 Ca 0.30 -0.37 0.15 0.00 0.70 0.00 0.00 55.95 56.73 3a7u s SER 10 Cb 0.03 -0.98 0.42 0.00 -1.71 0.00 0.00 66.02 63.78 3a7u s SER 10 CO 0.13 0.04 1.61 -0.29 1.20 0.00 0.00 173.24 175.94 3a7u h ILE 11 N 5.93 1.08 -4.25 6.45 2.10 -1.67 -3.42 117.51 123.73 3a7u h ILE 11 Ca -0.29 -1.96 -0.51 0.00 1.08 0.00 0.00 64.86 63.18 3a7u h ILE 11 Cb 1.19 2.15 0.11 0.00 -1.09 0.00 0.00 36.82 39.18 3a7u h ILE 11 CO 0.47 0.50 0.35 -0.55 -1.08 0.00 0.00 178.15 177.85 3a7u s SER 12 N -6.55 4.93 -0.09 2.19 0.15 -1.26 -4.98 113.70 108.09 3a7u s SER 12 Ca 0.01 1.90 0.20 0.00 0.70 0.00 0.00 55.95 58.76 3a7u s SER 12 Cb 0.11 -2.54 0.43 0.00 -1.71 0.00 0.00 66.02 62.31 3a7u s SER 12 CO 0.73 -1.75 1.19 0.59 1.20 0.00 0.00 173.24 175.19 3a7u n ASN 13 N -2.85 1.35 -4.34 5.45 4.13 -1.26 -4.55 115.26 113.20 3a7u n ASN 13 Ca 0.10 -2.72 -0.46 0.00 1.68 0.00 0.00 54.58 53.18 3a7u n ASN 13 Cb 0.52 -0.39 -0.04 0.00 -1.54 0.00 0.00 39.78 38.34 3a7u n ASN 13 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3a7u s ASP 14 N -2.54 6.45 0.20 6.41 2.15 -1.26 -0.66 116.67 127.43 3a7u s ASP 14 Ca 0.36 -2.10 -0.13 0.00 0.43 0.00 0.00 52.55 51.10 3a7u s ASP 14 Cb 0.38 -2.24 0.23 0.00 -0.30 0.00 0.00 42.92 40.99 3a7u s ASP 14 CO -0.13 -0.81 1.30 0.55 -0.17 0.00 0.00 175.17 175.91 3a7u n VAL 15 N 4.83 -0.43 -0.31 1.11 3.14 -1.26 0.39 118.33 125.80 3a7u n VAL 15 Ca 0.01 1.95 0.09 0.00 -2.96 0.00 0.00 64.34 63.43 3a7u n VAL 15 Cb 0.44 -2.60 0.25 0.00 -1.06 0.00 0.00 33.84 30.88 3a7u n VAL 15 CO 0.00 0.00 0.00 1.88 -6.46 0.00 0.00 176.83 172.25 3a7u h TYR 16 N 0.00 0.82 0.25 1.45 0.05 -1.93 0.63 116.97 118.25 3a7u h TYR 16 Ca 0.31 0.04 -0.01 0.00 0.05 0.00 0.00 58.73 59.11 3a7u h TYR 16 Cb 0.52 -0.23 0.00 0.00 1.01 0.00 0.00 36.73 38.03 3a7u h TYR 16 CO -0.72 0.17 -0.12 0.45 -1.05 0.00 0.00 178.16 176.89 3a7u h HIS 17 N 0.63 -0.31 -0.63 4.88 3.86 -0.39 -1.05 115.15 122.15 3a7u h HIS 17 Ca 0.50 -0.01 0.18 0.00 -1.16 0.00 0.00 60.37 59.89 3a7u h HIS 17 Cb 0.75 0.10 -0.03 0.00 1.06 0.00 0.00 27.41 29.30 3a7u h HIS 17 CO -0.08 0.06 0.57 -0.91 0.86 0.00 0.00 177.93 178.43 3a7u h ASN 18 N -0.80 0.00 0.03 2.45 2.35 -0.52 0.38 115.58 119.47 3a7u h ASN 18 Ca -0.03 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3a7u h ASN 18 Cb 0.51 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.88 3a7u h ASN 18 CO 0.06 0.00 -0.01 -0.07 -1.65 0.00 0.00 177.43 175.75 3a7u h LEU 19 N 0.00 -0.03 -0.80 1.61 3.38 0.41 -3.23 115.31 116.65 3a7u h LEU 19 Ca 0.30 -0.68 0.17 0.00 0.09 0.00 0.00 57.88 57.76 3a7u h LEU 19 Cb 1.43 0.01 -0.11 0.00 0.09 0.00 0.00 40.66 42.08 3a7u h LEU 19 CO -0.00 0.72 0.29 0.00 0.09 0.00 0.00 178.44 179.53 3a7u h ALA 20 N 0.04 1.15 -0.44 1.53 0.00 0.40 0.37 119.26 122.31 3a7u h ALA 20 Ca -0.00 0.15 0.09 0.00 0.00 0.00 0.00 54.91 55.14 3a7u h ALA 20 Cb 0.72 0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.57 3a7u h ALA 20 CO 0.01 -0.29 -0.24 0.28 0.00 0.00 0.00 179.25 179.00 3a7u h VAL 21 N 0.38 0.33 -0.93 0.00 2.07 -1.42 -1.23 116.25 115.45 3a7u h VAL 21 Ca 0.46 0.00 0.12 0.00 0.82 0.00 0.00 66.70 68.10 3a7u h VAL 21 Cb 0.80 0.33 -0.14 0.00 -1.52 0.00 0.00 31.29 30.76 3a7u h VAL 21 CO -0.48 0.00 -0.47 -0.33 0.02 0.00 0.00 177.57 176.31 3a7u h GLU 22 N -0.16 -0.04 0.62 1.57 5.08 -0.28 -1.34 114.58 120.04 3a7u h GLU 22 Ca 0.21 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.54 3a7u h GLU 22 Cb 0.48 0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.74 3a7u h GLU 22 CO -0.53 -0.03 -0.30 -0.44 -1.00 0.00 0.00 179.01 176.71 3a7u h ASP 23 N -0.04 -0.70 0.00 1.42 3.32 -1.28 -2.59 116.42 116.55 3a7u h ASP 23 Ca 0.25 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.32 3a7u h ASP 23 Cb 0.52 0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.26 3a7u h ASP 23 CO -0.92 -0.43 0.00 1.87 -1.72 0.00 0.00 179.24 178.04 3a7u n TRP 24 N -4.64 0.00 -0.28 4.55 -0.00 -0.51 0.37 117.44 116.92 3a7u n TRP 24 Ca -0.10 0.00 0.10 0.00 -0.00 0.00 0.00 57.50 57.50 3a7u n TRP 24 Cb 0.33 -0.07 0.26 0.00 -0.00 0.00 0.00 31.31 31.82 3a7u n TRP 24 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 177.69 178.51 3a7u h ILE 25 N 0.00 0.45 -0.06 5.87 2.04 -1.26 0.75 117.51 125.31 3a7u h ILE 25 Ca 0.00 -0.11 -0.15 0.00 1.00 0.00 0.00 64.86 65.60 3a7u h ILE 25 Cb 0.00 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.18 3a7u h ILE 25 CO 0.00 0.06 -0.63 -0.74 0.00 0.00 0.00 178.15 176.83 3a7u h HIS 26 N 0.31 0.29 -0.00 1.37 2.76 0.72 -2.35 115.15 118.25 3a7u h HIS 26 Ca 0.50 -0.12 0.00 0.00 -2.20 0.00 0.00 60.37 58.56 3a7u h HIS 26 Cb 0.94 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.85 3a7u h HIS 26 CO -0.21 0.79 -0.28 -0.25 -1.30 0.00 0.00 177.93 176.68 3a7u n ASP 27 N -3.85 0.40 0.00 3.26 8.00 0.26 -4.87 116.55 119.76 3a7u n ASP 27 Ca -0.02 -0.15 0.00 0.00 0.71 0.00 0.00 54.79 55.33 3a7u n ASP 27 Cb 0.64 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.72 3a7u n ASP 27 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 3a7u n HIS 28 N -1.34 0.00 -0.96 1.24 8.25 0.24 -5.03 115.22 117.62 3a7u n HIS 28 Ca 0.08 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.16 3a7u n HIS 28 Cb 0.33 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.39 3a7u n HIS 28 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 3a7u n MET 29 N 0.00 0.00 -2.28 -0.41 2.81 -1.12 -4.76 117.12 111.35 3a7u n MET 29 Ca 0.00 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.46 3a7u n MET 29 Cb 0.00 -0.95 -0.02 0.00 -0.71 0.00 0.00 33.22 31.53 3a7u n MET 29 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 3a7u s ASN 30 N -0.02 6.25 0.00 7.83 2.47 -1.26 -4.85 114.94 125.36 3a7u s ASN 30 Ca 0.58 0.91 0.25 0.00 0.42 0.00 0.00 52.86 55.02 3a7u s ASN 30 Cb -0.81 -2.54 1.33 0.00 -1.45 0.00 0.00 41.25 37.79 3a7u s ASN 30 CO 0.37 -1.49 1.88 0.18 -3.72 0.00 0.00 177.10 174.31 3a7u n LEU 31 N 9.11 0.46 -4.60 3.21 4.77 -1.26 -4.46 117.00 124.24 3a7u n LEU 31 Ca 0.18 -0.17 -0.44 0.00 -0.03 0.00 0.00 56.01 55.54 3a7u n LEU 31 Cb 0.48 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.52 3a7u n LEU 31 CO 0.70 0.09 1.76 1.21 -1.33 0.00 0.00 177.39 179.82 3a7u n GLU 32 N -0.56 2.07 -2.69 3.23 4.07 -1.26 -0.83 120.64 124.67 3a7u n GLU 32 Ca 0.19 0.64 -0.10 0.00 -0.06 0.00 0.00 57.16 57.83 3a7u n GLU 32 Cb 0.16 -3.04 -0.01 0.00 -0.06 0.00 0.00 31.44 28.50 3a7u n GLU 32 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3a7u n GLY 33 N 5.48 -0.49 2.50 8.31 0.00 -1.26 -4.80 105.19 114.91 3a7u n GLY 33 Ca 0.29 0.01 -0.13 0.00 0.00 0.00 0.00 46.02 46.19 3a7u n GLY 33 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3a7u n LYS 34 N -2.84 1.01 -0.59 1.61 4.76 -0.01 -4.76 118.16 117.34 3a7u n LYS 34 Ca -0.05 -2.60 -0.30 0.00 -2.87 0.00 0.00 58.31 52.49 3a7u n LYS 34 Cb 0.54 -1.28 0.21 0.00 -1.84 0.00 0.00 35.03 32.66 3a7u n LYS 34 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 3a7u n PRO 35 N 0.26 -1.34 -3.69 1.97 -0.02 -1.21 -4.06 135.00 126.91 3a7u n PRO 35 Ca 0.14 -0.34 -0.12 0.00 -2.02 0.00 0.00 63.50 61.15 3a7u n PRO 35 Cb 0.70 -2.26 -0.13 0.00 -0.02 0.00 0.00 33.50 31.79 3a7u n PRO 35 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3a7u s VAL 36 N -2.53 -0.29 -0.16 -1.45 1.01 -0.33 -3.32 120.40 113.32 3a7u s VAL 36 Ca 0.67 0.21 -0.07 0.00 0.00 0.00 0.00 61.98 62.79 3a7u s VAL 36 Cb -0.24 -0.46 -0.04 0.00 0.00 0.00 0.00 36.38 35.64 3a7u s VAL 36 CO 0.61 0.09 0.08 -0.22 0.00 0.00 0.00 175.10 175.66 3a7u s LEU 37 N 1.99 3.96 -0.14 3.92 2.96 -0.38 -0.53 118.68 130.47 3a7u s LEU 37 Ca -0.03 0.18 -0.00 0.00 -0.22 0.00 0.00 54.13 54.06 3a7u s LEU 37 Cb -0.11 -1.99 0.03 0.00 0.50 0.00 0.00 46.19 44.62 3a7u s LEU 37 CO -0.09 0.24 -0.09 0.12 -1.32 0.00 0.00 176.35 175.20 3a7u s PHE 38 N -0.00 1.77 0.07 5.38 5.36 -0.80 -0.65 117.98 129.10 3a7u s PHE 38 Ca 0.07 -0.99 0.06 0.00 -0.96 0.00 0.00 56.93 55.11 3a7u s PHE 38 Cb -0.12 -1.38 -0.04 0.00 -0.34 0.00 0.00 43.02 41.15 3a7u s PHE 38 CO 0.01 -0.59 -0.09 -0.51 -1.46 0.00 0.00 175.22 172.58 3a7u s LEU 39 N 1.61 3.08 -0.30 6.12 1.02 -0.00 -0.98 118.68 129.23 3a7u s LEU 39 Ca 0.04 -0.30 -0.16 0.00 0.02 0.00 0.00 54.13 53.73 3a7u s LEU 39 Cb -0.13 -1.83 0.17 0.00 0.02 0.00 0.00 46.19 44.42 3a7u s LEU 39 CO -0.09 0.22 1.08 -1.66 0.02 0.00 0.00 176.35 175.92 3a7u s TRP 40 N -1.13 -0.46 -0.09 0.29 1.48 -0.64 -2.81 118.94 115.59 3a7u s TRP 40 Ca 0.20 0.83 -0.05 0.00 -1.06 0.00 0.00 56.10 56.02 3a7u s TRP 40 Cb -0.11 0.27 -0.04 0.00 -1.16 0.00 0.00 33.47 32.43 3a7u s TRP 40 CO 0.11 -0.23 0.12 1.03 -4.06 0.00 0.00 176.95 173.93 3a7u s ARG 41 N 1.90 3.35 0.12 3.25 0.52 -1.26 -2.92 118.95 123.90 3a7u s ARG 41 Ca -0.04 -0.23 0.10 0.00 -0.52 0.00 0.00 55.73 55.03 3a7u s ARG 41 Cb -0.04 -3.09 -0.04 0.00 0.52 0.00 0.00 34.95 32.30 3a7u s ARG 41 CO -0.15 0.74 -0.22 -0.80 0.02 0.00 0.00 175.30 174.88 3a7u s ASN 42 N -1.24 3.61 1.11 0.23 0.02 -1.26 -4.03 114.94 113.38 3a7u s ASN 42 Ca 0.18 -0.64 -0.19 0.00 -1.02 0.00 0.00 52.86 51.19 3a7u s ASN 42 Cb -0.12 -0.40 0.11 0.00 0.02 0.00 0.00 41.25 40.87 3a7u s ASN 42 CO 0.07 0.18 -0.00 -1.54 0.02 0.00 0.00 177.10 175.83 3a7u n SER 43 N 0.90 -2.56 -4.67 -1.22 3.41 0.17 -2.69 113.62 106.96 3a7u n SER 43 Ca -0.17 -0.19 -0.42 0.00 -0.26 0.00 0.00 58.87 57.83 3a7u n SER 43 Cb 0.53 -0.90 -0.03 0.00 -0.26 0.00 0.00 64.21 63.55 3a7u n SER 43 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3a7u n PRO 44 N -1.92 2.84 -3.64 4.33 -0.02 -1.26 -4.11 135.00 131.22 3a7u n PRO 44 Ca 0.02 1.04 -0.06 0.00 -2.02 0.00 0.00 63.50 62.48 3a7u n PRO 44 Cb 0.59 -2.98 -0.07 0.00 -0.02 0.00 0.00 33.50 31.02 3a7u n PRO 44 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3a7u s THR 45 N 4.00 -0.08 -0.13 3.45 2.01 -0.87 -2.97 115.64 121.06 3a7u s THR 45 Ca 0.87 0.00 -0.16 0.00 0.31 0.00 0.00 61.69 62.71 3a7u s THR 45 Cb -0.45 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.01 3a7u s THR 45 CO 0.41 0.00 0.38 -0.69 -0.69 0.00 0.00 174.62 174.03 3a7u s VAL 46 N 1.70 5.24 -0.12 3.82 1.01 0.18 -0.87 120.40 131.37 3a7u s VAL 46 Ca -0.10 0.75 0.03 0.00 0.00 0.00 0.00 61.98 62.66 3a7u s VAL 46 Cb -0.05 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.62 3a7u s VAL 46 CO -0.19 0.37 -0.20 -0.69 0.00 0.00 0.00 175.10 174.39 3a7u s VAL 47 N 0.44 1.87 0.07 2.92 1.01 -0.99 -0.18 120.40 125.54 3a7u s VAL 47 Ca 0.21 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.36 3a7u s VAL 47 Cb -0.14 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 3a7u s VAL 47 CO 0.07 0.52 -0.05 0.27 0.00 0.00 0.00 175.10 175.91 3a7u s ILE 48 N 0.74 3.74 1.18 2.22 -4.36 -0.12 -2.53 121.20 122.07 3a7u s ILE 48 Ca -0.10 -1.01 -0.15 0.00 -0.26 0.00 0.00 60.65 59.14 3a7u s ILE 48 Cb -0.16 -2.73 0.24 0.00 1.25 0.00 0.00 42.46 41.06 3a7u s ILE 48 CO 0.01 0.19 0.69 0.61 0.24 0.00 0.00 174.94 176.69 3a7u n GLY 49 N 0.88 -2.25 0.18 6.27 0.00 -1.22 -2.45 105.19 106.59 3a7u n GLY 49 Ca -0.13 -1.08 -0.04 0.00 0.00 0.00 0.00 46.02 44.77 3a7u n GLY 49 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3a7u h ARG 50 N -2.55 0.03 -1.29 1.61 9.65 -1.25 -3.03 114.38 117.56 3a7u h ARG 50 Ca -0.60 -0.00 -0.65 0.00 -1.10 0.00 0.00 59.98 57.62 3a7u h ARG 50 Cb 1.35 -0.01 -0.35 0.00 -1.39 0.00 0.00 29.97 29.57 3a7u h ARG 50 CO 0.46 0.02 0.15 0.72 2.80 0.00 0.00 179.97 184.13 3a7u n HIS 51 N -5.29 3.09 -3.59 2.20 -0.00 -1.26 -4.88 115.22 105.50 3a7u n HIS 51 Ca 0.03 -2.67 -0.21 0.00 -0.00 0.00 0.00 57.72 54.87 3a7u n HIS 51 Cb 0.24 -0.82 -0.03 0.00 -0.00 0.00 0.00 29.99 29.38 3a7u n HIS 51 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.34 175.69 3a7u s GLN 52 N -3.77 2.55 -0.39 -0.41 -0.21 -1.14 -4.77 119.66 111.51 3a7u s GLN 52 Ca 0.55 -1.52 -0.04 0.00 0.02 0.00 0.00 55.36 54.36 3a7u s GLN 52 Cb 0.44 -2.38 0.09 0.00 1.00 0.00 0.00 33.01 32.16 3a7u s GLN 52 CO -0.13 -0.17 0.19 1.21 -2.12 0.00 0.00 175.29 174.26 3a7u s ASN 53 N -4.12 5.30 0.22 5.90 3.84 -1.26 -4.51 114.94 120.31 3a7u s ASN 53 Ca 0.48 -1.75 -0.11 0.00 0.21 0.00 0.00 52.86 51.68 3a7u s ASN 53 Cb -0.03 -1.85 0.30 0.00 -0.55 0.00 0.00 41.25 39.11 3a7u s ASN 53 CO 0.28 -0.50 1.65 -0.65 -2.79 0.00 0.00 177.10 175.10 3a7u h PRO 54 N 8.14 0.09 0.00 0.43 0.11 -1.94 0.22 132.00 139.06 3a7u h PRO 54 Ca -0.17 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.92 3a7u h PRO 54 Cb 1.06 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 3a7u h PRO 54 CO 0.69 0.06 -0.07 -1.49 -0.21 0.00 0.00 178.00 176.98 3a7u h TRP 55 N 0.09 0.00 0.08 0.65 6.55 -1.94 -2.36 115.95 119.02 3a7u h TRP 55 Ca 0.33 0.00 -0.27 0.00 0.95 0.00 0.00 58.89 59.89 3a7u h TRP 55 Cb 0.53 0.00 0.02 0.00 -0.86 0.00 0.00 29.16 28.85 3a7u h TRP 55 CO -0.40 0.07 -1.15 1.96 -1.05 0.00 0.00 178.44 177.87 3a7u h GLN 56 N 0.00 0.50 0.15 0.49 4.20 -1.31 -3.40 115.11 115.73 3a7u h GLN 56 Ca -0.00 -0.65 -0.32 0.00 0.06 0.00 0.00 58.65 57.73 3a7u h GLN 56 Cb 0.32 0.21 -0.00 0.00 0.30 0.00 0.00 27.48 28.31 3a7u h GLN 56 CO 0.01 1.27 -1.66 0.93 -0.67 0.00 0.00 178.83 178.71 3a7u h GLU 57 N 0.23 0.31 -5.90 1.46 4.39 -1.11 -3.39 114.58 110.56 3a7u h GLU 57 Ca -0.15 -0.53 -0.53 0.00 0.34 0.00 0.00 59.36 58.49 3a7u h GLU 57 Cb 1.82 0.20 -0.15 0.00 -0.10 0.00 0.00 28.75 30.52 3a7u h GLU 57 CO 0.21 1.25 -0.75 0.00 -1.16 0.00 0.00 179.01 178.56 3a7u n ASN 59 N -0.37 8.00 -0.20 0.00 5.03 -1.26 -4.78 115.26 121.68 3a7u n ASN 59 Ca -0.08 -2.86 0.10 0.00 0.87 0.00 0.00 54.58 52.61 3a7u n ASN 59 Cb 0.60 -1.44 0.19 0.00 -1.02 0.00 0.00 39.78 38.11 3a7u n ASN 59 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3a7u n LEU 60 N 2.47 -0.04 -0.03 3.41 4.32 -1.26 0.36 117.00 126.22 3a7u n LEU 60 Ca 0.67 1.00 -0.09 0.00 -0.02 0.00 0.00 56.01 57.57 3a7u n LEU 60 Cb 0.32 -0.38 -0.02 0.00 -1.62 0.00 0.00 43.42 41.72 3a7u n LEU 60 CO 0.68 -1.02 0.72 -0.55 -1.22 0.00 0.00 177.39 176.00 3a7u h ASN 61 N 0.00 -0.64 0.02 -1.43 7.08 -1.98 1.11 115.58 119.73 3a7u h ASN 61 Ca 0.37 0.12 0.01 0.00 -3.08 0.00 0.00 56.30 53.72 3a7u h ASN 61 Cb 0.79 0.30 -0.01 0.00 -2.08 0.00 0.00 38.32 37.33 3a7u h ASN 61 CO -0.55 -0.25 -0.05 0.25 -2.08 0.00 0.00 177.43 174.76 3a7u h LEU 62 N -0.22 -0.13 -0.96 6.14 5.85 0.60 -1.96 115.31 124.63 3a7u h LEU 62 Ca 0.12 0.02 0.17 0.00 0.84 0.00 0.00 57.88 59.03 3a7u h LEU 62 Cb 0.41 0.05 -0.10 0.00 0.37 0.00 0.00 40.66 41.39 3a7u h LEU 62 CO -0.33 -0.07 0.57 0.24 -0.34 0.00 0.00 178.44 178.51 3a7u h MET 63 N -0.09 0.73 0.39 1.25 2.86 -0.54 -2.62 114.93 116.91 3a7u h MET 63 Ca 0.01 -0.04 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 3a7u h MET 63 Cb 0.10 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 31.59 3a7u h MET 63 CO -0.04 0.48 -0.26 -0.09 1.06 0.00 0.00 176.91 178.07 3a7u h ARG 64 N 0.75 -0.61 0.00 1.72 2.43 0.20 -0.03 114.38 118.85 3a7u h ARG 64 Ca 0.54 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.75 3a7u h ARG 64 Cb 0.79 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.48 3a7u h ARG 64 CO -0.37 -0.41 0.00 0.39 -1.51 0.00 0.00 179.97 178.08 3a7u n GLU 65 N -5.39 0.05 -0.04 0.20 1.02 -0.91 -3.12 120.64 112.45 3a7u n GLU 65 Ca -0.10 0.00 0.04 0.00 -0.02 0.00 0.00 57.16 57.07 3a7u n GLU 65 Cb 0.29 -1.48 0.05 0.00 -0.02 0.00 0.00 31.44 30.28 3a7u n GLU 65 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 3a7u n GLU 66 N -0.98 2.16 -0.50 3.49 4.07 -0.04 -4.95 120.64 123.89 3a7u n GLU 66 Ca 0.01 -1.83 0.00 0.00 -0.06 0.00 0.00 57.16 55.28 3a7u n GLU 66 Cb 0.01 -1.14 0.00 0.00 -0.06 0.00 0.00 31.44 30.24 3a7u n GLU 66 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3a7u n GLY 67 N -0.80 0.00 3.66 8.31 0.00 -1.18 -4.88 105.19 110.30 3a7u n GLY 67 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 3a7u n GLY 67 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a7u s VAL 68 N -0.76 4.56 0.48 1.61 1.01 -1.12 -4.94 120.40 121.24 3a7u s VAL 68 Ca 0.00 1.88 -0.12 0.00 0.00 0.00 0.00 61.98 63.74 3a7u s VAL 68 Cb 0.00 -4.21 -0.06 0.00 0.00 0.00 0.00 36.38 32.10 3a7u s VAL 68 CO 0.00 -0.15 0.88 -0.54 0.00 0.00 0.00 175.10 175.29 3a7u s LYS 69 N 3.19 3.78 0.11 2.72 1.02 -1.16 -4.57 119.74 124.83 3a7u s LYS 69 Ca 0.48 0.63 0.08 0.00 0.02 0.00 0.00 55.97 57.18 3a7u s LYS 69 Cb -0.17 -2.26 -0.04 0.00 -0.52 0.00 0.00 37.83 34.84 3a7u s LYS 69 CO 0.10 -0.21 -0.14 -1.17 -0.92 0.00 0.00 175.35 173.00 3a7u s LEU 70 N -4.22 2.86 0.04 3.17 2.96 -1.26 0.51 118.68 122.74 3a7u s LEU 70 Ca 0.54 -0.47 -0.22 0.00 -0.22 0.00 0.00 54.13 53.75 3a7u s LEU 70 Cb -0.10 -1.68 0.05 0.00 0.50 0.00 0.00 46.19 44.95 3a7u s LEU 70 CO 0.36 0.18 0.52 0.00 -1.32 0.00 0.00 176.35 176.09 3a7u s ALA 71 N -1.18 -1.31 -0.08 5.97 0.00 0.74 -4.89 121.76 121.01 3a7u s ALA 71 Ca 0.20 0.61 0.03 0.00 0.00 0.00 0.00 51.96 52.80 3a7u s ALA 71 Cb -0.11 0.35 0.01 0.00 0.00 0.00 0.00 23.12 23.37 3a7u s ALA 71 CO 0.12 -0.49 -0.18 0.50 0.00 0.00 0.00 175.76 175.71 3a7u s ARG 72 N -2.34 2.36 0.10 0.00 3.52 -1.26 -0.94 118.95 120.39 3a7u s ARG 72 Ca -0.06 -0.64 0.04 0.00 -0.13 0.00 0.00 55.73 54.94 3a7u s ARG 72 Cb -0.01 -1.85 -0.04 0.00 -1.56 0.00 0.00 34.95 31.49 3a7u s ARG 72 CO -0.01 0.09 0.07 -0.98 -0.81 0.00 0.00 175.30 173.66 3a7u s ARG 73 N 0.53 2.80 0.32 5.12 1.70 -1.03 -4.94 118.95 123.45 3a7u s ARG 73 Ca -0.16 -0.77 0.25 0.00 -0.47 0.00 0.00 55.73 54.58 3a7u s ARG 73 Cb -0.17 -2.66 1.11 0.00 -0.57 0.00 0.00 34.95 32.66 3a7u s ARG 73 CO 0.06 0.54 1.76 0.00 -1.08 0.00 0.00 175.30 176.58 3a7u h ARG 74 N 3.14 0.00 -6.87 3.89 3.08 -1.95 -3.13 114.38 112.55 3a7u h ARG 74 Ca -0.47 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.09 3a7u h ARG 74 Cb 1.17 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.22 3a7u h ARG 74 CO 0.64 0.00 0.15 -1.54 -1.07 0.00 0.00 179.97 178.15 3a7u s SER 75 N -4.44 6.60 0.32 7.04 1.04 -1.26 -4.79 113.70 118.21 3a7u s SER 75 Ca 0.02 1.24 0.00 0.00 0.48 0.00 0.00 55.95 57.70 3a7u s SER 75 Cb 0.09 -2.37 0.00 0.00 0.10 0.00 0.00 66.02 63.84 3a7u s SER 75 CO 0.38 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.83 3a7u n GLY 76 N -1.12 -2.42 0.00 7.32 0.00 -1.01 -1.63 105.19 106.33 3a7u n GLY 76 Ca 0.03 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.67 3a7u n GLY 76 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a7u n GLY 77 N 2.11 -1.99 0.00 -0.02 0.00 -1.26 -4.43 105.19 99.60 3a7u n GLY 77 Ca 0.00 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 43.87 3a7u n GLY 77 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a7u n GLY 78 N -0.13 3.04 3.64 -0.02 0.00 -1.26 -3.73 105.19 106.73 3a7u n GLY 78 Ca 0.00 -2.09 -0.36 0.00 0.00 0.00 0.00 46.02 43.58 3a7u n GLY 78 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a7u s THR 79 N 1.21 5.08 0.15 2.61 2.01 -1.26 -3.45 115.64 121.99 3a7u s THR 79 Ca 0.00 0.08 0.08 0.00 0.31 0.00 0.00 61.69 62.16 3a7u s THR 79 Cb 0.00 -3.34 -0.04 0.00 0.01 0.00 0.00 72.50 69.13 3a7u s THR 79 CO 0.00 0.39 -0.17 0.68 -0.69 0.00 0.00 174.62 174.83 3a7u s VAL 80 N 0.80 1.70 -0.22 3.82 -7.23 -1.05 -5.01 120.40 113.20 3a7u s VAL 80 Ca 0.06 -1.85 -0.12 0.00 -1.81 0.00 0.00 61.98 58.25 3a7u s VAL 80 Cb -0.13 -1.76 -0.05 0.00 0.56 0.00 0.00 36.38 35.00 3a7u s VAL 80 CO 0.02 -0.33 0.23 -0.47 -0.31 0.00 0.00 175.10 174.24 3a7u s TYR 81 N -2.03 3.34 0.18 2.82 5.04 -1.26 -2.35 117.35 123.09 3a7u s TYR 81 Ca 0.14 0.36 0.02 0.00 -2.44 0.00 0.00 57.07 55.14 3a7u s TYR 81 Cb -0.06 -2.33 -0.04 0.00 0.35 0.00 0.00 41.96 39.88 3a7u s TYR 81 CO 0.06 0.07 0.33 -1.01 -1.34 0.00 0.00 175.55 173.65 3a7u s HIS 82 N 1.05 3.48 0.05 4.97 3.76 -0.05 -4.98 115.29 123.58 3a7u s HIS 82 Ca 0.11 0.18 -0.03 0.00 -0.15 0.00 0.00 55.06 55.17 3a7u s HIS 82 Cb -0.14 -1.72 0.01 0.00 1.11 0.00 0.00 32.58 31.85 3a7u s HIS 82 CO 0.05 0.46 0.16 -0.40 -0.85 0.00 0.00 174.74 174.16 3a7u n ASP 83 N -0.67 -0.35 0.18 1.40 5.75 -1.24 -2.04 116.55 119.58 3a7u n ASP 83 Ca -0.06 -1.22 0.13 0.00 -0.01 0.00 0.00 54.79 53.63 3a7u n ASP 83 Cb 0.54 0.58 0.63 0.00 -1.03 0.00 0.00 41.12 41.84 3a7u n ASP 83 CO 0.00 0.00 0.00 0.24 -0.11 0.00 0.00 177.20 177.33 3a7u h MET 84 N 0.00 0.00 -0.64 0.11 2.86 -1.78 -0.45 114.93 115.03 3a7u h MET 84 Ca -0.05 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 3a7u h MET 84 Cb 0.21 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.87 3a7u h MET 84 CO 0.07 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.45 3a7u n GLY 85 N -0.76 2.07 3.36 8.32 0.00 -1.26 -4.89 105.19 112.02 3a7u n GLY 85 Ca -0.00 -0.72 -0.35 0.00 0.00 0.00 0.00 46.02 44.95 3a7u n GLY 85 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3a7u s ASN 86 N -1.04 4.45 -0.34 1.61 3.84 -0.18 -0.36 114.94 122.92 3a7u s ASN 86 Ca 0.44 -0.33 -0.14 0.00 0.21 0.00 0.00 52.86 53.04 3a7u s ASN 86 Cb 0.23 -1.76 -0.01 0.00 -0.55 0.00 0.00 41.25 39.16 3a7u s ASN 86 CO 0.30 0.01 0.32 -0.63 -2.79 0.00 0.00 177.10 174.31 3a7u s ILE 87 N 1.29 5.21 -0.13 -5.21 1.01 0.20 -4.46 121.20 119.11 3a7u s ILE 87 Ca 0.04 -0.08 -0.14 0.00 0.00 0.00 0.00 60.65 60.46 3a7u s ILE 87 Cb -0.14 -3.79 -0.05 0.00 0.01 0.00 0.00 42.46 38.49 3a7u s ILE 87 CO -0.01 -0.07 0.34 0.20 0.00 0.00 0.00 174.94 175.39 3a7u s ASN 88 N 1.73 6.54 -0.09 3.58 -0.87 -1.15 0.33 114.94 125.00 3a7u s ASN 88 Ca 0.09 0.63 0.01 0.00 -1.57 0.00 0.00 52.86 52.02 3a7u s ASN 88 Cb -0.17 -2.21 0.02 0.00 -0.02 0.00 0.00 41.25 38.88 3a7u s ASN 88 CO 0.11 0.13 -0.09 -0.76 -2.57 0.00 0.00 177.10 173.92 3a7u s LEU 89 N 0.18 1.37 -0.17 0.60 1.43 0.52 -1.62 118.68 121.00 3a7u s LEU 89 Ca 0.19 -0.29 -0.00 0.00 -1.03 0.00 0.00 54.13 53.00 3a7u s LEU 89 Cb -0.14 -0.82 0.00 0.00 0.03 0.00 0.00 46.19 45.26 3a7u s LEU 89 CO 0.06 -0.06 -0.14 -0.89 0.23 0.00 0.00 176.35 175.55 3a7u s THR 90 N 1.28 2.67 -0.65 5.49 2.01 -0.15 -1.69 115.64 124.59 3a7u s THR 90 Ca -0.03 -0.76 -0.18 0.00 0.31 0.00 0.00 61.69 61.03 3a7u s THR 90 Cb -0.14 -2.14 0.12 0.00 0.01 0.00 0.00 72.50 70.35 3a7u s THR 90 CO -0.03 0.50 0.74 -0.36 -0.69 0.00 0.00 174.62 174.78 3a7u s PHE 91 N 1.03 3.13 0.01 4.92 2.99 -0.67 -1.91 117.98 127.47 3a7u s PHE 91 Ca -0.01 -1.17 -0.25 0.00 0.00 0.00 0.00 56.93 55.51 3a7u s PHE 91 Cb -0.15 -4.00 -0.05 0.00 0.00 0.00 0.00 43.02 38.83 3a7u s PHE 91 CO -0.03 -1.25 0.75 -0.06 -0.00 0.00 0.00 175.22 174.62 3a7u s PHE 92 N 2.27 3.68 0.35 0.36 0.08 0.31 -1.71 117.98 123.34 3a7u s PHE 92 Ca 0.14 1.41 -0.15 0.00 0.12 0.00 0.00 56.93 58.45 3a7u s PHE 92 Cb -0.21 -2.82 0.04 0.00 -0.57 0.00 0.00 43.02 39.46 3a7u s PHE 92 CO 0.02 0.21 0.72 0.95 -0.10 0.00 0.00 175.22 177.03 3a7u s THR 93 N 0.24 0.00 0.54 0.64 -4.23 -0.85 -1.19 115.64 110.78 3a7u s THR 93 Ca 0.39 -1.09 -0.20 0.00 -1.18 0.00 0.00 61.69 59.60 3a7u s THR 93 Cb -0.20 -2.66 -0.06 0.00 1.34 0.00 0.00 72.50 70.93 3a7u s THR 93 CO 0.22 0.00 1.17 0.42 -0.54 0.00 0.00 174.62 175.89 3a7u s THR 94 N -2.78 2.94 0.34 3.99 -4.23 -1.26 -0.80 115.64 113.84 3a7u s THR 94 Ca 0.17 0.62 0.03 0.00 -1.18 0.00 0.00 61.69 61.33 3a7u s THR 94 Cb -0.04 -3.27 0.28 0.00 1.34 0.00 0.00 72.50 70.81 3a7u s THR 94 CO 0.12 -0.10 1.95 0.50 -0.54 0.00 0.00 174.62 176.55 3a7u h LYS 95 N 1.31 0.86 -0.63 3.99 3.64 0.29 -1.61 116.57 124.43 3a7u h LYS 95 Ca -0.50 -0.05 0.09 0.00 -1.27 0.00 0.00 60.65 58.92 3a7u h LYS 95 Cb 1.27 -0.19 -0.07 0.00 -0.41 0.00 0.00 32.23 32.83 3a7u h LYS 95 CO 0.57 0.57 0.27 -0.22 -2.27 0.00 0.00 179.45 178.37 3a7u h LYS 96 N 0.89 0.46 -3.14 1.90 3.11 -1.92 -3.22 116.57 114.65 3a7u h LYS 96 Ca 0.32 -0.03 -0.69 0.00 -2.81 0.00 0.00 60.65 57.44 3a7u h LYS 96 Cb 0.15 -0.10 -0.36 0.00 -1.00 0.00 0.00 32.23 30.92 3a7u h LYS 96 CO -0.10 0.31 -0.12 1.63 -2.81 0.00 0.00 179.45 178.35 3a7u n LYS 97 N -4.94 2.70 -4.57 1.90 5.02 -0.61 -5.01 118.16 112.65 3a7u n LYS 97 Ca 0.09 -4.51 -0.33 0.00 -2.02 0.00 0.00 58.31 51.54 3a7u n LYS 97 Cb 0.26 -2.39 -0.16 0.00 -0.02 0.00 0.00 35.03 32.72 3a7u n LYS 97 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 3a7u s TYR 98 N -1.62 2.70 -0.44 2.13 5.04 -1.22 -4.25 117.35 119.68 3a7u s TYR 98 Ca 0.29 -1.38 0.06 0.00 -2.44 0.00 0.00 57.07 53.60 3a7u s TYR 98 Cb -0.03 -1.84 0.21 0.00 0.35 0.00 0.00 41.96 40.65 3a7u s TYR 98 CO -0.10 -0.64 0.58 -3.47 -1.34 0.00 0.00 175.55 170.58 3a7u n ASP 99 N 4.17 -1.45 -0.30 4.32 -0.08 -1.26 -4.99 116.55 116.95 3a7u n ASP 99 Ca -0.20 -2.77 0.08 0.00 -1.51 0.00 0.00 54.79 50.39 3a7u n ASP 99 Cb 0.51 0.41 0.17 0.00 2.34 0.00 0.00 41.12 44.55 3a7u n ASP 99 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3a7u n ARG 100 N 2.24 -0.07 0.42 -0.67 1.74 -1.26 -0.47 116.66 118.58 3a7u n ARG 100 Ca 0.21 1.28 -0.19 0.00 -0.77 0.00 0.00 57.85 58.38 3a7u n ARG 100 Cb 0.54 -1.96 -0.09 0.00 -1.02 0.00 0.00 32.46 29.93 3a7u n ARG 100 CO 0.00 0.00 0.00 1.98 -1.52 0.00 0.00 177.63 178.09 3a7u h MET 101 N 0.00 -1.05 -0.98 5.56 4.05 -1.99 -1.44 114.93 119.08 3a7u h MET 101 Ca 0.44 0.07 0.40 0.00 -0.28 0.00 0.00 59.70 60.34 3a7u h MET 101 Cb 0.79 0.24 -0.18 0.00 -0.80 0.00 0.00 31.60 31.65 3a7u h MET 101 CO -0.83 -0.70 0.49 -1.91 0.23 0.00 0.00 176.91 174.19 3a7u n GLU 102 N -5.56 -0.06 -0.03 0.39 2.13 0.38 0.57 120.64 118.46 3a7u n GLU 102 Ca -0.15 1.36 -0.13 0.00 0.66 0.00 0.00 57.16 58.91 3a7u n GLU 102 Cb 0.44 -2.43 -0.08 0.00 0.27 0.00 0.00 31.44 29.64 3a7u n GLU 102 CO 0.00 0.00 0.00 -0.91 -0.41 0.00 0.00 177.13 175.81 3a7u h ASN 103 N 0.00 0.13 -0.54 4.31 2.35 -0.84 -1.07 115.58 119.92 3a7u h ASN 103 Ca 0.81 -0.43 0.01 0.00 -0.55 0.00 0.00 56.30 56.14 3a7u h ASN 103 Cb 2.13 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 40.43 3a7u h ASN 103 CO -0.77 0.53 0.36 -0.07 -1.65 0.00 0.00 177.43 175.83 3a7u h LEU 104 N -0.26 0.62 -0.13 1.61 3.38 0.11 -1.40 115.31 119.24 3a7u h LEU 104 Ca 0.01 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3a7u h LEU 104 Cb 0.48 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3a7u h LEU 104 CO 0.01 0.45 0.01 0.11 0.09 0.00 0.00 178.44 179.11 3a7u h LYS 105 N 0.73 0.06 -0.86 1.13 1.57 -0.91 -1.61 116.57 116.68 3a7u h LYS 105 Ca 0.20 -0.00 0.22 0.00 -1.87 0.00 0.00 60.65 59.20 3a7u h LYS 105 Cb -0.08 -0.01 -0.13 0.00 0.08 0.00 0.00 32.23 32.08 3a7u h LYS 105 CO -0.05 0.04 0.25 1.25 -0.57 0.00 0.00 179.45 180.38 3a7u h LEU 106 N 0.06 0.06 -0.89 2.94 6.46 -0.56 0.19 115.31 123.57 3a7u h LEU 106 Ca 0.06 0.18 -0.11 0.00 -0.12 0.00 0.00 57.88 57.89 3a7u h LEU 106 Cb 0.06 0.24 -0.01 0.00 -0.73 0.00 0.00 40.66 40.21 3a7u h LEU 106 CO -0.09 -0.11 -0.44 0.58 -0.62 0.00 0.00 178.44 177.76 3a7u h VAL 107 N 0.25 1.32 -0.46 1.05 2.07 -0.36 -1.72 116.25 118.40 3a7u h VAL 107 Ca 0.53 -1.59 -0.08 0.00 0.82 0.00 0.00 66.70 66.38 3a7u h VAL 107 Cb 1.05 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 32.53 3a7u h VAL 107 CO -0.62 0.47 -0.04 0.58 0.02 0.00 0.00 177.57 177.99 3a7u h VAL 108 N 0.21 1.27 0.69 2.57 2.07 0.12 0.28 116.25 123.46 3a7u h VAL 108 Ca 0.02 -1.13 -0.03 0.00 0.82 0.00 0.00 66.70 66.38 3a7u h VAL 108 Cb 0.86 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 31.70 3a7u h VAL 108 CO 0.07 0.39 -0.44 0.03 0.02 0.00 0.00 177.57 177.63 3a7u h ARG 109 N 0.68 -1.03 -0.91 1.57 3.08 -1.13 0.15 114.38 116.78 3a7u h ARG 109 Ca 0.12 0.07 0.17 0.00 0.07 0.00 0.00 59.98 60.42 3a7u h ARG 109 Cb 0.56 0.23 -0.17 0.00 0.08 0.00 0.00 29.97 30.68 3a7u h ARG 109 CO 0.03 -0.69 -0.25 0.00 -1.07 0.00 0.00 179.97 177.99 3a7u n ALA 110 N -2.67 0.15 0.12 0.04 0.00 -0.66 -0.53 120.51 116.95 3a7u n ALA 110 Ca -0.13 0.98 -0.14 0.00 0.00 0.00 0.00 53.44 54.16 3a7u n ALA 110 Cb 0.45 -0.56 -0.08 0.00 0.00 0.00 0.00 19.45 19.26 3a7u n ALA 110 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3a7u h LEU 111 N 0.00 -0.20 -1.30 0.00 3.38 0.41 -2.99 115.31 114.60 3a7u h LEU 111 Ca 0.41 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.26 3a7u h LEU 111 Cb 0.64 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 3a7u h LEU 111 CO -0.93 -0.08 -0.34 0.11 0.09 0.00 0.00 178.44 177.29 3a7u h LYS 112 N -0.31 0.00 0.00 1.13 1.57 0.11 -1.01 116.57 118.07 3a7u h LYS 112 Ca -0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3a7u h LYS 112 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3a7u h LYS 112 CO 0.04 0.34 0.00 0.00 -0.57 0.00 0.00 179.45 179.26 3a7u n ALA 113 N -2.42 1.59 0.00 3.86 0.00 0.31 -2.38 120.51 121.47 3a7u n ALA 113 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3a7u n ALA 113 Cb 0.40 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.81 3a7u n ALA 113 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3a7u n VAL 114 N -0.91 0.00 -3.56 0.00 0.31 -0.46 -4.89 118.33 108.81 3a7u n VAL 114 Ca 0.02 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.06 3a7u n VAL 114 Cb 0.01 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 32.82 3a7u n VAL 114 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 3a7u s HIS 115 N -0.78 1.49 0.14 3.52 5.65 -0.76 -5.05 115.29 119.49 3a7u s HIS 115 Ca 0.00 -2.23 -0.33 0.00 0.25 0.00 0.00 55.06 52.75 3a7u s HIS 115 Cb 0.00 -1.39 -0.17 0.00 -1.18 0.00 0.00 32.58 29.84 3a7u s HIS 115 CO 0.00 -0.79 0.91 -2.30 -0.65 0.00 0.00 174.74 171.91 3a7u n PRO 116 N 3.35 0.44 -3.68 2.88 -0.02 -1.00 -2.28 135.00 134.69 3a7u n PRO 116 Ca 0.17 0.16 -0.28 0.00 -2.02 0.00 0.00 63.50 61.52 3a7u n PRO 116 Cb 0.39 -1.48 0.01 0.00 -0.02 0.00 0.00 33.50 32.40 3a7u n PRO 116 CO 0.00 0.00 0.00 0.72 1.98 0.00 0.00 175.50 178.20 3a7u n HIS 117 N 0.92 -2.28 -4.27 6.00 8.25 -1.26 -4.97 115.22 117.60 3a7u n HIS 117 Ca 0.17 0.94 -0.35 0.00 -0.26 0.00 0.00 57.72 58.22 3a7u n HIS 117 Cb 0.20 -2.51 -0.09 0.00 1.12 0.00 0.00 29.99 28.72 3a7u n HIS 117 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 3a7u s LEU 118 N -4.14 3.73 -1.32 2.41 2.96 -0.97 -5.02 118.68 116.33 3a7u s LEU 118 Ca 0.12 0.20 -0.16 0.00 -0.22 0.00 0.00 54.13 54.07 3a7u s LEU 118 Cb -0.01 -1.87 0.02 0.00 0.50 0.00 0.00 46.19 44.83 3a7u s LEU 118 CO 0.89 0.37 2.05 -0.67 -1.32 0.00 0.00 176.35 177.67 3a7u n ASP 119 N 2.18 3.95 -4.10 3.68 2.03 -1.26 -4.88 116.55 118.15 3a7u n ASP 119 Ca -0.19 -2.83 -0.21 0.00 0.52 0.00 0.00 54.79 52.07 3a7u n ASP 119 Cb 0.54 -1.62 -0.15 0.00 -0.72 0.00 0.00 41.12 39.17 3a7u n ASP 119 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3a7u s VAL 120 N 4.08 1.06 0.15 5.18 1.01 -1.26 -0.28 120.40 130.33 3a7u s VAL 120 Ca 0.51 -0.64 -0.24 0.00 0.00 0.00 0.00 61.98 61.61 3a7u s VAL 120 Cb 0.11 -0.89 0.06 0.00 0.00 0.00 0.00 36.38 35.66 3a7u s VAL 120 CO -0.01 0.25 0.78 0.00 0.00 0.00 0.00 175.10 176.11 3a7u s GLN 121 N -0.45 1.28 1.08 2.72 0.00 -1.17 -5.02 119.66 118.10 3a7u s GLN 121 Ca 0.05 -0.60 -0.12 0.00 -0.00 0.00 0.00 55.36 54.69 3a7u s GLN 121 Cb -0.06 0.51 0.24 0.00 0.00 0.00 0.00 33.01 33.70 3a7u s GLN 121 CO -0.00 -0.57 1.06 0.00 0.00 0.00 0.00 175.29 175.78 3a7u s ALA 122 N -3.54 0.18 0.00 2.60 0.00 -1.26 -2.79 121.76 116.95 3a7u s ALA 122 Ca 0.07 0.04 0.00 0.00 0.00 0.00 0.00 51.96 52.07 3a7u s ALA 122 Cb -0.02 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.81 3a7u s ALA 122 CO -0.04 -3.45 0.00 0.25 0.00 0.00 0.00 175.76 172.52 3a7u n THR 123 N -4.66 0.00 0.07 0.00 -2.24 -1.09 -4.80 114.28 101.55 3a7u n THR 123 Ca 0.05 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.71 3a7u n THR 123 Cb 0.54 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.68 3a7u n THR 123 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3a7u h LYS 124 N 0.00 -0.21 -1.08 -0.78 1.57 -1.97 -3.31 116.57 110.78 3a7u h LYS 124 Ca 0.00 0.01 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 3a7u h LYS 124 Cb 0.00 0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.31 3a7u h LYS 124 CO 0.00 0.19 0.10 2.89 -0.57 0.00 0.00 179.45 182.07 3a7u n ARG 125 N -4.98 1.20 -3.06 3.15 0.00 -1.26 -4.84 116.66 106.87 3a7u n ARG 125 Ca -0.09 -0.47 -0.17 0.00 -0.00 0.00 0.00 57.85 57.13 3a7u n ARG 125 Cb 0.26 -1.18 -0.01 0.00 -0.00 0.00 0.00 32.46 31.53 3a7u n ARG 125 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 3a7u n PHE 126 N 0.33 -1.69 -4.09 2.89 3.72 -1.25 -4.89 117.46 112.48 3a7u n PHE 126 Ca 0.09 0.27 -0.19 0.00 -0.05 0.00 0.00 57.45 57.57 3a7u n PHE 126 Cb 0.67 -2.30 -0.02 0.00 -0.94 0.00 0.00 39.48 36.89 3a7u n PHE 126 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 3a7u n ASP 127 N -2.00 2.49 -3.97 4.37 3.85 -1.26 -4.41 116.55 115.61 3a7u n ASP 127 Ca -0.03 -2.32 -0.31 0.00 -0.71 0.00 0.00 54.79 51.43 3a7u n ASP 127 Cb 0.54 0.09 -0.15 0.00 -1.35 0.00 0.00 41.12 40.25 3a7u n ASP 127 CO 0.00 0.00 0.00 -0.76 -1.01 0.00 0.00 177.20 175.43 3a7u s LEU 128 N 0.00 2.78 -0.22 -2.12 1.43 -1.25 -2.68 118.68 116.61 3a7u s LEU 128 Ca 0.11 -1.22 -0.29 0.00 -1.03 0.00 0.00 54.13 51.69 3a7u s LEU 128 Cb -0.01 -1.27 0.01 0.00 0.03 0.00 0.00 46.19 44.94 3a7u s LEU 128 CO 0.07 -0.22 1.08 -0.76 0.23 0.00 0.00 176.35 176.75 3a7u s LEU 129 N 1.32 4.11 -0.32 1.79 1.43 -1.12 -1.98 118.68 123.91 3a7u s LEU 129 Ca -0.06 1.42 -0.19 0.00 -1.03 0.00 0.00 54.13 54.26 3a7u s LEU 129 Cb -0.19 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.48 3a7u s LEU 129 CO -0.06 -0.70 0.56 -0.22 0.23 0.00 0.00 176.35 176.16 3a7u s LEU 130 N 3.28 4.22 -1.39 1.79 2.96 0.85 -3.05 118.68 127.35 3a7u s LEU 130 Ca 0.46 0.22 -0.01 0.00 -0.22 0.00 0.00 54.13 54.58 3a7u s LEU 130 Cb -0.16 -2.69 0.00 0.00 0.50 0.00 0.00 46.19 43.84 3a7u s LEU 130 CO 0.08 -0.46 0.10 0.47 -1.32 0.00 0.00 176.35 175.22 3a7u n ASP 131 N 5.79 -4.98 0.00 3.68 8.00 0.62 -2.49 116.55 127.16 3a7u n ASP 131 Ca -0.03 -0.06 0.00 0.00 0.71 0.00 0.00 54.79 55.41 3a7u n ASP 131 Cb 0.49 -4.03 0.00 0.00 -0.02 0.00 0.00 41.12 37.56 3a7u n ASP 131 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3a7u n GLY 132 N -1.09 0.69 0.00 0.44 0.00 -1.26 -4.70 105.19 99.28 3a7u n GLY 132 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3a7u n GLY 132 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3a7u n GLN 133 N -1.81 0.00 -1.65 1.61 6.02 -1.04 -5.01 117.38 115.50 3a7u n GLN 133 Ca 0.00 0.00 -0.46 0.00 -0.01 0.00 0.00 57.00 56.53 3a7u n GLN 133 Cb 0.00 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.22 3a7u n GLN 133 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3a7u n PHE 134 N 0.00 2.07 -3.21 1.08 3.72 -1.09 -4.66 117.46 115.37 3a7u n PHE 134 Ca 0.00 0.40 -0.34 0.00 -0.05 0.00 0.00 57.45 57.46 3a7u n PHE 134 Cb 0.00 -2.47 -0.06 0.00 -0.94 0.00 0.00 39.48 36.01 3a7u n PHE 134 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 3a7u s LYS 135 N 0.30 4.06 -0.00 -1.08 2.20 -1.26 -0.10 119.74 123.85 3a7u s LYS 135 Ca 0.75 0.65 0.00 0.00 -0.36 0.00 0.00 55.97 57.01 3a7u s LYS 135 Cb -0.72 -2.73 0.01 0.00 -1.51 0.00 0.00 37.83 32.88 3a7u s LYS 135 CO 0.44 0.33 0.73 0.44 -0.36 0.00 0.00 175.35 176.94 3a7u n ILE 136 N 0.31 0.07 -3.66 5.43 -5.35 -0.84 -4.52 119.36 110.81 3a7u n ILE 136 Ca -0.01 -0.08 -0.11 0.00 -0.27 0.00 0.00 62.75 62.27 3a7u n ILE 136 Cb 0.52 0.76 -0.08 0.00 -1.74 0.00 0.00 39.64 39.10 3a7u n ILE 136 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3a7u s SER 137 N -0.50 -0.74 0.22 7.28 0.15 -1.26 -1.21 113.70 117.64 3a7u s SER 137 Ca 0.01 1.32 0.10 0.00 0.70 0.00 0.00 55.95 58.07 3a7u s SER 137 Cb 0.01 1.27 -0.04 0.00 -1.71 0.00 0.00 66.02 65.55 3a7u s SER 137 CO 0.00 -0.22 -0.10 -0.83 1.20 0.00 0.00 173.24 173.28 3a7u s GLY 138 N 0.84 1.73 0.32 9.45 0.00 -0.97 -3.86 107.32 114.83 3a7u s GLY 138 Ca -0.04 -1.59 0.09 0.00 0.00 0.00 0.00 44.72 43.18 3a7u s GLY 138 CO -0.07 -1.63 0.05 -1.59 0.00 0.00 0.00 173.10 169.86 3a7u s THR 139 N -1.97 3.03 -0.19 0.90 2.01 -1.26 -1.72 115.64 116.44 3a7u s THR 139 Ca 0.27 -1.86 -0.31 0.00 0.31 0.00 0.00 61.69 60.10 3a7u s THR 139 Cb -0.08 -2.87 0.15 0.00 0.01 0.00 0.00 72.50 69.71 3a7u s THR 139 CO 0.16 -0.25 1.13 0.00 -0.69 0.00 0.00 174.62 174.97 3a7u s ALA 140 N -2.42 -2.00 0.24 7.40 0.00 -1.02 -4.61 121.76 119.35 3a7u s ALA 140 Ca 0.35 1.63 -0.10 0.00 0.00 0.00 0.00 51.96 53.84 3a7u s ALA 140 Cb -0.03 -0.73 -0.01 0.00 0.00 0.00 0.00 23.12 22.34 3a7u s ALA 140 CO 0.21 -0.38 0.40 -1.12 0.00 0.00 0.00 175.76 174.87 3a7u s SER 141 N -1.40 0.00 -0.29 0.00 0.01 -1.26 -0.60 113.70 110.15 3a7u s SER 141 Ca 0.04 -1.06 -0.13 0.00 1.31 0.00 0.00 55.95 56.11 3a7u s SER 141 Cb -0.01 0.54 0.12 0.00 0.21 0.00 0.00 66.02 66.88 3a7u s SER 141 CO -0.03 -1.08 0.70 -0.75 0.41 0.00 0.00 173.24 172.50 3a7u s LYS 142 N -4.01 0.60 -0.18 12.44 2.47 -0.99 -2.42 119.74 127.65 3a7u s LYS 142 Ca 0.27 1.29 0.01 0.00 -1.56 0.00 0.00 55.97 55.97 3a7u s LYS 142 Cb 0.01 0.55 0.03 0.00 -1.46 0.00 0.00 37.83 36.96 3a7u s LYS 142 CO 0.10 -0.17 -0.17 0.42 0.16 0.00 0.00 175.35 175.69 3a7u s ILE 143 N 2.35 1.91 0.00 5.43 1.01 -1.26 -1.56 121.20 129.07 3a7u s ILE 143 Ca -0.07 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.65 3a7u s ILE 143 Cb -0.09 -1.78 0.00 0.00 0.01 0.00 0.00 42.46 40.60 3a7u s ILE 143 CO -0.19 0.44 0.00 0.61 0.00 0.00 0.00 174.94 175.80 3a7u n GLY 144 N 4.65 0.65 0.13 6.18 0.00 0.09 -5.01 105.19 111.87 3a7u n GLY 144 Ca -0.19 -1.85 0.08 0.00 0.00 0.00 0.00 46.02 44.06 3a7u n GLY 144 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3a7u h ARG 145 N 0.00 0.00 0.00 1.61 2.43 -2.00 -3.41 114.38 113.02 3a7u h ARG 145 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3a7u h ARG 145 Cb 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3a7u h ARG 145 CO 0.00 0.12 -0.58 0.09 -1.51 0.00 0.00 179.97 178.09 3a7u n ASN 146 N -2.84 2.92 -4.18 -3.80 4.13 -1.26 -4.93 115.26 105.30 3a7u n ASN 146 Ca -0.02 0.00 -0.14 0.00 1.68 0.00 0.00 54.58 56.10 3a7u n ASN 146 Cb 0.64 0.44 -0.11 0.00 -1.54 0.00 0.00 39.78 39.21 3a7u n ASN 146 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3a7u s ALA 147 N -1.38 1.13 -0.03 5.41 0.00 -1.26 0.89 121.76 126.51 3a7u s ALA 147 Ca 0.00 -1.23 -0.08 0.00 0.00 0.00 0.00 51.96 50.65 3a7u s ALA 147 Cb 0.00 0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.18 3a7u s ALA 147 CO 0.00 -0.06 0.18 0.00 0.00 0.00 0.00 175.76 175.88 3a7u s ALA 148 N -2.64 -0.45 -0.11 0.00 0.00 0.02 -0.73 121.76 117.86 3a7u s ALA 148 Ca 0.07 0.23 0.01 0.00 0.00 0.00 0.00 51.96 52.27 3a7u s ALA 148 Cb -0.02 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.03 3a7u s ALA 148 CO -0.00 -0.16 -0.13 1.52 0.00 0.00 0.00 175.76 176.99 3a7u s TYR 149 N -0.68 1.81 -0.58 0.00 1.13 -0.60 -2.01 117.35 116.42 3a7u s TYR 149 Ca -0.08 -0.87 -0.17 0.00 -1.41 0.00 0.00 57.07 54.54 3a7u s TYR 149 Cb -0.04 -1.35 0.12 0.00 -1.10 0.00 0.00 41.96 39.59 3a7u s TYR 149 CO 0.01 -0.49 0.59 -1.58 -2.51 0.00 0.00 175.55 171.58 3a7u s HIS 150 N 1.19 3.18 0.73 -3.49 2.46 -0.69 -2.34 115.29 116.33 3a7u s HIS 150 Ca -0.03 -1.21 -0.11 0.00 0.47 0.00 0.00 55.06 54.17 3a7u s HIS 150 Cb -0.14 -3.88 0.03 0.00 -0.13 0.00 0.00 32.58 28.45 3a7u s HIS 150 CO -0.04 -1.12 1.10 -1.58 -2.47 0.00 0.00 174.74 170.63 3a7u s HIS 151 N 1.92 3.22 -0.28 3.88 5.04 0.23 -1.68 115.29 127.62 3a7u s HIS 151 Ca 0.07 1.05 -0.27 0.00 -1.54 0.00 0.00 55.06 54.37 3a7u s HIS 151 Cb -0.27 -3.10 0.19 0.00 0.04 0.00 0.00 32.58 29.44 3a7u s HIS 151 CO 0.03 -1.31 1.37 0.00 -2.34 0.00 0.00 174.74 172.49 3a7u s THR 153 N -0.49 2.05 -0.04 0.00 -4.23 -0.70 -0.35 115.64 111.88 3a7u s THR 153 Ca 0.07 -1.61 0.03 0.00 -1.18 0.00 0.00 61.69 59.00 3a7u s THR 153 Cb -0.03 -1.82 -0.00 0.00 1.34 0.00 0.00 72.50 71.99 3a7u s THR 153 CO -0.11 0.09 -0.13 -0.22 -0.54 0.00 0.00 174.62 173.71 3a7u s LEU 154 N -1.85 1.85 -0.80 4.79 2.96 0.15 -2.30 118.68 123.48 3a7u s LEU 154 Ca 0.11 -0.28 -0.13 0.00 -0.22 0.00 0.00 54.13 53.61 3a7u s LEU 154 Cb -0.10 -0.78 0.21 0.00 0.50 0.00 0.00 46.19 46.02 3a7u s LEU 154 CO 0.05 0.11 0.74 -0.76 -1.32 0.00 0.00 176.35 175.17 3a7u s LEU 155 N 0.12 6.65 -0.15 -0.68 1.43 -0.35 0.58 118.68 126.27 3a7u s LEU 155 Ca -0.04 -2.67 -0.14 0.00 -1.03 0.00 0.00 54.13 50.26 3a7u s LEU 155 Cb -0.10 -2.19 -0.24 0.00 0.03 0.00 0.00 46.19 43.69 3a7u s LEU 155 CO 0.01 -0.57 0.34 0.00 0.23 0.00 0.00 176.35 176.36 3a7u n GLY 157 N 1.73 -2.11 3.76 0.00 0.00 0.52 -1.11 105.19 107.98 3a7u n GLY 157 Ca -0.31 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 3a7u n GLY 157 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a7u s THR 158 N 0.00 2.87 -0.50 2.61 2.01 -1.15 -4.54 115.64 116.94 3a7u s THR 158 Ca 0.00 0.59 -0.21 0.00 0.31 0.00 0.00 61.69 62.38 3a7u s THR 158 Cb 0.00 -3.26 0.05 0.00 0.01 0.00 0.00 72.50 69.29 3a7u s THR 158 CO 0.00 -0.08 0.71 -0.62 -0.69 0.00 0.00 174.62 173.95 3a7u s ASP 159 N -1.51 6.28 0.41 3.53 -1.08 -1.26 -4.74 116.67 118.29 3a7u s ASP 159 Ca 0.71 -0.62 0.08 0.00 -0.52 0.00 0.00 52.55 52.21 3a7u s ASP 159 Cb -0.29 -2.34 0.86 0.00 -1.46 0.00 0.00 42.92 39.70 3a7u s ASP 159 CO 0.33 -0.95 2.02 1.23 0.52 0.00 0.00 175.17 178.32 3a7u h GLY 160 N 10.04 0.45 0.53 2.66 0.00 -1.95 0.62 103.07 115.43 3a7u h GLY 160 Ca -0.27 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 3a7u h GLY 160 CO 0.98 0.19 -0.07 -0.91 0.00 0.00 0.00 176.54 176.73 3a7u h THR 161 N 0.43 1.43 0.00 4.70 1.35 -1.98 1.88 112.91 120.72 3a7u h THR 161 Ca 0.11 -1.38 -0.03 0.00 -0.55 0.00 0.00 66.41 64.56 3a7u h THR 161 Cb 0.07 2.26 -0.00 0.00 -1.73 0.00 0.00 68.15 68.74 3a7u h THR 161 CO -0.01 0.37 -0.14 0.15 -0.25 0.00 0.00 175.52 175.64 3a7u h PHE 162 N -0.40 0.00 0.28 4.73 3.57 -1.95 -2.61 116.94 120.56 3a7u h PHE 162 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 3a7u h PHE 162 Cb 0.64 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.39 3a7u h PHE 162 CO 0.12 0.14 -0.14 1.25 -2.23 0.00 0.00 178.31 177.45 3a7u h LEU 163 N 0.00 -0.32 -0.36 0.59 6.46 -0.70 -3.32 115.31 117.65 3a7u h LEU 163 Ca -0.00 0.01 0.13 0.00 -0.12 0.00 0.00 57.88 57.90 3a7u h LEU 163 Cb 0.45 0.08 -0.07 0.00 -0.73 0.00 0.00 40.66 40.40 3a7u h LEU 163 CO 0.02 0.13 0.13 -0.24 -0.62 0.00 0.00 178.44 177.86 3a7u n SER 164 N -5.03 0.07 0.21 1.25 2.88 0.64 0.12 113.62 113.76 3a7u n SER 164 Ca -0.05 0.60 0.18 0.00 -1.33 0.00 0.00 58.87 58.27 3a7u n SER 164 Cb 0.15 -0.27 0.84 0.00 -0.75 0.00 0.00 64.21 64.19 3a7u n SER 164 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 3a7u h SER 165 N 0.00 0.00 -2.40 -3.46 4.64 -1.63 -3.27 113.55 107.43 3a7u h SER 165 Ca 0.27 0.00 -0.69 0.00 -0.47 0.00 0.00 61.79 60.91 3a7u h SER 165 Cb 0.68 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 62.41 3a7u h SER 165 CO -0.30 0.00 0.02 0.18 -0.87 0.00 0.00 176.83 175.86 3a7u n LEU 166 N -3.66 5.24 -0.01 5.97 4.77 0.33 -4.72 117.00 124.91 3a7u n LEU 166 Ca 0.02 -5.44 -0.01 0.00 -0.03 0.00 0.00 56.01 50.55 3a7u n LEU 166 Cb 0.35 -0.88 -0.02 0.00 -2.33 0.00 0.00 43.42 40.54 3a7u n LEU 166 CO 0.26 2.04 -0.57 0.18 -1.33 0.00 0.00 177.39 177.97 3a7u n LEU 167 N 0.53 0.00 0.00 2.23 4.77 -1.23 -4.65 117.00 118.65 3a7u n LEU 167 Ca 0.32 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 3a7u n LEU 167 Cb 0.36 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 3a7u n LEU 167 CO 0.49 0.04 0.00 1.17 -1.33 0.00 0.00 177.39 177.77 3a7u n LYS 168 N -1.95 0.00 -4.13 3.23 4.81 -1.16 -4.82 118.16 114.14 3a7u n LYS 168 Ca -0.03 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.12 3a7u n LYS 168 Cb 0.44 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.41 3a7u n LYS 168 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 3a7u s LYS 187 N 0.00 2.58 0.37 1.64 2.36 -1.26 -4.35 119.74 121.08 3a7u s LYS 187 Ca 0.00 -0.88 -0.01 0.00 -2.55 0.00 0.00 55.97 52.53 3a7u s LYS 187 Cb 0.00 -2.53 0.08 0.00 -1.05 0.00 0.00 37.83 34.32 3a7u s LYS 187 CO 0.00 0.52 0.51 -1.71 1.55 0.00 0.00 175.35 176.22 3a7u n ASN 188 N 0.35 0.59 -0.08 1.43 4.05 -1.26 -4.77 115.26 115.57 3a7u n ASN 188 Ca -0.10 -1.52 -0.07 0.00 0.45 0.00 0.00 54.58 53.34 3a7u n ASN 188 Cb 0.53 -0.34 -0.02 0.00 1.23 0.00 0.00 39.78 41.17 3a7u n ASN 188 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 3a7u n LEU 189 N 0.00 1.87 -0.16 1.20 4.77 -1.05 -4.42 117.00 119.20 3a7u n LEU 189 Ca 0.08 0.49 0.15 0.00 -0.03 0.00 0.00 56.01 56.70 3a7u n LEU 189 Cb 0.29 -0.81 0.49 0.00 -2.33 0.00 0.00 43.42 41.06 3a7u n LEU 189 CO 0.20 -0.36 1.21 0.24 -1.33 0.00 0.00 177.39 177.34 3a7u h MET 190 N -1.00 0.42 -0.02 3.23 2.86 -1.33 0.34 114.93 119.43 3a7u h MET 190 Ca -0.01 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3a7u h MET 190 Cb 0.76 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.32 3a7u h MET 190 CO -0.01 0.28 0.00 0.39 1.06 0.00 0.00 176.91 178.63 3a7u n GLU 191 N -4.48 0.03 0.00 1.72 1.02 -1.26 -0.29 120.64 117.38 3a7u n GLU 191 Ca 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 3a7u n GLU 191 Cb 0.50 -1.01 0.00 0.00 -0.02 0.00 0.00 31.44 30.91 3a7u n GLU 191 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 3a7u n LYS 192 N 0.09 0.46 -3.13 3.49 3.00 0.11 -4.92 118.16 117.26 3a7u n LYS 192 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 58.31 58.32 3a7u n LYS 192 Cb 0.00 -0.52 -0.01 0.00 0.00 0.00 0.00 35.03 34.51 3a7u n LYS 192 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 3a7u s ASP 193 N -1.03 -1.33 0.26 3.14 2.15 0.60 -5.07 116.67 115.40 3a7u s ASP 193 Ca 0.00 -0.58 -0.03 0.00 0.43 0.00 0.00 52.55 52.37 3a7u s ASP 193 Cb 0.00 1.71 0.55 0.00 -0.30 0.00 0.00 42.92 44.88 3a7u s ASP 193 CO 0.00 -0.16 1.40 -2.65 -0.17 0.00 0.00 175.17 173.59 3a7u n PRO 194 N 4.40 -0.08 0.00 4.34 -0.02 -1.08 0.45 135.00 143.01 3a7u n PRO 194 Ca 0.10 1.37 0.00 0.00 -2.02 0.00 0.00 63.50 62.94 3a7u n PRO 194 Cb 0.58 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 3a7u n PRO 194 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3a7u n THR 195 N -5.38 0.02 0.10 3.45 -2.24 -1.26 -3.33 114.28 105.63 3a7u n THR 195 Ca 0.18 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.91 3a7u n THR 195 Cb 0.57 -0.39 0.12 0.00 -2.10 0.00 0.00 70.33 68.53 3a7u n THR 195 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3a7u n LEU 196 N 0.14 3.97 -4.50 3.22 4.77 0.17 -4.88 117.00 119.88 3a7u n LEU 196 Ca 0.00 -2.05 -0.53 0.00 -0.03 0.00 0.00 56.01 53.40 3a7u n LEU 196 Cb 0.19 -0.62 -0.06 0.00 -2.33 0.00 0.00 43.42 40.61 3a7u n LEU 196 CO 0.00 0.60 0.50 0.35 -1.33 0.00 0.00 177.39 177.52 3a7u n THR 197 N -0.01 0.68 -0.32 -5.08 -2.24 -1.21 -4.58 114.28 101.52 3a7u n THR 197 Ca 0.20 -0.17 -0.08 0.00 -2.27 0.00 0.00 64.05 61.73 3a7u n THR 197 Cb 0.86 -0.28 -0.05 0.00 -2.10 0.00 0.00 70.33 68.76 3a7u n THR 197 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a7u n GLU 199 N -5.36 -0.08 0.19 0.00 4.71 -1.26 0.14 120.64 118.98 3a7u n GLU 199 Ca 0.03 1.45 -0.15 0.00 -0.01 0.00 0.00 57.16 58.49 3a7u n GLU 199 Cb 0.33 -2.28 -0.07 0.00 -1.01 0.00 0.00 31.44 28.40 3a7u n GLU 199 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3a7u h VAL 200 N 0.00 0.35 -0.32 2.62 2.07 -0.63 -1.63 116.25 118.71 3a7u h VAL 200 Ca 0.56 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 68.05 3a7u h VAL 200 Cb 1.11 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 3a7u h VAL 200 CO -0.92 0.00 0.08 0.58 0.02 0.00 0.00 177.57 177.32 3a7u h VAL 201 N -0.63 1.15 -0.41 2.57 2.07 0.13 -0.43 116.25 120.71 3a7u h VAL 201 Ca -0.01 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 66.95 3a7u h VAL 201 Cb 0.59 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 3a7u h VAL 201 CO -0.08 0.19 0.18 0.40 0.02 0.00 0.00 177.57 178.28 3a7u h ILE 202 N 0.46 1.19 0.75 4.57 2.04 0.16 -0.79 117.51 125.87 3a7u h ILE 202 Ca 0.11 -0.55 -0.04 0.00 1.00 0.00 0.00 64.86 65.38 3a7u h ILE 202 Cb 0.18 0.80 0.01 0.00 -0.74 0.00 0.00 36.82 37.07 3a7u h ILE 202 CO -0.00 0.20 -0.36 0.78 0.00 0.00 0.00 178.15 178.77 3a7u h ASN 203 N 0.51 -0.85 -0.85 1.72 -0.26 -0.81 -1.12 115.58 113.93 3a7u h ASN 203 Ca 0.14 0.03 0.17 0.00 -0.56 0.00 0.00 56.30 56.07 3a7u h ASN 203 Cb 0.15 0.22 -0.16 0.00 -1.06 0.00 0.00 38.32 37.47 3a7u h ASN 203 CO -0.01 -0.52 -0.22 0.00 -1.06 0.00 0.00 177.43 175.61 3a7u n ALA 204 N -2.63 0.18 0.29 -0.83 0.00 -0.21 0.10 120.51 117.42 3a7u n ALA 204 Ca -0.12 0.92 -0.12 0.00 0.00 0.00 0.00 53.44 54.13 3a7u n ALA 204 Cb 0.40 -0.55 -0.05 0.00 0.00 0.00 0.00 19.45 19.24 3a7u n ALA 204 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3a7u h VAL 205 N 0.00 0.00 -0.84 0.00 2.07 -1.09 -1.30 116.25 115.09 3a7u h VAL 205 Ca 0.40 -0.06 0.20 0.00 0.82 0.00 0.00 66.70 68.06 3a7u h VAL 205 Cb 0.61 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.23 3a7u h VAL 205 CO -0.87 0.00 0.02 0.00 0.02 0.00 0.00 177.57 176.74 3a7u h ALA 206 N -1.59 0.92 -0.19 1.67 0.00 0.39 0.47 119.26 120.94 3a7u h ALA 206 Ca -0.08 0.27 0.05 0.00 0.00 0.00 0.00 54.91 55.15 3a7u h ALA 206 Cb 0.58 0.47 -0.07 0.00 0.00 0.00 0.00 17.79 18.77 3a7u h ALA 206 CO 0.13 -0.46 -0.44 1.15 0.00 0.00 0.00 179.25 179.63 3a7u h THR 207 N 0.08 0.12 -0.99 0.00 2.02 0.78 0.54 112.91 115.46 3a7u h THR 207 Ca 0.48 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.71 3a7u h THR 207 Cb 0.89 0.12 -0.06 0.00 -1.74 0.00 0.00 68.15 67.36 3a7u h THR 207 CO -0.75 0.00 0.64 -0.08 0.37 0.00 0.00 175.52 175.70 3a7u h GLU 208 N -0.47 1.16 -0.19 6.66 4.57 0.10 -1.24 114.58 125.17 3a7u h GLU 208 Ca 0.08 -0.07 -0.14 0.00 -1.18 0.00 0.00 59.36 58.05 3a7u h GLU 208 Cb 0.62 -0.26 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 3a7u h GLU 208 CO -0.44 0.77 -0.47 -0.92 -1.18 0.00 0.00 179.01 176.77 3a7u h TYR 209 N 1.20 0.60 0.01 0.92 3.20 -0.00 -1.42 116.97 121.47 3a7u h TYR 209 Ca 0.41 -0.19 -0.00 0.00 3.14 0.00 0.00 58.73 62.09 3a7u h TYR 209 Cb 0.10 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.25 3a7u h TYR 209 CO -0.00 0.87 -0.01 0.00 -1.64 0.00 0.00 178.16 177.38 3a7u h ALA 210 N 1.10 -0.78 -0.94 1.82 0.00 0.12 -3.01 119.26 117.57 3a7u h ALA 210 Ca 0.02 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.05 3a7u h ALA 210 Cb 0.97 0.24 -0.14 0.00 0.00 0.00 0.00 17.79 18.86 3a7u h ALA 210 CO 0.09 -0.78 -0.43 2.41 0.00 0.00 0.00 179.25 180.54 3a7u n THR 211 N -2.28 -0.54 0.23 0.00 -1.04 -0.66 0.13 114.28 110.12 3a7u n THR 211 Ca -0.00 2.22 0.17 0.00 -2.04 0.00 0.00 64.05 64.39 3a7u n THR 211 Cb 0.01 -2.86 0.72 0.00 -1.82 0.00 0.00 70.33 66.38 3a7u n THR 211 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 3a7u h SER 212 N 0.00 0.00 0.00 8.00 0.02 -1.12 0.30 113.55 120.74 3a7u h SER 212 Ca 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 3a7u h SER 212 Cb 0.50 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.04 3a7u h SER 212 CO -0.91 0.00 0.00 1.41 -1.14 0.00 0.00 176.83 176.19 3a7u n HIS 213 N -3.17 0.00 -2.51 3.45 8.25 -0.49 -5.08 115.22 115.67 3a7u n HIS 213 Ca 0.02 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.46 3a7u n HIS 213 Cb 0.55 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.67 3a7u n HIS 213 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 3a7u n GLN 214 N -0.66 -2.49 -3.63 -0.41 6.02 0.35 -4.84 117.38 111.70 3a7u n GLN 214 Ca 0.00 2.15 -0.11 0.00 -0.01 0.00 0.00 57.00 59.04 3a7u n GLN 214 Cb 0.01 -4.62 -0.07 0.00 1.02 0.00 0.00 30.24 26.57 3a7u n GLN 214 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3a7u s ILE 215 N -1.65 0.00 0.00 5.09 1.09 -1.19 -4.87 121.20 119.67 3a7u s ILE 215 Ca 0.07 0.00 0.00 0.00 -1.10 0.00 0.00 60.65 59.62 3a7u s ILE 215 Cb -0.02 -1.00 0.00 0.00 -1.06 0.00 0.00 42.46 40.38 3a7u s ILE 215 CO 0.62 0.00 0.00 0.47 -0.10 0.00 0.00 174.94 175.93 3a7u n ASP 216 N 3.09 0.00 -2.24 3.58 9.92 -1.26 -4.40 116.55 125.25 3a7u n ASP 216 Ca -0.16 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.10 3a7u n ASP 216 Cb 0.56 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.04 3a7u n ASP 216 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 3a7u n ASN 217 N 0.00 0.00 -4.62 -2.24 2.85 -1.26 -4.64 115.26 105.36 3a7u n ASN 217 Ca 0.00 -0.19 -0.36 0.00 -0.11 0.00 0.00 54.58 53.91 3a7u n ASN 217 Cb 0.00 0.00 -0.10 0.00 1.24 0.00 0.00 39.78 40.92 3a7u n ASN 217 CO 0.00 0.00 0.00 -2.28 -2.11 0.00 0.00 177.26 172.87 3a7u s HIS 218 N 0.42 3.26 -0.26 1.20 2.46 -1.26 -4.93 115.29 116.18 3a7u s HIS 218 Ca 0.00 0.09 -0.23 0.00 0.47 0.00 0.00 55.06 55.39 3a7u s HIS 218 Cb 0.00 -2.23 -0.01 0.00 -0.13 0.00 0.00 32.58 30.21 3a7u s HIS 218 CO 0.00 0.00 0.75 0.42 -2.47 0.00 0.00 174.74 173.44 3a7u s ILE 219 N 1.06 4.88 -0.84 0.89 1.01 -1.26 -4.47 121.20 122.46 3a7u s ILE 219 Ca 0.06 1.31 -0.23 0.00 0.00 0.00 0.00 60.65 61.79 3a7u s ILE 219 Cb -0.14 -4.06 0.07 0.00 0.01 0.00 0.00 42.46 38.34 3a7u s ILE 219 CO 0.04 -0.08 1.21 -1.00 0.00 0.00 0.00 174.94 175.11 3a7u s HIS 220 N 2.75 2.64 0.72 3.97 3.76 0.13 -4.89 115.29 124.38 3a7u s HIS 220 Ca 0.31 -0.70 -0.16 0.00 -0.15 0.00 0.00 55.06 54.36 3a7u s HIS 220 Cb -0.15 -4.48 0.02 0.00 1.11 0.00 0.00 32.58 29.08 3a7u s HIS 220 CO 0.09 -1.79 1.12 1.28 -0.85 0.00 0.00 174.74 174.58 3a7u n LEU 221 N 8.15 4.44 -3.76 0.89 4.77 -1.26 -2.35 117.00 127.88 3a7u n LEU 221 Ca 0.14 0.69 -0.11 0.00 -0.03 0.00 0.00 56.01 56.70 3a7u n LEU 221 Cb 0.49 -1.47 -0.07 0.00 -2.33 0.00 0.00 43.42 40.03 3a7u n LEU 221 CO 0.63 -1.67 0.02 0.27 -1.33 0.00 0.00 177.39 175.32 3a7u s ILE 222 N -1.77 0.08 -0.16 -0.08 -4.36 0.15 -4.81 121.20 110.26 3a7u s ILE 222 Ca 0.76 -0.69 -0.04 0.00 -0.26 0.00 0.00 60.65 60.43 3a7u s ILE 222 Cb -0.34 -0.94 -0.03 0.00 1.25 0.00 0.00 42.46 42.40 3a7u s ILE 222 CO 0.48 -0.38 -0.04 0.21 0.24 0.00 0.00 174.94 175.45 3a7u s ASN 223 N -2.07 4.76 0.48 4.36 3.04 -1.26 -1.56 114.94 122.69 3a7u s ASN 223 Ca -0.05 -0.14 0.26 0.00 0.04 0.00 0.00 52.86 52.97 3a7u s ASN 223 Cb -0.01 -1.78 1.19 0.00 -1.54 0.00 0.00 41.25 39.12 3a7u s ASN 223 CO -0.03 0.16 1.95 1.55 -3.04 0.00 0.00 177.10 177.69 3a7u h PRO 224 N 6.73 0.00 0.03 0.43 0.13 -1.95 -3.04 132.00 134.34 3a7u h PRO 224 Ca -0.31 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.59 3a7u h PRO 224 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 3a7u h PRO 224 CO 0.62 0.18 -1.13 1.79 -0.23 0.00 0.00 178.00 179.23 3a7u h THR 225 N 0.00 1.59 -1.00 1.56 1.35 -1.95 -3.44 112.91 111.01 3a7u h THR 225 Ca -0.00 -3.27 -0.24 0.00 -0.55 0.00 0.00 66.41 62.35 3a7u h THR 225 Cb 0.54 2.84 0.00 0.00 -1.73 0.00 0.00 68.15 69.80 3a7u h THR 225 CO 0.02 0.92 0.83 -0.62 -0.25 0.00 0.00 175.52 176.42 3a7u s ASP 226 N -6.77 4.20 -0.05 5.36 -1.08 -1.15 -4.75 116.67 112.43 3a7u s ASP 226 Ca -0.01 0.52 0.14 0.00 -0.52 0.00 0.00 52.55 52.68 3a7u s ASP 226 Cb 0.09 -2.53 0.47 0.00 -1.46 0.00 0.00 42.92 39.50 3a7u s ASP 226 CO 0.84 -3.35 1.36 -1.84 0.52 0.00 0.00 175.17 172.69 3a7u n GLU 227 N 8.92 2.58 -0.02 4.34 0.28 -1.26 -2.35 120.64 133.13 3a7u n GLU 227 Ca 0.41 -1.89 -0.11 0.00 -0.16 0.00 0.00 57.16 55.42 3a7u n GLU 227 Cb 0.49 -1.57 0.03 0.00 1.43 0.00 0.00 31.44 31.82 3a7u n GLU 227 CO 0.00 0.00 0.00 1.79 -0.16 0.00 0.00 177.13 178.76 3a7u h THR 228 N 2.85 1.31 0.12 3.84 1.35 -1.99 -2.99 112.91 117.40 3a7u h THR 228 Ca 0.00 -1.77 -0.27 0.00 -0.55 0.00 0.00 66.41 63.82 3a7u h THR 228 Cb 0.91 1.72 0.00 0.00 -1.73 0.00 0.00 68.15 69.05 3a7u h THR 228 CO 0.10 0.56 -1.24 0.58 -0.25 0.00 0.00 175.52 175.27 3a7u h VAL 229 N 0.50 1.51 -3.14 6.82 2.07 -1.93 -3.41 116.25 118.66 3a7u h VAL 229 Ca 0.01 -3.08 -0.62 0.00 0.82 0.00 0.00 66.70 63.83 3a7u h VAL 229 Cb 1.10 2.94 -0.42 0.00 -1.52 0.00 0.00 31.29 33.39 3a7u h VAL 229 CO 0.11 0.90 -0.58 -0.36 0.02 0.00 0.00 177.57 177.66 3a7u s PHE 230 N -2.66 3.52 -0.35 1.57 0.08 -0.99 -5.06 117.98 114.09 3a7u s PHE 230 Ca -0.04 -3.32 -0.24 0.00 0.12 0.00 0.00 56.93 53.45 3a7u s PHE 230 Cb 0.07 -2.73 -0.11 0.00 -0.57 0.00 0.00 43.02 39.67 3a7u s PHE 230 CO 0.88 -0.58 1.32 -2.30 -0.10 0.00 0.00 175.22 174.44 3a7u n PRO 231 N 2.15 0.00 -3.60 0.24 -0.02 -1.14 -2.53 135.00 130.10 3a7u n PRO 231 Ca 0.17 0.00 -0.23 0.00 -2.02 0.00 0.00 63.50 61.42 3a7u n PRO 231 Cb 0.34 -0.88 0.02 0.00 -0.02 0.00 0.00 33.50 32.96 3a7u n PRO 231 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a7u n GLY 232 N 4.26 -1.15 0.12 -1.23 0.00 -1.26 -4.95 105.19 100.99 3a7u n GLY 232 Ca 0.34 0.50 -0.24 0.00 0.00 0.00 0.00 46.02 46.62 3a7u n GLY 232 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3a7u n ILE 233 N -3.16 1.58 0.21 -0.61 3.06 -1.05 -4.30 119.36 115.08 3a7u n ILE 233 Ca -0.15 -0.27 0.09 0.00 -2.50 0.00 0.00 62.75 59.92 3a7u n ILE 233 Cb 0.60 -1.90 0.50 0.00 0.54 0.00 0.00 39.64 39.38 3a7u n ILE 233 CO 0.00 0.00 0.00 0.78 -2.50 0.00 0.00 176.55 174.83 3a7u h ASN 234 N -0.73 0.00 0.56 9.51 -0.26 -1.87 0.99 115.58 123.78 3a7u h ASN 234 Ca -0.47 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.24 3a7u h ASN 234 Cb 1.56 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.82 3a7u h ASN 234 CO -0.20 0.00 -0.31 0.77 -1.06 0.00 0.00 177.43 176.63 3a7u h SER 235 N 0.00 -0.75 -0.50 5.81 4.64 -1.98 -0.39 113.55 120.37 3a7u h SER 235 Ca 0.00 0.04 0.10 0.00 -0.47 0.00 0.00 61.79 61.45 3a7u h SER 235 Cb 0.55 0.21 -0.09 0.00 -0.31 0.00 0.00 62.40 62.75 3a7u h SER 235 CO 0.00 -0.49 -0.12 0.11 -0.87 0.00 0.00 176.83 175.45 3a7u h LYS 236 N -0.80 0.00 -0.94 4.77 1.57 -1.06 -0.62 116.57 119.49 3a7u h LYS 236 Ca -0.08 -0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.84 3a7u h LYS 236 Cb 0.63 -0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.86 3a7u h LYS 236 CO 0.10 0.00 0.60 0.00 -0.57 0.00 0.00 179.45 179.58 3a7u h ALA 237 N 1.50 1.72 -0.18 3.86 0.00 -1.36 0.12 119.26 124.92 3a7u h ALA 237 Ca 0.24 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 3a7u h ALA 237 Cb 0.36 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 3a7u h ALA 237 CO -0.51 0.03 -0.06 0.82 0.00 0.00 0.00 179.25 179.52 3a7u h ILE 238 N 0.80 1.30 0.09 0.00 2.04 -0.05 -3.30 117.51 118.39 3a7u h ILE 238 Ca 0.47 -1.07 0.01 0.00 1.00 0.00 0.00 64.86 65.27 3a7u h ILE 238 Cb 0.65 1.64 -0.03 0.00 -0.74 0.00 0.00 36.82 38.35 3a7u h ILE 238 CO -0.24 0.32 -0.30 -0.08 0.00 0.00 0.00 178.15 177.86 3a7u h GLU 239 N 0.05 -0.42 0.00 2.37 4.81 0.61 -0.12 114.58 121.88 3a7u h GLU 239 Ca 0.04 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 3a7u h GLU 239 Cb 0.52 0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.00 3a7u h GLU 239 CO 0.02 -0.28 0.00 1.28 -0.73 0.00 0.00 179.01 179.30 3a7u n LEU 240 N -4.14 0.00 -0.00 1.64 4.77 0.11 0.11 117.00 119.49 3a7u n LEU 240 Ca -0.05 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 55.97 3a7u n LEU 240 Cb 0.23 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.27 3a7u n LEU 240 CO 0.09 0.00 -0.55 1.67 -1.33 0.00 0.00 177.39 177.27 3a7u n GLN 241 N -0.71 0.53 -1.73 3.23 7.27 -0.10 -4.62 117.38 121.25 3a7u n GLN 241 Ca 0.00 -0.06 -0.42 0.00 0.07 0.00 0.00 57.00 56.59 3a7u n GLN 241 Cb 0.00 -1.15 -0.03 0.00 2.41 0.00 0.00 30.24 31.47 3a7u n GLN 241 CO 0.00 0.00 0.00 0.25 0.07 0.00 0.00 177.06 177.38 3a7u n THR 242 N -1.72 0.35 -0.32 1.69 -2.24 0.30 -4.78 114.28 107.56 3a7u n THR 242 Ca -0.01 -0.09 0.12 0.00 -2.27 0.00 0.00 64.05 61.80 3a7u n THR 242 Cb 0.19 -1.98 0.30 0.00 -2.10 0.00 0.00 70.33 66.73 3a7u n THR 242 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 3a7u h TRP 243 N 6.09 0.88 -1.06 4.78 7.01 -1.94 0.39 115.95 132.11 3a7u h TRP 243 Ca -0.44 0.04 0.31 0.00 2.11 0.00 0.00 58.89 60.90 3a7u h TRP 243 Cb 1.21 -0.25 -0.13 0.00 -2.10 0.00 0.00 29.16 27.90 3a7u h TRP 243 CO 0.62 0.14 0.65 0.93 -2.79 0.00 0.00 178.44 177.98 3a7u h GLU 244 N 0.62 0.35 0.00 2.65 3.07 -1.93 0.11 114.58 119.45 3a7u h GLU 244 Ca 0.55 -0.02 -0.27 0.00 -0.50 0.00 0.00 59.36 59.12 3a7u h GLU 244 Cb 0.90 -0.08 -0.04 0.00 -0.84 0.00 0.00 28.75 28.69 3a7u h GLU 244 CO -0.42 0.23 -1.49 1.87 -1.40 0.00 0.00 179.01 177.81 3a7u n TRP 245 N -4.85 0.80 0.13 4.33 -0.00 0.12 -1.75 117.44 116.22 3a7u n TRP 245 Ca 0.30 0.35 -0.13 0.00 -0.00 0.00 0.00 57.50 58.02 3a7u n TRP 245 Cb 0.97 -1.06 -0.06 0.00 -0.00 0.00 0.00 31.31 31.16 3a7u n TRP 245 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 177.69 178.51 3a7u h ILE 246 N -1.00 0.53 0.02 5.87 2.04 -0.86 -3.30 117.51 120.81 3a7u h ILE 246 Ca -0.40 0.00 -0.39 0.00 1.00 0.00 0.00 64.86 65.06 3a7u h ILE 246 Cb 1.33 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 37.88 3a7u h ILE 246 CO -0.24 0.00 -2.27 -1.22 0.00 0.00 0.00 178.15 174.42 3a7u n TYR 247 N -5.34 0.32 0.00 1.37 4.01 -0.01 -4.55 117.16 112.97 3a7u n TYR 247 Ca -0.07 0.10 0.00 0.00 -0.16 0.00 0.00 57.90 57.77 3a7u n TYR 247 Cb 0.25 -1.04 0.00 0.00 -0.31 0.00 0.00 39.34 38.24 3a7u n TYR 247 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3a7u n GLY 248 N 1.72 -0.24 0.05 2.72 0.00 0.16 -1.73 105.19 107.87 3a7u n GLY 248 Ca -0.46 0.00 0.07 0.00 0.00 0.00 0.00 46.02 45.63 3a7u n GLY 248 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3a7u n LYS 249 N -1.22 0.65 -1.46 1.61 4.76 -1.20 -4.29 118.16 117.01 3a7u n LYS 249 Ca 0.00 -0.08 -0.58 0.00 -2.87 0.00 0.00 58.31 54.78 3a7u n LYS 249 Cb 0.02 -1.59 -0.10 0.00 -1.84 0.00 0.00 35.03 31.52 3a7u n LYS 249 CO 0.00 0.00 0.00 2.41 -1.37 0.00 0.00 177.40 178.44 3a7u n THR 250 N -2.47 0.10 -1.14 -0.18 -1.04 -0.71 -4.86 114.28 103.99 3a7u n THR 250 Ca -0.09 -0.08 -0.36 0.00 -2.04 0.00 0.00 64.05 61.49 3a7u n THR 250 Cb 0.69 -0.92 0.07 0.00 -1.82 0.00 0.00 70.33 68.36 3a7u n THR 250 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 3a7u n PRO 251 N 6.79 0.13 -1.55 -2.82 -0.04 -1.26 -3.95 135.00 132.30 3a7u n PRO 251 Ca 0.43 0.08 -0.54 0.00 -0.04 0.00 0.00 63.50 63.43 3a7u n PRO 251 Cb 0.05 -1.70 -0.06 0.00 -0.04 0.00 0.00 33.50 31.75 3a7u n PRO 251 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 3a7u n LYS 252 N -0.48 0.70 -3.68 0.54 5.02 -1.26 -4.84 118.16 114.16 3a7u n LYS 252 Ca 0.08 0.25 -0.15 0.00 -2.02 0.00 0.00 58.31 56.48 3a7u n LYS 252 Cb 0.51 -1.79 -0.08 0.00 -0.02 0.00 0.00 35.03 33.65 3a7u n LYS 252 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 3a7u s PHE 253 N 0.12 -0.37 0.30 2.13 -0.71 -0.92 -5.03 117.98 113.50 3a7u s PHE 253 Ca 0.84 0.66 0.06 0.00 -1.04 0.00 0.00 56.93 57.44 3a7u s PHE 253 Cb -1.04 0.20 -0.06 0.00 -1.21 0.00 0.00 43.02 40.91 3a7u s PHE 253 CO 0.52 -0.44 -0.03 -1.54 -1.34 0.00 0.00 175.22 172.40 3a7u s SER 254 N -1.07 2.77 -0.07 1.98 1.04 -1.26 -1.39 113.70 115.71 3a7u s SER 254 Ca -0.11 -1.25 0.03 0.00 0.48 0.00 0.00 55.95 55.10 3a7u s SER 254 Cb -0.03 -0.17 0.01 0.00 0.10 0.00 0.00 66.02 65.92 3a7u s SER 254 CO 0.05 -0.41 -0.16 -0.69 0.98 0.00 0.00 173.24 173.01 3a7u s VAL 255 N -3.05 1.44 -0.43 5.02 1.01 0.68 -4.96 120.40 120.11 3a7u s VAL 255 Ca 0.32 -0.67 0.05 0.00 0.00 0.00 0.00 61.98 61.67 3a7u s VAL 255 Cb 0.05 -1.27 0.18 0.00 0.00 0.00 0.00 36.38 35.35 3a7u s VAL 255 CO 0.13 0.42 0.38 -0.67 0.00 0.00 0.00 175.10 175.37 3a7u n ASP 256 N 3.59 -0.11 -0.65 3.32 2.03 -1.26 -1.94 116.55 121.53 3a7u n ASP 256 Ca -0.21 -2.49 0.00 0.00 0.52 0.00 0.00 54.79 52.61 3a7u n ASP 256 Cb 0.52 -0.58 0.00 0.00 -0.72 0.00 0.00 41.12 40.34 3a7u n ASP 256 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 3a7u n THR 257 N 2.54 0.00 -3.65 5.18 -1.04 -0.63 -5.03 114.28 111.65 3a7u n THR 257 Ca 0.28 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.27 3a7u n THR 257 Cb 0.48 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.96 3a7u n THR 257 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3a7u s SER 258 N 0.24 -0.01 -0.13 8.00 0.15 -1.26 -3.15 113.70 117.55 3a7u s SER 258 Ca 0.00 0.01 -0.29 0.00 0.70 0.00 0.00 55.95 56.37 3a7u s SER 258 Cb 0.00 0.01 0.07 0.00 -1.71 0.00 0.00 66.02 64.39 3a7u s SER 258 CO 0.00 -0.01 0.70 0.72 1.20 0.00 0.00 173.24 175.85 3a7u s PHE 259 N -1.38 -0.69 -0.13 3.44 -0.12 -1.15 -5.00 117.98 112.94 3a7u s PHE 259 Ca 0.10 1.38 -0.05 0.00 -0.05 0.00 0.00 56.93 58.32 3a7u s PHE 259 Cb -0.01 0.36 -0.04 0.00 -0.63 0.00 0.00 43.02 42.71 3a7u s PHE 259 CO -0.06 -0.52 0.06 0.99 -0.05 0.00 0.00 175.22 175.63 3a7u s THR 260 N -0.65 4.77 -0.05 -4.49 2.01 -1.26 -1.91 115.64 114.06 3a7u s THR 260 Ca -0.07 -0.06 -0.01 0.00 0.31 0.00 0.00 61.69 61.86 3a7u s THR 260 Cb -0.02 -3.08 -0.04 0.00 0.01 0.00 0.00 72.50 69.37 3a7u s THR 260 CO 0.07 0.55 0.02 0.68 -0.69 0.00 0.00 174.62 175.25 3a7u s VAL 261 N -0.38 4.40 0.35 3.82 -7.23 -0.06 -4.94 120.40 116.36 3a7u s VAL 261 Ca 0.09 -0.36 -0.28 0.00 -1.81 0.00 0.00 61.98 59.61 3a7u s VAL 261 Cb -0.12 -2.92 -0.12 0.00 0.56 0.00 0.00 36.38 33.79 3a7u s VAL 261 CO 0.02 0.49 1.42 0.00 -0.31 0.00 0.00 175.10 176.71 3a7u n LEU 262 N 1.73 4.20 0.00 1.32 -0.00 -1.26 -1.15 117.00 121.83 3a7u n LEU 262 Ca -0.16 1.21 0.00 0.00 -0.00 0.00 0.00 56.01 57.06 3a7u n LEU 262 Cb 0.53 -1.56 0.00 0.00 -0.00 0.00 0.00 43.42 42.39 3a7u n LEU 262 CO 0.32 -0.12 0.00 1.57 -0.00 0.00 0.00 177.39 179.16 3a7u n HIS 263 N 0.61 0.00 -2.80 1.47 -0.00 -0.69 -4.76 115.22 109.06 3a7u n HIS 263 Ca 0.04 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.18 3a7u n HIS 263 Cb 0.37 0.00 0.01 0.00 -0.12 0.00 0.00 29.99 30.25 3a7u n HIS 263 CO 0.00 0.00 0.00 -2.00 0.46 0.00 0.00 176.34 174.80 3a7u s GLU 264 N -0.30 0.98 -0.82 1.57 2.56 -1.26 -1.43 118.70 120.00 3a7u s GLU 264 Ca 0.00 -0.91 -0.02 0.00 0.00 0.00 0.00 54.97 54.04 3a7u s GLU 264 Cb 0.00 -0.03 0.30 0.00 2.00 0.00 0.00 34.13 36.40 3a7u s GLU 264 CO 0.00 -1.23 2.12 0.00 -0.56 0.00 0.00 175.26 175.59 3a7u n GLN 265 N 3.09 2.99 0.00 4.30 0.00 -1.26 -5.08 117.38 121.42 3a7u n GLN 265 Ca 0.17 -3.46 0.00 0.00 0.00 0.00 0.00 57.00 53.70 3a7u n GLN 265 Cb 0.57 -2.28 0.00 0.00 0.00 0.00 0.00 30.24 28.53 3a7u n GLN 265 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 3a7u n SER 266 N -0.25 0.00 -3.75 2.61 7.64 -1.05 -5.09 113.62 113.72 3a7u n SER 266 Ca 0.53 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 60.26 3a7u n SER 266 Cb 0.28 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.33 3a7u n SER 266 CO 0.00 0.00 0.00 -1.38 -3.01 0.00 0.00 175.04 170.65 3a7u s HIS 267 N 0.00 -0.09 -0.24 1.43 -3.43 -0.51 -1.70 115.29 110.75 3a7u s HIS 267 Ca 0.00 0.35 -0.16 0.00 -0.80 0.00 0.00 55.06 54.45 3a7u s HIS 267 Cb 0.00 -0.16 -0.04 0.00 -1.43 0.00 0.00 32.58 30.96 3a7u s HIS 267 CO 0.00 -0.14 0.40 0.08 -2.00 0.00 0.00 174.74 173.08 3a7u s VAL 268 N 1.19 5.17 0.25 -5.38 1.01 -0.30 -4.91 120.40 117.43 3a7u s VAL 268 Ca -0.09 0.66 -0.06 0.00 0.00 0.00 0.00 61.98 62.49 3a7u s VAL 268 Cb -0.12 -3.72 -0.06 0.00 0.00 0.00 0.00 36.38 32.48 3a7u s VAL 268 CO -0.05 0.19 0.53 -0.70 0.00 0.00 0.00 175.10 175.07 3a7u s GLU 269 N 1.80 3.68 0.12 2.72 2.12 -1.26 -0.88 118.70 127.00 3a7u s GLU 269 Ca 0.17 0.07 0.09 0.00 0.36 0.00 0.00 54.97 55.67 3a7u s GLU 269 Cb -0.15 -2.67 -0.04 0.00 0.26 0.00 0.00 34.13 31.53 3a7u s GLU 269 CO 0.09 0.28 -0.23 0.42 -0.54 0.00 0.00 175.26 175.28 3a7u s ILE 270 N -1.95 1.94 -0.05 -3.70 1.01 -0.80 -4.48 121.20 113.17 3a7u s ILE 270 Ca 0.45 -1.69 0.05 0.00 0.00 0.00 0.00 60.65 59.46 3a7u s ILE 270 Cb -0.11 -1.77 -0.01 0.00 0.01 0.00 0.00 42.46 40.59 3a7u s ILE 270 CO 0.27 -0.04 -0.21 -0.75 0.00 0.00 0.00 174.94 174.21 3a7u s LYS 271 N -2.10 2.12 -0.05 2.79 2.20 -0.01 -2.92 119.74 121.77 3a7u s LYS 271 Ca 0.11 -0.74 0.01 0.00 -0.36 0.00 0.00 55.97 54.99 3a7u s LYS 271 Cb -0.09 -1.82 0.02 0.00 -1.51 0.00 0.00 37.83 34.42 3a7u s LYS 271 CO 0.05 0.31 -0.07 0.08 -0.36 0.00 0.00 175.35 175.36 3a7u s VAL 272 N -0.06 0.76 -0.27 4.02 1.01 -1.19 -0.06 120.40 124.61 3a7u s VAL 272 Ca -0.04 -0.25 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 3a7u s VAL 272 Cb -0.12 -0.74 0.11 0.00 0.00 0.00 0.00 36.38 35.63 3a7u s VAL 272 CO 0.03 0.27 0.20 0.12 0.00 0.00 0.00 175.10 175.72 3a7u s PHE 273 N 0.84 -0.06 -0.05 5.22 5.99 -0.93 -1.60 117.98 127.39 3a7u s PHE 273 Ca -0.12 -0.44 0.05 0.00 0.00 0.00 0.00 56.93 56.42 3a7u s PHE 273 Cb -0.15 -0.65 -0.02 0.00 0.00 0.00 0.00 43.02 42.20 3a7u s PHE 273 CO 0.01 -0.82 -0.20 0.42 -0.00 0.00 0.00 175.22 174.63 3a7u s ILE 274 N 2.23 2.51 -0.20 3.12 1.01 -0.82 -1.32 121.20 127.73 3a7u s ILE 274 Ca 0.08 -0.92 -0.03 0.00 0.00 0.00 0.00 60.65 59.78 3a7u s ILE 274 Cb -0.15 -1.94 -0.01 0.00 0.01 0.00 0.00 42.46 40.36 3a7u s ILE 274 CO -0.31 0.58 -0.06 -1.81 0.00 0.00 0.00 174.94 173.34 3a7u s ASP 275 N -0.45 4.27 -0.09 3.58 1.01 0.51 -0.23 116.67 125.28 3a7u s ASP 275 Ca 0.05 -0.37 0.01 0.00 0.71 0.00 0.00 52.55 52.95 3a7u s ASP 275 Cb -0.12 -1.72 -0.02 0.00 1.01 0.00 0.00 42.92 42.07 3a7u s ASP 275 CO 0.01 0.02 -0.11 -0.69 0.21 0.00 0.00 175.17 174.61 3a7u s VAL 276 N 1.26 3.35 -0.17 -1.27 1.01 -0.48 0.20 120.40 124.30 3a7u s VAL 276 Ca 0.03 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 61.37 3a7u s VAL 276 Cb -0.14 -2.37 0.06 0.00 0.00 0.00 0.00 36.38 33.92 3a7u s VAL 276 CO -0.02 0.57 0.09 -0.75 0.00 0.00 0.00 175.10 174.98 3a7u s LYS 277 N -0.37 0.10 -1.05 2.72 2.20 -0.05 -2.16 119.74 121.14 3a7u s LYS 277 Ca 0.05 -0.11 -0.05 0.00 -0.36 0.00 0.00 55.97 55.50 3a7u s LYS 277 Cb -0.12 -1.85 0.01 0.00 -1.51 0.00 0.00 37.83 34.35 3a7u s LYS 277 CO 0.02 -0.67 0.91 0.09 -0.36 0.00 0.00 175.35 175.34 3a7u n ASN 278 N 5.26 -4.59 0.00 1.43 3.02 -1.25 -2.78 115.26 116.35 3a7u n ASN 278 Ca -0.07 -0.45 0.00 0.00 -0.03 0.00 0.00 54.58 54.03 3a7u n ASN 278 Cb 0.49 -4.14 0.00 0.00 -0.61 0.00 0.00 39.78 35.52 3a7u n ASN 278 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a7u n GLY 279 N -1.55 2.43 3.79 7.41 0.00 -1.26 -4.61 105.19 111.40 3a7u n GLY 279 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 3a7u n GLY 279 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a7u s ARG 280 N 0.00 4.11 0.07 1.61 3.00 -1.12 0.19 118.95 126.81 3a7u s ARG 280 Ca 0.00 0.42 -0.31 0.00 0.00 0.00 0.00 55.73 55.84 3a7u s ARG 280 Cb 0.00 -3.31 -0.07 0.00 0.00 0.00 0.00 34.95 31.57 3a7u s ARG 280 CO 0.00 0.47 1.36 0.42 0.00 0.00 0.00 175.30 177.55 3a7u s ILE 281 N -0.39 3.55 -0.12 1.52 1.01 0.09 -0.87 121.20 125.99 3a7u s ILE 281 Ca 0.24 1.07 0.10 0.00 0.00 0.00 0.00 60.65 62.07 3a7u s ILE 281 Cb -0.16 -3.69 -0.14 0.00 0.01 0.00 0.00 42.46 38.48 3a7u s ILE 281 CO 0.12 0.06 0.03 1.21 0.00 0.00 0.00 174.94 176.36 3a7u n GLU 282 N 4.33 2.02 -3.52 2.79 2.13 0.52 -0.06 120.64 128.86 3a7u n GLU 282 Ca 0.11 -0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.72 3a7u n GLU 282 Cb 0.43 -1.30 -0.14 0.00 0.27 0.00 0.00 31.44 30.70 3a7u n GLU 282 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3a7u s VAL 283 N -2.29 -0.26 -0.27 6.31 1.01 -1.08 -4.81 120.40 119.02 3a7u s VAL 283 Ca -0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 3a7u s VAL 283 Cb 0.04 -0.70 0.04 0.00 0.00 0.00 0.00 36.38 35.76 3a7u s VAL 283 CO 0.48 -0.28 -0.04 0.00 0.00 0.00 0.00 175.10 175.25 3a7u s ASN 285 N 1.27 4.35 -0.35 0.00 2.47 -0.43 -4.75 114.94 117.50 3a7u s ASN 285 Ca -0.03 -2.72 -0.13 0.00 0.42 0.00 0.00 52.86 50.40 3a7u s ASN 285 Cb -0.18 -1.55 -0.01 0.00 -1.45 0.00 0.00 41.25 38.06 3a7u s ASN 285 CO -0.03 -0.28 0.23 -0.63 -3.72 0.00 0.00 177.10 172.68 3a7u s ILE 286 N 0.12 5.16 -0.14 -5.21 1.01 -1.26 -2.18 121.20 118.71 3a7u s ILE 286 Ca 0.15 -0.32 -0.01 0.00 0.00 0.00 0.00 60.65 60.47 3a7u s ILE 286 Cb -0.24 -3.68 -0.02 0.00 0.01 0.00 0.00 42.46 38.53 3a7u s ILE 286 CO -0.03 -0.04 -0.10 -1.61 0.00 0.00 0.00 174.94 173.16 3a7u s GLU 287 N 1.70 3.49 0.02 2.79 2.02 0.91 -4.84 118.70 124.79 3a7u s GLU 287 Ca 0.06 -0.62 0.01 0.00 0.02 0.00 0.00 54.97 54.43 3a7u s GLU 287 Cb -0.18 -2.73 -0.02 0.00 0.10 0.00 0.00 34.13 31.30 3a7u s GLU 287 CO 0.10 0.23 -0.05 0.00 0.02 0.00 0.00 175.26 175.56 3a7u s ALA 288 N 0.34 0.33 0.08 5.21 0.00 -1.26 -0.83 121.76 125.62 3a7u s ALA 288 Ca -0.08 -0.57 -0.31 0.00 0.00 0.00 0.00 51.96 50.99 3a7u s ALA 288 Cb -0.15 0.06 -0.11 0.00 0.00 0.00 0.00 23.12 22.93 3a7u s ALA 288 CO 0.05 -0.06 1.87 -2.30 0.00 0.00 0.00 175.76 175.31 3a7u n PRO 289 N 1.82 2.70 -0.24 0.00 -0.02 -1.26 -4.84 135.00 133.16 3a7u n PRO 289 Ca -0.21 0.99 0.18 0.00 -2.02 0.00 0.00 63.50 62.44 3a7u n PRO 289 Cb 0.56 -2.88 0.50 0.00 -0.02 0.00 0.00 33.50 31.65 3a7u n PRO 289 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3a7u h ASP 290 N 9.01 0.43 -0.66 2.55 -0.00 -1.94 0.94 116.42 126.74 3a7u h ASP 290 Ca -0.47 0.04 -0.05 0.00 -0.00 0.00 0.00 57.03 56.55 3a7u h ASP 290 Cb 1.23 -0.04 -0.03 0.00 -0.00 0.00 0.00 39.33 40.50 3a7u h ASP 290 CO 0.94 0.18 0.22 1.12 -0.00 0.00 0.00 179.24 181.71 3a7u h HIS 291 N 0.44 1.07 0.02 0.28 2.07 -1.99 -2.82 115.15 114.23 3a7u h HIS 291 Ca 0.47 -0.09 -0.21 0.00 -2.85 0.00 0.00 60.37 57.68 3a7u h HIS 291 Cb 1.12 -0.32 -0.02 0.00 2.57 0.00 0.00 27.41 30.76 3a7u h HIS 291 CO -0.00 0.85 -0.99 2.35 -3.07 0.00 0.00 177.93 177.07 3a7u h TRP 292 N 1.01 0.12 -1.14 6.12 7.01 -1.22 -3.45 115.95 124.40 3a7u h TRP 292 Ca 0.23 -0.08 0.13 0.00 2.11 0.00 0.00 58.89 61.27 3a7u h TRP 292 Cb 0.27 -0.01 -0.21 0.00 -2.10 0.00 0.00 29.16 27.11 3a7u h TRP 292 CO 0.02 1.01 -0.08 -1.17 -2.79 0.00 0.00 178.44 175.43 3a7u s LEU 293 N -6.96 -1.03 0.03 0.65 2.96 -0.72 -5.04 118.68 108.57 3a7u s LEU 293 Ca -0.01 0.94 -0.28 0.00 -0.22 0.00 0.00 54.13 54.56 3a7u s LEU 293 Cb 0.10 1.98 -0.15 0.00 0.50 0.00 0.00 46.19 48.62 3a7u s LEU 293 CO 0.83 -0.19 0.72 -2.65 -1.32 0.00 0.00 176.35 173.73 3a7u n PRO 294 N 5.36 0.00 0.10 0.98 -0.02 -1.21 -4.18 135.00 136.03 3a7u n PRO 294 Ca -0.06 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.39 3a7u n PRO 294 Cb 0.51 -1.05 0.20 0.00 -0.02 0.00 0.00 33.50 33.15 3a7u n PRO 294 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3a7u h LEU 295 N 1.93 0.24 0.00 2.45 7.12 -1.88 -2.29 115.31 122.87 3a7u h LEU 295 Ca -0.35 -0.11 0.00 0.00 0.13 0.00 0.00 57.88 57.56 3a7u h LEU 295 Cb 1.09 -0.07 0.00 0.00 -0.53 0.00 0.00 40.66 41.15 3a7u h LEU 295 CO 0.48 0.67 0.00 -1.84 -0.13 0.00 0.00 178.44 177.61 3a7u n GLU 296 N -3.99 0.28 -0.09 1.25 0.00 -1.26 -1.44 120.64 115.39 3a7u n GLU 296 Ca -0.02 0.09 -0.15 0.00 0.00 0.00 0.00 57.16 57.08 3a7u n GLU 296 Cb 0.51 -1.50 -0.08 0.00 0.00 0.00 0.00 31.44 30.37 3a7u n GLU 296 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.13 177.95 3a7u h ILE 297 N 0.00 0.69 0.00 3.84 2.04 -1.76 -3.03 117.51 119.30 3a7u h ILE 297 Ca 0.00 -1.81 0.00 0.00 1.00 0.00 0.00 64.86 64.05 3a7u h ILE 297 Cb 0.06 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.75 3a7u h ILE 297 CO 0.00 0.23 0.23 0.00 0.00 0.00 0.00 178.15 178.61 3a7u h ASP 299 N 0.00 -0.34 -0.82 0.00 3.32 -1.36 -2.11 116.42 115.11 3a7u h ASP 299 Ca 0.00 0.01 0.19 0.00 0.02 0.00 0.00 57.03 57.25 3a7u h ASP 299 Cb 0.45 0.09 -0.15 0.00 0.22 0.00 0.00 39.33 39.94 3a7u h ASP 299 CO 0.00 0.04 -0.12 0.00 -1.72 0.00 0.00 179.24 177.44 3a7u n GLN 300 N -4.66 -0.07 0.00 3.56 1.13 0.33 0.43 117.38 118.10 3a7u n GLN 300 Ca -0.05 1.26 0.00 0.00 -1.94 0.00 0.00 57.00 56.27 3a7u n GLN 300 Cb 0.16 -1.92 0.00 0.00 0.11 0.00 0.00 30.24 28.59 3a7u n GLN 300 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 3a7u n LEU 301 N -5.27 0.71 -0.14 1.08 7.94 -0.14 -0.92 117.00 120.27 3a7u n LEU 301 Ca 0.15 0.46 0.13 0.00 -1.11 0.00 0.00 56.01 55.65 3a7u n LEU 301 Cb 0.49 -0.11 0.25 0.00 0.53 0.00 0.00 43.42 44.57 3a7u n LEU 301 CO -0.08 -0.11 0.45 0.59 -1.11 0.00 0.00 177.39 177.13 3a7u n ASN 302 N -0.84 0.13 -0.05 1.96 3.02 -0.79 0.45 115.26 119.13 3a7u n ASN 302 Ca 0.00 0.73 -0.12 0.00 -0.03 0.00 0.00 54.58 55.16 3a7u n ASN 302 Cb 0.00 -0.35 -0.11 0.00 -0.61 0.00 0.00 39.78 38.71 3a7u n ASN 302 CO 0.00 0.00 0.00 -1.28 -2.62 0.00 0.00 177.26 173.36 3a7u h SER 303 N 0.00 -0.01 0.00 6.41 0.87 -0.03 -1.60 113.55 119.20 3a7u h SER 303 Ca 0.36 -0.82 0.00 0.00 -1.23 0.00 0.00 61.79 60.11 3a7u h SER 303 Cb 0.94 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.90 3a7u h SER 303 CO -0.35 0.86 0.00 -1.54 -0.53 0.00 0.00 176.83 175.28 3a7u n SER 304 N -4.67 0.17 0.00 6.23 3.41 0.17 -2.37 113.62 116.56 3a7u n SER 304 Ca -0.09 -0.98 0.00 0.00 -0.26 0.00 0.00 58.87 57.54 3a7u n SER 304 Cb 0.40 -0.09 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 3a7u n SER 304 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 3a7u n LEU 305 N -0.24 0.00 -4.76 1.04 7.94 -0.68 -4.82 117.00 115.48 3a7u n LEU 305 Ca 0.00 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.49 3a7u n LEU 305 Cb 0.04 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 43.98 3a7u n LEU 305 CO 0.00 0.00 1.21 -0.63 -1.11 0.00 0.00 177.39 176.86 3a7u s ILE 306 N -1.68 2.03 0.00 1.96 -1.09 -0.61 -1.79 121.20 120.01 3a7u s ILE 306 Ca 0.00 0.02 0.00 0.00 -2.23 0.00 0.00 60.65 58.44 3a7u s ILE 306 Cb 0.00 -3.02 0.00 0.00 -1.58 0.00 0.00 42.46 37.86 3a7u s ILE 306 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 174.94 174.32 3a7u n GLY 307 N 1.40 0.30 3.93 6.18 0.00 0.92 -4.97 105.19 112.95 3a7u n GLY 307 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 3a7u n GLY 307 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3a7u s SER 308 N -2.14 6.33 0.23 1.61 0.01 -0.74 -4.74 113.70 114.26 3a7u s SER 308 Ca 0.00 0.56 -0.30 0.00 1.31 0.00 0.00 55.95 57.52 3a7u s SER 308 Cb 0.00 -2.08 -0.09 0.00 0.21 0.00 0.00 66.02 64.06 3a7u s SER 308 CO 0.00 -0.29 1.04 -0.54 0.41 0.00 0.00 173.24 173.87 3a7u s LYS 309 N -4.12 4.69 -0.61 12.44 1.02 -1.26 -0.73 119.74 131.17 3a7u s LYS 309 Ca 0.42 1.67 -0.27 0.00 0.02 0.00 0.00 55.97 57.81 3a7u s LYS 309 Cb -0.10 -3.25 -0.02 0.00 -0.52 0.00 0.00 37.83 33.94 3a7u s LYS 309 CO 0.35 0.26 1.79 0.12 -0.92 0.00 0.00 175.35 176.96 3a7u s PHE 310 N -0.84 1.74 -0.03 3.18 2.19 0.13 -4.87 117.98 119.47 3a7u s PHE 310 Ca 0.45 0.69 -0.31 0.00 0.33 0.00 0.00 56.93 58.10 3a7u s PHE 310 Cb -0.29 -4.15 0.13 0.00 -1.31 0.00 0.00 43.02 37.40 3a7u s PHE 310 CO 0.36 -2.30 1.31 -1.54 1.83 0.00 0.00 175.22 174.89 3a7u s SER 311 N 7.53 -0.05 0.62 6.13 1.04 -1.24 -5.04 113.70 122.69 3a7u s SER 311 Ca 0.64 -0.11 -0.17 0.00 0.48 0.00 0.00 55.95 56.78 3a7u s SER 311 Cb -0.12 0.14 -0.15 0.00 0.10 0.00 0.00 66.02 65.99 3a7u s SER 311 CO 0.21 -0.25 -0.29 -2.65 0.98 0.00 0.00 173.24 171.23 3a7u n PRO 312 N -0.49 0.00 -4.24 4.02 -0.02 -0.79 -4.92 135.00 128.56 3a7u n PRO 312 Ca -0.09 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.05 3a7u n PRO 312 Cb 0.63 -0.98 -0.13 0.00 -0.02 0.00 0.00 33.50 33.00 3a7u n PRO 312 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3a7u s ILE 313 N -1.95 3.52 -0.41 4.25 1.09 -1.26 -5.04 121.20 121.40 3a7u s ILE 313 Ca 0.51 -0.47 -0.39 0.00 -1.10 0.00 0.00 60.65 59.21 3a7u s ILE 313 Cb -0.41 -2.56 -0.14 0.00 -1.06 0.00 0.00 42.46 38.29 3a7u s ILE 313 CO 0.69 0.46 2.18 -0.62 -0.10 0.00 0.00 174.94 177.55 3a7u n GLU 314 N 4.13 0.64 0.00 2.79 1.02 -1.26 -4.76 120.64 123.20 3a7u n GLU 314 Ca -0.18 0.17 0.07 0.00 -0.02 0.00 0.00 57.16 57.21 3a7u n GLU 314 Cb 0.52 -2.08 0.43 0.00 -0.02 0.00 0.00 31.44 30.30 3a7u n GLU 314 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3a7u n THR 315 N 6.93 0.00 -0.08 2.62 -2.24 -1.26 0.12 114.28 120.37 3a7u n THR 315 Ca 0.47 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 62.03 3a7u n THR 315 Cb 0.12 -0.49 -0.12 0.00 -2.10 0.00 0.00 70.33 67.74 3a7u n THR 315 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3a7u n THR 316 N -0.83 1.61 -0.22 4.28 -2.24 -1.26 -2.81 114.28 112.80 3a7u n THR 316 Ca 0.11 -0.44 -0.07 0.00 -2.27 0.00 0.00 64.05 61.38 3a7u n THR 316 Cb 0.05 -1.75 0.07 0.00 -2.10 0.00 0.00 70.33 66.60 3a7u n THR 316 CO 0.00 0.00 0.00 1.62 -0.57 0.00 0.00 175.07 176.12 3a7u h VAL 317 N -0.39 1.26 0.00 2.28 3.04 -1.75 0.37 116.25 121.06 3a7u h VAL 317 Ca -0.50 -0.99 0.00 0.00 -1.01 0.00 0.00 66.70 64.20 3a7u h VAL 317 Cb 1.76 0.61 0.00 0.00 -2.01 0.00 0.00 31.29 31.65 3a7u h VAL 317 CO -0.12 0.37 0.00 -0.11 -1.01 0.00 0.00 177.57 176.70 3a7u n LEU 318 N -4.22 0.00 0.22 3.16 7.94 0.33 -0.65 117.00 123.77 3a7u n LEU 318 Ca 0.05 0.54 0.15 0.00 -1.11 0.00 0.00 56.01 55.63 3a7u n LEU 318 Cb 0.27 -0.04 0.64 0.00 0.53 0.00 0.00 43.42 44.83 3a7u n LEU 318 CO 0.42 -0.04 0.94 0.71 -1.11 0.00 0.00 177.39 178.32 3a7u h THR 319 N 0.00 0.00 -0.17 1.96 1.35 -1.57 -1.75 112.91 112.73 3a7u h THR 319 Ca 0.00 -0.33 0.04 0.00 -0.55 0.00 0.00 66.41 65.57 3a7u h THR 319 Cb 0.00 1.19 -0.03 0.00 -1.73 0.00 0.00 68.15 67.58 3a7u h THR 319 CO 0.00 0.00 -0.05 -1.28 -0.25 0.00 0.00 175.52 173.94 3a7u h SER 320 N 0.00 -0.18 -0.14 5.36 0.87 0.21 0.79 113.55 120.45 3a7u h SER 320 Ca 0.00 0.06 0.02 0.00 -1.23 0.00 0.00 61.79 60.63 3a7u h SER 320 Cb 0.38 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.44 3a7u h SER 320 CO 0.00 -0.07 -0.06 -0.38 -0.53 0.00 0.00 176.83 175.79 3a7u n ILE 321 N -5.19 -0.08 -0.01 2.23 5.41 0.18 -3.13 119.36 118.77 3a7u n ILE 321 Ca -0.03 0.34 -0.01 0.00 1.00 0.00 0.00 62.75 64.06 3a7u n ILE 321 Cb 0.12 -0.44 -0.01 0.00 -0.71 0.00 0.00 39.64 38.60 3a7u n ILE 321 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3a7u n LEU 322 N -4.20 0.98 0.29 1.39 -0.00 -1.08 -4.14 117.00 110.24 3a7u n LEU 322 Ca 0.01 -0.00 0.12 0.00 -0.00 0.00 0.00 56.01 56.14 3a7u n LEU 322 Cb 0.05 0.00 0.66 0.00 -0.00 0.00 0.00 43.42 44.14 3a7u n LEU 322 CO -0.02 0.19 1.04 -0.74 -0.00 0.00 0.00 177.39 177.86 3a7u h HIS 323 N 0.00 0.00 0.01 1.47 2.76 -0.79 1.25 115.15 119.85 3a7u h HIS 323 Ca -0.03 0.00 -0.39 0.00 -2.20 0.00 0.00 60.37 57.76 3a7u h HIS 323 Cb 1.05 0.00 -0.06 0.00 1.55 0.00 0.00 27.41 29.95 3a7u h HIS 323 CO 0.00 0.00 -2.42 -2.13 -1.30 0.00 0.00 177.93 172.08 3a7u n ARG 324 N -2.66 0.66 0.11 5.26 0.63 -1.23 -4.75 116.66 114.67 3a7u n ARG 324 Ca -0.02 0.15 -0.04 0.00 -0.92 0.00 0.00 57.85 57.02 3a7u n ARG 324 Cb 0.40 -1.54 -0.02 0.00 0.45 0.00 0.00 32.46 31.75 3a7u n ARG 324 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 3a7u h THR 325 N 0.01 0.00 -3.63 5.15 2.02 0.12 -3.42 112.91 113.15 3a7u h THR 325 Ca -0.56 -0.12 -0.64 0.00 0.77 0.00 0.00 66.41 65.86 3a7u h THR 325 Cb 1.94 0.00 -0.15 0.00 -1.74 0.00 0.00 68.15 68.20 3a7u h THR 325 CO -0.06 0.00 -0.12 -0.31 0.37 0.00 0.00 175.52 175.40 3a7u s TYR 326 N -2.97 3.21 0.00 3.16 2.02 0.12 -5.04 117.35 117.84 3a7u s TYR 326 Ca -0.04 0.23 0.00 0.00 -0.37 0.00 0.00 57.07 56.89 3a7u s TYR 326 Cb 0.00 -2.80 0.00 0.00 -0.40 0.00 0.00 41.96 38.76 3a7u s TYR 326 CO 0.13 -0.44 0.00 -2.30 -1.57 0.00 0.00 175.55 171.36 3a7u n PRO 327 N 5.59 0.00 -3.26 -1.71 -0.02 -1.26 -4.55 135.00 129.80 3a7u n PRO 327 Ca -0.06 0.00 -0.25 0.00 -2.02 0.00 0.00 63.50 61.17 3a7u n PRO 327 Cb 0.49 0.00 -0.08 0.00 -0.02 0.00 0.00 33.50 33.89 3a7u n PRO 327 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3a7u n GLY 328 N 0.00 2.62 3.35 -1.23 0.00 -1.26 -4.79 105.19 103.88 3a7u n GLY 328 Ca 0.00 -1.48 -0.46 0.00 0.00 0.00 0.00 46.02 44.08 3a7u n GLY 328 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3a7u s ASP 329 N -0.77 6.41 0.37 1.61 1.11 -1.26 -4.92 116.67 119.22 3a7u s ASP 329 Ca 0.34 -1.97 0.14 0.00 0.18 0.00 0.00 52.55 51.24 3a7u s ASP 329 Cb 0.13 -2.26 0.99 0.00 1.07 0.00 0.00 42.92 42.85 3a7u s ASP 329 CO -0.14 -0.88 1.77 0.44 1.18 0.00 0.00 175.17 177.54 3a7u h ASP 330 N 8.65 0.55 0.07 0.27 3.32 -1.98 1.28 116.42 128.58 3a7u h ASP 330 Ca -0.13 0.09 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 3a7u h ASP 330 Cb 1.07 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.61 3a7u h ASP 330 CO 0.98 0.13 -0.26 -0.33 -1.72 0.00 0.00 179.24 178.04 3a7u h GLU 331 N 0.50 0.32 0.57 3.56 5.08 -1.98 0.14 114.58 122.77 3a7u h GLU 331 Ca 0.59 -0.12 -0.03 0.00 -1.00 0.00 0.00 59.36 58.81 3a7u h GLU 331 Cb 1.31 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 30.54 3a7u h GLU 331 CO -0.34 0.57 -0.27 1.25 -1.00 0.00 0.00 179.01 179.22 3a7u h LEU 332 N 0.29 -0.65 -0.79 1.33 5.85 0.11 -1.92 115.31 119.53 3a7u h LEU 332 Ca 0.04 0.02 0.16 0.00 0.84 0.00 0.00 57.88 58.94 3a7u h LEU 332 Cb 0.62 0.17 -0.15 0.00 0.37 0.00 0.00 40.66 41.67 3a7u h LEU 332 CO 0.04 -0.37 -0.22 0.45 -0.34 0.00 0.00 178.44 178.01 3a7u h HIS 333 N -0.95 -0.49 -0.72 1.25 3.86 -0.75 0.11 115.15 117.46 3a7u h HIS 333 Ca -0.08 0.07 0.05 0.00 -1.16 0.00 0.00 60.37 59.25 3a7u h HIS 333 Cb 0.58 0.34 -0.05 0.00 1.06 0.00 0.00 27.41 29.34 3a7u h HIS 333 CO 0.04 -0.35 0.43 1.03 0.86 0.00 0.00 177.93 179.95 3a7u h SER 334 N -0.01 0.68 1.09 2.45 0.87 -0.72 -0.68 113.55 117.24 3a7u h SER 334 Ca 0.37 0.01 -0.07 0.00 -1.23 0.00 0.00 61.79 60.87 3a7u h SER 334 Cb 0.58 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 3a7u h SER 334 CO -0.82 0.46 -0.34 0.11 -0.53 0.00 0.00 176.83 175.70 3a7u h LYS 335 N 0.82 0.00 0.01 2.24 1.57 -0.28 -3.02 116.57 117.91 3a7u h LYS 335 Ca 0.31 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.09 3a7u h LYS 335 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3a7u h LYS 335 CO -0.15 0.34 -0.00 2.35 -0.57 0.00 0.00 179.45 181.42 3a7u h TRP 336 N 0.00 -0.01 0.42 -1.35 2.91 0.59 -3.09 115.95 115.42 3a7u h TRP 336 Ca -0.00 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.01 3a7u h TRP 336 Cb 0.98 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.61 3a7u h TRP 336 CO 0.00 0.22 -0.46 -0.91 -1.03 0.00 0.00 178.44 176.26 3a7u h ASN 337 N -0.24 -1.29 -1.34 2.65 2.35 -1.23 -1.48 115.58 115.01 3a7u h ASN 337 Ca -0.00 0.11 0.39 0.00 -0.55 0.00 0.00 56.30 56.24 3a7u h ASN 337 Cb 0.23 0.43 -0.05 0.00 0.05 0.00 0.00 38.32 38.98 3a7u h ASN 337 CO 0.00 -0.59 1.13 0.40 -1.65 0.00 0.00 177.43 176.72 3a7u h ILE 338 N -0.89 0.13 0.06 2.81 2.04 -1.58 1.18 117.51 121.26 3a7u h ILE 338 Ca -0.05 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 3a7u h ILE 338 Cb 0.78 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.02 3a7u h ILE 338 CO -0.08 0.00 -0.03 0.25 0.00 0.00 0.00 178.15 178.29 3a7u h LEU 339 N 0.00 -0.07 -0.88 1.44 5.85 -1.22 -2.94 115.31 117.49 3a7u h LEU 339 Ca 0.64 0.00 0.16 0.00 0.84 0.00 0.00 57.88 59.51 3a7u h LEU 339 Cb 2.90 0.02 -0.16 0.00 0.37 0.00 0.00 40.66 43.79 3a7u h LEU 339 CO -0.01 0.18 -0.31 0.00 -0.34 0.00 0.00 178.44 177.96 3a7u n GLU 341 N -5.51 0.00 -0.39 0.00 -0.58 0.38 0.51 120.64 115.06 3a7u n GLU 341 Ca 0.11 0.23 0.36 0.00 -0.42 0.00 0.00 57.16 57.43 3a7u n GLU 341 Cb 0.42 -0.57 0.72 0.00 -0.57 0.00 0.00 31.44 31.44 3a7u n GLU 341 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 3a7u h LYS 342 N 0.00 0.06 0.49 3.49 1.79 -1.07 -1.05 116.57 120.28 3a7u h LYS 342 Ca 0.00 -0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.44 3a7u h LYS 342 Cb 0.00 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.64 3a7u h LYS 342 CO 0.00 0.04 -0.23 0.82 -1.08 0.00 0.00 179.45 179.00 3a7u h ILE 343 N 0.07 0.17 -0.08 1.86 2.04 0.16 -3.11 117.51 118.62 3a7u h ILE 343 Ca 0.64 -0.53 0.02 0.00 1.00 0.00 0.00 64.86 65.99 3a7u h ILE 343 Cb 2.39 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 38.73 3a7u h ILE 343 CO -0.08 0.04 0.12 0.50 0.00 0.00 0.00 178.15 178.72 3a7u h LYS 344 N -1.11 0.00 0.00 2.37 3.64 0.13 -1.08 116.57 120.53 3a7u h LYS 344 Ca -0.07 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.31 3a7u h LYS 344 Cb 0.56 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.38 3a7u h LYS 344 CO 0.11 0.00 0.00 0.41 -2.27 0.00 0.00 179.45 177.70 3a7u n GLY 345 N -1.30 -0.34 1.54 5.01 0.00 -0.62 -2.27 105.19 107.20 3a7u n GLY 345 Ca -0.01 -0.02 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 3a7u n GLY 345 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3a7u n ILE 346 N -0.63 0.08 0.72 -0.61 -5.35 -0.41 -5.07 119.36 108.09 3a7u n ILE 346 Ca 0.02 -0.55 0.09 0.00 -0.27 0.00 0.00 62.75 62.04 3a7u n ILE 346 Cb 0.01 0.73 0.07 0.00 -1.74 0.00 0.00 39.64 38.72 3a7u n ILE 346 CO 0.00 0.00 0.00 0.23 -1.76 0.00 0.00 176.55 175.02