#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qwy h SER 46 N 0.00 0.00 -4.99 -1.34 4.64 -1.98 -3.48 113.55 106.40 1qwy h SER 46 Ca 0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 1qwy h SER 46 Cb 0.00 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.04 1qwy h SER 46 CO 0.00 0.73 -0.50 -1.22 -0.87 0.00 0.00 176.83 174.97 1qwy n TYR 47 N -3.26 -1.73 -0.67 4.77 4.01 -1.26 -1.82 117.16 117.19 1qwy n TYR 47 Ca 0.00 0.36 0.00 0.00 -0.16 0.00 0.00 57.90 58.11 1qwy n TYR 47 Cb 0.83 -3.01 0.00 0.00 -0.31 0.00 0.00 39.34 36.85 1qwy n TYR 47 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qwy n GLY 48 N -1.11 0.73 3.67 2.72 0.00 -1.26 -1.11 105.19 108.84 1qwy n GLY 48 Ca -0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 1qwy n GLY 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qwy s THR 49 N -2.55 1.01 0.61 2.61 -4.23 -0.76 -4.97 115.64 107.36 1qwy s THR 49 Ca 0.00 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.41 1qwy s THR 49 Cb 0.00 -2.26 -0.03 0.00 1.34 0.00 0.00 72.50 71.55 1qwy s THR 49 CO 0.00 0.00 0.99 -0.31 -0.54 0.00 0.00 174.62 174.76 1qwy s TYR 50 N -2.98 3.58 0.00 3.99 2.02 -0.64 -4.80 117.35 118.52 1qwy s TYR 50 Ca 0.13 1.18 -0.17 0.00 -0.37 0.00 0.00 57.07 57.84 1qwy s TYR 50 Cb 0.02 -2.69 0.03 0.00 -0.40 0.00 0.00 41.96 38.93 1qwy s TYR 50 CO 0.07 -0.67 0.36 1.52 -1.57 0.00 0.00 175.55 175.26 1qwy s TYR 51 N -3.12 -0.22 -0.08 2.71 -0.85 -1.26 -1.71 117.35 112.81 1qwy s TYR 51 Ca 0.54 0.29 0.04 0.00 -0.52 0.00 0.00 57.07 57.42 1qwy s TYR 51 Cb -0.11 0.14 -0.01 0.00 0.38 0.00 0.00 41.96 42.36 1qwy s TYR 51 CO 0.52 -0.46 -0.22 0.99 -1.52 0.00 0.00 175.55 174.86 1qwy s THR 52 N -1.69 2.28 -0.18 -3.49 2.01 -0.65 -4.95 115.64 108.99 1qwy s THR 52 Ca -0.11 -0.97 -0.16 0.00 0.31 0.00 0.00 61.69 60.76 1qwy s THR 52 Cb -0.03 -1.86 -0.04 0.00 0.01 0.00 0.00 72.50 70.57 1qwy s THR 52 CO 0.03 0.56 0.39 -0.63 -0.69 0.00 0.00 174.62 174.28 1qwy s ILE 53 N -0.01 5.22 0.65 1.82 1.01 -1.26 -0.84 121.20 127.79 1qwy s ILE 53 Ca -0.07 0.72 -0.07 0.00 0.00 0.00 0.00 60.65 61.23 1qwy s ILE 53 Cb -0.15 -3.73 0.14 0.00 0.01 0.00 0.00 42.46 38.74 1qwy s ILE 53 CO 0.05 0.30 0.89 -0.90 0.00 0.00 0.00 174.94 175.28 1qwy n ASP 54 N 4.11 0.48 0.30 3.58 5.68 0.20 -4.90 116.55 126.00 1qwy n ASP 54 Ca -0.09 -1.58 0.16 0.00 -0.50 0.00 0.00 54.79 52.78 1qwy n ASP 54 Cb 0.51 -0.64 0.94 0.00 -1.14 0.00 0.00 41.12 40.78 1qwy n ASP 54 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1qwy h SER 55 N -0.94 0.00 0.04 -1.12 4.64 -1.98 -1.51 113.55 112.68 1qwy h SER 55 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 1qwy h SER 55 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1qwy h SER 55 CO 0.25 0.02 -0.11 0.59 -0.87 0.00 0.00 176.83 176.71 1qwy n ASN 56 N -3.69 1.73 0.00 4.97 3.02 -1.26 -4.95 115.26 115.08 1qwy n ASN 56 Ca -0.03 -1.45 0.00 0.00 -0.03 0.00 0.00 54.58 53.07 1qwy n ASN 56 Cb 0.10 0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 1qwy n ASN 56 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1qwy n GLY 57 N 1.27 0.76 3.87 7.41 0.00 -0.57 -5.04 105.19 112.89 1qwy n GLY 57 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 1qwy n GLY 57 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qwy s ASP 58 N -2.63 6.43 -0.10 1.61 1.01 -1.26 -4.76 116.67 116.97 1qwy s ASP 58 Ca 0.00 1.36 -0.01 0.00 0.71 0.00 0.00 52.55 54.61 1qwy s ASP 58 Cb 0.00 -2.43 -0.03 0.00 1.01 0.00 0.00 42.92 41.47 1qwy s ASP 58 CO 0.00 -0.64 -0.07 -0.31 0.21 0.00 0.00 175.17 174.36 1qwy s TYR 59 N -2.77 2.94 -0.26 4.23 2.02 0.18 -0.63 117.35 123.07 1qwy s TYR 59 Ca 0.55 -0.15 0.03 0.00 -0.37 0.00 0.00 57.07 57.12 1qwy s TYR 59 Cb -0.10 -1.80 0.06 0.00 -0.40 0.00 0.00 41.96 39.72 1qwy s TYR 59 CO 0.40 0.16 -0.11 -1.01 -1.57 0.00 0.00 175.55 173.42 1qwy s HIS 60 N -0.33 3.19 -0.19 2.71 3.76 -0.02 -0.70 115.29 123.71 1qwy s HIS 60 Ca 0.05 -2.27 -0.09 0.00 -0.15 0.00 0.00 55.06 52.59 1qwy s HIS 60 Cb -0.13 -1.90 -0.05 0.00 1.11 0.00 0.00 32.58 31.62 1qwy s HIS 60 CO 0.02 -0.87 0.10 -1.01 -0.85 0.00 0.00 174.74 172.14 1qwy s HIS 61 N 1.13 3.36 0.06 1.40 3.76 0.70 -1.63 115.29 124.07 1qwy s HIS 61 Ca -0.09 0.24 -0.00 0.00 -0.15 0.00 0.00 55.06 55.07 1qwy s HIS 61 Cb -0.20 -2.11 -0.04 0.00 1.11 0.00 0.00 32.58 31.34 1qwy s HIS 61 CO -0.05 0.27 -0.04 0.95 -0.85 0.00 0.00 174.74 175.01 1qwy s THR 62 N 0.28 0.34 -0.76 1.30 -4.23 -0.70 -1.05 115.64 110.82 1qwy s THR 62 Ca 0.07 -1.77 0.25 0.00 -1.18 0.00 0.00 61.69 59.05 1qwy s THR 62 Cb -0.12 -1.46 0.25 0.00 1.34 0.00 0.00 72.50 72.51 1qwy s THR 62 CO -0.01 -0.93 1.76 -0.81 -0.54 0.00 0.00 174.62 174.09 1qwy n PRO 63 N 0.19 0.16 0.00 3.99 -0.04 -1.26 -1.62 135.00 136.43 1qwy n PRO 63 Ca -0.14 0.22 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1qwy n PRO 63 Cb 0.60 -1.72 0.00 0.00 -0.04 0.00 0.00 33.50 32.34 1qwy n PRO 63 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1qwy n ASP 64 N -2.01 0.45 0.00 3.54 5.68 -1.26 -4.76 116.55 118.18 1qwy n ASP 64 Ca 0.05 -1.12 0.00 0.00 -0.50 0.00 0.00 54.79 53.22 1qwy n ASP 64 Cb 0.33 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.31 1qwy n ASP 64 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1qwy n GLY 65 N -0.06 1.03 3.49 6.12 0.00 -1.26 -5.00 105.19 109.51 1qwy n GLY 65 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 1qwy n GLY 65 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qwy s ASN 66 N -3.03 6.27 0.02 1.61 2.47 -1.26 -4.94 114.94 116.07 1qwy s ASN 66 Ca 0.00 -0.66 0.03 0.00 0.42 0.00 0.00 52.86 52.65 1qwy s ASN 66 Cb 0.00 -2.40 -0.01 0.00 -1.45 0.00 0.00 41.25 37.38 1qwy s ASN 66 CO 0.00 -1.24 -0.08 0.86 -3.72 0.00 0.00 177.10 172.92 1qwy s TRP 67 N 3.75 0.72 0.12 0.43 -0.00 -1.26 -4.95 118.94 117.74 1qwy s TRP 67 Ca 0.25 -0.26 -0.06 0.00 -0.00 0.00 0.00 56.10 56.03 1qwy s TRP 67 Cb -0.15 -0.44 -0.02 0.00 -0.00 0.00 0.00 33.47 32.85 1qwy s TRP 67 CO 0.15 -0.02 0.16 0.54 -0.00 0.00 0.00 176.95 177.78 1qwy s ASN 68 N -0.74 0.19 0.34 5.86 2.20 -1.26 -5.06 114.94 116.47 1qwy s ASN 68 Ca -0.01 -0.91 0.06 0.00 -0.94 0.00 0.00 52.86 51.05 1qwy s ASN 68 Cb -0.06 0.34 0.71 0.00 -2.00 0.00 0.00 41.25 40.24 1qwy s ASN 68 CO 0.00 -0.77 1.90 -0.61 -2.94 0.00 0.00 177.10 174.68 1qwy h GLN 69 N 2.76 0.79 -0.44 3.55 5.75 -2.01 -1.61 115.11 123.90 1qwy h GLN 69 Ca -0.33 -0.05 0.02 0.00 -0.15 0.00 0.00 58.65 58.13 1qwy h GLN 69 Cb 1.20 -0.18 -0.02 0.00 1.07 0.00 0.00 27.48 29.55 1qwy h GLN 69 CO 0.55 0.52 0.29 0.00 -2.65 0.00 0.00 178.83 177.55 1qwy h ALA 70 N 1.57 1.74 -0.71 3.38 0.00 -1.98 -0.17 119.26 123.09 1qwy h ALA 70 Ca 0.41 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 1qwy h ALA 70 Cb 0.46 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.06 1qwy h ALA 70 CO -0.17 0.23 0.35 0.52 0.00 0.00 0.00 179.25 180.18 1qwy h MET 71 N 0.55 1.02 -0.33 0.00 2.86 -1.71 -1.29 114.93 116.03 1qwy h MET 71 Ca 0.17 -0.15 -0.11 0.00 -2.06 0.00 0.00 59.70 57.55 1qwy h MET 71 Cb 0.01 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.47 1qwy h MET 71 CO -0.04 0.80 -0.23 0.35 1.06 0.00 0.00 176.91 178.84 1qwy h PHE 72 N 0.99 0.87 -0.62 -0.22 3.57 -1.35 -1.48 116.94 118.71 1qwy h PHE 72 Ca 0.25 -0.24 0.03 0.00 3.53 0.00 0.00 57.97 61.53 1qwy h PHE 72 Cb 0.11 -0.19 -0.03 0.00 2.79 0.00 0.00 35.95 38.62 1qwy h PHE 72 CO 0.01 0.98 0.41 -0.44 -2.23 0.00 0.00 178.31 177.04 1qwy h ASP 73 N 0.51 0.65 -0.12 0.41 3.32 -0.81 -0.76 116.42 119.62 1qwy h ASP 73 Ca 0.06 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1qwy h ASP 73 Cb 0.79 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1qwy h ASP 73 CO 0.06 0.45 0.00 0.59 -1.72 0.00 0.00 179.24 178.63 1qwy n ASN 74 N -4.46 1.55 -3.72 6.45 4.13 -0.51 -4.94 115.26 113.76 1qwy n ASN 74 Ca 0.07 -1.64 -0.22 0.00 1.68 0.00 0.00 54.58 54.48 1qwy n ASN 74 Cb 0.11 -0.07 0.03 0.00 -1.54 0.00 0.00 39.78 38.31 1qwy n ASN 74 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1qwy n LYS 75 N 0.24 -4.93 0.00 3.52 5.02 -0.29 -4.88 118.16 116.83 1qwy n LYS 75 Ca 0.17 0.61 0.14 0.00 -2.02 0.00 0.00 58.31 57.22 1qwy n LYS 75 Cb 0.33 -5.19 0.71 0.00 -0.02 0.00 0.00 35.03 30.86 1qwy n LYS 75 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1qwy n GLU 76 N -4.31 0.27 -2.34 1.97 1.02 -0.58 -4.81 120.64 111.86 1qwy n GLU 76 Ca -0.27 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.52 1qwy n GLU 76 Cb 0.67 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.57 1qwy n GLU 76 CO 0.00 0.00 0.00 1.52 1.18 0.00 0.00 177.13 179.83 1qwy s TYR 77 N -2.73 2.82 -0.39 -0.32 -0.85 -1.26 -4.65 117.35 109.97 1qwy s TYR 77 Ca 0.23 1.56 0.07 0.00 -0.52 0.00 0.00 57.07 58.40 1qwy s TYR 77 Cb 0.20 -3.26 -0.05 0.00 0.38 0.00 0.00 41.96 39.23 1qwy s TYR 77 CO 0.48 -1.35 0.34 -1.13 -1.52 0.00 0.00 175.55 172.38 1qwy n SER 78 N -0.96 0.48 -3.67 -0.18 3.41 0.17 -4.97 113.62 107.89 1qwy n SER 78 Ca 0.10 -0.74 -0.14 0.00 -0.26 0.00 0.00 58.87 57.82 1qwy n SER 78 Cb 0.50 0.87 -0.08 0.00 -0.26 0.00 0.00 64.21 65.24 1qwy n SER 78 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1qwy s TYR 79 N -1.49 -0.55 0.03 7.33 5.04 -1.22 -4.24 117.35 122.25 1qwy s TYR 79 Ca 0.03 1.25 -0.03 0.00 -2.44 0.00 0.00 57.07 55.88 1qwy s TYR 79 Cb 0.05 0.22 -0.02 0.00 0.35 0.00 0.00 41.96 42.56 1qwy s TYR 79 CO 0.25 -0.35 0.03 0.95 -1.34 0.00 0.00 175.55 175.09 1qwy s THR 80 N -0.14 0.13 0.14 4.34 -4.23 -0.55 -1.06 115.64 114.27 1qwy s THR 80 Ca -0.03 -1.10 -0.08 0.00 -1.18 0.00 0.00 61.69 59.30 1qwy s THR 80 Cb -0.03 -0.70 -0.01 0.00 1.34 0.00 0.00 72.50 73.10 1qwy s THR 80 CO 0.03 -0.60 0.24 0.72 -0.54 0.00 0.00 174.62 174.46 1qwy s PHE 81 N -2.24 0.34 -0.19 3.99 -0.12 -0.91 -1.90 117.98 116.95 1qwy s PHE 81 Ca -0.08 -0.73 -0.03 0.00 -0.05 0.00 0.00 56.93 56.03 1qwy s PHE 81 Cb -0.04 -0.09 -0.02 0.00 -0.63 0.00 0.00 43.02 42.25 1qwy s PHE 81 CO -0.03 -0.64 -0.05 0.08 -0.05 0.00 0.00 175.22 174.52 1qwy s VAL 82 N -3.94 3.50 0.97 -2.49 1.01 -1.26 -0.53 120.40 117.67 1qwy s VAL 82 Ca 0.13 -0.47 -0.16 0.00 0.00 0.00 0.00 61.98 61.49 1qwy s VAL 82 Cb 0.04 -2.56 0.19 0.00 0.00 0.00 0.00 36.38 34.05 1qwy s VAL 82 CO -0.04 0.45 1.26 1.51 0.00 0.00 0.00 175.10 178.29 1qwy s ASP 83 N 1.02 3.03 0.56 3.32 1.47 -0.10 -4.86 116.67 121.10 1qwy s ASP 83 Ca 0.00 0.43 0.31 0.00 1.18 0.00 0.00 52.55 54.47 1qwy s ASP 83 Cb -0.15 -0.59 1.63 0.00 -0.34 0.00 0.00 42.92 43.48 1qwy s ASP 83 CO 0.00 -2.80 2.13 0.00 0.68 0.00 0.00 175.17 175.18 1qwy h ALA 84 N -1.68 1.23 -0.08 2.11 0.00 -1.92 -1.06 119.26 117.86 1qwy h ALA 84 Ca -0.45 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1qwy h ALA 84 Cb 1.26 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1qwy h ALA 84 CO 0.43 0.09 0.00 1.04 0.00 0.00 0.00 179.25 180.81 1qwy n GLN 85 N -3.51 1.66 -0.66 0.00 3.00 -1.26 -4.93 117.38 111.68 1qwy n GLN 85 Ca -0.02 -0.98 0.00 0.00 -0.01 0.00 0.00 57.00 56.00 1qwy n GLN 85 Cb 0.20 -1.44 0.00 0.00 0.00 0.00 0.00 30.24 29.00 1qwy n GLN 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1qwy n GLY 86 N 1.15 0.73 3.71 1.08 0.00 -0.40 -5.03 105.19 106.43 1qwy n GLY 86 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1qwy n GLY 86 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qwy s HIS 87 N -2.49 3.65 0.04 1.61 3.76 -1.26 -4.79 115.29 115.81 1qwy s HIS 87 Ca 0.00 1.59 -0.23 0.00 -0.15 0.00 0.00 55.06 56.27 1qwy s HIS 87 Cb 0.00 -3.03 -0.06 0.00 1.11 0.00 0.00 32.58 30.60 1qwy s HIS 87 CO 0.00 0.03 0.70 0.99 -0.85 0.00 0.00 174.74 175.61 1qwy s THR 88 N 0.88 4.76 -0.25 1.30 2.01 -1.26 -0.93 115.64 122.16 1qwy s THR 88 Ca 0.48 1.49 -0.05 0.00 0.31 0.00 0.00 61.69 63.91 1qwy s THR 88 Cb -0.20 -4.04 -0.00 0.00 0.01 0.00 0.00 72.50 68.26 1qwy s THR 88 CO 0.26 0.40 0.01 -1.00 -0.69 0.00 0.00 174.62 173.60 1qwy s HIS 89 N -0.23 3.05 -0.18 4.92 3.76 0.31 -0.64 115.29 126.27 1qwy s HIS 89 Ca 0.35 -0.94 -0.07 0.00 -0.15 0.00 0.00 55.06 54.25 1qwy s HIS 89 Cb -0.20 -2.16 -0.04 0.00 1.11 0.00 0.00 32.58 31.29 1qwy s HIS 89 CO 0.21 -0.55 0.04 0.71 -0.85 0.00 0.00 174.74 174.30 1qwy s TYR 90 N 1.49 3.18 -0.17 1.40 2.02 0.12 -2.13 117.35 123.26 1qwy s TYR 90 Ca 0.04 -0.06 -0.03 0.00 -0.37 0.00 0.00 57.07 56.65 1qwy s TYR 90 Cb -0.16 -2.07 -0.02 0.00 -0.40 0.00 0.00 41.96 39.32 1qwy s TYR 90 CO -0.01 0.05 -0.07 -0.06 -1.57 0.00 0.00 175.55 173.90 1qwy s PHE 91 N 0.52 2.93 -0.26 2.71 0.08 -0.22 -0.21 117.98 123.52 1qwy s PHE 91 Ca 0.02 -0.68 0.00 0.00 0.12 0.00 0.00 56.93 56.39 1qwy s PHE 91 Cb -0.13 -1.98 0.04 0.00 -0.57 0.00 0.00 43.02 40.38 1qwy s PHE 91 CO 0.01 -0.31 -0.07 0.71 -0.10 0.00 0.00 175.22 175.46 1qwy s TYR 92 N 0.83 3.17 -1.50 0.36 2.02 -0.22 -0.66 117.35 121.36 1qwy s TYR 92 Ca -0.02 -1.93 -0.05 0.00 -0.37 0.00 0.00 57.07 54.70 1qwy s TYR 92 Cb -0.15 -2.02 0.02 0.00 -0.40 0.00 0.00 41.96 39.42 1qwy s TYR 92 CO 0.01 -0.81 0.47 0.09 -1.57 0.00 0.00 175.55 173.74 1qwy n ASN 93 N 4.57 -5.46 -3.47 2.29 4.13 -1.26 -4.18 115.26 111.88 1qwy n ASN 93 Ca -0.15 -0.24 -0.05 0.00 1.68 0.00 0.00 54.58 55.82 1qwy n ASN 93 Cb 0.44 -4.45 0.00 0.00 -1.54 0.00 0.00 39.78 34.24 1qwy n ASN 93 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1qwy s TYR 95 N -2.78 -0.24 0.34 0.00 5.04 -1.26 -4.82 117.35 113.63 1qwy s TYR 95 Ca 0.16 0.55 -0.28 0.00 -2.44 0.00 0.00 57.07 55.06 1qwy s TYR 95 Cb -0.03 0.08 -0.10 0.00 0.35 0.00 0.00 41.96 42.26 1qwy s TYR 95 CO 0.06 -0.18 1.27 -1.25 -1.34 0.00 0.00 175.55 174.11 1qwy s PRO 96 N -0.20 4.33 -0.10 4.97 0.04 -1.26 -4.95 135.00 137.83 1qwy s PRO 96 Ca -0.03 2.14 -0.16 0.00 0.04 0.00 0.00 61.00 62.99 1qwy s PRO 96 Cb -0.03 -3.02 -0.05 0.00 0.04 0.00 0.00 34.50 31.44 1qwy s PRO 96 CO 0.01 -0.18 0.41 0.15 0.04 0.00 0.00 177.00 177.43 1qwy s LYS 97 N -1.84 4.22 -1.36 4.56 1.02 -0.26 -4.46 119.74 121.62 1qwy s LYS 97 Ca 0.50 0.35 -0.07 0.00 0.02 0.00 0.00 55.97 56.76 1qwy s LYS 97 Cb -0.38 -3.38 0.02 0.00 -0.52 0.00 0.00 37.83 33.57 1qwy s LYS 97 CO 0.50 0.30 1.06 0.09 -0.92 0.00 0.00 175.35 176.38 1qwy n ASN 98 N 3.23 -4.66 -4.73 2.83 3.02 -1.26 -4.55 115.26 109.13 1qwy n ASN 98 Ca -0.10 -0.64 -0.42 0.00 -0.03 0.00 0.00 54.58 53.39 1qwy n ASN 98 Cb 0.52 -4.69 -0.02 0.00 -0.61 0.00 0.00 39.78 34.98 1qwy n ASN 98 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1qwy n ALA 99 N -4.70 2.29 -1.16 5.41 0.00 -1.26 -4.89 120.51 116.21 1qwy n ALA 99 Ca -0.07 0.38 -0.03 0.00 0.00 0.00 0.00 53.44 53.72 1qwy n ALA 99 Cb 0.59 -2.43 0.25 0.00 0.00 0.00 0.00 19.45 17.86 1qwy n ALA 99 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1qwy n ASN 100 N 2.09 3.84 -3.83 0.00 6.94 -1.26 -4.87 115.26 118.17 1qwy n ASN 100 Ca 0.09 -3.34 -0.12 0.00 -0.02 0.00 0.00 54.58 51.18 1qwy n ASN 100 Cb 0.36 -0.67 -0.09 0.00 -2.36 0.00 0.00 39.78 37.02 1qwy n ASN 100 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1qwy s ALA 101 N -3.04 -0.51 0.30 -2.53 0.00 -1.26 -4.96 121.76 109.76 1qwy s ALA 101 Ca 0.49 0.04 -0.27 0.00 0.00 0.00 0.00 51.96 52.22 1qwy s ALA 101 Cb 0.41 0.10 -0.10 0.00 0.00 0.00 0.00 23.12 23.53 1qwy s ALA 101 CO 0.08 -0.23 0.95 -0.80 0.00 0.00 0.00 175.76 175.76 1qwy s ASN 102 N -1.38 7.40 0.22 0.00 0.01 -1.26 -4.82 114.94 115.10 1qwy s ASN 102 Ca -0.14 1.88 0.04 0.00 -0.71 0.00 0.00 52.86 53.93 1qwy s ASN 102 Cb -0.07 -2.59 -0.01 0.00 0.41 0.00 0.00 41.25 38.99 1qwy s ASN 102 CO 0.03 -0.02 0.22 0.61 -1.51 0.00 0.00 177.10 176.42 1qwy n GLY 103 N 0.81 3.10 3.50 0.66 0.00 -1.04 -4.50 105.19 107.72 1qwy n GLY 103 Ca 0.01 -1.75 -0.11 0.00 0.00 0.00 0.00 46.02 44.17 1qwy n GLY 103 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1qwy s SER 104 N -2.52 -0.49 0.00 1.61 1.04 -0.80 -4.87 113.70 107.67 1qwy s SER 104 Ca 0.25 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.58 1qwy s SER 104 Cb 0.01 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1qwy s SER 104 CO 0.18 -0.97 0.00 0.61 0.98 0.00 0.00 173.24 174.03 1qwy n GLY 105 N -0.38 6.41 3.91 7.32 0.00 -1.26 -1.48 105.19 119.72 1qwy n GLY 105 Ca -0.14 -1.81 -0.31 0.00 0.00 0.00 0.00 46.02 43.76 1qwy n GLY 105 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qwy s GLN 106 N 1.41 3.48 -0.23 1.61 -1.52 -1.26 -4.97 119.66 118.18 1qwy s GLN 106 Ca 0.00 -0.35 -0.03 0.00 -1.95 0.00 0.00 55.36 53.03 1qwy s GLN 106 Cb 0.00 -3.00 0.00 0.00 -0.22 0.00 0.00 33.01 29.79 1qwy s GLN 106 CO 0.00 0.58 -0.05 0.99 -0.25 0.00 0.00 175.29 176.56 1qwy s THR 107 N -1.54 3.21 -0.35 -0.19 2.01 -1.26 -4.35 115.64 113.16 1qwy s THR 107 Ca 0.36 -0.63 0.22 0.00 0.31 0.00 0.00 61.69 61.96 1qwy s THR 107 Cb -0.13 -2.49 0.20 0.00 0.01 0.00 0.00 72.50 70.10 1qwy s THR 107 CO 0.27 0.38 1.40 1.88 -0.69 0.00 0.00 174.62 177.85 1qwy h TYR 108 N 8.09 0.00 -3.62 4.92 0.05 -1.11 -3.45 116.97 121.84 1qwy h TYR 108 Ca -0.40 0.00 -0.63 0.00 0.05 0.00 0.00 58.73 57.75 1qwy h TYR 108 Cb 1.15 0.00 -0.18 0.00 1.01 0.00 0.00 36.73 38.71 1qwy h TYR 108 CO 0.58 0.03 -0.56 0.14 -1.05 0.00 0.00 178.16 177.29 1qwy s VAL 109 N -3.25 4.88 0.30 -2.88 -7.23 -1.25 -5.08 120.40 105.89 1qwy s VAL 109 Ca 0.04 0.02 -0.29 0.00 -1.81 0.00 0.00 61.98 59.94 1qwy s VAL 109 Cb 0.07 -3.28 -0.10 0.00 0.56 0.00 0.00 36.38 33.63 1qwy s VAL 109 CO 0.72 0.34 1.33 0.21 -0.31 0.00 0.00 175.10 177.39 1qwy s ASN 110 N 1.27 6.77 0.25 4.85 2.47 -1.26 -4.84 114.94 124.45 1qwy s ASN 110 Ca 0.06 2.64 -0.30 0.00 0.42 0.00 0.00 52.86 55.68 1qwy s ASN 110 Cb -0.14 -2.64 -0.14 0.00 -1.45 0.00 0.00 41.25 36.87 1qwy s ASN 110 CO 0.05 -0.56 1.19 -2.65 -3.72 0.00 0.00 177.10 171.41 1qwy n PRO 111 N 1.32 1.55 0.20 0.43 -0.02 -1.26 -4.84 135.00 132.38 1qwy n PRO 111 Ca 0.02 0.55 0.08 0.00 -2.02 0.00 0.00 63.50 62.13 1qwy n PRO 111 Cb 0.42 -2.05 0.37 0.00 -0.02 0.00 0.00 33.50 32.22 1qwy n PRO 111 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qwy h ALA 112 N 3.04 0.98 -2.79 3.55 0.00 -1.92 -3.45 119.26 118.68 1qwy h ALA 112 Ca -0.43 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.13 1qwy h ALA 112 Cb 1.32 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.96 1qwy h ALA 112 CO 0.68 0.37 -0.19 -0.08 0.00 0.00 0.00 179.25 180.03 1qwy s THR 113 N -3.57 0.01 0.16 0.00 -1.32 -1.26 -5.06 115.64 104.59 1qwy s THR 113 Ca 0.01 -1.46 -0.32 0.00 -1.21 0.00 0.00 61.69 58.71 1qwy s THR 113 Cb 0.10 -2.20 -0.11 0.00 -1.51 0.00 0.00 72.50 68.78 1qwy s THR 113 CO 0.66 -0.03 1.79 0.00 -2.21 0.00 0.00 174.62 174.84 1qwy n ALA 114 N -0.35 2.47 -0.96 11.08 0.00 -1.26 -1.64 120.51 129.85 1qwy n ALA 114 Ca -0.02 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.78 1qwy n ALA 114 Cb 0.62 -2.56 0.00 0.00 0.00 0.00 0.00 19.45 17.51 1qwy n ALA 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qwy n GLY 115 N 4.11 0.91 3.70 0.00 0.00 -1.26 -4.99 105.19 107.66 1qwy n GLY 115 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 1qwy n GLY 115 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1qwy n ASP 116 N 0.00 3.62 -0.33 1.61 2.03 -0.65 -4.68 116.55 118.15 1qwy n ASP 116 Ca 0.00 1.07 0.03 0.00 0.52 0.00 0.00 54.79 56.41 1qwy n ASP 116 Cb 0.00 -1.51 0.04 0.00 -0.72 0.00 0.00 41.12 38.93 1qwy n ASP 116 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 1qwy n ASN 117 N 3.78 0.73 -4.71 1.67 0.23 -1.26 -4.30 115.26 111.40 1qwy n ASN 117 Ca 0.16 -2.24 -0.31 0.00 -0.53 0.00 0.00 54.58 51.67 1qwy n ASN 117 Cb 0.32 -0.24 0.14 0.00 -2.08 0.00 0.00 39.78 37.91 1qwy n ASN 117 CO 0.00 0.00 0.00 0.20 -0.93 0.00 0.00 177.26 176.53 1qwy s ASN 118 N -1.46 3.57 -0.07 0.53 0.01 -1.26 -4.74 114.94 111.52 1qwy s ASN 118 Ca 0.09 1.92 -0.02 0.00 -0.71 0.00 0.00 52.86 54.14 1qwy s ASN 118 Cb 0.08 -2.49 -0.04 0.00 0.41 0.00 0.00 41.25 39.21 1qwy s ASN 118 CO 0.01 -2.65 0.05 -0.62 -1.51 0.00 0.00 177.10 172.38 1qwy s ASP 119 N -3.06 5.57 -0.24 -1.22 2.15 -1.26 -4.16 116.67 114.44 1qwy s ASP 119 Ca 0.64 0.20 0.10 0.00 0.43 0.00 0.00 52.55 53.92 1qwy s ASP 119 Cb -0.20 -1.62 0.45 0.00 -0.30 0.00 0.00 42.92 41.25 1qwy s ASP 119 CO 0.57 0.35 1.31 -1.22 -0.17 0.00 0.00 175.17 176.01 1qwy n TYR 120 N 1.84 0.38 -1.74 -5.34 4.01 0.28 -4.70 117.16 111.90 1qwy n TYR 120 Ca -0.17 -1.53 -0.42 0.00 -0.16 0.00 0.00 57.90 55.61 1qwy n TYR 120 Cb 0.54 -0.33 -0.01 0.00 -0.31 0.00 0.00 39.34 39.22 1qwy n TYR 120 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 1qwy n THR 121 N -1.12 1.42 -1.69 -0.72 -1.04 -1.26 -0.35 114.28 109.52 1qwy n THR 121 Ca 0.24 -0.36 -0.44 0.00 -2.04 0.00 0.00 64.05 61.45 1qwy n THR 121 Cb 0.81 -1.84 -0.03 0.00 -1.82 0.00 0.00 70.33 67.45 1qwy n THR 121 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1qwy n ALA 122 N 1.38 1.64 -1.77 2.41 0.00 0.13 -4.36 120.51 119.95 1qwy n ALA 122 Ca 0.06 0.41 -0.39 0.00 0.00 0.00 0.00 53.44 53.53 1qwy n ALA 122 Cb 0.36 -2.36 -0.00 0.00 0.00 0.00 0.00 19.45 17.45 1qwy n ALA 122 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1qwy s SER 123 N 0.63 6.21 -0.04 0.00 0.01 -1.26 -4.80 113.70 114.46 1qwy s SER 123 Ca 0.72 2.68 -0.01 0.00 1.31 0.00 0.00 55.95 60.64 1qwy s SER 123 Cb -0.62 -2.64 0.03 0.00 0.21 0.00 0.00 66.02 63.01 1qwy s SER 123 CO 0.44 -0.92 0.05 -1.10 0.41 0.00 0.00 173.24 172.11 1qwy s GLN 124 N -2.31 0.00 0.78 12.44 -0.21 -0.11 -5.00 119.66 125.26 1qwy s GLN 124 Ca 0.58 0.31 -0.11 0.00 0.02 0.00 0.00 55.36 56.16 1qwy s GLN 124 Cb -0.38 -0.50 0.06 0.00 1.00 0.00 0.00 33.01 33.19 1qwy s GLN 124 CO 0.49 -0.29 1.10 -1.54 -2.12 0.00 0.00 175.29 172.93 1qwy s SER 125 N 1.91 4.35 0.24 5.90 1.04 -1.26 -1.12 113.70 124.76 1qwy s SER 125 Ca 0.02 1.88 -0.04 0.00 0.48 0.00 0.00 55.95 58.29 1qwy s SER 125 Cb -0.12 -2.53 0.44 0.00 0.10 0.00 0.00 66.02 63.91 1qwy s SER 125 CO -0.03 -2.14 1.75 -0.61 0.98 0.00 0.00 173.24 173.19 1qwy h GLN 126 N -1.14 0.51 -0.72 4.02 5.75 -1.40 0.10 115.11 122.22 1qwy h GLN 126 Ca -0.44 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.00 1qwy h GLN 126 Cb 1.24 -0.12 -0.03 0.00 1.07 0.00 0.00 27.48 29.64 1qwy h GLN 126 CO 0.50 0.34 0.32 1.96 -2.65 0.00 0.00 178.83 179.30 1qwy h GLN 127 N 0.53 1.06 -0.65 1.69 7.50 -1.92 -0.51 115.11 122.82 1qwy h GLN 127 Ca 0.41 -0.18 -0.08 0.00 0.50 0.00 0.00 58.65 59.30 1qwy h GLN 127 Cb 0.57 -0.18 -0.03 0.00 0.05 0.00 0.00 27.48 27.89 1qwy h GLN 127 CO -0.36 0.86 0.10 1.25 -1.50 0.00 0.00 178.83 179.18 1qwy h HIS 128 N 1.03 1.15 -0.56 2.96 2.76 -1.65 -1.21 115.15 119.63 1qwy h HIS 128 Ca 0.24 -0.16 -0.04 0.00 -2.20 0.00 0.00 60.37 58.21 1qwy h HIS 128 Cb 0.17 -0.32 -0.02 0.00 1.55 0.00 0.00 27.41 28.79 1qwy h HIS 128 CO 0.01 0.97 0.17 0.82 -1.30 0.00 0.00 177.93 178.60 1qwy h ILE 129 N 1.01 1.24 -0.74 6.26 2.04 -0.70 0.31 117.51 126.93 1qwy h ILE 129 Ca 0.20 -0.80 -0.03 0.00 1.00 0.00 0.00 64.86 65.23 1qwy h ILE 129 Cb 0.44 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.19 1qwy h ILE 129 CO 0.01 0.30 0.35 0.78 0.00 0.00 0.00 178.15 179.60 1qwy h ASN 130 N 0.78 0.98 0.30 1.72 2.35 -0.82 0.63 115.58 121.51 1qwy h ASN 130 Ca 0.18 -0.14 -0.28 0.00 -0.55 0.00 0.00 56.30 55.52 1qwy h ASN 130 Cb 0.28 -0.25 0.02 0.00 0.05 0.00 0.00 38.32 38.42 1qwy h ASN 130 CO -0.01 0.84 -1.17 -0.61 -1.65 0.00 0.00 177.43 174.83 1qwy h GLN 131 N 1.05 0.49 0.00 0.81 4.15 -0.99 -3.39 115.11 117.23 1qwy h GLN 131 Ca 0.26 -0.65 0.00 0.00 0.77 0.00 0.00 58.65 59.02 1qwy h GLN 131 Cb 0.13 0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.03 1qwy h GLN 131 CO -0.03 1.27 -0.19 0.66 -1.93 0.00 0.00 178.83 178.62 1qwy n TYR 132 N -3.72 0.00 -0.17 3.99 4.01 0.08 -5.09 117.16 116.25 1qwy n TYR 132 Ca -0.11 0.00 0.02 0.00 -0.16 0.00 0.00 57.90 57.65 1qwy n TYR 132 Cb 0.96 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.97 1qwy n TYR 132 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qwy n GLY 133 N 1.13 -2.72 3.71 2.72 0.00 0.21 -4.87 105.19 105.38 1qwy n GLY 133 Ca 0.00 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.21 1qwy n GLY 133 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1qwy s TYR 134 N -3.19 3.37 -0.26 1.61 5.04 -1.26 -4.58 117.35 118.08 1qwy s TYR 134 Ca 0.00 1.18 -0.08 0.00 -2.44 0.00 0.00 57.07 55.73 1qwy s TYR 134 Cb 0.00 -3.51 -0.03 0.00 0.35 0.00 0.00 41.96 38.77 1qwy s TYR 134 CO 0.00 -1.66 0.11 -0.65 -1.34 0.00 0.00 175.55 172.01 1qwy s GLN 135 N 1.05 3.72 0.05 4.97 -0.21 -1.26 -4.98 119.66 122.99 1qwy s GLN 135 Ca 0.61 -0.45 0.23 0.00 0.02 0.00 0.00 55.36 55.77 1qwy s GLN 135 Cb -0.32 -3.43 0.04 0.00 1.00 0.00 0.00 33.01 30.30 1qwy s GLN 135 CO 0.30 -0.20 1.01 -1.13 -2.12 0.00 0.00 175.29 173.15 1qwy n SER 136 N 4.96 0.61 -2.72 5.90 3.41 -1.26 -4.45 113.62 120.07 1qwy n SER 136 Ca -0.15 -0.23 -0.32 0.00 -0.26 0.00 0.00 58.87 57.91 1qwy n SER 136 Cb 0.51 0.82 0.01 0.00 -0.26 0.00 0.00 64.21 65.29 1qwy n SER 136 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1qwy n ASN 137 N -1.95 5.65 -3.98 4.04 3.02 -1.26 -4.81 115.26 115.97 1qwy n ASN 137 Ca 0.02 -3.75 -0.14 0.00 -0.03 0.00 0.00 54.58 50.68 1qwy n ASN 137 Cb 0.43 -0.69 -0.13 0.00 -0.61 0.00 0.00 39.78 38.79 1qwy n ASN 137 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1qwy s VAL 138 N -5.22 0.40 -5.00 2.41 -7.23 -1.26 -5.09 120.40 99.40 1qwy s VAL 138 Ca 0.49 -0.50 0.00 0.00 -1.81 0.00 0.00 61.98 60.15 1qwy s VAL 138 Cb 0.39 -0.39 0.00 0.00 0.56 0.00 0.00 36.38 36.93 1qwy s VAL 138 CO -0.25 -0.08 0.00 0.61 -0.31 0.00 0.00 175.10 175.07 1qwy n GLY 139 N 2.43 -1.35 3.84 2.32 0.00 -1.26 -0.69 105.19 110.47 1qwy n GLY 139 Ca -0.16 -1.52 -0.32 0.00 0.00 0.00 0.00 46.02 44.02 1qwy n GLY 139 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qwy s PRO 140 N -1.75 4.01 0.71 1.61 0.04 -1.26 -4.94 135.00 133.42 1qwy s PRO 140 Ca 0.00 0.97 -0.16 0.00 0.04 0.00 0.00 61.00 61.85 1qwy s PRO 140 Cb 0.00 -2.16 0.01 0.00 0.04 0.00 0.00 34.50 32.39 1qwy s PRO 140 CO 0.00 -0.20 1.06 -3.47 0.04 0.00 0.00 177.00 174.44 1qwy n ASP 141 N -1.32 0.89 0.06 6.66 2.03 0.53 -4.79 116.55 120.61 1qwy n ASP 141 Ca 0.06 0.70 0.15 0.00 0.52 0.00 0.00 54.79 56.22 1qwy n ASP 141 Cb 0.54 -1.45 0.63 0.00 -0.72 0.00 0.00 41.12 40.12 1qwy n ASP 141 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1qwy h ALA 142 N -0.14 2.25 -0.20 -1.67 0.00 -1.94 -0.67 119.26 116.89 1qwy h ALA 142 Ca -0.48 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.48 1qwy h ALA 142 Cb 1.33 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1qwy h ALA 142 CO 0.48 -0.35 0.21 0.66 0.00 0.00 0.00 179.25 180.25 1qwy h SER 143 N 0.09 0.00 -0.76 0.00 4.64 -1.93 -2.05 113.55 113.54 1qwy h SER 143 Ca 0.18 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.50 1qwy h SER 143 Cb 0.61 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.66 1qwy h SER 143 CO -0.02 0.00 0.46 0.22 -0.87 0.00 0.00 176.83 176.62 1qwy h TYR 144 N 0.00 1.00 -0.01 4.77 3.20 -1.46 -3.01 116.97 121.46 1qwy h TYR 144 Ca 0.09 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.97 1qwy h TYR 144 Cb 0.51 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.45 1qwy h TYR 144 CO 0.00 0.67 -0.62 0.66 -1.64 0.00 0.00 178.16 177.23 1qwy n TYR 145 N -4.38 0.00 -0.94 -3.82 4.02 -0.79 -4.96 117.16 106.28 1qwy n TYR 145 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.97 1qwy n TYR 145 Cb 0.07 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.35 1qwy n TYR 145 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 176.86 176.28 1qwy n SER 146 N -0.66 -1.91 -3.07 7.72 7.64 -1.06 -5.17 113.62 117.12 1qwy n SER 146 Ca 0.08 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.85 1qwy n SER 146 Cb 0.40 -0.96 0.06 0.00 -1.01 0.00 0.00 64.21 62.70 1qwy n SER 146 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1qwy n SER 183 N 0.00 0.52 0.00 6.43 3.41 -1.26 -4.97 113.62 117.76 1qwy n SER 183 Ca 0.00 -1.46 0.00 0.00 -0.26 0.00 0.00 58.87 57.15 1qwy n SER 183 Cb 0.00 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.65 1qwy n SER 183 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qwy n GLY 184 N 1.64 3.12 3.03 5.00 0.00 -1.26 -5.11 105.19 111.61 1qwy n GLY 184 Ca 0.07 -2.00 -0.12 0.00 0.00 0.00 0.00 46.02 43.97 1qwy n GLY 184 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1qwy s HIS 185 N -2.86 0.55 0.49 1.61 0.09 -1.26 -4.44 115.29 109.47 1qwy s HIS 185 Ca 0.00 -0.46 -0.23 0.00 -0.00 0.00 0.00 55.06 54.37 1qwy s HIS 185 Cb 0.00 -0.34 -0.07 0.00 -0.00 0.00 0.00 32.58 32.17 1qwy s HIS 185 CO 0.00 -0.10 1.34 0.00 -0.00 0.00 0.00 174.74 175.98 1qwy s ALA 186 N -1.26 3.00 -0.12 -1.40 0.00 0.29 -4.97 121.76 117.30 1qwy s ALA 186 Ca -0.10 1.29 -0.03 0.00 0.00 0.00 0.00 51.96 53.12 1qwy s ALA 186 Cb -0.09 -3.53 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 1qwy s ALA 186 CO 0.00 -1.15 -0.02 0.15 0.00 0.00 0.00 175.76 174.74 1qwy s LYS 187 N -2.68 3.33 -1.35 0.00 -0.14 -0.35 -4.69 119.74 113.87 1qwy s LYS 187 Ca 0.66 -0.47 -0.01 0.00 -1.36 0.00 0.00 55.97 54.79 1qwy s LYS 187 Cb -0.39 -2.85 -0.00 0.00 -1.68 0.00 0.00 37.83 32.91 1qwy s LYS 187 CO 0.48 0.46 0.57 -0.25 -0.76 0.00 0.00 175.35 175.85 1qwy n ASP 188 N 2.87 -0.87 -0.51 2.83 8.00 -1.26 -4.63 116.55 122.98 1qwy n ASP 188 Ca -0.18 -0.91 0.14 0.00 0.71 0.00 0.00 54.79 54.55 1qwy n ASP 188 Cb 0.53 -3.57 0.46 0.00 -0.02 0.00 0.00 41.12 38.52 1qwy n ASP 188 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qwy n ALA 189 N -4.32 2.62 0.20 2.24 0.00 -1.26 -4.44 120.51 115.54 1qwy n ALA 189 Ca -0.30 -0.47 0.05 0.00 0.00 0.00 0.00 53.44 52.73 1qwy n ALA 189 Cb 0.68 -1.12 0.52 0.00 0.00 0.00 0.00 19.45 19.53 1qwy n ALA 189 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1qwy h SER 190 N 2.50 0.08 -0.53 0.00 4.64 -1.95 -0.11 113.55 118.18 1qwy h SER 190 Ca 0.00 -0.01 0.15 0.00 -0.47 0.00 0.00 61.79 61.46 1qwy h SER 190 Cb 0.55 -0.02 -0.02 0.00 -0.31 0.00 0.00 62.40 62.60 1qwy h SER 190 CO 0.00 0.17 0.42 4.11 -0.87 0.00 0.00 176.83 180.66 1qwy h TRP 191 N 0.09 0.00 0.00 4.77 5.08 -2.00 -1.43 115.95 122.47 1qwy h TRP 191 Ca 0.02 0.00 -0.14 0.00 1.08 0.00 0.00 58.89 59.85 1qwy h TRP 191 Cb 0.19 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.33 1qwy h TRP 191 CO 0.00 0.00 -1.29 -0.11 -1.28 0.00 0.00 178.44 175.76 1qwy n LEU 192 N -4.17 1.90 0.00 0.11 7.94 -0.17 -4.64 117.00 117.96 1qwy n LEU 192 Ca 0.10 0.42 0.14 0.00 -1.11 0.00 0.00 56.01 55.55 1qwy n LEU 192 Cb 0.64 -0.82 0.67 0.00 0.53 0.00 0.00 43.42 44.43 1qwy n LEU 192 CO 0.34 -0.04 0.97 0.35 -1.11 0.00 0.00 177.39 177.90 1qwy n THR 193 N -4.44 0.07 0.44 1.96 -2.24 -0.49 -2.06 114.28 107.52 1qwy n THR 193 Ca -0.25 0.02 0.13 0.00 -2.27 0.00 0.00 64.05 61.68 1qwy n THR 193 Cb 0.57 -0.54 0.45 0.00 -2.10 0.00 0.00 70.33 68.70 1qwy n THR 193 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1qwy h SER 194 N 0.00 0.00 -3.44 3.42 4.64 -1.50 -3.47 113.55 113.20 1qwy h SER 194 Ca 0.00 0.00 -0.48 0.00 -0.47 0.00 0.00 61.79 60.84 1qwy h SER 194 Cb 0.36 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.49 1qwy h SER 194 CO 0.00 0.00 0.09 -0.13 -0.87 0.00 0.00 176.83 175.92 1qwy s ARG 195 N -3.27 3.26 0.09 4.77 1.81 -0.88 -5.00 118.95 119.73 1qwy s ARG 195 Ca 0.07 0.00 -0.33 0.00 -1.72 0.00 0.00 55.73 53.75 1qwy s ARG 195 Cb 0.10 -2.38 -0.12 0.00 -0.45 0.00 0.00 34.95 32.10 1qwy s ARG 195 CO 0.53 -0.37 1.76 1.17 -0.68 0.00 0.00 175.30 177.70 1qwy n LYS 196 N -2.32 2.42 -2.83 3.54 4.81 -1.26 -4.80 118.16 117.72 1qwy n LYS 196 Ca 0.02 0.88 -0.43 0.00 -0.87 0.00 0.00 58.31 57.91 1qwy n LYS 196 Cb 0.56 -2.72 -0.04 0.00 0.02 0.00 0.00 35.03 32.86 1qwy n LYS 196 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 1qwy s GLN 197 N 2.39 3.74 -0.04 1.64 0.74 -1.26 -0.50 119.66 126.38 1qwy s GLN 197 Ca 0.83 0.43 -0.08 0.00 0.05 0.00 0.00 55.36 56.59 1qwy s GLN 197 Cb -0.60 -3.84 -0.30 0.00 1.10 0.00 0.00 33.01 29.37 1qwy s GLN 197 CO 0.41 -1.02 0.71 -0.07 -0.55 0.00 0.00 175.29 174.78 1qwy h LEU 198 N 10.18 0.54 -7.44 3.68 3.38 -1.31 -3.47 115.31 120.87 1qwy h LEU 198 Ca -0.24 -0.80 -0.20 0.00 0.09 0.00 0.00 57.88 56.73 1qwy h LEU 198 Cb 1.08 -0.17 -0.29 0.00 0.09 0.00 0.00 40.66 41.37 1qwy h LEU 198 CO 0.99 1.68 -0.52 -1.10 0.09 0.00 0.00 178.44 179.58 1qwy s GLN 199 N -2.59 0.18 0.61 1.13 -1.52 -1.22 -4.89 119.66 111.36 1qwy s GLN 199 Ca -0.14 0.39 -0.07 0.00 -1.95 0.00 0.00 55.36 53.59 1qwy s GLN 199 Cb 0.06 -0.05 0.00 0.00 -0.22 0.00 0.00 33.01 32.80 1qwy s GLN 199 CO 0.85 -0.11 0.94 -1.25 -0.25 0.00 0.00 175.29 175.47 1qwy s PRO 200 N 0.81 2.98 0.25 2.91 0.04 -1.26 -1.48 135.00 139.25 1qwy s PRO 200 Ca -0.06 0.15 -0.30 0.00 0.04 0.00 0.00 61.00 60.83 1qwy s PRO 200 Cb -0.07 -2.21 -0.10 0.00 0.04 0.00 0.00 34.50 32.15 1qwy s PRO 200 CO -0.05 -0.74 1.51 -0.47 0.04 0.00 0.00 177.00 177.29 1qwy s TYR 201 N -3.07 2.95 0.00 0.56 5.04 -1.16 -4.16 117.35 117.52 1qwy s TYR 201 Ca 0.54 0.89 0.00 0.00 -2.44 0.00 0.00 57.07 56.06 1qwy s TYR 201 Cb -0.11 -3.91 0.00 0.00 0.35 0.00 0.00 41.96 38.29 1qwy s TYR 201 CO 0.47 -3.06 0.00 0.41 -1.34 0.00 0.00 175.55 172.03 1qwy n GLY 202 N 2.44 2.26 2.99 8.97 0.00 0.11 -5.01 105.19 116.96 1qwy n GLY 202 Ca 0.08 -0.72 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 1qwy n GLY 202 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qwy s GLN 203 N 0.00 0.35 0.72 1.61 -0.21 -1.26 -1.24 119.66 119.63 1qwy s GLN 203 Ca 0.00 -0.53 -0.14 0.00 0.02 0.00 0.00 55.36 54.71 1qwy s GLN 203 Cb 0.00 -0.08 0.03 0.00 1.00 0.00 0.00 33.01 33.96 1qwy s GLN 203 CO 0.00 0.00 1.15 0.71 -2.12 0.00 0.00 175.29 175.04 1qwy s TYR 204 N -1.10 2.27 0.18 0.91 2.02 -0.28 -4.37 117.35 116.98 1qwy s TYR 204 Ca -0.10 1.60 -0.13 0.00 -0.37 0.00 0.00 57.07 58.06 1qwy s TYR 204 Cb -0.08 -3.31 0.12 0.00 -0.40 0.00 0.00 41.96 38.29 1qwy s TYR 204 CO -0.00 -2.21 1.80 0.45 -1.57 0.00 0.00 175.55 174.02 1qwy h HIS 205 N -0.37 0.52 -1.85 2.71 3.86 -1.91 -2.27 115.15 115.85 1qwy h HIS 205 Ca -0.47 0.02 -0.77 0.00 -1.16 0.00 0.00 60.37 57.99 1qwy h HIS 205 Cb 1.27 -0.16 -0.19 0.00 1.06 0.00 0.00 27.41 29.38 1qwy h HIS 205 CO 0.51 0.28 1.64 0.41 0.86 0.00 0.00 177.93 181.63 1qwy n GLY 206 N -1.25 4.92 0.75 2.45 0.00 -1.26 -4.98 105.19 105.82 1qwy n GLY 206 Ca 0.04 -2.28 0.01 0.00 0.00 0.00 0.00 46.02 43.80 1qwy n GLY 206 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qwy n GLY 207 N 2.29 -0.42 0.00 -0.02 0.00 -0.85 -4.87 105.19 101.33 1qwy n GLY 207 Ca 0.36 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1qwy n GLY 207 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qwy n GLY 208 N -2.85 2.73 3.74 -0.02 0.00 -1.26 -4.35 105.19 103.19 1qwy n GLY 208 Ca -0.01 -1.65 -0.41 0.00 0.00 0.00 0.00 46.02 43.94 1qwy n GLY 208 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qwy s ALA 209 N -1.53 3.63 -0.09 4.61 0.00 -1.26 -1.12 121.76 126.00 1qwy s ALA 209 Ca 0.00 1.32 -0.01 0.00 0.00 0.00 0.00 51.96 53.28 1qwy s ALA 209 Cb 0.00 -3.56 0.03 0.00 0.00 0.00 0.00 23.12 19.59 1qwy s ALA 209 CO 0.00 -0.74 -0.03 -1.58 0.00 0.00 0.00 175.76 173.41 1qwy s HIS 210 N 0.07 1.03 -2.72 0.00 5.04 -0.37 -4.76 115.29 113.59 1qwy s HIS 210 Ca 0.60 -0.42 0.25 0.00 -1.54 0.00 0.00 55.06 53.95 1qwy s HIS 210 Cb -0.42 -0.98 0.33 0.00 0.04 0.00 0.00 32.58 31.55 1qwy s HIS 210 CO 0.42 -0.40 1.33 0.66 -2.34 0.00 0.00 174.74 174.41 1qwy n TYR 211 N 5.00 0.00 -3.50 3.88 4.01 -1.26 -0.71 117.16 124.57 1qwy n TYR 211 Ca -0.10 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 1qwy n TYR 211 Cb 0.50 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.53 1qwy n TYR 211 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qwy n GLY 212 N 1.33 4.54 3.28 2.72 0.00 -1.26 -4.63 105.19 111.18 1qwy n GLY 212 Ca 0.14 -1.53 -0.29 0.00 0.00 0.00 0.00 46.02 44.34 1qwy n GLY 212 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qwy s VAL 213 N -1.55 1.89 -0.14 1.61 0.11 -0.19 -2.99 120.40 119.14 1qwy s VAL 213 Ca 0.00 -1.09 -0.03 0.00 -2.93 0.00 0.00 61.98 57.93 1qwy s VAL 213 Cb 0.00 -1.59 -0.03 0.00 -1.53 0.00 0.00 36.38 33.24 1qwy s VAL 213 CO 0.00 0.47 -0.05 -1.81 -3.33 0.00 0.00 175.10 170.38 1qwy s ASP 214 N -0.73 4.73 -0.09 3.54 1.01 -0.55 -1.31 116.67 123.27 1qwy s ASP 214 Ca 0.09 -0.12 0.05 0.00 0.71 0.00 0.00 52.55 53.28 1qwy s ASP 214 Cb -0.09 -1.68 -0.00 0.00 1.01 0.00 0.00 42.92 42.16 1qwy s ASP 214 CO -0.00 0.20 -0.24 -0.31 0.21 0.00 0.00 175.17 175.03 1qwy s TYR 215 N 0.15 2.53 0.30 4.23 2.02 -0.56 -0.78 117.35 125.24 1qwy s TYR 215 Ca -0.02 -0.93 -0.30 0.00 -0.37 0.00 0.00 57.07 55.45 1qwy s TYR 215 Cb -0.14 -1.68 -0.12 0.00 -0.40 0.00 0.00 41.96 39.62 1qwy s TYR 215 CO 0.03 -0.35 1.41 0.00 -1.57 0.00 0.00 175.55 175.07 1qwy n ALA 216 N 3.33 1.57 -3.69 3.71 0.00 0.34 -1.37 120.51 124.40 1qwy n ALA 216 Ca -0.18 0.38 -0.11 0.00 0.00 0.00 0.00 53.44 53.53 1qwy n ALA 216 Cb 0.53 -2.32 -0.11 0.00 0.00 0.00 0.00 19.45 17.55 1qwy n ALA 216 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1qwy s MET 217 N -1.09 0.30 0.45 0.00 1.75 -1.01 -4.56 119.30 115.15 1qwy s MET 217 Ca 0.62 0.79 -0.25 0.00 -1.25 0.00 0.00 55.69 55.59 1qwy s MET 217 Cb -0.58 0.03 -0.08 0.00 2.84 0.00 0.00 34.83 37.04 1qwy s MET 217 CO 0.55 -0.20 1.45 -2.14 -0.65 0.00 0.00 175.02 174.03 1qwy s PRO 218 N 1.80 3.70 0.26 4.11 0.02 -1.26 -3.78 135.00 139.86 1qwy s PRO 218 Ca -0.06 2.46 -0.29 0.00 0.02 0.00 0.00 61.00 63.14 1qwy s PRO 218 Cb -0.10 -2.68 -0.14 0.00 0.02 0.00 0.00 34.50 31.59 1qwy s PRO 218 CO -0.11 -0.82 1.01 0.39 -0.33 0.00 0.00 177.00 177.13 1qwy n GLU 219 N -0.16 1.24 -1.40 5.54 -0.58 -1.26 -2.35 120.64 121.67 1qwy n GLU 219 Ca 0.05 0.44 -0.09 0.00 -0.42 0.00 0.00 57.16 57.14 1qwy n GLU 219 Cb 0.41 -1.80 -0.03 0.00 -0.57 0.00 0.00 31.44 29.45 1qwy n GLU 219 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1qwy n ASN 220 N 1.41 -3.90 -4.77 1.62 3.02 0.28 -4.94 115.26 107.99 1qwy n ASN 220 Ca 0.11 0.18 -0.38 0.00 -0.03 0.00 0.00 54.58 54.46 1qwy n ASN 220 Cb 0.30 -2.33 -0.04 0.00 -0.61 0.00 0.00 39.78 37.10 1qwy n ASN 220 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1qwy s SER 221 N -2.86 7.05 0.35 6.41 0.01 -0.99 -4.57 113.70 119.10 1qwy s SER 221 Ca 0.00 2.12 -0.28 0.00 1.31 0.00 0.00 55.95 59.10 1qwy s SER 221 Cb 0.00 -2.60 -0.11 0.00 0.21 0.00 0.00 66.02 63.52 1qwy s SER 221 CO 0.00 -0.29 1.46 -2.84 0.41 0.00 0.00 173.24 171.99 1qwy s PRO 222 N -1.95 4.17 -0.11 12.44 0.02 -1.26 -0.26 135.00 148.04 1qwy s PRO 222 Ca 0.51 2.49 0.03 0.00 0.02 0.00 0.00 61.00 64.05 1qwy s PRO 222 Cb -0.26 -3.00 -0.00 0.00 0.02 0.00 0.00 34.50 31.26 1qwy s PRO 222 CO 0.33 -0.47 -0.22 0.08 -0.33 0.00 0.00 177.00 176.39 1qwy s VAL 223 N -0.95 2.22 0.15 3.83 1.01 -0.17 -4.83 120.40 121.66 1qwy s VAL 223 Ca 0.53 -0.96 0.10 0.00 0.00 0.00 0.00 61.98 61.66 1qwy s VAL 223 Cb -0.45 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 1qwy s VAL 223 CO 0.59 0.55 -0.22 -0.31 0.00 0.00 0.00 175.10 175.71 1qwy s TYR 224 N 0.37 2.41 0.26 5.22 2.02 -1.26 -0.78 117.35 125.59 1qwy s TYR 224 Ca -0.17 -0.32 -0.30 0.00 -0.37 0.00 0.00 57.07 55.91 1qwy s TYR 224 Cb -0.18 -1.26 -0.10 0.00 -0.40 0.00 0.00 41.96 40.03 1qwy s TYR 224 CO 0.08 0.41 1.39 0.45 -1.57 0.00 0.00 175.55 176.31 1qwy s SER 225 N -2.32 6.72 0.00 2.29 0.15 0.03 -4.86 113.70 115.71 1qwy s SER 225 Ca 0.18 2.63 0.29 0.00 0.70 0.00 0.00 55.95 59.75 1qwy s SER 225 Cb -0.10 -2.63 1.28 0.00 -1.71 0.00 0.00 66.02 62.87 1qwy s SER 225 CO 0.09 -0.64 1.88 0.18 1.20 0.00 0.00 173.24 175.95 1qwy n LEU 226 N 2.07 0.83 -3.86 3.45 4.77 -1.26 -0.66 117.00 122.33 1qwy n LEU 226 Ca 0.05 -0.23 -0.11 0.00 -0.03 0.00 0.00 56.01 55.70 1qwy n LEU 226 Cb 0.41 -0.05 -0.09 0.00 -2.33 0.00 0.00 43.42 41.36 1qwy n LEU 226 CO 0.60 0.14 -0.13 0.28 -1.33 0.00 0.00 177.39 176.95 1qwy s THR 227 N -2.16 0.10 0.39 -5.08 -1.32 -1.26 -1.22 115.64 105.09 1qwy s THR 227 Ca 0.37 -0.86 -0.26 0.00 -1.21 0.00 0.00 61.69 59.73 1qwy s THR 227 Cb 0.21 -0.79 -0.09 0.00 -1.51 0.00 0.00 72.50 70.33 1qwy s THR 227 CO 0.39 -0.47 1.24 -1.81 -2.21 0.00 0.00 174.62 171.76 1qwy s ASP 228 N -1.89 6.49 0.00 8.08 1.11 -1.26 -2.94 116.67 126.25 1qwy s ASP 228 Ca -0.08 2.53 0.00 0.00 0.18 0.00 0.00 52.55 55.18 1qwy s ASP 228 Cb -0.03 -2.63 0.00 0.00 1.07 0.00 0.00 42.92 41.33 1qwy s ASP 228 CO -0.02 -0.71 0.00 0.61 1.18 0.00 0.00 175.17 176.22 1qwy n GLY 229 N 0.70 -0.54 3.10 0.21 0.00 -0.42 -1.40 105.19 106.84 1qwy n GLY 229 Ca 0.03 -0.83 -0.23 0.00 0.00 0.00 0.00 46.02 44.99 1qwy n GLY 229 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qwy s THR 230 N -3.35 1.15 -0.42 2.61 2.01 -0.60 -0.99 115.64 116.04 1qwy s THR 230 Ca 0.00 -0.60 -0.29 0.00 0.31 0.00 0.00 61.69 61.11 1qwy s THR 230 Cb 0.00 -0.97 0.02 0.00 0.01 0.00 0.00 72.50 71.56 1qwy s THR 230 CO 0.00 0.33 1.13 -0.69 -0.69 0.00 0.00 174.62 174.70 1qwy s VAL 231 N -0.18 4.29 0.05 3.82 1.01 0.52 -0.39 120.40 129.51 1qwy s VAL 231 Ca 0.02 1.38 -0.05 0.00 0.00 0.00 0.00 61.98 63.34 1qwy s VAL 231 Cb -0.07 -4.52 -0.29 0.00 0.00 0.00 0.00 36.38 31.50 1qwy s VAL 231 CO 0.00 -0.81 1.03 0.58 0.00 0.00 0.00 175.10 175.90 1qwy h VAL 232 N 6.07 1.36 -2.39 2.92 2.07 -1.15 0.14 116.25 125.27 1qwy h VAL 232 Ca -0.22 -2.94 -0.08 0.00 0.82 0.00 0.00 66.70 64.27 1qwy h VAL 232 Cb 1.06 2.89 -0.20 0.00 -1.52 0.00 0.00 31.29 33.52 1qwy h VAL 232 CO 1.09 0.86 0.01 -1.58 0.02 0.00 0.00 177.57 177.97 1qwy s GLN 233 N -2.64 0.89 -0.27 1.57 2.00 -1.14 -4.69 119.66 115.39 1qwy s GLN 233 Ca -0.06 0.13 -0.06 0.00 -2.00 0.00 0.00 55.36 53.38 1qwy s GLN 233 Cb 0.07 0.42 0.14 0.00 0.80 0.00 0.00 33.01 34.43 1qwy s GLN 233 CO 0.88 -0.26 0.54 0.00 -0.50 0.00 0.00 175.29 175.94 1qwy s ALA 234 N -1.14 -1.73 0.00 1.58 0.00 -1.26 -0.68 121.76 118.53 1qwy s ALA 234 Ca -0.11 1.79 0.00 0.00 0.00 0.00 0.00 51.96 53.64 1qwy s ALA 234 Cb -0.02 -1.75 0.00 0.00 0.00 0.00 0.00 23.12 21.35 1qwy s ALA 234 CO 0.07 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.20 1qwy n GLY 235 N 5.42 -0.64 3.68 0.00 0.00 -0.88 -4.63 105.19 108.15 1qwy n GLY 235 Ca -0.07 -0.93 -0.39 0.00 0.00 0.00 0.00 46.02 44.63 1qwy n GLY 235 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1qwy s TRP 236 N -3.00 3.43 -0.14 1.61 -0.11 -1.26 -1.14 118.94 118.33 1qwy s TRP 236 Ca 0.00 0.89 -0.12 0.00 1.22 0.00 0.00 56.10 58.09 1qwy s TRP 236 Cb 0.00 -2.68 -0.05 0.00 -1.50 0.00 0.00 33.47 29.25 1qwy s TRP 236 CO 0.00 -0.02 0.24 0.45 -4.62 0.00 0.00 176.95 173.00 1qwy s SER 237 N 0.97 6.43 0.00 5.86 0.15 0.29 -4.97 113.70 122.43 1qwy s SER 237 Ca 0.27 0.50 0.31 0.00 0.70 0.00 0.00 55.95 57.73 1qwy s SER 237 Cb -0.16 -2.15 1.73 0.00 -1.71 0.00 0.00 66.02 63.74 1qwy s SER 237 CO 0.11 0.21 2.13 0.59 1.20 0.00 0.00 173.24 177.48 1qwy n ASN 238 N 2.99 0.26 -1.06 5.45 3.02 -1.26 -3.39 115.26 121.27 1qwy n ASN 238 Ca -0.15 -1.02 0.08 0.00 -0.03 0.00 0.00 54.58 53.46 1qwy n ASN 238 Cb 0.53 -0.02 0.28 0.00 -0.61 0.00 0.00 39.78 39.96 1qwy n ASN 238 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1qwy n TYR 239 N -0.82 1.13 0.00 3.10 4.01 -1.26 -0.42 117.16 122.89 1qwy n TYR 239 Ca 0.22 -0.85 0.00 0.00 -0.16 0.00 0.00 57.90 57.12 1qwy n TYR 239 Cb 0.16 -0.34 0.00 0.00 -0.31 0.00 0.00 39.34 38.85 1qwy n TYR 239 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qwy n GLY 240 N -0.30 1.58 0.00 2.72 0.00 -1.26 -0.55 105.19 107.37 1qwy n GLY 240 Ca 0.22 -0.34 0.12 0.00 0.00 0.00 0.00 46.02 46.02 1qwy n GLY 240 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qwy n GLY 241 N 0.00 -1.31 7.00 -0.02 0.00 -1.26 -0.96 105.19 108.63 1qwy n GLY 241 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1qwy n GLY 241 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qwy n GLY 242 N 0.99 3.11 3.61 -0.02 0.00 -1.22 -0.67 105.19 111.00 1qwy n GLY 242 Ca 0.06 -0.25 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 1qwy n GLY 242 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qwy s ASN 243 N -4.00 6.36 -0.02 1.61 0.01 -1.26 -0.54 114.94 117.09 1qwy s ASN 243 Ca 0.00 1.04 0.05 0.00 -0.71 0.00 0.00 52.86 53.23 1qwy s ASN 243 Cb 0.00 -2.54 -0.01 0.00 0.41 0.00 0.00 41.25 39.11 1qwy s ASN 243 CO 0.00 -1.38 -0.16 -1.58 -1.51 0.00 0.00 177.10 172.47 1qwy s GLN 244 N 4.84 1.45 -0.06 -0.60 0.74 -0.29 -1.80 119.66 123.93 1qwy s GLN 244 Ca 0.63 -0.57 0.04 0.00 0.05 0.00 0.00 55.36 55.52 1qwy s GLN 244 Cb -0.16 -1.34 -0.02 0.00 1.10 0.00 0.00 33.01 32.59 1qwy s GLN 244 CO 0.30 0.29 -0.19 0.08 -0.55 0.00 0.00 175.29 175.22 1qwy s VAL 245 N -0.19 2.56 -0.20 1.34 1.01 -0.65 -2.07 120.40 122.21 1qwy s VAL 245 Ca 0.02 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.10 1qwy s VAL 245 Cb -0.08 -1.98 0.00 0.00 0.00 0.00 0.00 36.38 34.32 1qwy s VAL 245 CO 0.00 0.57 -0.11 -0.89 0.00 0.00 0.00 175.10 174.67 1qwy s THR 246 N -0.30 2.83 -0.08 3.92 2.01 0.14 -1.53 115.64 122.63 1qwy s THR 246 Ca 0.01 -0.68 0.04 0.00 0.31 0.00 0.00 61.69 61.37 1qwy s THR 246 Cb -0.13 -2.25 -0.01 0.00 0.01 0.00 0.00 72.50 70.12 1qwy s THR 246 CO 0.03 0.48 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.60 1qwy s ILE 247 N 1.31 2.48 -0.25 1.82 1.01 -0.18 -0.54 121.20 126.86 1qwy s ILE 247 Ca 0.04 -0.90 -0.19 0.00 0.00 0.00 0.00 60.65 59.61 1qwy s ILE 247 Cb -0.14 -1.96 -0.03 0.00 0.01 0.00 0.00 42.46 40.34 1qwy s ILE 247 CO -0.06 0.56 0.54 -0.75 0.00 0.00 0.00 174.94 175.23 1qwy s LYS 248 N -0.03 4.10 0.29 2.79 2.20 0.47 -0.43 119.74 129.14 1qwy s LYS 248 Ca -0.06 0.39 -0.30 0.00 -0.36 0.00 0.00 55.97 55.64 1qwy s LYS 248 Cb -0.15 -3.64 -0.11 0.00 -1.51 0.00 0.00 37.83 32.43 1qwy s LYS 248 CO 0.05 -0.33 1.47 -1.21 -0.36 0.00 0.00 175.35 174.97 1qwy s GLU 249 N 2.25 4.21 0.27 4.03 2.02 0.20 -1.56 118.70 130.12 1qwy s GLU 249 Ca 0.23 2.41 -0.29 0.00 0.02 0.00 0.00 54.97 57.33 1qwy s GLU 249 Cb -0.16 -3.06 -0.14 0.00 0.10 0.00 0.00 34.13 30.87 1qwy s GLU 249 CO 0.09 -0.47 1.11 0.00 0.02 0.00 0.00 175.26 176.01 1qwy n ALA 250 N 1.83 0.01 -3.86 5.21 0.00 -0.49 -3.07 120.51 120.14 1qwy n ALA 250 Ca 0.05 0.40 -0.24 0.00 0.00 0.00 0.00 53.44 53.66 1qwy n ALA 250 Cb 0.39 -2.07 -0.00 0.00 0.00 0.00 0.00 19.45 17.77 1qwy n ALA 250 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1qwy n ASN 251 N 1.38 -0.67 -3.61 0.00 5.03 -1.26 -4.94 115.26 111.19 1qwy n ASN 251 Ca 0.10 -0.94 -0.09 0.00 0.87 0.00 0.00 54.58 54.53 1qwy n ASN 251 Cb 0.31 -3.43 -0.02 0.00 -1.02 0.00 0.00 39.78 35.62 1qwy n ASN 251 CO 0.00 0.00 0.00 -0.94 -1.83 0.00 0.00 177.26 174.49 1qwy s SER 252 N -4.35 -0.06 -0.33 6.41 1.04 -1.18 -5.01 113.70 110.22 1qwy s SER 252 Ca 0.01 -0.89 0.08 0.00 0.48 0.00 0.00 55.95 55.63 1qwy s SER 252 Cb -0.01 0.72 0.56 0.00 0.10 0.00 0.00 66.02 67.40 1qwy s SER 252 CO 0.86 -1.38 1.60 -0.46 0.98 0.00 0.00 173.24 174.84 1qwy n ASN 253 N -0.76 3.00 -4.81 7.02 6.94 -1.26 -4.84 115.26 120.55 1qwy n ASN 253 Ca -0.04 -3.67 -0.36 0.00 -0.02 0.00 0.00 54.58 50.49 1qwy n ASN 253 Cb 0.60 -0.69 -0.07 0.00 -2.36 0.00 0.00 39.78 37.26 1qwy n ASN 253 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1qwy s ASN 254 N -2.11 5.99 0.10 0.53 0.01 -1.26 -0.90 114.94 117.30 1qwy s ASN 254 Ca 0.48 0.35 0.04 0.00 -0.71 0.00 0.00 52.86 53.03 1qwy s ASN 254 Cb 0.42 -1.86 -0.04 0.00 0.41 0.00 0.00 41.25 40.19 1qwy s ASN 254 CO 0.04 0.40 -0.11 -0.31 -1.51 0.00 0.00 177.10 175.61 1qwy s TYR 255 N -0.99 1.12 -0.03 2.20 2.02 0.15 -0.63 117.35 121.21 1qwy s TYR 255 Ca 0.15 -0.63 0.02 0.00 -0.37 0.00 0.00 57.07 56.23 1qwy s TYR 255 Cb -0.12 -0.61 0.01 0.00 -0.40 0.00 0.00 41.96 40.84 1qwy s TYR 255 CO 0.04 0.03 -0.07 -0.65 -1.57 0.00 0.00 175.55 173.32 1qwy s GLN 256 N -2.75 0.84 -0.12 -0.62 -0.21 0.43 -0.65 119.66 116.58 1qwy s GLN 256 Ca 0.06 -0.24 -0.01 0.00 0.02 0.00 0.00 55.36 55.18 1qwy s GLN 256 Cb -0.03 -0.80 -0.03 0.00 1.00 0.00 0.00 33.01 33.15 1qwy s GLN 256 CO 0.01 0.07 -0.06 -1.58 -2.12 0.00 0.00 175.29 171.61 1qwy s TRP 257 N 0.29 2.97 -0.21 0.91 0.51 0.19 -1.01 118.94 122.59 1qwy s TRP 257 Ca -0.04 -0.20 0.01 0.00 -2.12 0.00 0.00 56.10 53.75 1qwy s TRP 257 Cb -0.09 -1.84 0.04 0.00 -0.81 0.00 0.00 33.47 30.78 1qwy s TRP 257 CO 0.00 0.10 -0.11 0.71 -0.51 0.00 0.00 176.95 177.14 1qwy s TYR 258 N -0.14 2.67 0.34 -1.98 2.02 -0.58 -1.54 117.35 118.14 1qwy s TYR 258 Ca 0.02 -1.79 0.09 0.00 -0.37 0.00 0.00 57.07 55.01 1qwy s TYR 258 Cb -0.13 -1.74 -0.05 0.00 -0.40 0.00 0.00 41.96 39.64 1qwy s TYR 258 CO 0.03 -0.79 0.09 -1.64 -1.57 0.00 0.00 175.55 171.67 1qwy s MET 259 N 1.31 2.25 -0.42 -0.62 -1.94 -0.87 -1.64 119.30 117.36 1qwy s MET 259 Ca -0.03 -1.64 0.00 0.00 -1.71 0.00 0.00 55.69 52.32 1qwy s MET 259 Cb -0.17 -2.07 0.00 0.00 2.01 0.00 0.00 34.83 34.60 1qwy s MET 259 CO -0.08 0.12 0.00 0.72 -0.01 0.00 0.00 175.02 175.77 1qwy n HIS 260 N -1.07 -0.05 -1.79 -0.03 8.25 0.16 -4.05 115.22 116.64 1qwy n HIS 260 Ca -0.04 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.11 1qwy n HIS 260 Cb 0.62 -1.22 0.03 0.00 1.12 0.00 0.00 29.99 30.54 1qwy n HIS 260 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 1qwy s ASN 261 N -2.92 5.58 0.05 0.41 0.01 -0.74 -1.69 114.94 115.64 1qwy s ASN 261 Ca 0.00 1.70 0.02 0.00 -0.71 0.00 0.00 52.86 53.87 1qwy s ASN 261 Cb 0.00 -2.51 -0.25 0.00 0.41 0.00 0.00 41.25 38.90 1qwy s ASN 261 CO 0.00 -1.31 1.05 0.78 -1.51 0.00 0.00 177.10 176.11 1qwy h ASN 262 N -0.19 0.22 -5.00 -1.22 2.35 -0.71 -3.36 115.58 107.68 1qwy h ASN 262 Ca -0.45 -0.28 -0.02 0.00 -0.55 0.00 0.00 56.30 55.00 1qwy h ASN 262 Cb 1.21 -0.07 -0.12 0.00 0.05 0.00 0.00 38.32 39.39 1qwy h ASN 262 CO 0.57 1.22 0.21 0.00 -1.65 0.00 0.00 177.43 177.79 1qwy s ARG 263 N -2.66 1.28 0.10 0.81 1.70 -1.15 -2.51 118.95 116.52 1qwy s ARG 263 Ca -0.04 -0.47 0.08 0.00 -0.47 0.00 0.00 55.73 54.84 1qwy s ARG 263 Cb 0.08 0.59 -0.04 0.00 -0.57 0.00 0.00 34.95 35.01 1qwy s ARG 263 CO 0.85 -0.56 -0.17 -0.51 -1.08 0.00 0.00 175.30 173.83 1qwy s LEU 264 N -2.74 2.73 0.00 -1.89 1.43 -1.26 -1.14 118.68 115.80 1qwy s LEU 264 Ca 0.01 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 1qwy s LEU 264 Cb -0.01 -1.58 0.00 0.00 0.03 0.00 0.00 46.19 44.63 1qwy s LEU 264 CO -0.13 0.19 0.82 0.35 0.23 0.00 0.00 176.35 177.82 1qwy n THR 265 N 0.92 0.66 -4.28 5.49 -2.24 -0.27 -4.41 114.28 110.15 1qwy n THR 265 Ca -0.15 -0.81 -0.15 0.00 -2.27 0.00 0.00 64.05 60.67 1qwy n THR 265 Cb 0.53 0.68 -0.10 0.00 -2.10 0.00 0.00 70.33 69.34 1qwy n THR 265 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1qwy s VAL 266 N -0.66 0.82 0.13 2.28 -7.23 -1.24 -4.89 120.40 109.61 1qwy s VAL 266 Ca 0.00 -2.01 0.06 0.00 -1.81 0.00 0.00 61.98 58.22 1qwy s VAL 266 Cb 0.00 -2.22 -0.04 0.00 0.56 0.00 0.00 36.38 34.68 1qwy s VAL 266 CO 0.00 -0.40 -0.13 -0.44 -0.31 0.00 0.00 175.10 173.81 1qwy s SER 267 N -3.23 1.94 0.21 4.85 0.01 -1.26 -4.84 113.70 111.39 1qwy s SER 267 Ca 0.26 -0.84 -0.32 0.00 1.31 0.00 0.00 55.95 56.36 1qwy s SER 267 Cb 0.06 -0.06 -0.14 0.00 0.21 0.00 0.00 66.02 66.09 1qwy s SER 267 CO 0.06 -0.18 1.43 0.00 0.41 0.00 0.00 173.24 174.96 1qwy n ALA 268 N 0.42 0.93 0.00 1.44 0.00 -1.26 -1.62 120.51 120.41 1qwy n ALA 268 Ca -0.15 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.72 1qwy n ALA 268 Cb 0.58 -2.26 0.00 0.00 0.00 0.00 0.00 19.45 17.76 1qwy n ALA 268 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qwy n GLY 269 N 2.46 2.66 3.77 0.00 0.00 0.49 -5.02 105.19 109.54 1qwy n GLY 269 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 1qwy n GLY 269 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qwy s ASP 270 N -1.25 6.80 0.16 1.61 1.01 -0.64 -4.75 116.67 119.61 1qwy s ASP 270 Ca 0.00 2.66 -0.24 0.00 0.71 0.00 0.00 52.55 55.68 1qwy s ASP 270 Cb 0.00 -2.65 -0.08 0.00 1.01 0.00 0.00 42.92 41.21 1qwy s ASP 270 CO 0.00 -0.52 0.75 -0.54 0.21 0.00 0.00 175.17 175.07 1qwy s LYS 271 N -1.67 4.49 0.07 8.23 -0.14 -1.26 -0.35 119.74 129.10 1qwy s LYS 271 Ca 0.49 1.08 0.07 0.00 -1.36 0.00 0.00 55.97 56.25 1qwy s LYS 271 Cb -0.39 -3.22 -0.03 0.00 -1.68 0.00 0.00 37.83 32.51 1qwy s LYS 271 CO 0.52 0.56 -0.18 0.14 -0.76 0.00 0.00 175.35 175.62 1qwy s VAL 272 N -1.19 1.48 0.17 3.17 -7.23 -0.16 -4.93 120.40 111.71 1qwy s VAL 272 Ca 0.36 -1.33 0.04 0.00 -1.81 0.00 0.00 61.98 59.23 1qwy s VAL 272 Cb -0.22 -1.34 -0.04 0.00 0.56 0.00 0.00 36.38 35.34 1qwy s VAL 272 CO 0.25 -0.03 0.25 -0.54 -0.31 0.00 0.00 175.10 174.71 1qwy s LYS 273 N -1.59 3.26 0.28 4.82 -0.14 -1.26 -1.31 119.74 123.80 1qwy s LYS 273 Ca 0.04 -0.71 -0.30 0.00 -1.36 0.00 0.00 55.97 53.63 1qwy s LYS 273 Cb -0.09 -2.85 -0.13 0.00 -1.68 0.00 0.00 37.83 33.08 1qwy s LYS 273 CO 0.03 0.50 1.43 0.00 -0.76 0.00 0.00 175.35 176.55 1qwy n ALA 274 N -0.61 1.54 0.00 5.17 0.00 -1.15 -1.59 120.51 123.86 1qwy n ALA 274 Ca -0.08 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.75 1qwy n ALA 274 Cb 0.55 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.68 1qwy n ALA 274 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qwy n GLY 275 N 1.84 1.32 3.76 0.00 0.00 0.16 -4.94 105.19 107.33 1qwy n GLY 275 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 1qwy n GLY 275 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qwy s ASP 276 N -2.63 6.87 0.15 1.61 1.01 -0.62 -4.70 116.67 118.36 1qwy s ASP 276 Ca 0.00 2.56 -0.30 0.00 0.71 0.00 0.00 52.55 55.52 1qwy s ASP 276 Cb 0.00 -2.64 -0.07 0.00 1.01 0.00 0.00 42.92 41.22 1qwy s ASP 276 CO 0.00 -0.48 1.20 -1.58 0.21 0.00 0.00 175.17 174.52 1qwy s GLN 277 N -1.30 4.47 -0.00 8.23 0.74 -1.26 -0.79 119.66 129.75 1qwy s GLN 277 Ca 0.50 1.85 0.03 0.00 0.05 0.00 0.00 55.36 57.79 1qwy s GLN 277 Cb -0.38 -3.27 -0.04 0.00 1.10 0.00 0.00 33.01 30.42 1qwy s GLN 277 CO 0.47 -0.14 0.07 0.44 -0.55 0.00 0.00 175.29 175.59 1qwy n ILE 278 N 2.91 0.00 -3.79 -2.34 -5.35 0.04 -4.69 119.36 106.15 1qwy n ILE 278 Ca 0.06 -0.12 -0.04 0.00 -0.27 0.00 0.00 62.75 62.38 1qwy n ILE 278 Cb 0.45 0.51 -0.01 0.00 -1.74 0.00 0.00 39.64 38.86 1qwy n ILE 278 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1qwy s ALA 279 N -2.07 -1.53 -0.12 -1.28 0.00 -1.09 -1.11 121.76 114.55 1qwy s ALA 279 Ca -0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 51.96 51.88 1qwy s ALA 279 Cb 0.02 0.68 -0.02 0.00 0.00 0.00 0.00 23.12 23.80 1qwy s ALA 279 CO 0.12 -1.04 -0.11 0.71 0.00 0.00 0.00 175.76 175.43 1qwy s TYR 280 N -3.06 2.85 0.81 0.00 2.02 -0.29 -1.00 117.35 118.68 1qwy s TYR 280 Ca 0.14 -0.49 -0.11 0.00 -0.37 0.00 0.00 57.07 56.24 1qwy s TYR 280 Cb -0.02 -1.84 0.08 0.00 -0.40 0.00 0.00 41.96 39.78 1qwy s TYR 280 CO 0.04 -0.11 1.09 -1.54 -1.57 0.00 0.00 175.55 173.46 1qwy s SER 281 N 0.18 4.25 0.00 2.29 1.04 0.64 -0.37 113.70 121.73 1qwy s SER 281 Ca -0.06 1.65 0.00 0.00 0.48 0.00 0.00 55.95 58.02 1qwy s SER 281 Cb -0.15 -2.36 0.00 0.00 0.10 0.00 0.00 66.02 63.61 1qwy s SER 281 CO 0.04 -2.17 0.00 0.61 0.98 0.00 0.00 173.24 172.70 1qwy n GLY 282 N -1.33 3.49 2.42 7.32 0.00 -1.02 -0.55 105.19 115.51 1qwy n GLY 282 Ca 0.08 -0.42 0.01 0.00 0.00 0.00 0.00 46.02 45.69 1qwy n GLY 282 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1qwy n SER 283 N 0.00 1.19 -4.86 1.61 2.88 -0.74 -2.58 113.62 111.12 1qwy n SER 283 Ca 0.00 -2.02 -0.31 0.00 -1.33 0.00 0.00 58.87 55.21 1qwy n SER 283 Cb 0.00 -0.35 0.02 0.00 -0.75 0.00 0.00 64.21 63.13 1qwy n SER 283 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1qwy s THR 284 N -2.45 4.47 0.00 2.46 -4.23 -0.68 -4.55 115.64 110.65 1qwy s THR 284 Ca 0.27 0.80 0.00 0.00 -1.18 0.00 0.00 61.69 61.59 1qwy s THR 284 Cb 0.34 -3.73 0.00 0.00 1.34 0.00 0.00 72.50 70.45 1qwy s THR 284 CO -0.08 -1.05 0.00 0.61 -0.54 0.00 0.00 174.62 173.56 1qwy n GLY 285 N -2.57 0.43 3.58 3.99 0.00 -1.26 -4.18 105.19 105.18 1qwy n GLY 285 Ca 0.06 -0.91 -0.43 0.00 0.00 0.00 0.00 46.02 44.75 1qwy n GLY 285 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qwy s ASN 286 N -4.00 6.57 -0.29 1.61 0.01 -0.14 -4.92 114.94 113.78 1qwy s ASN 286 Ca 0.00 0.33 -0.17 0.00 -0.71 0.00 0.00 52.86 52.31 1qwy s ASN 286 Cb 0.00 -2.43 0.13 0.00 0.41 0.00 0.00 41.25 39.36 1qwy s ASN 286 CO 0.00 -0.86 0.92 -0.55 -1.51 0.00 0.00 177.10 175.11 1qwy s SER 287 N 1.97 -0.59 0.00 -1.22 0.15 -1.26 -4.21 113.70 108.54 1qwy s SER 287 Ca 0.34 0.96 0.17 0.00 0.70 0.00 0.00 55.95 58.12 1qwy s SER 287 Cb -0.12 1.22 0.06 0.00 -1.71 0.00 0.00 66.02 65.47 1qwy s SER 287 CO 0.20 -0.15 0.95 0.35 1.20 0.00 0.00 173.24 175.79 1qwy n THR 288 N 3.69 0.00 -3.68 6.45 -2.24 -1.26 -4.95 114.28 112.30 1qwy n THR 288 Ca -0.18 -0.40 -0.14 0.00 -2.27 0.00 0.00 64.05 61.05 1qwy n THR 288 Cb 0.58 1.27 -0.08 0.00 -2.10 0.00 0.00 70.33 69.99 1qwy n THR 288 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1qwy s ALA 289 N -1.72 -1.28 0.02 6.98 0.00 -1.26 -5.12 121.76 119.38 1qwy s ALA 289 Ca 0.17 1.20 -0.35 0.00 0.00 0.00 0.00 51.96 52.98 1qwy s ALA 289 Cb 0.14 -0.49 -0.14 0.00 0.00 0.00 0.00 23.12 22.63 1qwy s ALA 289 CO 0.33 -0.27 1.67 -2.30 0.00 0.00 0.00 175.76 175.18 1qwy n PRO 290 N 2.11 1.92 -3.55 0.00 -0.02 -1.26 -4.86 135.00 129.34 1qwy n PRO 290 Ca -0.16 0.70 -0.08 0.00 -2.02 0.00 0.00 63.50 61.93 1qwy n PRO 290 Cb 0.56 -2.47 -0.02 0.00 -0.02 0.00 0.00 33.50 31.56 1qwy n PRO 290 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1qwy s HIS 291 N 2.22 -0.35 -0.24 6.00 -3.43 -1.06 -2.39 115.29 116.04 1qwy s HIS 291 Ca 0.86 0.15 -0.08 0.00 -0.80 0.00 0.00 55.06 55.19 1qwy s HIS 291 Cb -0.76 0.57 -0.04 0.00 -1.43 0.00 0.00 32.58 30.92 1qwy s HIS 291 CO 0.47 -0.70 0.10 0.08 -2.00 0.00 0.00 174.74 172.68 1qwy s VAL 292 N -3.34 4.68 -0.32 -5.38 1.01 -0.47 -4.53 120.40 112.05 1qwy s VAL 292 Ca 0.06 -0.05 -0.14 0.00 0.00 0.00 0.00 61.98 61.84 1qwy s VAL 292 Cb -0.01 -3.18 -0.02 0.00 0.00 0.00 0.00 36.38 33.17 1qwy s VAL 292 CO -0.07 0.35 0.33 -2.28 0.00 0.00 0.00 175.10 173.43 1qwy s HIS 293 N 1.28 3.22 -0.15 5.22 5.04 -1.26 -1.49 115.29 127.15 1qwy s HIS 293 Ca 0.05 0.06 -0.05 0.00 -1.54 0.00 0.00 55.06 53.59 1qwy s HIS 293 Cb -0.15 -2.60 -0.03 0.00 0.04 0.00 0.00 32.58 29.85 1qwy s HIS 293 CO 0.04 -0.35 0.00 0.12 -2.34 0.00 0.00 174.74 172.22 1qwy s PHE 294 N 1.97 3.12 -0.04 3.88 5.36 -0.43 -2.06 117.98 129.79 1qwy s PHE 294 Ca 0.11 -0.08 0.01 0.00 -0.96 0.00 0.00 56.93 56.01 1qwy s PHE 294 Cb -0.16 -1.97 0.02 0.00 -0.34 0.00 0.00 43.02 40.57 1qwy s PHE 294 CO 0.11 0.12 -0.03 -1.14 -1.46 0.00 0.00 175.22 172.83 1qwy s GLN 295 N 0.13 0.61 -0.08 10.12 0.74 -0.59 -1.02 119.66 129.57 1qwy s GLN 295 Ca 0.01 -0.03 -0.00 0.00 0.05 0.00 0.00 55.36 55.39 1qwy s GLN 295 Cb -0.13 -0.68 -0.03 0.00 1.10 0.00 0.00 33.01 33.26 1qwy s GLN 295 CO 0.02 -0.10 -0.05 0.50 -0.55 0.00 0.00 175.29 175.11 1qwy s ARG 296 N 0.95 2.85 0.04 1.67 3.52 -1.26 -0.63 118.95 126.08 1qwy s ARG 296 Ca -0.11 -0.50 0.02 0.00 -0.13 0.00 0.00 55.73 55.01 1qwy s ARG 296 Cb -0.14 -2.66 -0.02 0.00 -1.56 0.00 0.00 34.95 30.56 1qwy s ARG 296 CO -0.01 0.67 -0.07 -1.64 -0.81 0.00 0.00 175.30 173.44 1qwy s MET 297 N -0.80 0.51 -0.05 5.12 -1.94 0.17 -0.88 119.30 121.44 1qwy s MET 297 Ca 0.12 -0.72 0.01 0.00 -1.71 0.00 0.00 55.69 53.39 1qwy s MET 297 Cb -0.11 -0.28 0.02 0.00 2.01 0.00 0.00 34.83 36.47 1qwy s MET 297 CO 0.02 0.05 -0.04 -1.12 -0.01 0.00 0.00 175.02 173.92 1qwy s SER 298 N -1.48 1.09 0.00 3.03 0.01 -0.19 -0.67 113.70 115.48 1qwy s SER 298 Ca -0.09 -0.13 0.00 0.00 1.31 0.00 0.00 55.95 57.03 1qwy s SER 298 Cb -0.09 -0.47 0.00 0.00 0.21 0.00 0.00 66.02 65.66 1qwy s SER 298 CO 0.00 -0.07 0.00 0.61 0.41 0.00 0.00 173.24 174.19 1qwy n GLY 299 N 4.21 0.73 0.00 3.44 0.00 -0.08 -4.79 105.19 108.70 1qwy n GLY 299 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1qwy n GLY 299 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qwy n GLY 300 N -2.06 -2.38 3.26 -0.02 0.00 -1.26 -0.97 105.19 101.78 1qwy n GLY 300 Ca 0.00 -1.23 -0.32 0.00 0.00 0.00 0.00 46.02 44.47 1qwy n GLY 300 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qwy s ILE 301 N -2.01 2.33 0.00 -0.61 1.01 -0.28 -4.69 121.20 116.96 1qwy s ILE 301 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.73 1qwy s ILE 301 Cb 0.00 -1.91 0.00 0.00 0.01 0.00 0.00 42.46 40.56 1qwy s ILE 301 CO 0.00 0.55 0.00 0.61 0.00 0.00 0.00 174.94 176.10 1qwy n GLY 302 N 3.49 2.53 0.27 6.18 0.00 -1.26 -0.94 105.19 115.45 1qwy n GLY 302 Ca -0.19 -1.97 0.08 0.00 0.00 0.00 0.00 46.02 43.95 1qwy n GLY 302 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1qwy h ASN 303 N 0.00 0.03 0.54 1.61 2.35 -1.84 -0.94 115.58 117.33 1qwy h ASN 303 Ca 0.00 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 1qwy h ASN 303 Cb 0.00 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 1qwy h ASN 303 CO 0.00 0.02 -0.05 1.56 -1.65 0.00 0.00 177.43 177.31 1qwy h GLN 304 N 0.03 0.00 -0.32 0.81 4.20 -1.95 -2.35 115.11 115.53 1qwy h GLN 304 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 1qwy h GLN 304 Cb 0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.83 1qwy h GLN 304 CO -0.00 0.05 0.00 0.66 -0.67 0.00 0.00 178.83 178.86 1qwy n TYR 305 N -3.26 0.42 -1.97 2.96 4.01 -0.37 -5.00 117.16 113.95 1qwy n TYR 305 Ca -0.01 -0.25 -0.41 0.00 -0.16 0.00 0.00 57.90 57.07 1qwy n TYR 305 Cb 0.23 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.24 1qwy n TYR 305 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1qwy s ALA 306 N -1.32 3.54 0.22 -0.72 0.00 -0.89 -1.03 121.76 121.58 1qwy s ALA 306 Ca 0.32 1.40 0.07 0.00 0.00 0.00 0.00 51.96 53.76 1qwy s ALA 306 Cb 0.19 -3.54 -0.05 0.00 0.00 0.00 0.00 23.12 19.72 1qwy s ALA 306 CO 0.26 -0.83 -0.12 0.14 0.00 0.00 0.00 175.76 175.21 1qwy s VAL 307 N -1.05 1.70 -0.08 0.00 -7.23 -0.06 -4.87 120.40 108.82 1qwy s VAL 307 Ca 0.51 -2.19 -0.29 0.00 -1.81 0.00 0.00 61.98 58.20 1qwy s VAL 307 Cb -0.43 -2.14 -0.06 0.00 0.56 0.00 0.00 36.38 34.31 1qwy s VAL 307 CO 0.57 -0.52 1.77 -0.62 -0.31 0.00 0.00 175.10 175.98 1qwy s ASP 308 N -3.35 6.46 0.00 4.85 -1.08 -1.26 -4.41 116.67 117.88 1qwy s ASP 308 Ca 0.24 2.19 0.23 0.00 -0.52 0.00 0.00 52.55 54.70 1qwy s ASP 308 Cb 0.00 -2.53 0.94 0.00 -1.46 0.00 0.00 42.92 39.88 1qwy s ASP 308 CO 0.08 -1.11 1.66 -0.81 0.52 0.00 0.00 175.17 175.52 1qwy n PRO 309 N 7.46 1.60 -0.05 4.34 -0.04 -1.26 -4.46 135.00 142.60 1qwy n PRO 309 Ca 0.19 -0.89 -0.10 0.00 -0.04 0.00 0.00 63.50 62.66 1qwy n PRO 309 Cb 0.43 -1.42 -0.04 0.00 -0.04 0.00 0.00 33.50 32.43 1qwy n PRO 309 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1qwy h THR 310 N 1.91 1.11 -0.38 0.52 2.02 -1.97 -1.06 112.91 115.05 1qwy h THR 310 Ca 0.00 -0.28 -0.10 0.00 0.77 0.00 0.00 66.41 66.80 1qwy h THR 310 Cb 0.41 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 67.76 1qwy h THR 310 CO 0.00 0.10 -0.17 0.77 0.37 0.00 0.00 175.52 176.59 1qwy h SER 311 N 0.20 0.72 -0.50 4.18 4.64 -1.81 0.21 113.55 121.19 1qwy h SER 311 Ca 0.07 -0.23 0.02 0.00 -0.47 0.00 0.00 61.79 61.17 1qwy h SER 311 Cb 0.07 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 61.93 1qwy h SER 311 CO -0.01 0.89 0.31 0.22 -0.87 0.00 0.00 176.83 177.37 1qwy h TYR 312 N 0.64 0.58 0.02 4.77 3.20 -1.69 -3.12 116.97 121.38 1qwy h TYR 312 Ca 0.10 0.02 -0.21 0.00 3.14 0.00 0.00 58.73 61.78 1qwy h TYR 312 Cb 0.65 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 1qwy h TYR 312 CO 0.03 0.35 -0.96 -0.07 -1.64 0.00 0.00 178.16 175.87 1qwy h LEU 313 N 0.63 0.12 -1.10 2.82 3.38 -0.83 0.85 115.31 121.17 1qwy h LEU 313 Ca 0.20 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1qwy h LEU 313 Cb -0.01 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.70 1qwy h LEU 313 CO -0.08 1.00 0.00 0.00 0.09 0.00 0.00 178.44 179.46