#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dwk n PRO 72 N 0.00 1.54 -3.50 -0.24 -0.02 -1.26 -4.73 135.00 126.78 3dwk n PRO 72 Ca 0.00 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 62.04 3dwk n PRO 72 Cb 0.00 -2.30 -0.05 0.00 -0.02 0.00 0.00 33.50 31.13 3dwk n PRO 72 CO 0.00 0.00 0.00 -1.50 1.98 0.00 0.00 175.50 175.98 3dwk s ILE 73 N 2.98 -0.29 0.80 4.25 1.10 -0.25 -4.97 121.20 124.82 3dwk s ILE 73 Ca 0.93 0.00 -0.14 0.00 -0.51 0.00 0.00 60.65 60.93 3dwk s ILE 73 Cb -0.91 -1.00 0.04 0.00 0.15 0.00 0.00 42.46 40.75 3dwk s ILE 73 CO 0.56 0.00 0.92 -0.81 -2.11 0.00 0.00 174.94 173.50 3dwk n PRO 74 N 4.42 0.17 -3.04 3.50 -0.04 -1.26 -0.69 135.00 138.06 3dwk n PRO 74 Ca -0.13 0.12 -0.34 0.00 -0.04 0.00 0.00 63.50 63.11 3dwk n PRO 74 Cb 0.55 -2.20 -0.06 0.00 -0.04 0.00 0.00 33.50 31.74 3dwk n PRO 74 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3dwk s ALA 75 N -2.09 3.30 -0.12 0.55 0.00 -0.93 -4.34 121.76 118.14 3dwk s ALA 75 Ca 0.69 0.20 0.03 0.00 0.00 0.00 0.00 51.96 52.88 3dwk s ALA 75 Cb -0.30 -2.89 -0.00 0.00 0.00 0.00 0.00 23.12 19.93 3dwk s ALA 75 CO 0.55 0.28 -0.21 0.15 0.00 0.00 0.00 175.76 176.53 3dwk s LYS 76 N -2.51 3.13 -0.13 0.00 1.02 -1.08 -1.17 119.74 119.01 3dwk s LYS 76 Ca 0.50 -0.83 -0.03 0.00 0.02 0.00 0.00 55.97 55.64 3dwk s LYS 76 Cb -0.14 -2.41 -0.03 0.00 -0.52 0.00 0.00 37.83 34.73 3dwk s LYS 76 CO 0.19 0.15 -0.02 0.42 -0.92 0.00 0.00 175.35 175.17 3dwk s ILE 77 N 0.43 4.04 -0.02 2.17 1.01 0.40 -0.65 121.20 128.58 3dwk s ILE 77 Ca -0.15 -0.32 0.06 0.00 0.00 0.00 0.00 60.65 60.24 3dwk s ILE 77 Cb -0.17 -2.74 -0.01 0.00 0.01 0.00 0.00 42.46 39.55 3dwk s ILE 77 CO 0.06 0.54 -0.19 -0.31 0.00 0.00 0.00 174.94 175.04 3dwk s TYR 78 N -0.15 1.74 0.00 3.97 1.51 0.32 -1.13 117.35 123.60 3dwk s TYR 78 Ca 0.03 -0.33 0.00 0.00 -1.01 0.00 0.00 57.07 55.76 3dwk s TYR 78 Cb -0.13 -1.12 0.00 0.00 -0.11 0.00 0.00 41.96 40.60 3dwk s TYR 78 CO 0.02 -0.03 0.00 -0.40 -1.11 0.00 0.00 175.55 174.03 3dwk n ASP 79 N 2.62 0.00 0.00 2.29 5.68 -0.74 -0.99 116.55 125.41 3dwk n ASP 79 Ca -0.15 0.00 0.15 0.00 -0.50 0.00 0.00 54.79 54.29 3dwk n ASP 79 Cb 0.53 0.00 0.78 0.00 -1.14 0.00 0.00 41.12 41.29 3dwk n ASP 79 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 3dwk n LYS 80 N 0.00 0.48 -0.05 0.11 2.85 -0.26 -3.04 118.16 118.26 3dwk n LYS 80 Ca 0.00 0.00 0.05 0.00 -1.05 0.00 0.00 58.31 57.31 3dwk n LYS 80 Cb 0.00 -1.50 0.07 0.00 -0.65 0.00 0.00 35.03 32.95 3dwk n LYS 80 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 3dwk n ASN 81 N -1.26 2.12 0.00 -5.58 3.02 -1.26 -4.97 115.26 107.33 3dwk n ASN 81 Ca 0.15 -1.60 0.00 0.00 -0.03 0.00 0.00 54.58 53.11 3dwk n ASN 81 Cb 0.23 -0.07 0.00 0.00 -0.61 0.00 0.00 39.78 39.33 3dwk n ASN 81 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dwk n GLY 82 N 0.47 1.69 3.77 7.41 0.00 -1.17 -5.02 105.19 112.34 3dwk n GLY 82 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 3dwk n GLY 82 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3dwk s GLU 83 N -0.29 4.09 0.07 1.61 2.12 -1.26 -4.76 118.70 120.27 3dwk s GLU 83 Ca 0.00 1.83 -0.31 0.00 0.36 0.00 0.00 54.97 56.85 3dwk s GLU 83 Cb 0.00 -2.70 -0.06 0.00 0.26 0.00 0.00 34.13 31.63 3dwk s GLU 83 CO 0.00 -0.28 1.32 -1.17 -0.54 0.00 0.00 175.26 174.58 3dwk s LEU 84 N -2.45 4.36 -0.09 2.70 2.96 -1.26 -1.79 118.68 123.10 3dwk s LEU 84 Ca 0.56 2.16 -0.05 0.00 -0.22 0.00 0.00 54.13 56.58 3dwk s LEU 84 Cb -0.30 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 42.77 3dwk s LEU 84 CO 0.38 -0.60 -0.13 0.52 -1.32 0.00 0.00 176.35 175.21 3dwk n VAL 85 N 4.10 0.59 -4.03 1.68 0.31 -0.28 -4.92 118.33 115.78 3dwk n VAL 85 Ca 0.11 -0.11 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 3dwk n VAL 85 Cb 0.44 -1.65 -0.11 0.00 -0.91 0.00 0.00 33.84 31.61 3dwk n VAL 85 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 3dwk s LYS 86 N -2.19 0.45 -0.05 5.55 2.47 -1.08 -5.02 119.74 119.87 3dwk s LYS 86 Ca -0.14 -0.83 -0.02 0.00 -1.56 0.00 0.00 55.97 53.42 3dwk s LYS 86 Cb 0.05 0.06 0.03 0.00 -1.46 0.00 0.00 37.83 36.51 3dwk s LYS 86 CO 0.17 -0.05 0.04 -0.08 0.16 0.00 0.00 175.35 175.59 3dwk s THR 87 N -2.22 0.06 -0.75 3.43 -1.32 -1.26 -0.46 115.64 113.12 3dwk s THR 87 Ca -0.07 0.32 -0.27 0.00 -1.21 0.00 0.00 61.69 60.46 3dwk s THR 87 Cb -0.04 -0.28 0.03 0.00 -1.51 0.00 0.00 72.50 70.69 3dwk s THR 87 CO -0.03 0.21 1.36 -0.76 -2.21 0.00 0.00 174.62 173.19 3dwk s LEU 88 N 2.09 3.20 0.00 9.08 1.43 -0.32 -4.91 118.68 129.26 3dwk s LEU 88 Ca 0.05 -0.44 0.00 0.00 -1.03 0.00 0.00 54.13 52.71 3dwk s LEU 88 Cb -0.12 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.54 3dwk s LEU 88 CO -0.04 -1.89 0.00 0.47 0.23 0.00 0.00 176.35 175.13 3dwk n ASP 89 N 9.76 0.00 0.00 2.29 8.00 -1.26 -3.94 116.55 131.41 3dwk n ASP 89 Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.57 3dwk n ASP 89 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 3dwk n ASP 89 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3dwk n ASN 90 N 0.00 0.00 -2.91 -2.24 3.02 -1.26 -4.70 115.26 107.17 3dwk n ASN 90 Ca 0.00 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.18 3dwk n ASN 90 Cb 0.00 -1.02 0.02 0.00 -0.61 0.00 0.00 39.78 38.17 3dwk n ASN 90 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dwk n GLY 91 N -1.48 5.33 2.44 7.41 0.00 -1.26 -4.53 105.19 113.09 3dwk n GLY 91 Ca 0.00 -2.35 -0.18 0.00 0.00 0.00 0.00 46.02 43.48 3dwk n GLY 91 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dwk n GLN 92 N -0.14 0.60 -3.05 1.61 6.02 -1.25 -4.91 117.38 116.26 3dwk n GLN 92 Ca 0.53 -2.69 -0.44 0.00 -0.01 0.00 0.00 57.00 54.39 3dwk n GLN 92 Cb 0.30 -1.40 -0.01 0.00 1.02 0.00 0.00 30.24 30.15 3dwk n GLN 92 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 3dwk s ARG 93 N -0.21 3.94 -0.06 -1.09 0.52 -1.12 -5.01 118.95 115.92 3dwk s ARG 93 Ca 0.33 -2.49 -0.01 0.00 -0.52 0.00 0.00 55.73 53.05 3dwk s ARG 93 Cb 0.14 -4.87 0.03 0.00 0.52 0.00 0.00 34.95 30.77 3dwk s ARG 93 CO -0.16 -1.62 -0.01 -1.58 0.02 0.00 0.00 175.30 171.95 3dwk s HIS 94 N 1.18 0.68 -0.15 -0.53 2.46 -1.26 -2.87 115.29 114.79 3dwk s HIS 94 Ca 0.36 -0.18 0.01 0.00 0.47 0.00 0.00 55.06 55.72 3dwk s HIS 94 Cb -0.05 -0.76 0.00 0.00 -0.13 0.00 0.00 32.58 31.64 3dwk s HIS 94 CO -0.05 -0.29 -0.17 -1.21 -2.47 0.00 0.00 174.74 170.55 3dwk s GLU 95 N 1.68 3.15 0.23 2.88 2.02 -1.26 -4.95 118.70 122.46 3dwk s GLU 95 Ca 0.01 -0.78 -0.30 0.00 0.02 0.00 0.00 54.97 53.92 3dwk s GLU 95 Cb -0.13 -2.56 -0.09 0.00 0.10 0.00 0.00 34.13 31.45 3dwk s GLU 95 CO -0.04 0.01 1.14 -1.58 0.02 0.00 0.00 175.26 174.80 3dwk s HIS 96 N 0.82 3.52 -0.01 1.61 5.65 -1.26 -3.97 115.29 121.64 3dwk s HIS 96 Ca -0.06 1.58 0.04 0.00 0.25 0.00 0.00 55.06 56.88 3dwk s HIS 96 Cb -0.15 -3.34 -0.01 0.00 -1.18 0.00 0.00 32.58 27.90 3dwk s HIS 96 CO -0.01 -0.81 -0.13 0.54 -0.65 0.00 0.00 174.74 173.68 3dwk s VAL 97 N -0.61 1.06 0.30 0.89 0.11 -1.26 -5.03 120.40 115.86 3dwk s VAL 97 Ca 0.48 -0.57 -0.14 0.00 -2.93 0.00 0.00 61.98 58.82 3dwk s VAL 97 Cb -0.32 -0.89 -0.09 0.00 -1.53 0.00 0.00 36.38 33.56 3dwk s VAL 97 CO 0.39 0.30 0.70 0.20 -3.33 0.00 0.00 175.10 173.36 3dwk s ASN 98 N -0.30 6.76 0.52 3.54 -0.87 -1.26 -4.91 114.94 118.42 3dwk s ASN 98 Ca 0.05 1.21 0.28 0.00 -1.57 0.00 0.00 52.86 52.83 3dwk s ASN 98 Cb -0.05 -2.35 1.43 0.00 -0.02 0.00 0.00 41.25 40.26 3dwk s ASN 98 CO -0.00 -0.17 2.06 0.25 -2.57 0.00 0.00 177.10 176.66 3dwk h LEU 99 N 2.37 0.00 -0.63 0.60 5.85 -1.95 -0.97 115.31 120.57 3dwk h LEU 99 Ca -0.48 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.16 3dwk h LEU 99 Cb 1.17 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.19 3dwk h LEU 99 CO 0.66 0.12 -0.38 0.07 -0.34 0.00 0.00 178.44 178.57 3dwk h LYS 100 N 0.00 0.00 -0.29 1.25 2.10 -2.01 -3.14 116.57 114.49 3dwk h LYS 100 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3dwk h LYS 100 Cb 0.36 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.69 3dwk h LYS 100 CO 0.02 0.38 0.00 -0.25 -2.00 0.00 0.00 179.45 177.60 3dwk n ASP 101 N -3.38 1.76 -4.55 7.07 8.00 -0.37 -4.77 116.55 120.31 3dwk n ASP 101 Ca 0.01 -1.90 -0.37 0.00 0.71 0.00 0.00 54.79 53.23 3dwk n ASP 101 Cb 0.57 -0.19 -0.11 0.00 -0.02 0.00 0.00 41.12 41.37 3dwk n ASP 101 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3dwk s VAL 102 N -1.62 4.97 0.08 2.53 1.01 -1.19 -4.83 120.40 121.34 3dwk s VAL 102 Ca 0.26 0.05 -0.36 0.00 0.00 0.00 0.00 61.98 61.93 3dwk s VAL 102 Cb 0.14 -3.35 -0.18 0.00 0.00 0.00 0.00 36.38 32.98 3dwk s VAL 102 CO 0.19 0.29 1.07 -2.65 0.00 0.00 0.00 175.10 174.00 3dwk n PRO 103 N 4.96 0.46 -0.24 2.72 -0.02 -1.26 -4.82 135.00 136.79 3dwk n PRO 103 Ca -0.15 0.17 0.05 0.00 -2.02 0.00 0.00 63.50 61.55 3dwk n PRO 103 Cb 0.52 -1.63 0.17 0.00 -0.02 0.00 0.00 33.50 32.54 3dwk n PRO 103 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 3dwk h LYS 104 N 3.12 0.27 -0.02 -0.52 1.63 -1.97 -0.94 116.57 118.15 3dwk h LYS 104 Ca -0.46 -0.02 -0.06 0.00 -0.85 0.00 0.00 60.65 59.26 3dwk h LYS 104 Cb 1.39 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 32.95 3dwk h LYS 104 CO 0.68 0.18 -0.29 0.66 -3.45 0.00 0.00 179.45 177.23 3dwk h SER 105 N 0.28 0.04 -0.10 4.20 4.64 -1.98 0.17 113.55 120.81 3dwk h SER 105 Ca 0.41 -0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.69 3dwk h SER 105 Cb 0.68 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.75 3dwk h SER 105 CO -0.49 0.33 -0.04 -0.03 -0.87 0.00 0.00 176.83 175.74 3dwk h MET 106 N 0.04 0.19 -0.78 4.77 1.85 -1.54 -1.36 114.93 118.10 3dwk h MET 106 Ca 0.00 -0.08 -0.04 0.00 -0.61 0.00 0.00 59.70 58.97 3dwk h MET 106 Cb 0.53 -0.01 -0.03 0.00 0.43 0.00 0.00 31.60 32.52 3dwk h MET 106 CO 0.04 0.53 0.32 0.87 -0.40 0.00 0.00 176.91 178.27 3dwk h LYS 107 N -0.16 1.16 -0.69 0.39 1.57 -0.92 -1.33 116.57 116.60 3dwk h LYS 107 Ca 0.02 -0.21 0.03 0.00 -1.87 0.00 0.00 60.65 58.63 3dwk h LYS 107 Cb 0.47 -0.19 -0.04 0.00 0.08 0.00 0.00 32.23 32.55 3dwk h LYS 107 CO 0.01 0.94 0.43 -0.44 -0.57 0.00 0.00 179.45 179.82 3dwk h ASP 108 N 1.13 0.70 0.63 0.86 3.32 -0.64 -1.21 116.42 121.22 3dwk h ASP 108 Ca 0.26 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.29 3dwk h ASP 108 Cb 0.21 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 39.61 3dwk h ASP 108 CO -0.02 0.48 -0.35 0.00 -1.72 0.00 0.00 179.24 177.63 3dwk h ALA 109 N 1.30 -0.93 -0.24 3.45 0.00 -0.68 -0.87 119.26 121.29 3dwk h ALA 109 Ca 0.28 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3dwk h ALA 109 Cb 0.03 0.42 -0.06 0.00 0.00 0.00 0.00 17.79 18.18 3dwk h ALA 109 CO -0.11 -1.03 -0.45 0.28 0.00 0.00 0.00 179.25 177.94 3dwk h VAL 110 N -0.92 0.00 0.10 0.00 2.07 -1.02 -2.29 116.25 114.19 3dwk h VAL 110 Ca -0.08 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.46 3dwk h VAL 110 Cb 0.73 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.45 3dwk h VAL 110 CO 0.11 0.00 -0.45 -0.07 0.02 0.00 0.00 177.57 177.18 3dwk h LEU 111 N -0.39 -1.33 -1.25 2.57 3.38 -1.21 0.14 115.31 117.22 3dwk h LEU 111 Ca 0.04 0.15 0.36 0.00 0.09 0.00 0.00 57.88 58.52 3dwk h LEU 111 Cb 0.51 0.50 -0.13 0.00 0.09 0.00 0.00 40.66 41.63 3dwk h LEU 111 CO -0.43 -0.50 0.71 0.00 0.09 0.00 0.00 178.44 178.30 3dwk h ALA 112 N -0.25 2.34 0.00 1.53 0.00 -0.99 -0.25 119.26 121.65 3dwk h ALA 112 Ca 0.02 0.13 -0.26 0.00 0.00 0.00 0.00 54.91 54.80 3dwk h ALA 112 Cb 0.70 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 3dwk h ALA 112 CO -0.27 -0.93 -1.73 -2.37 0.00 0.00 0.00 179.25 173.96 3dwk n THR 113 N -4.82 1.43 -0.10 0.00 5.66 -0.60 -4.63 114.28 111.22 3dwk n THR 113 Ca 0.33 -0.77 -0.17 0.00 -3.05 0.00 0.00 64.05 60.39 3dwk n THR 113 Cb 1.15 -0.86 -0.09 0.00 -1.55 0.00 0.00 70.33 68.99 3dwk n THR 113 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3dwk n GLU 114 N -2.95 0.48 -2.72 1.09 -0.58 0.38 -4.94 120.64 111.40 3dwk n GLU 114 Ca -0.17 0.14 -0.05 0.00 -0.42 0.00 0.00 57.16 56.67 3dwk n GLU 114 Cb 1.00 -1.35 0.03 0.00 -0.57 0.00 0.00 31.44 30.55 3dwk n GLU 114 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 3dwk n ASP 115 N -3.37 -2.51 -0.13 1.62 -0.08 -0.20 -4.41 116.55 107.47 3dwk n ASP 115 Ca -0.37 -2.28 -0.06 0.00 -1.51 0.00 0.00 54.79 50.57 3dwk n ASP 115 Cb 0.85 1.35 0.02 0.00 2.34 0.00 0.00 41.12 45.67 3dwk n ASP 115 CO 0.00 0.00 0.00 -1.13 0.12 0.00 0.00 177.20 176.19 3dwk h ASN 116 N 4.35 0.31 -1.04 1.67 -0.00 -1.56 -2.25 115.58 117.07 3dwk h ASN 116 Ca -0.03 0.02 -0.52 0.00 -0.00 0.00 0.00 56.30 55.76 3dwk h ASN 116 Cb 1.12 -0.04 -0.20 0.00 -0.00 0.00 0.00 38.32 39.20 3dwk h ASN 116 CO 0.01 0.22 0.59 0.54 -0.00 0.00 0.00 177.43 178.79 3dwk n ARG 117 N -4.91 2.33 -0.11 6.67 1.74 -1.26 -4.64 116.66 116.48 3dwk n ARG 117 Ca 0.02 -2.47 -0.11 0.00 -0.77 0.00 0.00 57.85 54.51 3dwk n ARG 117 Cb 0.10 -2.04 0.01 0.00 -1.02 0.00 0.00 32.46 29.51 3dwk n ARG 117 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3dwk h PHE 118 N 2.40 1.05 0.00 -1.55 3.04 -1.79 -2.12 116.94 117.96 3dwk h PHE 118 Ca 0.43 -0.29 -0.03 0.00 3.98 0.00 0.00 57.97 62.06 3dwk h PHE 118 Cb 0.68 -0.23 -0.00 0.00 2.56 0.00 0.00 35.95 38.95 3dwk h PHE 118 CO 1.23 1.10 -0.14 1.88 -2.02 0.00 0.00 178.31 180.35 3dwk h TYR 119 N 0.74 0.00 0.00 0.41 -1.99 -1.86 -3.36 116.97 110.92 3dwk h TYR 119 Ca 0.07 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.80 3dwk h TYR 119 Cb 0.90 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.63 3dwk h TYR 119 CO 0.05 0.14 -0.09 0.93 -0.00 0.00 0.00 178.16 179.19 3dwk h GLU 120 N 0.00 0.00 0.00 4.88 5.08 -1.87 -3.42 114.58 119.25 3dwk h GLU 120 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3dwk h GLU 120 Cb 0.68 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.93 3dwk h GLU 120 CO 0.02 0.00 0.00 -2.39 -1.00 0.00 0.00 179.01 175.64 3dwk n HIS 121 N -2.98 0.00 -4.56 4.33 1.44 -0.82 -4.95 115.22 107.68 3dwk n HIS 121 Ca -0.01 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.70 3dwk n HIS 121 Cb 0.05 -0.20 0.00 0.00 0.12 0.00 0.00 29.99 29.95 3dwk n HIS 121 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 3dwk n GLY 122 N -0.85 -0.02 0.53 -1.39 0.00 -1.26 -4.39 105.19 97.81 3dwk n GLY 122 Ca 0.03 -1.00 -0.20 0.00 0.00 0.00 0.00 46.02 44.85 3dwk n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dwk h ALA 123 N -0.56 -1.28 -2.50 4.61 0.00 -1.92 -3.42 119.26 114.18 3dwk h ALA 123 Ca 0.00 -0.26 -0.53 0.00 0.00 0.00 0.00 54.91 54.12 3dwk h ALA 123 Cb 0.00 0.61 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3dwk h ALA 123 CO 0.00 -1.24 -0.22 -0.51 0.00 0.00 0.00 179.25 177.28 3dwk s LEU 124 N -10.04 4.14 -0.54 0.00 1.43 -1.26 -4.64 118.68 107.77 3dwk s LEU 124 Ca -0.19 0.61 -0.17 0.00 -1.03 0.00 0.00 54.13 53.35 3dwk s LEU 124 Cb 0.03 -3.40 0.11 0.00 0.03 0.00 0.00 46.19 42.96 3dwk s LEU 124 CO 0.60 -0.11 0.54 -0.62 0.23 0.00 0.00 176.35 177.00 3dwk s ASP 125 N -3.04 6.18 0.26 2.29 3.68 -1.26 -4.85 116.67 119.94 3dwk s ASP 125 Ca 0.42 -1.56 0.13 0.00 2.13 0.00 0.00 52.55 53.67 3dwk s ASP 125 Cb -0.11 -2.23 0.17 0.00 -1.45 0.00 0.00 42.92 39.30 3dwk s ASP 125 CO 0.29 -0.89 1.49 1.88 0.13 0.00 0.00 175.17 178.06 3dwk h TYR 126 N 8.95 0.00 0.03 -5.34 0.05 -1.97 -1.45 116.97 117.24 3dwk h TYR 126 Ca -0.29 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.48 3dwk h TYR 126 Cb 1.10 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.84 3dwk h TYR 126 CO 0.74 0.61 -0.01 0.87 -1.05 0.00 0.00 178.16 179.32 3dwk h LYS 127 N 0.00 -0.03 -0.37 4.88 1.57 -1.92 -2.52 116.57 118.18 3dwk h LYS 127 Ca -0.01 0.00 0.07 0.00 -1.87 0.00 0.00 60.65 58.85 3dwk h LYS 127 Cb 1.34 0.01 -0.09 0.00 0.08 0.00 0.00 32.23 33.57 3dwk h LYS 127 CO 0.08 0.45 -0.37 0.00 -0.57 0.00 0.00 179.45 179.04 3dwk h ARG 128 N -0.53 -0.29 -0.76 3.15 3.08 -1.81 -2.52 114.38 114.70 3dwk h ARG 128 Ca -0.00 0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.18 3dwk h ARG 128 Cb 0.50 0.07 -0.08 0.00 0.08 0.00 0.00 29.97 30.54 3dwk h ARG 128 CO 0.01 -0.19 0.38 1.25 -1.07 0.00 0.00 179.97 180.34 3dwk h LEU 129 N -0.30 0.48 0.00 3.04 5.85 -1.25 -3.39 115.31 119.73 3dwk h LEU 129 Ca 0.15 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.94 3dwk h LEU 129 Cb 0.56 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.59 3dwk h LEU 129 CO -0.53 0.25 0.00 0.49 -0.34 0.00 0.00 178.44 178.31 3dwk n PHE 130 N -4.87 0.00 -3.18 1.25 0.99 -0.95 -5.11 117.46 105.60 3dwk n PHE 130 Ca 0.13 0.00 -0.24 0.00 -0.00 0.00 0.00 57.45 57.34 3dwk n PHE 130 Cb 0.32 0.00 -0.05 0.00 -1.00 0.00 0.00 39.48 38.75 3dwk n PHE 130 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3dwk n GLY 131 N 2.79 4.27 0.00 1.37 0.00 -0.98 -5.08 105.19 107.55 3dwk n GLY 131 Ca 0.00 -2.22 0.00 0.00 0.00 0.00 0.00 46.02 43.80 3dwk n GLY 131 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3dwk n SER 147 N 0.54 0.00 -3.64 1.61 2.88 -1.26 -4.69 113.62 109.06 3dwk n SER 147 Ca 0.27 0.00 -0.14 0.00 -1.33 0.00 0.00 58.87 57.67 3dwk n SER 147 Cb 0.50 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.89 3dwk n SER 147 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3dwk s THR 148 N 0.00 -0.00 0.26 2.46 -1.32 -1.26 -4.78 115.64 110.99 3dwk s THR 148 Ca 0.00 0.00 -0.09 0.00 -1.21 0.00 0.00 61.69 60.39 3dwk s THR 148 Cb 0.00 -0.98 0.37 0.00 -1.51 0.00 0.00 72.50 70.38 3dwk s THR 148 CO 0.00 0.00 1.59 -0.07 -2.21 0.00 0.00 174.62 173.93 3dwk h LEU 149 N 5.13 -0.74 -0.06 9.08 3.38 -1.90 0.75 115.31 130.96 3dwk h LEU 149 Ca -0.29 0.25 0.04 0.00 0.09 0.00 0.00 57.88 57.97 3dwk h LEU 149 Cb 1.16 0.51 -0.05 0.00 0.09 0.00 0.00 40.66 42.38 3dwk h LEU 149 CO 0.07 -0.28 -0.21 0.74 0.09 0.00 0.00 178.44 178.84 3dwk h THR 150 N 0.01 0.49 -0.61 0.22 2.02 -1.92 -1.84 112.91 111.27 3dwk h THR 150 Ca 0.42 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.70 3dwk h THR 150 Cb 0.67 0.49 -0.07 0.00 -1.74 0.00 0.00 68.15 67.49 3dwk h THR 150 CO -0.86 0.00 0.22 -0.61 0.37 0.00 0.00 175.52 174.63 3dwk h GLN 151 N -0.31 0.38 0.47 6.66 4.15 -1.17 -2.20 115.11 123.10 3dwk h GLN 151 Ca 0.08 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 3dwk h GLN 151 Cb 0.42 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.00 3dwk h GLN 151 CO -0.23 0.25 -0.45 1.96 -1.93 0.00 0.00 178.83 178.42 3dwk h GLN 152 N 0.39 -0.90 -0.98 1.69 1.08 -0.68 0.29 115.11 116.01 3dwk h GLN 152 Ca 0.31 0.06 0.33 0.00 -1.45 0.00 0.00 58.65 57.90 3dwk h GLN 152 Cb 0.39 0.20 -0.16 0.00 -0.05 0.00 0.00 27.48 27.86 3dwk h GLN 152 CO -0.31 -0.60 0.49 0.28 -0.95 0.00 0.00 178.83 177.73 3dwk h VAL 153 N -0.93 0.22 0.02 -0.54 2.07 -1.07 0.12 116.25 116.14 3dwk h VAL 153 Ca -0.05 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 3dwk h VAL 153 Cb 0.81 -0.02 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 3dwk h VAL 153 CO -0.05 0.04 -0.01 0.58 0.02 0.00 0.00 177.57 178.15 3dwk h VAL 154 N 0.22 1.19 -0.98 2.57 2.07 -0.75 -3.26 116.25 117.30 3dwk h VAL 154 Ca 0.73 -1.78 0.30 0.00 0.82 0.00 0.00 66.70 66.77 3dwk h VAL 154 Cb 1.69 2.19 -0.15 0.00 -1.52 0.00 0.00 31.29 33.51 3dwk h VAL 154 CO -0.67 0.38 0.50 0.50 0.02 0.00 0.00 177.57 178.31 3dwk h LYS 155 N -0.96 0.30 -0.46 1.57 3.64 -0.05 0.20 116.57 120.80 3dwk h LYS 155 Ca -0.00 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.38 3dwk h LYS 155 Cb 0.66 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 3dwk h LYS 155 CO 0.01 0.20 0.31 0.22 -2.27 0.00 0.00 179.45 177.91 3dwk h ASP 156 N 0.30 0.48 0.00 4.20 3.58 -1.05 -3.36 116.42 120.58 3dwk h ASP 156 Ca 0.70 -0.01 -0.25 0.00 0.42 0.00 0.00 57.03 57.89 3dwk h ASP 156 Cb 1.55 -0.12 -0.04 0.00 1.72 0.00 0.00 39.33 42.44 3dwk h ASP 156 CO -0.62 0.34 -1.41 0.00 -2.88 0.00 0.00 179.24 174.68 3dwk n ALA 157 N -2.48 0.83 -0.09 -0.78 0.00 0.68 -4.64 120.51 114.03 3dwk n ALA 157 Ca 0.04 -0.58 0.07 0.00 0.00 0.00 0.00 53.44 52.97 3dwk n ALA 157 Cb 0.10 -0.40 0.17 0.00 0.00 0.00 0.00 19.45 19.31 3dwk n ALA 157 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 3dwk n PHE 158 N -4.42 0.48 -2.72 0.00 -1.74 -1.21 -4.38 117.46 103.46 3dwk n PHE 158 Ca -0.34 -0.42 -0.20 0.00 -0.56 0.00 0.00 57.45 55.93 3dwk n PHE 158 Cb 0.68 -0.02 0.03 0.00 1.52 0.00 0.00 39.48 41.69 3dwk n PHE 158 CO 0.00 0.00 0.00 -1.17 -0.56 0.00 0.00 176.76 175.03 3dwk s LEU 159 N -1.02 3.36 0.00 5.98 1.98 -1.26 -5.15 118.68 122.57 3dwk s LEU 159 Ca 0.26 -0.11 0.00 0.00 -2.89 0.00 0.00 54.13 51.40 3dwk s LEU 159 Cb 0.14 -2.82 0.00 0.00 0.66 0.00 0.00 46.19 44.17 3dwk s LEU 159 CO 0.19 -1.06 0.00 -1.20 -1.89 0.00 0.00 176.35 172.39 3dwk n SER 164 N -2.24 0.00 0.00 3.68 7.64 -1.26 -5.04 113.62 116.40 3dwk n SER 164 Ca 0.08 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.96 3dwk n SER 164 Cb 0.60 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.80 3dwk n SER 164 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3dwk n ILE 165 N 0.00 0.00 -1.85 0.44 3.06 -1.26 -4.95 119.36 114.79 3dwk n ILE 165 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 3dwk n ILE 165 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 3dwk n ILE 165 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3dwk n GLY 166 N -0.44 0.84 0.00 4.50 0.00 -1.26 -4.73 105.19 104.10 3dwk n GLY 166 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 3dwk n GLY 166 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3dwk n ARG 167 N 0.00 0.04 0.18 1.61 1.85 -1.26 0.02 116.66 119.11 3dwk n ARG 167 Ca 0.00 0.30 0.05 0.00 -1.00 0.00 0.00 57.85 57.20 3dwk n ARG 167 Cb 0.32 -1.50 0.32 0.00 -1.05 0.00 0.00 32.46 30.55 3dwk n ARG 167 CO 0.00 0.00 0.00 0.87 -0.01 0.00 0.00 177.63 178.49 3dwk h LYS 168 N 0.00 0.00 -0.06 2.89 6.56 -1.98 -3.05 116.57 120.93 3dwk h LYS 168 Ca 0.00 0.00 -0.17 0.00 -1.06 0.00 0.00 60.65 59.42 3dwk h LYS 168 Cb 0.12 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.77 3dwk h LYS 168 CO 0.00 0.40 -0.69 0.00 -2.06 0.00 0.00 179.45 177.10 3dwk h ALA 169 N 1.60 0.71 -0.05 3.86 0.00 -0.75 -1.01 119.26 123.62 3dwk h ALA 169 Ca -0.00 -0.59 -0.09 0.00 0.00 0.00 0.00 54.91 54.23 3dwk h ALA 169 Cb 0.90 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3dwk h ALA 169 CO 0.05 0.77 -0.37 1.96 0.00 0.00 0.00 179.25 181.67 3dwk h GLN 170 N 0.21 0.10 0.33 0.00 4.20 -1.51 0.43 115.11 118.88 3dwk h GLN 170 Ca -0.02 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 3dwk h GLN 170 Cb 1.24 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.02 3dwk h GLN 170 CO 0.11 0.46 -0.16 0.93 -0.67 0.00 0.00 178.83 179.50 3dwk h GLU 171 N 0.09 -0.43 -0.52 1.46 5.08 -1.40 0.58 114.58 119.43 3dwk h GLU 171 Ca 0.01 0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.50 3dwk h GLU 171 Cb 0.69 0.10 -0.10 0.00 0.50 0.00 0.00 28.75 29.94 3dwk h GLU 171 CO 0.05 -0.16 -0.15 0.00 -1.00 0.00 0.00 179.01 177.75 3dwk h ALA 172 N -0.08 0.32 -0.20 3.43 0.00 -0.70 0.57 119.26 122.58 3dwk h ALA 172 Ca -0.05 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3dwk h ALA 172 Cb 0.47 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3dwk h ALA 172 CO 0.08 -0.45 0.06 -0.92 0.00 0.00 0.00 179.25 178.01 3dwk h TYR 173 N -0.02 0.33 -0.92 0.00 5.03 -0.08 0.12 116.97 121.43 3dwk h TYR 173 Ca 0.25 -0.04 -0.00 0.00 2.58 0.00 0.00 58.73 61.52 3dwk h TYR 173 Cb 0.40 -0.09 -0.04 0.00 1.55 0.00 0.00 36.73 38.54 3dwk h TYR 173 CO -0.45 0.42 0.56 -0.07 -1.32 0.00 0.00 178.16 177.30 3dwk h LEU 174 N 0.15 1.09 -0.56 2.82 4.07 -0.38 0.26 115.31 122.76 3dwk h LEU 174 Ca 0.06 -0.06 -0.01 0.00 0.08 0.00 0.00 57.88 57.95 3dwk h LEU 174 Cb 0.25 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 41.69 3dwk h LEU 174 CO -0.00 0.83 0.31 0.28 -1.08 0.00 0.00 178.44 178.78 3dwk h SER 175 N 1.26 0.70 0.51 -0.43 0.02 0.45 0.22 113.55 116.29 3dwk h SER 175 Ca 0.33 -0.09 -0.02 0.00 -0.84 0.00 0.00 61.79 61.17 3dwk h SER 175 Cb -0.06 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.29 3dwk h SER 175 CO -0.06 0.59 -0.39 0.22 -1.14 0.00 0.00 176.83 176.05 3dwk h TYR 176 N 0.76 -1.03 -0.51 3.45 5.03 -0.14 -0.10 116.97 124.42 3dwk h TYR 176 Ca 0.20 -0.00 0.10 0.00 2.58 0.00 0.00 58.73 61.61 3dwk h TYR 176 Cb 0.04 0.38 -0.10 0.00 1.55 0.00 0.00 36.73 38.61 3dwk h TYR 176 CO -0.01 -0.56 -0.18 0.00 -1.32 0.00 0.00 178.16 176.09 3dwk h ARG 177 N -0.88 -0.06 -0.66 1.82 2.47 -0.62 0.91 114.38 117.35 3dwk h ARG 177 Ca -0.06 0.00 0.03 0.00 -1.26 0.00 0.00 59.98 58.70 3dwk h ARG 177 Cb 0.74 0.01 -0.04 0.00 -1.65 0.00 0.00 29.97 29.04 3dwk h ARG 177 CO 0.01 -0.04 0.44 1.25 0.56 0.00 0.00 179.97 182.19 3dwk h LEU 178 N -0.06 0.69 -0.90 3.04 6.46 -0.41 0.73 115.31 124.86 3dwk h LEU 178 Ca 0.24 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 58.00 3dwk h LEU 178 Cb 0.43 -0.16 0.00 0.00 -0.73 0.00 0.00 40.66 40.20 3dwk h LEU 178 CO -0.56 0.48 0.00 -0.33 -0.62 0.00 0.00 178.44 177.41 3dwk h GLU 179 N 0.80 0.00 0.00 1.25 4.39 0.11 -0.65 114.58 120.47 3dwk h GLU 179 Ca 0.26 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.71 3dwk h GLU 179 Cb 0.06 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.66 3dwk h GLU 179 CO -0.07 0.00 -1.48 1.96 -1.16 0.00 0.00 179.01 178.26 3dwk h GLN 180 N 0.00 0.00 0.08 2.33 1.08 0.68 -3.39 115.11 115.88 3dwk h GLN 180 Ca 0.00 0.00 -0.29 0.00 -1.45 0.00 0.00 58.65 56.91 3dwk h GLN 180 Cb 0.63 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.04 3dwk h GLN 180 CO 0.00 0.58 -1.53 0.93 -0.95 0.00 0.00 178.83 177.87 3dwk h GLU 181 N 0.00 0.17 -6.51 1.46 5.08 -0.97 -3.48 114.58 110.33 3dwk h GLU 181 Ca -0.20 -0.28 -0.68 0.00 -1.00 0.00 0.00 59.36 57.19 3dwk h GLU 181 Cb 1.89 0.11 -0.20 0.00 0.50 0.00 0.00 28.75 31.05 3dwk h GLU 181 CO 0.09 1.14 -0.78 0.71 -1.00 0.00 0.00 179.01 179.17 3dwk s TYR 182 N -2.46 2.65 1.17 4.33 1.51 -0.27 -5.10 117.35 119.18 3dwk s TYR 182 Ca -0.24 -0.20 -0.18 0.00 -1.01 0.00 0.00 57.07 55.45 3dwk s TYR 182 Cb 0.05 -1.49 0.27 0.00 -0.11 0.00 0.00 41.96 40.68 3dwk s TYR 182 CO 0.71 0.30 1.11 -1.54 -1.11 0.00 0.00 175.55 175.01 3dwk s SER 183 N -1.50 1.19 0.28 2.29 1.04 -1.26 -4.54 113.70 111.19 3dwk s SER 183 Ca 0.16 0.72 0.02 0.00 0.48 0.00 0.00 55.95 57.33 3dwk s SER 183 Cb -0.11 -1.03 0.40 0.00 0.10 0.00 0.00 66.02 65.38 3dwk s SER 183 CO 0.06 -3.97 1.72 0.11 0.98 0.00 0.00 173.24 172.15 3dwk h LYS 184 N -2.47 0.50 -0.24 4.02 1.79 -1.97 -1.43 116.57 116.76 3dwk h LYS 184 Ca -0.47 -0.19 -0.08 0.00 -2.18 0.00 0.00 60.65 57.74 3dwk h LYS 184 Cb 1.30 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.91 3dwk h LYS 184 CO 0.38 0.71 -0.15 -0.44 -1.08 0.00 0.00 179.45 178.87 3dwk h ASP 185 N 0.44 0.55 -0.43 0.86 3.32 -1.98 0.17 116.42 119.34 3dwk h ASP 185 Ca 0.07 -0.43 0.07 0.00 0.02 0.00 0.00 57.03 56.76 3dwk h ASP 185 Cb 0.66 -0.15 -0.06 0.00 0.22 0.00 0.00 39.33 40.00 3dwk h ASP 185 CO 0.05 0.86 0.08 0.44 -1.72 0.00 0.00 179.24 178.94 3dwk h ASP 186 N 0.24 -0.01 -0.15 6.45 3.45 -1.85 0.19 116.42 124.73 3dwk h ASP 186 Ca 0.05 0.08 -0.02 0.00 0.43 0.00 0.00 57.03 57.56 3dwk h ASP 186 Cb 0.66 0.11 -0.01 0.00 -0.56 0.00 0.00 39.33 39.54 3dwk h ASP 186 CO 0.04 0.03 0.00 0.40 -1.57 0.00 0.00 179.24 178.14 3dwk h ILE 187 N 0.20 1.25 -0.98 0.35 2.04 -1.19 -1.22 117.51 117.97 3dwk h ILE 187 Ca 0.21 -0.83 0.08 0.00 1.00 0.00 0.00 64.86 65.31 3dwk h ILE 187 Cb 0.27 1.51 -0.07 0.00 -0.74 0.00 0.00 36.82 37.78 3dwk h ILE 187 CO -0.28 0.25 0.62 0.15 0.00 0.00 0.00 178.15 178.88 3dwk h PHE 188 N 0.01 1.15 0.01 1.37 3.57 -0.71 -0.75 116.94 121.58 3dwk h PHE 188 Ca 0.04 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.57 3dwk h PHE 188 Cb 0.37 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.74 3dwk h PHE 188 CO 0.03 0.57 -0.00 0.37 -2.23 0.00 0.00 178.31 177.04 3dwk h GLN 189 N 1.10 -0.01 -0.91 1.11 4.15 -0.80 -2.14 115.11 117.61 3dwk h GLN 189 Ca 0.43 0.00 0.16 0.00 0.77 0.00 0.00 58.65 60.01 3dwk h GLN 189 Cb 0.23 0.00 -0.07 0.00 0.21 0.00 0.00 27.48 27.85 3dwk h GLN 189 CO -0.19 0.26 0.59 0.28 -1.93 0.00 0.00 178.83 177.84 3dwk h VAL 190 N -0.28 0.80 -0.21 2.39 2.07 -0.64 0.62 116.25 120.99 3dwk h VAL 190 Ca -0.00 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.29 3dwk h VAL 190 Cb 0.28 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 3dwk h VAL 190 CO 0.00 0.12 0.13 0.22 0.02 0.00 0.00 177.57 178.06 3dwk h TYR 191 N 0.67 0.28 0.00 1.57 5.03 -0.91 -1.62 116.97 121.99 3dwk h TYR 191 Ca 0.47 -0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.78 3dwk h TYR 191 Cb 0.80 -0.09 0.00 0.00 1.55 0.00 0.00 36.73 38.99 3dwk h TYR 191 CO -0.00 0.22 0.00 1.28 -1.32 0.00 0.00 178.16 178.33 3dwk n LEU 192 N -4.91 0.33 -0.00 2.82 4.77 0.08 -2.86 117.00 117.22 3dwk n LEU 192 Ca -0.03 0.57 0.07 0.00 -0.03 0.00 0.00 56.01 56.59 3dwk n LEU 192 Cb 0.05 -0.52 -0.09 0.00 -2.33 0.00 0.00 43.42 40.53 3dwk n LEU 192 CO 0.34 -0.37 -0.32 0.59 -1.33 0.00 0.00 177.39 176.31 3dwk n ASN 193 N -1.86 1.17 0.00 -1.43 3.02 -0.42 -1.77 115.26 113.97 3dwk n ASN 193 Ca 0.03 -0.45 0.00 0.00 -0.03 0.00 0.00 54.58 54.13 3dwk n ASN 193 Cb 0.22 1.29 0.00 0.00 -0.61 0.00 0.00 39.78 40.68 3dwk n ASN 193 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3dwk n LYS 194 N -1.62 3.83 -2.77 3.52 5.02 -0.65 -4.01 118.16 121.48 3dwk n LYS 194 Ca 0.00 0.00 -0.34 0.00 -2.02 0.00 0.00 58.31 55.95 3dwk n LYS 194 Cb 0.28 -0.30 -0.06 0.00 -0.02 0.00 0.00 35.03 34.93 3dwk n LYS 194 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3dwk s ILE 195 N -0.58 4.27 0.10 -0.18 -4.36 -1.13 -4.76 121.20 114.56 3dwk s ILE 195 Ca 0.00 1.49 -0.26 0.00 -0.26 0.00 0.00 60.65 61.62 3dwk s ILE 195 Cb 0.00 -3.65 -0.06 0.00 1.25 0.00 0.00 42.46 40.00 3dwk s ILE 195 CO 0.00 -0.23 0.82 -0.47 0.24 0.00 0.00 174.94 175.30 3dwk s TYR 196 N -2.06 3.82 -0.12 1.37 6.14 -1.26 -2.18 117.35 123.05 3dwk s TYR 196 Ca 0.61 1.61 0.10 0.00 0.64 0.00 0.00 57.07 60.03 3dwk s TYR 196 Cb -0.12 -2.86 0.19 0.00 0.42 0.00 0.00 41.96 39.59 3dwk s TYR 196 CO 0.16 0.34 1.11 0.66 0.64 0.00 0.00 175.55 178.46 3dwk n TYR 197 N 2.37 0.09 0.00 4.97 4.02 0.22 -4.51 117.16 124.33 3dwk n TYR 197 Ca -0.02 -0.76 0.00 0.00 -0.01 0.00 0.00 57.90 57.11 3dwk n TYR 197 Cb 0.49 -0.11 0.00 0.00 -0.02 0.00 0.00 39.34 39.70 3dwk n TYR 197 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 3dwk n SER 198 N -0.88 0.00 -3.54 7.72 2.88 -1.25 -4.76 113.62 113.79 3dwk n SER 198 Ca 0.09 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.41 3dwk n SER 198 Cb 0.48 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.90 3dwk n SER 198 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3dwk n ASP 199 N -2.11 -1.52 -0.96 -3.46 10.43 -1.26 -0.08 116.55 117.59 3dwk n ASP 199 Ca 0.00 -0.40 -0.08 0.00 2.57 0.00 0.00 54.79 56.88 3dwk n ASP 199 Cb 0.00 -1.38 -0.00 0.00 1.84 0.00 0.00 41.12 41.57 3dwk n ASP 199 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3dwk n GLY 200 N -0.80 0.05 3.57 0.44 0.00 -1.26 -4.88 105.19 102.30 3dwk n GLY 200 Ca 0.06 -0.53 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 3dwk n GLY 200 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dwk s VAL 201 N -2.42 4.50 -0.12 1.61 1.01 0.88 -2.79 120.40 123.06 3dwk s VAL 201 Ca 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 61.86 3dwk s VAL 201 Cb 0.00 -3.03 0.02 0.00 0.00 0.00 0.00 36.38 33.37 3dwk s VAL 201 CO 0.00 0.44 -0.15 0.42 0.00 0.00 0.00 175.10 175.81 3dwk s THR 202 N 0.60 1.54 0.00 3.92 -4.23 -1.14 0.73 115.64 117.06 3dwk s THR 202 Ca 0.02 -0.64 0.00 0.00 -1.18 0.00 0.00 61.69 59.88 3dwk s THR 202 Cb -0.13 -1.42 0.00 0.00 1.34 0.00 0.00 72.50 72.29 3dwk s THR 202 CO 0.02 0.45 0.00 0.61 -0.54 0.00 0.00 174.62 175.16 3dwk n GLY 203 N 4.42 2.15 0.40 3.99 0.00 -0.93 -4.16 105.19 111.06 3dwk n GLY 203 Ca -0.18 -1.23 0.20 0.00 0.00 0.00 0.00 46.02 44.81 3dwk n GLY 203 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3dwk h ILE 204 N 0.00 0.65 -0.47 -0.61 6.09 -1.66 0.14 117.51 121.65 3dwk h ILE 204 Ca 0.00 -0.14 0.03 0.00 -1.37 0.00 0.00 64.86 63.38 3dwk h ILE 204 Cb 0.00 0.21 -0.04 0.00 0.47 0.00 0.00 36.82 37.47 3dwk h ILE 204 CO 0.00 0.07 0.26 0.50 -3.07 0.00 0.00 178.15 175.91 3dwk h LYS 205 N 0.40 0.50 0.00 2.19 1.63 -1.78 -1.48 116.57 118.03 3dwk h LYS 205 Ca 0.49 -0.03 -0.16 0.00 -0.85 0.00 0.00 60.65 60.10 3dwk h LYS 205 Cb 1.24 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.73 3dwk h LYS 205 CO -0.19 0.33 -0.87 0.00 -3.45 0.00 0.00 179.45 175.26 3dwk h ALA 206 N 1.23 0.56 0.00 5.00 0.00 -1.43 -3.13 119.26 121.48 3dwk h ALA 206 Ca 0.20 -0.74 -0.03 0.00 0.00 0.00 0.00 54.91 54.34 3dwk h ALA 206 Cb 0.06 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 3dwk h ALA 206 CO -0.11 0.96 -0.13 0.00 0.00 0.00 0.00 179.25 179.96 3dwk h ALA 207 N 1.27 1.11 0.01 0.00 0.00 -0.31 -0.88 119.26 120.46 3dwk h ALA 207 Ca -0.04 -0.12 -0.21 0.00 0.00 0.00 0.00 54.91 54.54 3dwk h ALA 207 Cb 1.59 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.34 3dwk h ALA 207 CO 0.09 0.16 -1.12 0.00 0.00 0.00 0.00 179.25 178.38 3dwk h ALA 208 N 1.87 0.23 -0.30 0.00 0.00 -1.35 -2.96 119.26 116.75 3dwk h ALA 208 Ca -0.00 -1.11 0.09 0.00 0.00 0.00 0.00 54.91 53.88 3dwk h ALA 208 Cb 0.50 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3dwk h ALA 208 CO 0.02 0.64 0.32 -0.22 0.00 0.00 0.00 179.25 180.00 3dwk h LYS 209 N -0.91 0.00 0.00 0.00 1.63 -1.47 0.06 116.57 115.87 3dwk h LYS 209 Ca -0.30 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.50 3dwk h LYS 209 Cb 1.32 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.95 3dwk h LYS 209 CO -0.15 0.00 -0.10 -0.92 -3.45 0.00 0.00 179.45 174.82 3dwk h TYR 210 N 0.00 0.00 0.00 1.91 5.03 -1.27 -2.30 116.97 120.35 3dwk h TYR 210 Ca 0.14 0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.38 3dwk h TYR 210 Cb 0.78 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.05 3dwk h TYR 210 CO 0.00 0.00 -0.33 1.88 -1.32 0.00 0.00 178.16 178.39 3dwk h TYR 211 N -0.62 0.00 0.00 -3.82 -1.99 -1.46 -3.35 116.97 105.73 3dwk h TYR 211 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3dwk h TYR 211 Cb 0.10 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.83 3dwk h TYR 211 CO -0.04 0.33 0.00 1.19 -0.00 0.00 0.00 178.16 179.64 3dwk n PHE 212 N -3.95 0.00 -1.72 4.88 0.99 -0.09 -1.34 117.46 116.23 3dwk n PHE 212 Ca -0.02 0.00 -0.20 0.00 -0.00 0.00 0.00 57.45 57.23 3dwk n PHE 212 Cb 0.39 0.00 -0.07 0.00 -1.00 0.00 0.00 39.48 38.80 3dwk n PHE 212 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 3dwk n ASN 213 N -0.22 -5.45 -4.89 4.37 5.15 -0.63 -4.75 115.26 108.84 3dwk n ASN 213 Ca 0.00 0.40 -0.26 0.00 -0.60 0.00 0.00 54.58 54.12 3dwk n ASN 213 Cb 0.07 -4.67 -0.04 0.00 -0.53 0.00 0.00 39.78 34.61 3dwk n ASN 213 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3dwk s LYS 214 N -3.92 3.22 0.65 1.20 1.02 -1.21 -4.87 119.74 115.83 3dwk s LYS 214 Ca 0.00 -0.72 -0.11 0.00 0.02 0.00 0.00 55.97 55.16 3dwk s LYS 214 Cb 0.00 -2.83 -0.02 0.00 -0.52 0.00 0.00 37.83 34.46 3dwk s LYS 214 CO 0.00 0.50 1.05 -0.51 -0.92 0.00 0.00 175.35 175.47 3dwk s ASP 215 N -3.22 5.92 0.26 2.83 1.01 -1.26 -3.05 116.67 119.16 3dwk s ASP 215 Ca 0.33 1.40 -0.02 0.00 0.71 0.00 0.00 52.55 54.97 3dwk s ASP 215 Cb -0.11 -2.38 0.32 0.00 1.01 0.00 0.00 42.92 41.77 3dwk s ASP 215 CO 0.26 -1.07 1.76 -0.07 0.21 0.00 0.00 175.17 176.27 3dwk h LEU 216 N -0.46 0.79 0.00 1.23 3.38 -1.92 -3.08 115.31 115.25 3dwk h LEU 216 Ca -0.44 -0.19 0.01 0.00 0.09 0.00 0.00 57.88 57.35 3dwk h LEU 216 Cb 1.21 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 3dwk h LEU 216 CO 0.61 0.84 -0.29 0.07 0.09 0.00 0.00 178.44 179.77 3dwk h LYS 217 N 0.77 -0.35 -2.14 1.13 2.10 -1.93 -3.23 116.57 112.93 3dwk h LYS 217 Ca 0.15 0.02 -0.63 0.00 -2.00 0.00 0.00 60.65 58.19 3dwk h LYS 217 Cb 0.43 0.08 -0.20 0.00 -0.90 0.00 0.00 32.23 31.65 3dwk h LYS 217 CO 0.02 -0.23 0.97 -0.40 -2.00 0.00 0.00 179.45 177.81 3dwk n ASP 218 N -4.07 7.08 -4.30 7.07 5.68 -1.17 -4.89 116.55 121.96 3dwk n ASP 218 Ca -0.04 -3.38 -0.27 0.00 -0.50 0.00 0.00 54.79 50.61 3dwk n ASP 218 Cb 0.21 -1.21 -0.14 0.00 -1.14 0.00 0.00 41.12 38.84 3dwk n ASP 218 CO 0.00 0.00 0.00 -1.48 -1.33 0.00 0.00 177.20 174.39 3dwk s LEU 219 N -2.79 2.22 0.00 -2.12 2.34 -1.22 -4.72 118.68 112.38 3dwk s LEU 219 Ca 0.55 -0.60 -0.17 0.00 0.06 0.00 0.00 54.13 53.97 3dwk s LEU 219 Cb 0.34 -1.05 0.23 0.00 -0.56 0.00 0.00 46.19 45.15 3dwk s LEU 219 CO -0.24 0.16 1.34 -0.46 -1.06 0.00 0.00 176.35 176.09 3dwk n ASN 220 N 1.54 0.12 0.04 1.48 0.23 -1.26 -4.82 115.26 112.58 3dwk n ASN 220 Ca -0.18 -1.49 -0.13 0.00 -0.53 0.00 0.00 54.58 52.25 3dwk n ASN 220 Cb 0.53 -1.02 -0.09 0.00 -2.08 0.00 0.00 39.78 37.12 3dwk n ASN 220 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 3dwk h LEU 221 N 0.00 -0.09 -1.18 -4.53 6.46 -1.99 -0.74 115.31 113.24 3dwk h LEU 221 Ca -0.43 -0.33 0.01 0.00 -0.12 0.00 0.00 57.88 57.00 3dwk h LEU 221 Cb 1.19 0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 41.11 3dwk h LEU 221 CO 0.31 0.30 0.53 0.00 -0.62 0.00 0.00 178.44 178.95 3dwk h ALA 222 N 0.39 1.40 -0.53 1.25 0.00 -1.95 0.65 119.26 120.47 3dwk h ALA 222 Ca -0.01 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3dwk h ALA 222 Cb 0.42 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3dwk h ALA 222 CO 0.02 0.55 0.09 0.93 0.00 0.00 0.00 179.25 180.84 3dwk h GLU 223 N 1.10 0.83 -0.14 0.00 5.08 -1.91 -1.63 114.58 117.91 3dwk h GLU 223 Ca 0.30 -0.19 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3dwk h GLU 223 Cb -0.11 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.02 3dwk h GLU 223 CO -0.06 0.78 -0.01 0.93 -1.00 0.00 0.00 179.01 179.65 3dwk h GLU 224 N 0.80 0.26 -0.67 2.33 5.08 0.00 -1.63 114.58 120.74 3dwk h GLU 224 Ca 0.17 -0.09 0.06 0.00 -1.00 0.00 0.00 59.36 58.51 3dwk h GLU 224 Cb 0.35 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.52 3dwk h GLU 224 CO 0.00 0.50 0.37 0.00 -1.00 0.00 0.00 179.01 178.89 3dwk h ALA 225 N 0.74 0.90 -0.09 3.43 0.00 -0.72 -0.11 119.26 123.42 3dwk h ALA 225 Ca 0.04 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3dwk h ALA 225 Cb 0.39 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 3dwk h ALA 225 CO 0.01 0.04 -0.03 -0.92 0.00 0.00 0.00 179.25 178.34 3dwk h TYR 226 N 0.67 0.20 0.00 0.00 5.03 -1.29 -1.84 116.97 119.75 3dwk h TYR 226 Ca 0.30 -0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.57 3dwk h TYR 226 Cb 0.21 -0.05 0.00 0.00 1.55 0.00 0.00 36.73 38.44 3dwk h TYR 226 CO -0.08 0.51 0.00 -0.07 -1.32 0.00 0.00 178.16 177.20 3dwk h LEU 227 N -0.17 0.00 0.16 2.82 3.38 -0.89 -0.29 115.31 120.32 3dwk h LEU 227 Ca 0.02 0.00 -0.32 0.00 0.09 0.00 0.00 57.88 57.67 3dwk h LEU 227 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3dwk h LEU 227 CO 0.01 0.00 -1.58 0.00 0.09 0.00 0.00 178.44 176.96 3dwk h ALA 228 N 2.00 0.17 0.00 1.53 0.00 -0.59 -3.36 119.26 119.01 3dwk h ALA 228 Ca 0.00 -1.08 -0.02 0.00 0.00 0.00 0.00 54.91 53.81 3dwk h ALA 228 Cb 0.00 0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3dwk h ALA 228 CO 0.00 1.04 -0.65 0.78 0.00 0.00 0.00 179.25 180.42 3dwk h GLY 229 N 1.18 0.00 0.20 0.00 0.00 -0.73 -3.39 103.07 100.33 3dwk h GLY 229 Ca -0.27 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.13 3dwk h GLY 229 CO 0.18 0.00 -0.16 -2.00 0.00 0.00 0.00 176.54 174.57 3dwk h LEU 230 N 0.00 -0.53 -2.08 3.11 5.85 -1.22 -3.06 115.31 117.38 3dwk h LEU 230 Ca -0.01 0.13 0.10 0.00 0.84 0.00 0.00 57.88 58.93 3dwk h LEU 230 Cb 1.07 0.29 -0.01 0.00 0.37 0.00 0.00 40.66 42.38 3dwk h LEU 230 CO 0.01 -0.19 0.32 -0.65 -0.34 0.00 0.00 178.44 177.59 3dwk h PRO 231 N -0.11 0.00 0.02 5.25 0.11 -1.79 -3.10 132.00 132.39 3dwk h PRO 231 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3dwk h PRO 231 Cb 0.36 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 3dwk h PRO 231 CO -0.39 0.00 -0.16 0.37 -0.21 0.00 0.00 178.00 177.61 3dwk h GLN 232 N 0.00 -0.21 -2.88 1.05 4.15 -1.83 -3.32 115.11 112.07 3dwk h GLN 232 Ca 0.16 0.01 -0.61 0.00 0.77 0.00 0.00 58.65 58.99 3dwk h GLN 232 Cb 0.81 0.05 -0.41 0.00 0.21 0.00 0.00 27.48 28.14 3dwk h GLN 232 CO -0.00 -0.14 -0.70 0.14 -1.93 0.00 0.00 178.83 176.20 3dwk s VAL 233 N -3.81 2.06 0.47 2.39 -7.23 -1.21 -5.01 120.40 108.08 3dwk s VAL 233 Ca -0.05 -3.69 0.28 0.00 -1.81 0.00 0.00 61.98 56.71 3dwk s VAL 233 Cb 0.02 -2.37 0.47 0.00 0.56 0.00 0.00 36.38 35.06 3dwk s VAL 233 CO 0.18 -1.06 1.80 -0.65 -0.31 0.00 0.00 175.10 175.05 3dwk h PRO 234 N 5.57 0.18 0.00 4.82 0.11 -1.65 -1.38 132.00 139.65 3dwk h PRO 234 Ca 0.17 -0.01 -0.18 0.00 0.11 0.00 0.00 66.00 66.08 3dwk h PRO 234 Cb 0.81 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.86 3dwk h PRO 234 CO 0.60 0.12 -0.85 -0.91 -0.21 0.00 0.00 178.00 176.76 3dwk h ASN 235 N 0.18 0.14 0.76 -2.05 4.21 -1.95 -2.69 115.58 114.18 3dwk h ASN 235 Ca 0.57 -0.11 0.00 0.00 1.21 0.00 0.00 56.30 57.97 3dwk h ASN 235 Cb 1.86 -0.04 0.00 0.00 -1.12 0.00 0.00 38.32 39.02 3dwk h ASN 235 CO -0.15 0.92 -0.70 0.59 -1.29 0.00 0.00 177.43 176.80 3dwk n ASN 236 N -3.62 0.67 -0.00 5.81 3.02 -0.55 -4.13 115.26 116.46 3dwk n ASN 236 Ca -0.02 0.04 0.06 0.00 -0.03 0.00 0.00 54.58 54.63 3dwk n ASN 236 Cb 0.79 0.29 -0.08 0.00 -0.61 0.00 0.00 39.78 40.17 3dwk n ASN 236 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 3dwk n TYR 237 N -2.05 0.00 -1.67 3.10 0.53 -1.04 -4.50 117.16 111.53 3dwk n TYR 237 Ca 0.03 0.00 -0.47 0.00 -1.02 0.00 0.00 57.90 56.44 3dwk n TYR 237 Cb 0.43 -0.05 -0.04 0.00 -1.03 0.00 0.00 39.34 38.65 3dwk n TYR 237 CO 0.00 0.00 0.00 -1.71 -1.02 0.00 0.00 176.86 174.13 3dwk n ASN 238 N -1.42 3.62 -0.07 7.72 2.85 -1.02 -4.18 115.26 122.77 3dwk n ASN 238 Ca 0.02 0.93 -0.10 0.00 -0.11 0.00 0.00 54.58 55.32 3dwk n ASN 238 Cb 0.23 -1.41 -0.03 0.00 1.24 0.00 0.00 39.78 39.81 3dwk n ASN 238 CO 0.00 0.00 0.00 0.16 -2.11 0.00 0.00 177.26 175.31 3dwk h ILE 239 N 5.59 1.09 -0.69 -1.44 3.07 -1.92 0.78 117.51 123.97 3dwk h ILE 239 Ca -0.48 -0.21 0.20 0.00 1.55 0.00 0.00 64.86 65.92 3dwk h ILE 239 Cb 1.26 0.77 -0.03 0.00 -0.27 0.00 0.00 36.82 38.56 3dwk h ILE 239 CO 0.95 0.09 0.90 1.88 -1.05 0.00 0.00 178.15 180.91 3dwk h TYR 240 N 0.32 0.00 0.00 0.16 0.99 -1.99 -2.67 116.97 113.79 3dwk h TYR 240 Ca 0.09 0.00 -0.14 0.00 2.00 0.00 0.00 58.73 60.68 3dwk h TYR 240 Cb 0.01 0.00 -0.02 0.00 1.00 0.00 0.00 36.73 37.71 3dwk h TYR 240 CO -0.05 0.00 -1.50 -0.25 -0.00 0.00 0.00 178.16 176.36 3dwk n ASP 241 N -3.32 2.18 -3.60 3.88 10.43 -0.77 -4.89 116.55 120.46 3dwk n ASP 241 Ca 0.15 0.02 -0.28 0.00 2.57 0.00 0.00 54.79 57.25 3dwk n ASP 241 Cb 1.13 -0.19 -0.11 0.00 1.84 0.00 0.00 41.12 43.78 3dwk n ASP 241 CO 0.00 0.00 0.00 -1.00 -1.07 0.00 0.00 177.20 175.13 3dwk s HIS 242 N -2.17 2.01 0.32 1.24 3.76 0.20 -4.96 115.29 115.68 3dwk s HIS 242 Ca -0.12 -2.67 0.01 0.00 -0.15 0.00 0.00 55.06 52.13 3dwk s HIS 242 Cb 0.04 -1.62 0.52 0.00 1.11 0.00 0.00 32.58 32.64 3dwk s HIS 242 CO 0.18 -0.73 1.93 -1.35 -0.85 0.00 0.00 174.74 173.92 3dwk h PRO 243 N 5.69 0.83 -0.33 8.40 0.11 -1.69 -0.54 132.00 144.47 3dwk h PRO 243 Ca 0.20 -0.10 -0.01 0.00 0.11 0.00 0.00 66.00 66.19 3dwk h PRO 243 Cb 0.86 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.79 3dwk h PRO 243 CO 0.50 0.64 0.17 0.87 -0.21 0.00 0.00 178.00 179.97 3dwk h LYS 244 N 0.83 0.48 -0.48 1.05 6.56 -1.93 -1.27 116.57 121.82 3dwk h LYS 244 Ca 0.21 -0.07 -0.05 0.00 -1.06 0.00 0.00 60.65 59.68 3dwk h LYS 244 Cb 0.08 -0.09 -0.02 0.00 -0.57 0.00 0.00 32.23 31.63 3dwk h LYS 244 CO -0.03 0.42 0.11 0.00 -2.06 0.00 0.00 179.45 177.89 3dwk h ALA 245 N 1.03 0.63 0.00 3.86 0.00 -1.80 -1.99 119.26 120.99 3dwk h ALA 245 Ca 0.12 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 3dwk h ALA 245 Cb 0.10 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3dwk h ALA 245 CO -0.02 0.32 -0.16 0.00 0.00 0.00 0.00 179.25 179.40 3dwk h ALA 246 N 0.98 1.47 0.14 0.00 0.00 -0.91 0.86 119.26 121.80 3dwk h ALA 246 Ca 0.15 -0.15 -0.30 0.00 0.00 0.00 0.00 54.91 54.61 3dwk h ALA 246 Cb 0.34 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3dwk h ALA 246 CO 0.00 0.20 -1.41 1.49 0.00 0.00 0.00 179.25 179.53 3dwk h GLU 247 N 0.00 0.30 -0.52 0.00 4.57 -1.03 -2.42 114.58 115.49 3dwk h GLU 247 Ca -0.00 -0.52 -0.07 0.00 -1.18 0.00 0.00 59.36 57.59 3dwk h GLU 247 Cb 0.34 0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 29.10 3dwk h GLU 247 CO 0.02 1.21 0.05 -0.44 -1.18 0.00 0.00 179.01 178.67 3dwk h ASP 248 N 0.08 0.85 -0.15 1.04 3.32 -0.72 -1.04 116.42 119.80 3dwk h ASP 248 Ca -0.20 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 56.56 3dwk h ASP 248 Cb 2.02 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 41.34 3dwk h ASP 248 CO 0.20 0.92 0.08 -0.09 -1.72 0.00 0.00 179.24 178.63 3dwk h ARG 249 N 0.76 0.22 -0.73 3.56 9.65 -0.94 -0.62 114.38 126.27 3dwk h ARG 249 Ca 0.15 -0.03 0.04 0.00 -1.10 0.00 0.00 59.98 59.05 3dwk h ARG 249 Cb 0.46 -0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 28.95 3dwk h ARG 249 CO 0.02 0.23 0.48 -0.22 2.80 0.00 0.00 179.97 183.28 3dwk h LYS 250 N 0.15 0.83 -0.07 0.20 3.11 -1.29 -1.46 116.57 118.04 3dwk h LYS 250 Ca 0.05 -0.05 -0.18 0.00 -2.81 0.00 0.00 60.65 57.67 3dwk h LYS 250 Cb 0.08 -0.19 -0.01 0.00 -1.00 0.00 0.00 32.23 31.11 3dwk h LYS 250 CO -0.01 0.55 -0.72 -0.91 -2.81 0.00 0.00 179.45 175.55 3dwk h ASN 251 N 0.85 0.44 0.14 4.20 4.21 -0.84 -2.37 115.58 122.21 3dwk h ASN 251 Ca 0.30 -0.29 -0.01 0.00 1.21 0.00 0.00 56.30 57.52 3dwk h ASN 251 Cb 0.12 -0.13 0.00 0.00 -1.12 0.00 0.00 38.32 37.19 3dwk h ASN 251 CO -0.09 1.02 -0.07 0.74 -1.29 0.00 0.00 177.43 177.74 3dwk h THR 252 N 0.25 0.89 -0.44 2.81 2.02 -0.36 0.34 112.91 118.41 3dwk h THR 252 Ca -0.03 -0.10 0.09 0.00 0.77 0.00 0.00 66.41 67.14 3dwk h THR 252 Cb 1.29 0.95 -0.08 0.00 -1.74 0.00 0.00 68.15 68.57 3dwk h THR 252 CO 0.12 0.02 -0.06 0.58 0.37 0.00 0.00 175.52 176.55 3dwk h VAL 253 N -0.23 0.60 -0.62 3.16 2.07 -1.32 0.16 116.25 120.07 3dwk h VAL 253 Ca -0.02 -0.02 0.08 0.00 0.82 0.00 0.00 66.70 67.56 3dwk h VAL 253 Cb 0.18 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 30.44 3dwk h VAL 253 CO 0.03 0.01 0.28 -0.07 0.02 0.00 0.00 177.57 177.84 3dwk h LEU 254 N 0.05 0.36 0.27 2.57 3.38 -1.10 0.19 115.31 121.02 3dwk h LEU 254 Ca 0.22 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 3dwk h LEU 254 Cb 0.33 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3dwk h LEU 254 CO -0.41 0.22 -0.24 0.22 0.09 0.00 0.00 178.44 178.32 3dwk h TYR 255 N 0.51 -0.63 -0.54 1.13 5.03 0.07 -1.46 116.97 121.08 3dwk h TYR 255 Ca 0.30 0.00 0.10 0.00 2.58 0.00 0.00 58.73 61.71 3dwk h TYR 255 Cb 0.30 0.24 -0.09 0.00 1.55 0.00 0.00 36.73 38.73 3dwk h TYR 255 CO -0.13 -0.36 0.03 -0.07 -1.32 0.00 0.00 178.16 176.32 3dwk h LEU 256 N -0.53 -0.16 -1.15 2.82 3.38 -0.12 0.25 115.31 119.80 3dwk h LEU 256 Ca -0.01 0.12 0.06 0.00 0.09 0.00 0.00 57.88 58.14 3dwk h LEU 256 Cb 0.48 0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.37 3dwk h LEU 256 CO -0.04 -0.06 0.59 0.24 0.09 0.00 0.00 178.44 179.27 3dwk h MET 257 N 0.15 1.00 -0.20 1.13 2.86 -0.35 0.78 114.93 120.30 3dwk h MET 257 Ca 0.28 -0.06 -0.21 0.00 -2.06 0.00 0.00 59.70 57.64 3dwk h MET 257 Cb 0.42 -0.23 0.01 0.00 0.06 0.00 0.00 31.60 31.86 3dwk h MET 257 CO -0.43 0.66 -0.70 1.25 1.06 0.00 0.00 176.91 178.76 3dwk h HIS 258 N 1.03 1.08 -0.08 -0.22 -0.00 -0.07 0.55 115.15 117.43 3dwk h HIS 258 Ca 0.39 -0.44 -0.09 0.00 -0.00 0.00 0.00 60.37 60.22 3dwk h HIS 258 Cb 0.19 -0.18 -0.01 0.00 -0.00 0.00 0.00 27.41 27.41 3dwk h HIS 258 CO -0.00 1.28 -0.38 -0.92 -0.00 0.00 0.00 177.93 177.91 3dwk h TYR 259 N 0.59 0.19 -0.35 5.26 3.20 0.43 0.13 116.97 126.41 3dwk h TYR 259 Ca -0.03 -0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.79 3dwk h TYR 259 Cb 1.32 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.55 3dwk h TYR 259 CO 0.08 0.53 0.00 0.72 -1.64 0.00 0.00 178.16 177.85 3dwk n HIS 260 N -4.06 1.06 -4.40 -3.82 8.25 0.17 -4.91 115.22 107.51 3dwk n HIS 260 Ca -0.01 -0.39 -0.40 0.00 -0.26 0.00 0.00 57.72 56.66 3dwk n HIS 260 Cb 0.44 -0.26 -0.06 0.00 1.12 0.00 0.00 29.99 31.23 3dwk n HIS 260 CO 0.00 0.00 0.00 0.36 0.64 0.00 0.00 176.34 177.34 3dwk n LYS 261 N 0.45 -1.76 0.01 -0.41 2.85 0.03 -4.80 118.16 114.53 3dwk n LYS 261 Ca 0.16 0.24 0.12 0.00 -1.05 0.00 0.00 58.31 57.77 3dwk n LYS 261 Cb 0.70 -4.89 0.25 0.00 -0.65 0.00 0.00 35.03 30.44 3dwk n LYS 261 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 3dwk n ARG 262 N -4.19 0.04 -3.95 -1.58 1.74 0.17 -4.85 116.66 104.04 3dwk n ARG 262 Ca 0.10 0.01 -0.10 0.00 -0.77 0.00 0.00 57.85 57.09 3dwk n ARG 262 Cb 0.47 -1.52 -0.11 0.00 -1.02 0.00 0.00 32.46 30.27 3dwk n ARG 262 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 3dwk s ILE 263 N -3.02 0.09 1.11 0.55 -4.36 -1.14 -5.00 121.20 109.43 3dwk s ILE 263 Ca 0.10 -0.76 -0.13 0.00 -0.26 0.00 0.00 60.65 59.61 3dwk s ILE 263 Cb 0.17 -0.26 0.25 0.00 1.25 0.00 0.00 42.46 43.88 3dwk s ILE 263 CO 0.70 -0.41 1.05 0.42 0.24 0.00 0.00 174.94 176.93 3dwk s THR 264 N -1.25 2.05 0.39 8.37 -4.23 -1.26 -4.61 115.64 115.10 3dwk s THR 264 Ca -0.14 0.02 0.10 0.00 -1.18 0.00 0.00 61.69 60.49 3dwk s THR 264 Cb -0.08 -2.19 0.15 0.00 1.34 0.00 0.00 72.50 71.72 3dwk s THR 264 CO -0.00 -0.02 1.91 0.44 -0.54 0.00 0.00 174.62 176.41 3dwk h ASP 265 N -2.40 0.19 0.28 3.99 5.19 -2.00 -2.90 116.42 118.76 3dwk h ASP 265 Ca -0.59 -0.04 -0.01 0.00 -0.62 0.00 0.00 57.03 55.77 3dwk h ASP 265 Cb 1.33 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.79 3dwk h ASP 265 CO 0.52 0.36 -0.13 0.50 -3.12 0.00 0.00 179.24 177.37 3dwk h LYS 266 N 0.19 -0.36 -0.08 3.56 3.64 -2.00 -3.11 116.57 118.41 3dwk h LYS 266 Ca 0.04 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.46 3dwk h LYS 266 Cb 0.40 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.30 3dwk h LYS 266 CO 0.02 -0.24 0.14 -0.56 -2.27 0.00 0.00 179.45 176.55 3dwk h GLN 267 N -1.10 0.00 0.74 1.90 3.07 -1.93 0.48 115.11 118.26 3dwk h GLN 267 Ca -0.04 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.67 3dwk h GLN 267 Cb 0.29 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.86 3dwk h GLN 267 CO 0.06 0.00 -0.35 2.35 0.09 0.00 0.00 178.83 180.98 3dwk h TRP 268 N 0.00 -0.92 -0.84 0.06 7.01 -1.59 -0.81 115.95 118.86 3dwk h TRP 268 Ca 0.04 -0.02 0.06 0.00 2.11 0.00 0.00 58.89 61.07 3dwk h TRP 268 Cb 0.33 0.30 -0.05 0.00 -2.10 0.00 0.00 29.16 27.64 3dwk h TRP 268 CO 0.00 -0.55 0.55 1.49 -2.79 0.00 0.00 178.44 177.14 3dwk h GLU 269 N -1.13 0.93 -0.38 2.65 4.81 -0.17 -1.51 114.58 119.78 3dwk h GLU 269 Ca -0.10 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.06 3dwk h GLU 269 Cb 0.78 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 3dwk h GLU 269 CO 0.17 0.61 0.17 -0.44 -0.73 0.00 0.00 179.01 178.79 3dwk h ASP 270 N 0.96 0.51 -0.33 1.04 3.32 -0.52 -3.23 116.42 118.17 3dwk h ASP 270 Ca 0.35 -0.14 -0.11 0.00 0.02 0.00 0.00 57.03 57.15 3dwk h ASP 270 Cb 0.18 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.58 3dwk h ASP 270 CO -0.12 0.51 -0.20 0.00 -1.72 0.00 0.00 179.24 177.70 3dwk h ALA 271 N 1.02 0.87 0.00 3.45 0.00 -0.19 -2.66 119.26 121.76 3dwk h ALA 271 Ca 0.13 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3dwk h ALA 271 Cb 0.14 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3dwk h ALA 271 CO -0.01 0.63 0.00 0.36 0.00 0.00 0.00 179.25 180.23 3dwk n LYS 272 N -4.12 0.86 -0.00 0.00 2.85 -0.69 -1.69 118.16 115.37 3dwk n LYS 272 Ca 0.00 0.00 0.03 0.00 -1.05 0.00 0.00 58.31 57.29 3dwk n LYS 272 Cb 0.43 -1.38 -0.04 0.00 -0.65 0.00 0.00 35.03 33.39 3dwk n LYS 272 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3dwk n LYS 273 N 0.14 1.85 -2.11 -1.58 4.76 -1.00 -5.03 118.16 115.19 3dwk n LYS 273 Ca 0.00 -0.03 -0.41 0.00 -2.87 0.00 0.00 58.31 55.00 3dwk n LYS 273 Cb 0.25 -1.00 -0.02 0.00 -1.84 0.00 0.00 35.03 32.41 3dwk n LYS 273 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3dwk s ILE 274 N -2.09 2.79 -0.30 -0.18 1.01 -0.68 -4.98 121.20 116.78 3dwk s ILE 274 Ca -0.01 0.73 -0.29 0.00 0.00 0.00 0.00 60.65 61.08 3dwk s ILE 274 Cb 0.04 -3.46 0.01 0.00 0.01 0.00 0.00 42.46 39.06 3dwk s ILE 274 CO 0.22 0.15 1.08 -0.62 0.00 0.00 0.00 174.94 175.77 3dwk s ASP 275 N -0.09 6.96 0.10 3.58 3.68 -1.26 -4.92 116.67 124.72 3dwk s ASP 275 Ca 0.53 1.14 -0.18 0.00 2.13 0.00 0.00 52.55 56.17 3dwk s ASP 275 Cb -0.40 -2.54 -0.07 0.00 -1.45 0.00 0.00 42.92 38.46 3dwk s ASP 275 CO 0.47 -0.84 1.57 0.25 0.13 0.00 0.00 175.17 176.75 3dwk h LEU 276 N 9.97 0.44 -2.46 -1.34 5.85 -1.96 -2.96 115.31 122.85 3dwk h LEU 276 Ca -0.20 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.25 3dwk h LEU 276 Cb 1.06 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.97 3dwk h LEU 276 CO 1.02 0.59 -0.02 0.11 -0.34 0.00 0.00 178.44 179.80 3dwk h LYS 277 N 0.27 0.00 -0.50 1.25 1.57 -1.99 -3.35 116.57 113.83 3dwk h LYS 277 Ca 0.08 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.91 3dwk h LYS 277 Cb 0.33 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.58 3dwk h LYS 277 CO 0.01 0.02 -0.30 0.00 -0.57 0.00 0.00 179.45 178.60 3dwk n ALA 278 N -2.13 -0.32 0.20 3.86 0.00 -1.12 -0.36 120.51 120.65 3dwk n ALA 278 Ca -0.02 0.43 0.07 0.00 0.00 0.00 0.00 53.44 53.92 3dwk n ALA 278 Cb 0.15 0.08 0.23 0.00 0.00 0.00 0.00 19.45 19.92 3dwk n ALA 278 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3dwk n ASN 279 N -4.17 3.14 -4.57 0.00 3.02 -1.26 -4.91 115.26 106.51 3dwk n ASN 279 Ca 0.01 -2.21 -0.40 0.00 -0.03 0.00 0.00 54.58 51.96 3dwk n ASN 279 Cb 0.13 -0.43 -0.03 0.00 -0.61 0.00 0.00 39.78 38.84 3dwk n ASN 279 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3dwk s LEU 280 N -1.28 3.40 -0.02 3.41 2.96 0.51 -4.46 118.68 123.20 3dwk s LEU 280 Ca 0.34 0.94 -0.40 0.00 -0.22 0.00 0.00 54.13 54.79 3dwk s LEU 280 Cb 0.21 -2.93 -0.20 0.00 0.50 0.00 0.00 46.19 43.77 3dwk s LEU 280 CO 0.18 -2.24 1.12 0.52 -1.32 0.00 0.00 176.35 174.62 3dwk n VAL 281 N 7.49 0.00 -2.83 1.68 0.31 -0.45 -4.84 118.33 119.70 3dwk n VAL 281 Ca 0.25 -0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 64.16 3dwk n VAL 281 Cb 0.50 -0.09 -0.04 0.00 -0.91 0.00 0.00 33.84 33.31 3dwk n VAL 281 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 3dwk s ASN 282 N 0.22 6.88 0.04 4.52 0.01 -1.26 -4.99 114.94 120.37 3dwk s ASN 282 Ca 0.91 1.08 -0.00 0.00 -0.71 0.00 0.00 52.86 54.14 3dwk s ASN 282 Cb -1.26 -2.46 -0.03 0.00 0.41 0.00 0.00 41.25 37.90 3dwk s ASN 282 CO 0.58 -0.58 -0.03 -0.13 -1.51 0.00 0.00 177.10 175.42 3dwk s ARG 283 N 2.98 0.52 0.36 -0.60 0.52 -1.26 -5.12 118.95 116.35 3dwk s ARG 283 Ca 0.37 -1.00 0.08 0.00 -0.52 0.00 0.00 55.73 54.66 3dwk s ARG 283 Cb -0.15 0.13 -0.03 0.00 0.52 0.00 0.00 34.95 35.42 3dwk s ARG 283 CO 0.08 -0.08 0.25 0.95 0.02 0.00 0.00 175.30 176.52 3dwk s THR 284 N -2.95 3.10 0.61 0.02 -4.23 -1.26 -5.00 115.64 105.93 3dwk s THR 284 Ca -0.01 -1.50 0.25 0.00 -1.18 0.00 0.00 61.69 59.25 3dwk s THR 284 Cb 0.01 -3.06 0.34 0.00 1.34 0.00 0.00 72.50 71.12 3dwk s THR 284 CO -0.06 -0.13 1.58 -0.65 -0.54 0.00 0.00 174.62 174.82 3dwk h PRO 285 N 1.32 0.00 0.26 3.99 0.11 -2.00 -2.20 132.00 133.49 3dwk h PRO 285 Ca -0.44 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 3dwk h PRO 285 Cb 1.26 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.37 3dwk h PRO 285 CO 0.61 0.00 -0.12 0.93 -0.21 0.00 0.00 178.00 179.20 3dwk h GLU 286 N 0.00 -0.34 0.00 1.05 5.08 -1.98 -3.25 114.58 115.15 3dwk h GLU 286 Ca 0.28 0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.61 3dwk h GLU 286 Cb 1.88 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 31.20 3dwk h GLU 286 CO -0.00 0.02 -0.21 0.93 -1.00 0.00 0.00 179.01 178.75 3dwk h GLU 287 N -0.86 0.00 -0.11 2.33 3.07 -1.80 -0.33 114.58 116.87 3dwk h GLU 287 Ca -0.04 0.00 0.03 0.00 -0.50 0.00 0.00 59.36 58.86 3dwk h GLU 287 Cb 0.51 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.42 3dwk h GLU 287 CO 0.06 0.21 0.14 0.00 -1.40 0.00 0.00 179.01 178.02 3dwk h ARG 288 N 0.00 0.00 0.00 2.33 3.08 -1.55 -3.20 114.38 115.03 3dwk h ARG 288 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3dwk h ARG 288 Cb 0.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.45 3dwk h ARG 288 CO 0.03 0.00 -0.35 1.04 -1.07 0.00 0.00 179.97 179.62 3dwk n GLN 289 N -3.72 0.19 -1.20 0.04 3.00 -0.80 -4.90 117.38 109.98 3dwk n GLN 289 Ca -0.00 0.07 0.00 0.00 -0.01 0.00 0.00 57.00 57.06 3dwk n GLN 289 Cb 0.25 -0.79 0.00 0.00 0.00 0.00 0.00 30.24 29.70 3dwk n GLN 289 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 3dwk n ASN 290 N -3.24 0.00 -1.57 1.08 2.85 -0.20 -4.92 115.26 109.26 3dwk n ASN 290 Ca -0.05 0.61 -0.12 0.00 -0.11 0.00 0.00 54.58 54.91 3dwk n ASN 290 Cb 0.18 -0.91 0.01 0.00 1.24 0.00 0.00 39.78 40.30 3dwk n ASN 290 CO 0.00 0.00 0.00 0.47 -2.11 0.00 0.00 177.26 175.62 3dwk n ASP 296 N 1.76 -3.90 0.18 1.20 8.00 -1.26 -4.79 116.55 117.74 3dwk n ASP 296 Ca 0.00 -0.10 0.14 0.00 0.71 0.00 0.00 54.79 55.54 3dwk n ASP 296 Cb 0.00 -2.92 0.45 0.00 -0.02 0.00 0.00 41.12 38.63 3dwk n ASP 296 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 3dwk h SER 297 N -0.47 0.00 0.10 -2.24 4.64 -2.02 -3.24 113.55 110.33 3dwk h SER 297 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 3dwk h SER 297 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3dwk h SER 297 CO 0.31 0.00 0.00 -1.84 -0.87 0.00 0.00 176.83 174.43 3dwk n GLU 298 N -2.64 0.02 -0.00 4.77 0.00 -1.26 -1.58 120.64 119.94 3dwk n GLU 298 Ca 0.03 0.37 0.08 0.00 0.00 0.00 0.00 57.16 57.64 3dwk n GLU 298 Cb 0.37 -1.50 -0.11 0.00 0.00 0.00 0.00 31.44 30.20 3dwk n GLU 298 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 3dwk n TYR 299 N -1.42 0.00 -0.35 -1.84 0.53 -1.22 -4.65 117.16 108.21 3dwk n TYR 299 Ca 0.01 0.00 0.01 0.00 -1.02 0.00 0.00 57.90 56.90 3dwk n TYR 299 Cb 0.04 -0.14 0.07 0.00 -1.03 0.00 0.00 39.34 38.28 3dwk n TYR 299 CO 0.00 0.00 0.00 -0.91 -1.02 0.00 0.00 176.86 174.93 3dwk h ASN 300 N 0.00 -1.23 -0.57 7.72 4.21 -1.53 0.29 115.58 124.48 3dwk h ASN 300 Ca 0.00 0.30 -0.07 0.00 1.21 0.00 0.00 56.30 57.74 3dwk h ASN 300 Cb 0.54 0.69 -0.03 0.00 -1.12 0.00 0.00 38.32 38.40 3dwk h ASN 300 CO 0.00 -0.30 0.10 0.28 -1.29 0.00 0.00 177.43 176.22 3dwk h SER 301 N -0.02 0.92 -0.25 5.81 0.02 -1.82 0.54 113.55 118.77 3dwk h SER 301 Ca 0.37 -0.20 -0.07 0.00 -0.84 0.00 0.00 61.79 61.05 3dwk h SER 301 Cb 0.63 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 3dwk h SER 301 CO -0.96 0.92 -0.14 0.22 -1.14 0.00 0.00 176.83 175.73 3dwk h TYR 302 N 0.92 0.61 0.33 3.45 5.03 -0.89 -1.08 116.97 125.34 3dwk h TYR 302 Ca 0.19 -0.16 -0.00 0.00 2.58 0.00 0.00 58.73 61.34 3dwk h TYR 302 Cb 0.40 -0.14 -0.02 0.00 1.55 0.00 0.00 36.73 38.52 3dwk h TYR 302 CO 0.03 0.80 -0.30 0.28 -1.32 0.00 0.00 178.16 177.64 3dwk h VAL 303 N 0.25 0.36 -1.00 1.81 2.07 -0.37 0.95 116.25 120.31 3dwk h VAL 303 Ca 0.05 0.00 0.27 0.00 0.82 0.00 0.00 66.70 67.85 3dwk h VAL 303 Cb 0.65 0.36 -0.13 0.00 -1.52 0.00 0.00 31.29 30.65 3dwk h VAL 303 CO 0.04 0.00 0.59 -1.13 0.02 0.00 0.00 177.57 177.09 3dwk h ASN 304 N -0.65 0.62 -0.03 0.57 -0.73 -0.79 0.82 115.58 115.39 3dwk h ASN 304 Ca -0.02 0.16 -0.02 0.00 1.87 0.00 0.00 56.30 58.29 3dwk h ASN 304 Cb 0.59 0.07 -0.00 0.00 0.27 0.00 0.00 38.32 39.25 3dwk h ASN 304 CO -0.04 0.01 -0.04 0.15 -0.37 0.00 0.00 177.43 177.14 3dwk h PHE 305 N 0.48 0.10 -0.57 0.67 3.04 -0.55 -3.06 116.94 117.05 3dwk h PHE 305 Ca 0.68 -0.03 0.05 0.00 3.98 0.00 0.00 57.97 62.64 3dwk h PHE 305 Cb 1.40 -0.02 -0.05 0.00 2.56 0.00 0.00 35.95 39.84 3dwk h PHE 305 CO -0.01 0.59 0.31 0.28 -2.02 0.00 0.00 178.31 177.46 3dwk h VAL 306 N -0.41 0.98 -0.92 1.41 2.07 0.44 -1.69 116.25 118.12 3dwk h VAL 306 Ca 0.00 -0.20 0.15 0.00 0.82 0.00 0.00 66.70 67.48 3dwk h VAL 306 Cb 0.58 0.33 -0.08 0.00 -1.52 0.00 0.00 31.29 30.60 3dwk h VAL 306 CO 0.01 0.11 0.59 0.11 0.02 0.00 0.00 177.57 178.41 3dwk h LYS 307 N 0.59 0.68 -0.10 1.57 1.57 -0.94 0.11 116.57 120.06 3dwk h LYS 307 Ca 0.25 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.89 3dwk h LYS 307 Cb 0.13 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.29 3dwk h LYS 307 CO -0.16 0.45 -0.34 1.03 -0.57 0.00 0.00 179.45 179.87 3dwk h SER 308 N 0.70 0.46 1.00 0.86 0.87 -1.22 -3.25 113.55 112.97 3dwk h SER 308 Ca 0.47 -0.62 -0.05 0.00 -1.23 0.00 0.00 61.79 60.37 3dwk h SER 308 Cb 0.78 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 3dwk h SER 308 CO -0.23 1.00 -0.23 -0.08 -0.53 0.00 0.00 176.83 176.76 3dwk h GLU 309 N -0.05 0.00 -0.81 2.24 4.81 -0.80 -3.27 114.58 116.70 3dwk h GLU 309 Ca -0.02 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 3dwk h GLU 309 Cb 0.97 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.31 3dwk h GLU 309 CO 0.07 0.23 0.40 1.25 -0.73 0.00 0.00 179.01 180.23 3dwk h LEU 310 N 0.00 1.05 -0.76 1.64 5.85 -0.83 -2.37 115.31 119.89 3dwk h LEU 310 Ca -0.00 -0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.60 3dwk h LEU 310 Cb 0.80 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 41.56 3dwk h LEU 310 CO 0.03 0.87 0.00 0.23 -0.34 0.00 0.00 178.44 179.23 3dwk n MET 311 N -4.32 1.51 0.05 1.25 2.81 -1.23 -3.71 117.12 113.48 3dwk n MET 311 Ca 0.08 -0.76 0.13 0.00 -1.81 0.00 0.00 57.70 55.34 3dwk n MET 311 Cb 0.13 -1.44 0.41 0.00 -0.71 0.00 0.00 33.22 31.61 3dwk n MET 311 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3dwk n ASN 312 N -0.06 0.50 -4.79 7.83 3.02 -0.89 -3.55 115.26 117.31 3dwk n ASN 312 Ca 0.19 0.38 -0.35 0.00 -0.03 0.00 0.00 54.58 54.76 3dwk n ASN 312 Cb 0.28 -0.41 -0.04 0.00 -0.61 0.00 0.00 39.78 39.00 3dwk n ASN 312 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3dwk s ASN 313 N -3.81 6.60 0.17 6.41 3.84 -1.24 -4.89 114.94 122.01 3dwk s ASN 313 Ca 0.11 1.94 -0.16 0.00 0.21 0.00 0.00 52.86 54.95 3dwk s ASN 313 Cb 0.15 -2.57 0.10 0.00 -0.55 0.00 0.00 41.25 38.39 3dwk s ASN 313 CO 0.61 -0.60 1.68 0.11 -2.79 0.00 0.00 177.10 176.11 3dwk h LYS 314 N 2.00 0.05 0.00 0.43 6.56 -1.94 -1.52 116.57 122.16 3dwk h LYS 314 Ca -0.49 -0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.10 3dwk h LYS 314 Cb 1.21 -0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.86 3dwk h LYS 314 CO 0.61 0.04 0.01 0.00 -2.06 0.00 0.00 179.45 178.05 3dwk n ALA 315 N -2.61 1.12 -0.25 3.86 0.00 -1.26 -2.43 120.51 118.94 3dwk n ALA 315 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.46 3dwk n ALA 315 Cb 0.21 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.71 3dwk n ALA 315 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3dwk n PHE 316 N -1.30 0.00 -0.30 0.00 3.01 -1.00 -4.93 117.46 112.93 3dwk n PHE 316 Ca 0.00 0.00 0.28 0.00 1.01 0.00 0.00 57.45 58.74 3dwk n PHE 316 Cb 0.01 0.00 0.64 0.00 -0.01 0.00 0.00 39.48 40.12 3dwk n PHE 316 CO 0.00 0.00 0.00 -0.22 1.01 0.00 0.00 176.76 177.55 3dwk h LYS 317 N 0.00 0.18 -0.02 -1.08 3.64 -0.94 -1.68 116.57 116.66 3dwk h LYS 317 Ca 0.00 -0.01 -0.21 0.00 -1.27 0.00 0.00 60.65 59.16 3dwk h LYS 317 Cb 0.13 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3dwk h LYS 317 CO 0.00 0.12 -0.88 0.38 -2.27 0.00 0.00 179.45 176.79 3dwk h ASP 318 N 0.18 0.52 -0.58 4.20 2.03 -1.86 -3.48 116.42 117.44 3dwk h ASP 318 Ca 0.56 -0.40 0.00 0.00 -0.73 0.00 0.00 57.03 56.46 3dwk h ASP 318 Cb 1.83 -0.16 0.00 0.00 -0.83 0.00 0.00 39.33 40.17 3dwk h ASP 318 CO -0.14 1.18 0.00 -0.62 -1.03 0.00 0.00 179.24 178.63 3dwk n GLU 319 N -3.77 0.05 -4.48 4.15 -0.58 -0.64 -5.08 120.64 110.29 3dwk n GLU 319 Ca -0.06 0.00 -0.25 0.00 -0.42 0.00 0.00 57.16 56.43 3dwk n GLU 319 Cb 0.80 0.00 -0.10 0.00 -0.57 0.00 0.00 31.44 31.57 3dwk n GLU 319 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 3dwk s ASN 320 N -1.62 3.80 0.00 1.62 0.02 -1.26 -5.07 114.94 112.43 3dwk s ASN 320 Ca 0.00 -1.08 -0.02 0.00 -1.02 0.00 0.00 52.86 50.74 3dwk s ASN 320 Cb 0.00 -0.39 -0.01 0.00 0.02 0.00 0.00 41.25 40.87 3dwk s ASN 320 CO 0.00 -0.12 0.71 0.25 0.02 0.00 0.00 177.10 177.96 3dwk h LEU 321 N 2.06 -0.05 0.00 0.60 5.85 -1.99 -2.13 115.31 119.65 3dwk h LEU 321 Ca -0.42 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.31 3dwk h LEU 321 Cb 1.25 0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.30 3dwk h LEU 321 CO 0.66 -0.03 0.00 0.61 -0.34 0.00 0.00 178.44 179.34 3dwk n GLY 322 N -0.10 -0.00 0.00 3.75 0.00 -1.26 -1.54 105.19 106.04 3dwk n GLY 322 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3dwk n GLY 322 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3dwk n ASN 323 N -0.66 4.75 -0.01 1.61 5.03 -1.20 -4.57 115.26 120.22 3dwk n ASN 323 Ca 0.00 -0.02 0.10 0.00 0.87 0.00 0.00 54.58 55.53 3dwk n ASN 323 Cb 0.00 1.00 -0.15 0.00 -1.02 0.00 0.00 39.78 39.61 3dwk n ASN 323 CO 0.00 0.00 0.00 0.55 -1.83 0.00 0.00 177.26 175.98 3dwk n VAL 324 N -1.47 0.00 0.80 2.41 3.14 -0.59 -4.32 118.33 118.30 3dwk n VAL 324 Ca 0.00 -0.39 0.12 0.00 -2.96 0.00 0.00 64.34 61.10 3dwk n VAL 324 Cb 0.00 0.19 0.12 0.00 -1.06 0.00 0.00 33.84 33.10 3dwk n VAL 324 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 3dwk n LEU 325 N -2.08 0.62 -0.77 6.55 4.77 -1.08 -3.91 117.00 121.09 3dwk n LEU 325 Ca -0.03 -0.03 0.10 0.00 -0.03 0.00 0.00 56.01 56.03 3dwk n LEU 325 Cb 0.49 -0.16 0.07 0.00 -2.33 0.00 0.00 43.42 41.49 3dwk n LEU 325 CO 0.42 0.09 0.53 0.00 -1.33 0.00 0.00 177.39 177.09 3dwk n GLN 326 N -1.74 1.83 -0.81 3.23 6.02 -1.26 -2.20 117.38 122.46 3dwk n GLN 326 Ca 0.04 -1.60 -0.16 0.00 -0.01 0.00 0.00 57.00 55.27 3dwk n GLN 326 Cb 0.38 -1.40 0.11 0.00 1.02 0.00 0.00 30.24 30.35 3dwk n GLN 326 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3dwk n SER 327 N 0.95 3.79 -4.10 1.08 3.41 -1.24 -1.09 113.62 116.42 3dwk n SER 327 Ca 0.12 -3.06 -0.29 0.00 -0.26 0.00 0.00 58.87 55.38 3dwk n SER 327 Cb 0.51 -0.75 -0.04 0.00 -0.26 0.00 0.00 64.21 63.67 3dwk n SER 327 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dwk n GLY 328 N -0.51 -0.23 3.93 5.00 0.00 0.13 -4.39 105.19 109.11 3dwk n GLY 328 Ca 0.39 0.15 -0.25 0.00 0.00 0.00 0.00 46.02 46.30 3dwk n GLY 328 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dwk s ILE 329 N -3.95 4.60 -0.18 -0.61 -4.36 -1.26 -3.83 121.20 111.61 3dwk s ILE 329 Ca 0.14 -0.15 -0.01 0.00 -0.26 0.00 0.00 60.65 60.37 3dwk s ILE 329 Cb -0.08 -3.73 0.00 0.00 1.25 0.00 0.00 42.46 39.91 3dwk s ILE 329 CO 0.93 -0.61 -0.13 -0.54 0.24 0.00 0.00 174.94 174.82 3dwk s LYS 330 N -4.63 3.21 -0.21 0.37 1.02 -0.07 -2.63 119.74 116.80 3dwk s LYS 330 Ca 0.46 -0.73 -0.06 0.00 0.02 0.00 0.00 55.97 55.66 3dwk s LYS 330 Cb -0.10 -2.73 -0.03 0.00 -0.52 0.00 0.00 37.83 34.45 3dwk s LYS 330 CO 0.41 -0.11 0.04 0.42 -0.92 0.00 0.00 175.35 175.19 3dwk s ILE 331 N 1.14 4.30 -0.20 2.17 1.01 0.17 -0.44 121.20 129.35 3dwk s ILE 331 Ca 0.01 -0.19 -0.05 0.00 0.00 0.00 0.00 60.65 60.42 3dwk s ILE 331 Cb -0.14 -2.97 -0.02 0.00 0.01 0.00 0.00 42.46 39.34 3dwk s ILE 331 CO -0.05 0.41 -0.02 -0.31 0.00 0.00 0.00 174.94 174.97 3dwk s TYR 332 N 1.03 3.00 0.46 3.97 1.51 -0.57 -0.52 117.35 126.23 3dwk s TYR 332 Ca 0.03 -0.60 0.05 0.00 -1.01 0.00 0.00 57.07 55.54 3dwk s TYR 332 Cb -0.14 -2.08 -0.04 0.00 -0.11 0.00 0.00 41.96 39.59 3dwk s TYR 332 CO 0.02 -0.33 0.08 0.95 -1.11 0.00 0.00 175.55 175.17 3dwk s THR 333 N 1.13 1.73 -2.19 -0.71 -4.23 -0.16 0.60 115.64 111.80 3dwk s THR 333 Ca 0.02 -1.89 0.18 0.00 -1.18 0.00 0.00 61.69 58.82 3dwk s THR 333 Cb -0.14 -2.61 0.41 0.00 1.34 0.00 0.00 72.50 71.50 3dwk s THR 333 CO 0.01 0.00 1.44 0.59 -0.54 0.00 0.00 174.62 176.12 3dwk n ASN 334 N -1.21 1.98 -4.70 3.99 5.03 -0.37 -3.20 115.26 116.78 3dwk n ASN 334 Ca -0.09 -1.84 -0.44 0.00 0.87 0.00 0.00 54.58 53.08 3dwk n ASN 334 Cb 0.66 -0.18 -0.03 0.00 -1.02 0.00 0.00 39.78 39.22 3dwk n ASN 334 CO 0.00 0.00 0.00 0.80 -1.83 0.00 0.00 177.26 176.23 3dwk n MET 335 N 0.54 2.38 -3.18 3.52 1.56 -1.22 -4.39 117.12 116.32 3dwk n MET 335 Ca 0.15 0.85 -0.42 0.00 -0.27 0.00 0.00 57.70 58.01 3dwk n MET 335 Cb 0.35 -2.60 -0.07 0.00 2.15 0.00 0.00 33.22 33.05 3dwk n MET 335 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 3dwk s ASP 336 N 0.61 6.33 0.27 6.12 -1.08 -0.29 -1.10 116.67 127.54 3dwk s ASP 336 Ca 0.70 -0.13 0.00 0.00 -0.52 0.00 0.00 52.55 52.60 3dwk s ASP 336 Cb -0.59 -2.29 0.58 0.00 -1.46 0.00 0.00 42.92 39.16 3dwk s ASP 336 CO 0.44 -0.60 1.74 0.50 0.52 0.00 0.00 175.17 177.77 3dwk h LYS 337 N 8.61 0.55 0.15 4.34 3.64 -1.92 -0.41 116.57 131.52 3dwk h LYS 337 Ca -0.27 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.07 3dwk h LYS 337 Cb 1.11 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 3dwk h LYS 337 CO 0.83 0.36 -0.07 -0.44 -2.27 0.00 0.00 179.45 177.85 3dwk h ASP 338 N 0.56 -0.17 -0.74 4.20 3.45 -1.96 -2.82 116.42 118.94 3dwk h ASP 338 Ca 0.49 -0.36 0.13 0.00 0.43 0.00 0.00 57.03 57.72 3dwk h ASP 338 Cb 0.76 0.04 -0.09 0.00 -0.56 0.00 0.00 39.33 39.49 3dwk h ASP 338 CO -0.41 0.40 0.32 0.58 -1.57 0.00 0.00 179.24 178.57 3dwk h VAL 339 N -0.89 0.72 -0.84 -1.35 2.07 -1.87 -1.19 116.25 112.90 3dwk h VAL 339 Ca -0.02 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 67.37 3dwk h VAL 339 Cb 0.52 0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 30.41 3dwk h VAL 339 CO 0.03 0.09 0.53 -0.61 0.02 0.00 0.00 177.57 177.64 3dwk h GLN 340 N 0.50 1.00 -0.29 1.57 5.75 -1.11 0.79 115.11 123.31 3dwk h GLN 340 Ca 0.39 -0.06 -0.04 0.00 -0.15 0.00 0.00 58.65 58.80 3dwk h GLN 340 Cb 0.54 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 28.86 3dwk h GLN 340 CO -0.36 0.66 0.04 0.87 -2.65 0.00 0.00 178.83 177.40 3dwk h LYS 341 N 1.03 0.49 0.03 1.69 1.57 -1.09 -2.48 116.57 117.81 3dwk h LYS 341 Ca 0.34 -0.13 0.02 0.00 -1.87 0.00 0.00 60.65 59.01 3dwk h LYS 341 Cb 0.04 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.26 3dwk h LYS 341 CO -0.13 0.60 -0.16 1.15 -0.57 0.00 0.00 179.45 180.34 3dwk h THR 342 N 0.31 0.62 -1.00 -0.16 2.02 -0.72 0.52 112.91 114.50 3dwk h THR 342 Ca 0.09 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.29 3dwk h THR 342 Cb 0.35 0.62 -0.05 0.00 -1.74 0.00 0.00 68.15 67.32 3dwk h THR 342 CO 0.01 0.00 0.66 0.25 0.37 0.00 0.00 175.52 176.80 3dwk h LEU 343 N -0.28 1.12 0.10 2.58 5.85 -0.82 -0.86 115.31 123.01 3dwk h LEU 343 Ca 0.04 -0.02 -0.28 0.00 0.84 0.00 0.00 57.88 58.46 3dwk h LEU 343 Cb 0.33 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3dwk h LEU 343 CO -0.13 0.79 -1.33 -0.61 -0.34 0.00 0.00 178.44 176.82 3dwk h GLN 344 N 1.31 0.22 0.39 1.25 5.75 -1.17 -2.26 115.11 120.60 3dwk h GLN 344 Ca 0.38 -0.38 -0.02 0.00 -0.15 0.00 0.00 58.65 58.48 3dwk h GLN 344 Cb -0.09 0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.60 3dwk h GLN 344 CO -0.10 1.13 -0.19 -0.91 -2.65 0.00 0.00 178.83 176.12 3dwk h ASN 345 N 0.06 -0.44 -0.46 -0.69 2.35 -0.74 -1.32 115.58 114.34 3dwk h ASN 345 Ca -0.16 -0.04 0.03 0.00 -0.55 0.00 0.00 56.30 55.58 3dwk h ASN 345 Cb 1.97 0.11 -0.02 0.00 0.05 0.00 0.00 38.32 40.42 3dwk h ASN 345 CO 0.18 -0.24 0.31 -0.78 -1.65 0.00 0.00 177.43 175.24 3dwk h ASP 346 N -0.61 0.45 -0.28 5.81 1.82 -1.23 0.26 116.42 122.64 3dwk h ASP 346 Ca -0.05 -0.01 -0.14 0.00 -0.39 0.00 0.00 57.03 56.44 3dwk h ASP 346 Cb 0.45 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.35 3dwk h ASP 346 CO 0.09 0.31 -0.32 0.58 -1.61 0.00 0.00 179.24 178.29 3dwk h VAL 347 N 0.52 1.28 0.19 2.25 2.07 -1.29 -1.26 116.25 120.01 3dwk h VAL 347 Ca 0.18 -1.47 -0.32 0.00 0.82 0.00 0.00 66.70 65.91 3dwk h VAL 347 Cb 0.09 1.34 0.03 0.00 -1.52 0.00 0.00 31.29 31.23 3dwk h VAL 347 CO -0.05 0.49 -1.37 0.44 0.02 0.00 0.00 177.57 177.10 3dwk h ASP 348 N 0.68 0.86 -0.36 0.57 3.45 0.09 -3.35 116.42 118.35 3dwk h ASP 348 Ca 0.07 -0.86 0.00 0.00 0.43 0.00 0.00 57.03 56.67 3dwk h ASP 348 Cb 0.86 -0.27 0.00 0.00 -0.56 0.00 0.00 39.33 39.36 3dwk h ASP 348 CO 0.08 1.66 0.00 0.59 -1.57 0.00 0.00 179.24 180.00 3dwk n ASN 349 N -3.75 3.26 -4.72 6.45 3.02 0.77 -4.97 115.26 115.33 3dwk n ASN 349 Ca -0.15 -1.93 -0.32 0.00 -0.03 0.00 0.00 54.58 52.14 3dwk n ASN 349 Cb 1.05 -0.23 0.12 0.00 -0.61 0.00 0.00 39.78 40.11 3dwk n ASN 349 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3dwk s GLY 350 N -1.32 1.97 -0.03 7.41 0.00 -0.48 -4.94 107.32 109.93 3dwk s GLY 350 Ca 0.34 0.65 0.14 0.00 0.00 0.00 0.00 44.72 45.85 3dwk s GLY 350 CO 0.28 1.04 1.35 -1.14 0.00 0.00 0.00 173.10 174.63 3dwk n SER 351 N -3.40 3.36 -1.74 1.64 3.41 -1.26 -4.65 113.62 110.97 3dwk n SER 351 Ca 0.12 -2.15 -0.14 0.00 -0.26 0.00 0.00 58.87 56.44 3dwk n SER 351 Cb 0.51 -0.34 0.11 0.00 -0.26 0.00 0.00 64.21 64.24 3dwk n SER 351 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 3dwk n PHE 352 N 0.64 1.85 -3.99 7.33 -1.74 -1.26 -4.81 117.46 115.48 3dwk n PHE 352 Ca 0.16 -1.31 -0.34 0.00 -0.56 0.00 0.00 57.45 55.40 3dwk n PHE 352 Cb 0.55 -0.67 -0.15 0.00 1.52 0.00 0.00 39.48 40.73 3dwk n PHE 352 CO 0.00 0.00 0.00 0.71 -0.56 0.00 0.00 176.76 176.91 3dwk s TYR 353 N -1.98 2.93 0.28 2.97 2.02 -1.26 -4.88 117.35 117.42 3dwk s TYR 353 Ca 0.34 -1.33 -0.03 0.00 -0.37 0.00 0.00 57.07 55.68 3dwk s TYR 353 Cb 0.29 -2.03 0.36 0.00 -0.40 0.00 0.00 41.96 40.18 3dwk s TYR 353 CO 0.07 -0.68 1.92 -0.22 -1.57 0.00 0.00 175.55 175.06 3dwk h LYS 354 N 8.03 1.12 0.00 -0.62 3.64 -1.97 -3.47 116.57 123.29 3dwk h LYS 354 Ca -0.41 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 3dwk h LYS 354 Cb 1.14 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 3dwk h LYS 354 CO 0.61 0.79 0.00 0.27 -2.27 0.00 0.00 179.45 178.85 3dwk n ASN 355 N -4.37 0.00 -0.25 4.20 0.23 -1.26 -5.05 115.26 108.77 3dwk n ASN 355 Ca 0.09 -0.19 0.13 0.00 -0.53 0.00 0.00 54.58 54.08 3dwk n ASN 355 Cb 0.07 0.00 0.46 0.00 -2.08 0.00 0.00 39.78 38.23 3dwk n ASN 355 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 3dwk n LYS 356 N 0.00 0.92 0.00 -3.83 2.85 -1.26 -3.69 118.16 113.15 3dwk n LYS 356 Ca 0.00 -0.50 0.12 0.00 -1.05 0.00 0.00 58.31 56.88 3dwk n LYS 356 Cb 0.00 -1.49 0.16 0.00 -0.65 0.00 0.00 35.03 33.05 3dwk n LYS 356 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 3dwk n ASP 357 N -0.60 2.42 -4.76 -5.58 8.00 -1.26 -4.94 116.55 109.83 3dwk n ASP 357 Ca 0.14 -1.74 -0.39 0.00 0.71 0.00 0.00 54.79 53.51 3dwk n ASP 357 Cb 0.33 0.12 -0.06 0.00 -0.02 0.00 0.00 41.12 41.49 3dwk n ASP 357 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 3dwk s GLN 358 N -2.14 4.73 0.16 -1.24 0.74 -1.24 -1.27 119.66 119.39 3dwk s GLN 358 Ca 0.27 1.40 0.07 0.00 0.05 0.00 0.00 55.36 57.15 3dwk s GLN 358 Cb 0.20 -3.08 -0.04 0.00 1.10 0.00 0.00 33.01 31.19 3dwk s GLN 358 CO 0.38 0.42 -0.14 -0.65 -0.55 0.00 0.00 175.29 174.76 3dwk s GLN 359 N -1.55 1.17 0.24 1.67 -0.21 0.19 -4.94 119.66 116.23 3dwk s GLN 359 Ca 0.45 -1.42 0.06 0.00 0.02 0.00 0.00 55.36 54.47 3dwk s GLN 359 Cb -0.23 -0.98 -0.05 0.00 1.00 0.00 0.00 33.01 32.76 3dwk s GLN 359 CO 0.28 0.17 -0.08 0.14 -2.12 0.00 0.00 175.29 173.68 3dwk s VAL 360 N -2.66 1.55 -0.13 1.09 -7.23 -1.26 -2.41 120.40 109.36 3dwk s VAL 360 Ca 0.16 -2.14 -0.06 0.00 -1.81 0.00 0.00 61.98 58.13 3dwk s VAL 360 Cb -0.02 -2.25 0.06 0.00 0.56 0.00 0.00 36.38 34.72 3dwk s VAL 360 CO 0.04 -0.43 0.29 -0.83 -0.31 0.00 0.00 175.10 173.86 3dwk s GLY 361 N -3.36 -0.18 -0.04 2.32 0.00 -0.46 -3.59 107.32 102.01 3dwk s GLY 361 Ca 0.26 1.12 0.02 0.00 0.00 0.00 0.00 44.72 46.12 3dwk s GLY 361 CO 0.09 1.65 -0.08 0.00 0.00 0.00 0.00 173.10 174.76 3dwk s ALA 362 N 1.76 0.83 -0.01 3.20 0.00 -0.41 -1.01 121.76 126.11 3dwk s ALA 362 Ca -0.05 -0.24 0.05 0.00 0.00 0.00 0.00 51.96 51.71 3dwk s ALA 362 Cb -0.11 -0.37 -0.01 0.00 0.00 0.00 0.00 23.12 22.63 3dwk s ALA 362 CO -0.10 0.09 -0.16 0.99 0.00 0.00 0.00 175.76 176.58 3dwk s THR 363 N 0.46 1.28 -0.21 0.00 2.01 -0.46 -0.93 115.64 117.80 3dwk s THR 363 Ca -0.07 -0.69 -0.01 0.00 0.31 0.00 0.00 61.69 61.22 3dwk s THR 363 Cb -0.11 -1.07 0.06 0.00 0.01 0.00 0.00 72.50 71.39 3dwk s THR 363 CO 0.01 0.36 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.65 3dwk s ILE 364 N -0.38 1.06 0.26 1.82 1.01 0.10 -1.12 121.20 123.95 3dwk s ILE 364 Ca 0.06 -0.86 0.07 0.00 0.00 0.00 0.00 60.65 59.92 3dwk s ILE 364 Cb -0.06 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 40.96 3dwk s ILE 364 CO -0.01 -0.11 0.24 -0.76 0.00 0.00 0.00 174.94 174.30 3dwk s LEU 365 N 1.62 3.89 -0.35 2.97 1.43 -0.03 -0.00 118.68 128.20 3dwk s LEU 365 Ca -0.03 -0.22 -0.29 0.00 -1.03 0.00 0.00 54.13 52.57 3dwk s LEU 365 Cb -0.18 -2.43 0.01 0.00 0.03 0.00 0.00 46.19 43.62 3dwk s LEU 365 CO -0.07 -0.08 1.27 -0.62 0.23 0.00 0.00 176.35 177.08 3dwk s ASP 366 N -3.89 6.63 0.20 2.29 -1.08 0.00 -2.11 116.67 118.72 3dwk s ASP 366 Ca 0.34 0.99 -0.13 0.00 -0.52 0.00 0.00 52.55 53.24 3dwk s ASP 366 Cb -0.08 -2.54 0.24 0.00 -1.46 0.00 0.00 42.92 39.08 3dwk s ASP 366 CO 0.26 -1.16 1.66 0.28 0.52 0.00 0.00 175.17 176.73 3dwk h SER 367 N 9.42 -0.34 -0.17 -0.34 0.02 -0.94 0.33 113.55 121.53 3dwk h SER 367 Ca -0.25 0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 60.81 3dwk h SER 367 Cb 1.09 0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.91 3dwk h SER 367 CO 1.06 -0.13 -0.04 0.11 -1.14 0.00 0.00 176.83 176.69 3dwk h LYS 368 N 0.08 0.33 0.05 3.45 1.57 -1.76 -3.36 116.57 116.92 3dwk h LYS 368 Ca 0.29 -0.12 -0.34 0.00 -1.87 0.00 0.00 60.65 58.61 3dwk h LYS 368 Cb 0.46 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.71 3dwk h LYS 368 CO -0.52 0.59 -1.99 0.25 -0.57 0.00 0.00 179.45 177.21 3dwk n THR 369 N -4.67 1.65 -0.21 -0.16 -2.24 -1.02 -4.98 114.28 102.65 3dwk n THR 369 Ca -0.05 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 61.01 3dwk n THR 369 Cb 0.26 -1.31 0.00 0.00 -2.10 0.00 0.00 70.33 67.18 3dwk n THR 369 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dwk n GLY 370 N 1.84 0.61 3.74 3.38 0.00 0.11 -4.85 105.19 110.02 3dwk n GLY 370 Ca -0.28 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.32 3dwk n GLY 370 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dwk s GLY 371 N -1.21 2.46 -0.41 -0.02 0.00 -1.25 -2.94 107.32 103.94 3dwk s GLY 371 Ca 0.00 1.17 -0.28 0.00 0.00 0.00 0.00 44.72 45.60 3dwk s GLY 371 CO 0.00 2.11 1.66 -2.27 0.00 0.00 0.00 173.10 174.60 3dwk s LEU 372 N -0.28 3.49 -0.01 0.66 2.96 -0.67 -0.82 118.68 124.00 3dwk s LEU 372 Ca 0.57 0.94 -0.06 0.00 -0.22 0.00 0.00 54.13 55.36 3dwk s LEU 372 Cb -0.38 -3.34 -0.29 0.00 0.50 0.00 0.00 46.19 42.68 3dwk s LEU 372 CO 0.40 -1.73 0.80 0.58 -1.32 0.00 0.00 176.35 175.08 3dwk h VAL 373 N 6.68 1.08 -1.91 1.68 2.07 -0.63 -3.25 116.25 121.98 3dwk h VAL 373 Ca -0.30 -2.70 -0.00 0.00 0.82 0.00 0.00 66.70 64.52 3dwk h VAL 373 Cb 1.14 2.77 -0.20 0.00 -1.52 0.00 0.00 31.29 33.48 3dwk h VAL 373 CO 1.09 0.83 0.33 0.00 0.02 0.00 0.00 177.57 179.83 3dwk s ALA 374 N -2.60 -1.82 -0.03 1.67 0.00 -0.84 -1.14 121.76 117.00 3dwk s ALA 374 Ca -0.11 1.36 -0.12 0.00 0.00 0.00 0.00 51.96 53.08 3dwk s ALA 374 Cb 0.06 -0.18 0.02 0.00 0.00 0.00 0.00 23.12 23.02 3dwk s ALA 374 CO 0.86 -0.38 0.28 -1.50 0.00 0.00 0.00 175.76 175.01 3dwk s ILE 375 N -1.37 0.05 -0.05 0.00 2.07 -1.26 -0.72 121.20 119.92 3dwk s ILE 375 Ca -0.07 -0.40 -0.01 0.00 -1.41 0.00 0.00 60.65 58.77 3dwk s ILE 375 Cb -0.00 -0.54 0.03 0.00 0.13 0.00 0.00 42.46 42.08 3dwk s ILE 375 CO 0.05 -0.22 0.01 -0.55 -1.91 0.00 0.00 174.94 172.32 3dwk s SER 376 N -0.98 1.00 0.06 4.50 0.15 -0.11 -4.16 113.70 114.17 3dwk s SER 376 Ca -0.11 -0.04 0.25 0.00 0.70 0.00 0.00 55.95 56.76 3dwk s SER 376 Cb -0.05 -0.31 0.54 0.00 -1.71 0.00 0.00 66.02 64.49 3dwk s SER 376 CO 0.03 -0.15 1.46 0.61 1.20 0.00 0.00 173.24 176.38 3dwk n GLY 377 N 4.67 -1.38 0.00 9.45 0.00 -1.26 -1.29 105.19 115.37 3dwk n GLY 377 Ca -0.16 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.61 3dwk n GLY 377 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwk n GLY 378 N 1.42 -2.29 3.70 -0.02 0.00 -1.24 -0.66 105.19 106.11 3dwk n GLY 378 Ca 0.05 -1.32 -0.42 0.00 0.00 0.00 0.00 46.02 44.32 3dwk n GLY 378 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3dwk s ARG 379 N -1.97 4.51 -1.36 1.61 1.70 -1.26 -3.48 118.95 118.69 3dwk s ARG 379 Ca 0.00 1.37 -0.04 0.00 -0.47 0.00 0.00 55.73 56.59 3dwk s ARG 379 Cb 0.00 -3.49 0.02 0.00 -0.57 0.00 0.00 34.95 30.91 3dwk s ARG 379 CO 0.00 -0.13 0.80 -0.25 -1.08 0.00 0.00 175.30 174.65 3dwk n ASP 380 N 4.25 -2.29 -4.66 -2.89 8.00 -1.26 -4.85 116.55 112.85 3dwk n ASP 380 Ca 0.06 -0.79 -0.42 0.00 0.71 0.00 0.00 54.79 54.35 3dwk n ASP 380 Cb 0.50 -4.12 -0.03 0.00 -0.02 0.00 0.00 41.12 37.46 3dwk n ASP 380 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3dwk s PHE 381 N -3.55 2.23 -0.14 1.24 2.19 -1.23 -5.02 117.98 113.71 3dwk s PHE 381 Ca 0.18 0.41 -0.08 0.00 0.33 0.00 0.00 56.93 57.78 3dwk s PHE 381 Cb -0.09 -3.81 -0.04 0.00 -1.31 0.00 0.00 43.02 37.77 3dwk s PHE 381 CO 0.81 -3.29 0.14 0.15 1.83 0.00 0.00 175.22 174.86 3dwk s LYS 382 N 3.79 3.61 0.00 10.12 -0.14 -1.26 -4.72 119.74 131.14 3dwk s LYS 382 Ca 0.69 -0.14 0.00 0.00 -1.36 0.00 0.00 55.97 55.16 3dwk s LYS 382 Cb -0.31 -3.24 0.00 0.00 -1.68 0.00 0.00 37.83 32.60 3dwk s LYS 382 CO 0.26 0.67 0.94 -3.47 -0.76 0.00 0.00 175.35 172.99 3dwk n ASP 383 N 2.31 0.00 0.10 2.83 -0.08 -1.26 -1.50 116.55 118.95 3dwk n ASP 383 Ca -0.19 0.94 0.07 0.00 -1.51 0.00 0.00 54.79 54.10 3dwk n ASP 383 Cb 0.54 -0.44 0.00 0.00 2.34 0.00 0.00 41.12 43.56 3dwk n ASP 383 CO 0.00 0.00 0.00 0.58 0.12 0.00 0.00 177.20 177.90 3dwk h VAL 384 N 0.00 0.27 -0.42 5.18 2.07 -1.96 -3.33 116.25 118.05 3dwk h VAL 384 Ca 0.00 -1.47 -0.02 0.00 0.82 0.00 0.00 66.70 66.04 3dwk h VAL 384 Cb 0.00 1.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 3dwk h VAL 384 CO 0.00 0.15 0.20 0.58 0.02 0.00 0.00 177.57 178.52 3dwk h VAL 385 N 0.00 1.18 -3.59 2.57 2.07 -1.83 -3.45 116.25 113.21 3dwk h VAL 385 Ca -0.05 -0.51 -0.67 0.00 0.82 0.00 0.00 66.70 66.29 3dwk h VAL 385 Cb 1.23 0.73 -0.17 0.00 -1.52 0.00 0.00 31.29 31.57 3dwk h VAL 385 CO 0.02 0.19 -0.70 0.20 0.02 0.00 0.00 177.57 177.31 3dwk s ASN 386 N -5.80 4.64 0.07 0.57 0.02 -0.56 -5.00 114.94 108.87 3dwk s ASN 386 Ca -0.13 -0.16 -0.31 0.00 -1.02 0.00 0.00 52.86 51.24 3dwk s ASN 386 Cb 0.11 -1.07 -0.08 0.00 0.02 0.00 0.00 41.25 40.22 3dwk s ASN 386 CO 0.75 0.27 1.62 -0.60 0.02 0.00 0.00 177.10 179.16 3dwk s ARG 387 N -1.50 4.21 -0.89 -0.60 6.06 -1.26 -4.82 118.95 120.14 3dwk s ARG 387 Ca 0.18 2.30 -0.25 0.00 -2.50 0.00 0.00 55.73 55.46 3dwk s ARG 387 Cb -0.11 -3.55 0.02 0.00 0.06 0.00 0.00 34.95 31.37 3dwk s ARG 387 CO 0.08 -0.71 1.51 1.21 -2.50 0.00 0.00 175.30 174.90 3dwk s ASN 388 N 2.23 6.10 0.03 -2.12 3.84 -1.26 -4.78 114.94 118.98 3dwk s ASN 388 Ca 0.73 -0.90 0.13 0.00 0.21 0.00 0.00 52.86 53.03 3dwk s ASN 388 Cb -0.39 -2.56 0.58 0.00 -0.55 0.00 0.00 41.25 38.32 3dwk s ASN 388 CO 0.32 -1.86 1.43 1.67 -2.79 0.00 0.00 177.10 175.86 3dwk n GLN 389 N 9.05 0.02 0.19 0.43 -0.06 0.16 -1.48 117.38 125.69 3dwk n GLN 389 Ca 0.24 0.31 0.08 0.00 -2.00 0.00 0.00 57.00 55.63 3dwk n GLN 389 Cb 0.50 -1.55 0.21 0.00 -4.06 0.00 0.00 30.24 25.34 3dwk n GLN 389 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3dwk h ALA 390 N 2.39 0.86 -0.00 1.69 0.00 -1.71 -3.34 119.26 119.15 3dwk h ALA 390 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3dwk h ALA 390 Cb 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3dwk h ALA 390 CO 0.00 0.35 -0.03 0.25 0.00 0.00 0.00 179.25 179.82 3dwk n THR 391 N -3.23 0.00 -2.96 0.00 -2.24 -0.55 -2.13 114.28 103.17 3dwk n THR 391 Ca 0.02 -0.48 -0.31 0.00 -2.27 0.00 0.00 64.05 61.00 3dwk n THR 391 Cb 0.58 1.02 -0.04 0.00 -2.10 0.00 0.00 70.33 69.79 3dwk n THR 391 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3dwk s ASP 392 N -0.56 6.62 0.22 3.42 1.11 -0.86 -4.70 116.67 121.91 3dwk s ASP 392 Ca 0.02 1.19 -0.30 0.00 0.18 0.00 0.00 52.55 53.63 3dwk s ASP 392 Cb 0.01 -2.34 -0.08 0.00 1.07 0.00 0.00 42.92 41.58 3dwk s ASP 392 CO 0.04 -0.33 0.97 -2.84 1.18 0.00 0.00 175.17 174.19 3dwk s PRO 393 N -3.52 4.80 0.09 8.23 0.02 -1.26 -3.85 135.00 139.51 3dwk s PRO 393 Ca 0.52 1.52 0.02 0.00 0.02 0.00 0.00 61.00 63.09 3dwk s PRO 393 Cb -0.10 -3.29 -0.04 0.00 0.02 0.00 0.00 34.50 31.09 3dwk s PRO 393 CO 0.26 0.42 -0.08 -1.01 -0.33 0.00 0.00 177.00 176.26 3dwk s HIS 394 N -0.94 0.88 0.29 6.54 3.76 -0.81 -4.78 115.29 120.23 3dwk s HIS 394 Ca 0.43 -0.76 -0.29 0.00 -0.15 0.00 0.00 55.06 54.29 3dwk s HIS 394 Cb -0.26 -0.50 -0.14 0.00 1.11 0.00 0.00 32.58 32.79 3dwk s HIS 394 CO 0.33 -0.10 1.18 -2.30 -0.85 0.00 0.00 174.74 172.99 3dwk n PRO 395 N 0.44 1.68 -0.00 8.40 -0.02 -1.26 -2.25 135.00 141.99 3dwk n PRO 395 Ca -0.15 0.59 0.10 0.00 -2.02 0.00 0.00 63.50 62.02 3dwk n PRO 395 Cb 0.59 -2.09 -0.11 0.00 -0.02 0.00 0.00 33.50 31.87 3dwk n PRO 395 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3dwk n THR 396 N 0.65 0.00 -4.88 3.45 -2.24 -0.95 -4.88 114.28 105.44 3dwk n THR 396 Ca 0.09 -0.07 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 3dwk n THR 396 Cb 0.32 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 3dwk n THR 396 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dwk n GLY 397 N 1.46 2.01 0.40 3.38 0.00 -1.21 -2.30 105.19 108.93 3dwk n GLY 397 Ca 0.03 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.57 3dwk n GLY 397 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3dwk n SER 398 N -1.05 0.79 0.19 1.61 3.41 -1.24 -2.76 113.62 114.57 3dwk n SER 398 Ca 0.00 -1.95 0.04 0.00 -0.26 0.00 0.00 58.87 56.70 3dwk n SER 398 Cb 0.00 -0.39 0.39 0.00 -0.26 0.00 0.00 64.21 63.95 3dwk n SER 398 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3dwk h SER 399 N 0.02 0.00 -0.01 4.04 0.02 -1.56 -3.23 113.55 112.83 3dwk h SER 399 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3dwk h SER 399 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 3dwk h SER 399 CO 0.00 0.34 -0.01 0.18 -1.14 0.00 0.00 176.83 176.21 3dwk n LEU 400 N -4.04 1.71 -0.26 5.07 4.77 -1.25 -4.32 117.00 118.68 3dwk n LEU 400 Ca -0.02 -0.57 0.04 0.00 -0.03 0.00 0.00 56.01 55.43 3dwk n LEU 400 Cb 0.39 -0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.65 3dwk n LEU 400 CO 0.38 0.29 1.05 0.11 -1.33 0.00 0.00 177.39 177.89 3dwk h LYS 401 N 2.68 0.52 -0.03 3.23 1.57 -1.77 0.87 116.57 123.65 3dwk h LYS 401 Ca 0.00 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3dwk h LYS 401 Cb 0.57 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 3dwk h LYS 401 CO 0.00 0.34 0.19 -1.35 -0.57 0.00 0.00 179.45 178.06 3dwk h PRO 402 N 0.53 0.00 0.00 3.15 0.11 -1.87 -1.12 132.00 132.80 3dwk h PRO 402 Ca 0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.51 3dwk h PRO 402 Cb 0.53 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.64 3dwk h PRO 402 CO -0.34 0.00 -1.13 1.19 -0.21 0.00 0.00 178.00 177.50 3dwk n PHE 403 N -3.09 0.00 0.05 0.65 0.99 0.22 -1.60 117.46 114.69 3dwk n PHE 403 Ca -0.02 0.00 0.01 0.00 -0.00 0.00 0.00 57.45 57.44 3dwk n PHE 403 Cb 0.26 -0.16 -0.01 0.00 -1.00 0.00 0.00 39.48 38.56 3dwk n PHE 403 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 3dwk n LEU 404 N -1.65 0.05 0.00 4.37 4.77 -0.74 -4.05 117.00 119.76 3dwk n LEU 404 Ca -0.00 -0.29 0.00 0.00 -0.03 0.00 0.00 56.01 55.68 3dwk n LEU 404 Cb 0.25 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 3dwk n LEU 404 CO 0.24 0.01 0.00 0.00 -1.33 0.00 0.00 177.39 176.31 3dwk n ALA 405 N -1.26 2.16 -0.01 -1.18 0.00 -0.45 -4.54 120.51 115.22 3dwk n ALA 405 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.34 3dwk n ALA 405 Cb 0.04 0.00 0.04 0.00 0.00 0.00 0.00 19.45 19.53 3dwk n ALA 405 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3dwk h TYR 406 N 0.00 0.78 0.51 0.00 0.05 -1.72 -2.60 116.97 113.99 3dwk h TYR 406 Ca 0.00 -0.28 -0.02 0.00 0.05 0.00 0.00 58.73 58.48 3dwk h TYR 406 Cb 0.00 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 37.59 3dwk h TYR 406 CO 0.00 1.03 -0.37 0.78 -1.05 0.00 0.00 178.16 178.55 3dwk h GLY 407 N 0.99 -1.09 1.80 3.88 0.00 -1.46 -0.28 103.07 106.91 3dwk h GLY 407 Ca 0.01 0.46 0.02 0.00 0.00 0.00 0.00 47.33 47.82 3dwk h GLY 407 CO 0.11 -0.36 0.08 -0.56 0.00 0.00 0.00 176.54 175.81 3dwk h PRO 408 N -0.84 0.00 -0.12 4.80 0.13 -1.76 -1.02 132.00 133.19 3dwk h PRO 408 Ca -0.07 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.84 3dwk h PRO 408 Cb 0.69 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.83 3dwk h PRO 408 CO 0.04 0.00 -0.81 0.00 -0.23 0.00 0.00 178.00 177.00 3dwk h ALA 409 N 1.91 0.26 -0.06 -0.56 0.00 -1.13 -0.27 119.26 119.41 3dwk h ALA 409 Ca 0.04 -0.61 -0.15 0.00 0.00 0.00 0.00 54.91 54.18 3dwk h ALA 409 Cb 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3dwk h ALA 409 CO -0.00 0.66 -0.64 0.82 0.00 0.00 0.00 179.25 180.09 3dwk h ILE 410 N 0.49 1.40 0.27 0.00 2.04 -0.54 -2.75 117.51 118.41 3dwk h ILE 410 Ca -0.07 -2.06 -0.01 0.00 1.00 0.00 0.00 64.86 63.72 3dwk h ILE 410 Cb 1.44 2.06 0.00 0.00 -0.74 0.00 0.00 36.82 39.59 3dwk h ILE 410 CO 0.17 0.61 -0.13 -0.08 0.00 0.00 0.00 178.15 178.72 3dwk h GLU 411 N 0.17 -0.35 0.00 2.37 4.57 -1.19 -2.97 114.58 117.18 3dwk h GLU 411 Ca -0.01 0.02 -0.15 0.00 -1.18 0.00 0.00 59.36 58.04 3dwk h GLU 411 Cb 1.16 0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 29.81 3dwk h GLU 411 CO 0.10 -0.01 -0.86 -0.91 -1.18 0.00 0.00 179.01 176.15 3dwk h ASN 412 N -0.92 0.00 0.00 1.04 2.35 -1.14 -3.34 115.58 113.56 3dwk h ASN 412 Ca -0.04 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3dwk h ASN 412 Cb 0.50 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.87 3dwk h ASN 412 CO 0.06 0.64 -0.26 1.15 -1.65 0.00 0.00 177.43 177.38 3dwk n MET 413 N -3.17 0.65 -4.14 0.81 0.00 -1.04 -4.96 117.12 105.27 3dwk n MET 413 Ca -0.02 -1.81 -0.34 0.00 0.00 0.00 0.00 57.70 55.53 3dwk n MET 413 Cb 0.81 -1.00 -0.04 0.00 0.00 0.00 0.00 33.22 32.99 3dwk n MET 413 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60 3dwk n LYS 414 N -0.72 -1.23 -2.19 3.17 5.02 -1.12 -4.93 118.16 116.16 3dwk n LYS 414 Ca 0.08 0.17 -0.34 0.00 -2.02 0.00 0.00 58.31 56.20 3dwk n LYS 414 Cb 0.67 -3.51 0.00 0.00 -0.02 0.00 0.00 35.03 32.17 3dwk n LYS 414 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3dwk s TRP 415 N -4.00 2.76 0.49 2.13 0.52 -1.23 -4.60 118.94 115.01 3dwk s TRP 415 Ca 0.17 1.55 -0.06 0.00 0.02 0.00 0.00 56.10 57.77 3dwk s TRP 415 Cb -0.09 -3.19 -0.04 0.00 -1.15 0.00 0.00 33.47 29.00 3dwk s TRP 415 CO 0.96 -1.40 0.81 0.00 0.02 0.00 0.00 176.95 177.35 3dwk s ALA 416 N -2.00 3.36 0.34 0.98 0.00 -1.26 -4.62 121.76 118.55 3dwk s ALA 416 Ca 0.69 -0.42 0.04 0.00 0.00 0.00 0.00 51.96 52.27 3dwk s ALA 416 Cb -0.21 -2.66 0.60 0.00 0.00 0.00 0.00 23.12 20.85 3dwk s ALA 416 CO 0.30 -0.36 1.88 1.79 0.00 0.00 0.00 175.76 179.37 3dwk h THR 417 N 0.25 1.19 -0.44 0.00 1.35 -0.91 -1.21 112.91 113.14 3dwk h THR 417 Ca -0.47 -0.75 -0.17 0.00 -0.55 0.00 0.00 66.41 64.48 3dwk h THR 417 Cb 1.20 0.90 -0.10 0.00 -1.73 0.00 0.00 68.15 68.42 3dwk h THR 417 CO 0.62 0.26 0.21 -0.46 -0.25 0.00 0.00 175.52 175.90 3dwk n ASN 418 N -4.29 3.46 -4.74 5.36 6.94 -1.00 -1.73 115.26 119.26 3dwk n ASN 418 Ca 0.02 -2.71 -0.40 0.00 -0.02 0.00 0.00 54.58 51.46 3dwk n ASN 418 Cb 0.23 -0.65 0.02 0.00 -2.36 0.00 0.00 39.78 37.02 3dwk n ASN 418 CO 0.00 0.00 0.00 1.57 -1.03 0.00 0.00 177.26 177.80 3dwk n HIS 419 N -0.09 2.47 -4.14 -2.53 -0.00 -0.46 -1.85 115.22 108.62 3dwk n HIS 419 Ca 0.25 0.46 -0.34 0.00 0.46 0.00 0.00 57.72 58.55 3dwk n HIS 419 Cb 0.98 -2.43 -0.10 0.00 -0.12 0.00 0.00 29.99 28.32 3dwk n HIS 419 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3dwk s ALA 420 N -1.20 3.28 0.00 1.57 0.00 -0.94 -0.73 121.76 123.74 3dwk s ALA 420 Ca 0.61 -0.77 0.07 0.00 0.00 0.00 0.00 51.96 51.87 3dwk s ALA 420 Cb -0.47 -1.80 -0.02 0.00 0.00 0.00 0.00 23.12 20.83 3dwk s ALA 420 CO 0.58 0.20 -0.21 0.42 0.00 0.00 0.00 175.76 176.74 3dwk s ILE 421 N 0.35 1.68 -0.36 0.00 1.01 0.04 -4.83 121.20 119.08 3dwk s ILE 421 Ca 0.01 -1.00 -0.25 0.00 0.00 0.00 0.00 60.65 59.41 3dwk s ILE 421 Cb -0.13 -1.41 0.01 0.00 0.01 0.00 0.00 42.46 40.94 3dwk s ILE 421 CO 0.01 0.39 0.87 -1.58 0.00 0.00 0.00 174.94 174.63 3dwk s GLN 422 N -0.72 3.82 0.56 2.79 2.00 -1.26 -0.95 119.66 125.91 3dwk s GLN 422 Ca 0.08 0.50 -0.05 0.00 -2.00 0.00 0.00 55.36 53.89 3dwk s GLN 422 Cb -0.08 -3.80 0.00 0.00 0.80 0.00 0.00 33.01 29.93 3dwk s GLN 422 CO 0.00 -0.90 0.86 0.34 -0.50 0.00 0.00 175.29 175.09 3dwk s ASP 423 N 1.84 5.65 0.34 6.67 2.15 0.19 -4.81 116.67 128.71 3dwk s ASP 423 Ca 0.36 0.65 -0.05 0.00 0.43 0.00 0.00 52.55 53.94 3dwk s ASP 423 Cb -0.12 -1.70 0.01 0.00 -0.30 0.00 0.00 42.92 40.81 3dwk s ASP 423 CO 0.18 -0.99 0.52 -1.61 -0.17 0.00 0.00 175.17 173.09 3dwk s GLU 424 N -4.91 1.93 -0.09 4.34 2.02 -1.26 -4.31 118.70 116.42 3dwk s GLU 424 Ca 0.53 -1.69 -0.11 0.00 0.02 0.00 0.00 54.97 53.72 3dwk s GLU 424 Cb -0.10 0.47 -0.28 0.00 0.10 0.00 0.00 34.13 34.31 3dwk s GLU 424 CO 0.44 -0.82 0.53 0.66 0.02 0.00 0.00 175.26 176.09 3dwk h SER 425 N 2.10 0.48 -1.00 -0.19 4.64 -1.88 -3.34 113.55 114.36 3dwk h SER 425 Ca -0.29 -0.91 -0.65 0.00 -0.47 0.00 0.00 61.79 59.47 3dwk h SER 425 Cb 1.24 -0.16 -0.13 0.00 -0.31 0.00 0.00 62.40 63.05 3dwk h SER 425 CO 0.39 1.77 -0.56 -0.44 -0.87 0.00 0.00 176.83 177.12 3dwk s SER 426 N -7.14 3.99 -0.29 4.97 0.01 -1.26 -4.19 113.70 109.79 3dwk s SER 426 Ca -0.19 -1.52 -0.23 0.00 1.31 0.00 0.00 55.95 55.31 3dwk s SER 426 Cb 0.06 0.10 0.15 0.00 0.21 0.00 0.00 66.02 66.54 3dwk s SER 426 CO 0.80 -0.67 1.17 -0.47 0.41 0.00 0.00 173.24 174.48 3dwk s TYR 427 N -2.81 -0.33 -0.18 2.43 6.14 -0.36 -4.94 117.35 117.30 3dwk s TYR 427 Ca 0.19 0.76 -0.10 0.00 0.64 0.00 0.00 57.07 58.56 3dwk s TYR 427 Cb 0.05 0.38 -0.05 0.00 0.42 0.00 0.00 41.96 42.76 3dwk s TYR 427 CO 0.10 -0.16 0.16 -0.65 0.64 0.00 0.00 175.55 175.64 3dwk s GLN 428 N 0.37 4.12 -0.22 4.97 -1.52 -1.26 -0.74 119.66 125.39 3dwk s GLN 428 Ca 0.02 -0.15 -0.04 0.00 -1.95 0.00 0.00 55.36 53.24 3dwk s GLN 428 Cb -0.05 -3.40 0.09 0.00 -0.22 0.00 0.00 33.01 29.43 3dwk s GLN 428 CO -0.11 0.34 0.15 0.08 -0.25 0.00 0.00 175.29 175.51 3dwk s VAL 429 N 0.23 -0.18 0.00 1.09 1.01 -0.92 -5.02 120.40 116.60 3dwk s VAL 429 Ca 0.10 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.78 3dwk s VAL 429 Cb -0.12 -0.73 0.00 0.00 0.00 0.00 0.00 36.38 35.54 3dwk s VAL 429 CO -0.00 -0.37 0.00 0.47 0.00 0.00 0.00 175.10 175.19 3dwk n ASP 430 N 5.29 -0.45 -1.70 3.32 9.92 -1.26 -3.32 116.55 128.35 3dwk n ASP 430 Ca -0.06 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.11 3dwk n ASP 430 Cb 0.47 0.00 0.02 0.00 -0.64 0.00 0.00 41.12 40.98 3dwk n ASP 430 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3dwk n GLY 431 N 0.00 3.38 2.89 0.44 0.00 -1.26 -4.83 105.19 105.81 3dwk n GLY 431 Ca 0.00 -0.61 -0.12 0.00 0.00 0.00 0.00 46.02 45.28 3dwk n GLY 431 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dwk s SER 432 N 0.92 -0.02 0.03 1.61 0.01 -1.21 -5.15 113.70 109.89 3dwk s SER 432 Ca 0.18 0.04 -0.05 0.00 1.31 0.00 0.00 55.95 57.43 3dwk s SER 432 Cb 0.14 0.04 -0.05 0.00 0.21 0.00 0.00 66.02 66.36 3dwk s SER 432 CO -0.00 -0.02 0.27 -0.89 0.41 0.00 0.00 173.24 173.01 3dwk s THR 433 N 0.08 5.31 -0.01 1.44 2.01 -1.26 -2.17 115.64 121.03 3dwk s THR 433 Ca -0.01 0.06 0.03 0.00 0.31 0.00 0.00 61.69 62.09 3dwk s THR 433 Cb -0.01 -3.58 -0.01 0.00 0.01 0.00 0.00 72.50 68.92 3dwk s THR 433 CO -0.00 0.29 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.76 3dwk s PHE 434 N -1.37 0.99 0.21 4.92 0.40 0.08 -4.96 117.98 118.24 3dwk s PHE 434 Ca 0.30 -0.20 0.02 0.00 -0.60 0.00 0.00 56.93 56.46 3dwk s PHE 434 Cb -0.13 -0.64 -0.05 0.00 0.51 0.00 0.00 43.02 42.71 3dwk s PHE 434 CO 0.19 -0.03 0.02 -0.98 0.70 0.00 0.00 175.22 175.12 3dwk s ARG 435 N -0.20 1.25 0.70 0.44 1.70 -1.26 -1.22 118.95 120.37 3dwk s ARG 435 Ca 0.03 -1.63 -0.12 0.00 -0.47 0.00 0.00 55.73 53.54 3dwk s ARG 435 Cb -0.05 -0.40 0.02 0.00 -0.57 0.00 0.00 34.95 33.95 3dwk s ARG 435 CO -0.00 -0.15 1.08 -0.80 -1.08 0.00 0.00 175.30 174.35 3dwk s ASN 436 N -3.25 5.11 0.24 -2.89 0.01 -1.26 -4.79 114.94 108.11 3dwk s ASN 436 Ca 0.28 1.79 -0.06 0.00 -0.71 0.00 0.00 52.86 54.16 3dwk s ASN 436 Cb 0.06 -2.52 0.26 0.00 0.41 0.00 0.00 41.25 39.46 3dwk s ASN 436 CO 0.08 -1.63 1.87 0.22 -1.51 0.00 0.00 177.10 176.13 3dwk h TYR 437 N -0.52 1.20 -0.03 2.20 3.20 -1.94 -0.03 116.97 121.05 3dwk h TYR 437 Ca -0.45 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.40 3dwk h TYR 437 Cb 1.23 -0.38 0.00 0.00 1.54 0.00 0.00 36.73 39.11 3dwk h TYR 437 CO 0.59 0.82 0.00 -0.40 -1.64 0.00 0.00 178.16 177.53 3dwk n ASP 438 N -4.34 0.25 0.00 -2.11 5.68 -1.26 -4.89 116.55 109.88 3dwk n ASP 438 Ca 0.09 -1.52 0.00 0.00 -0.50 0.00 0.00 54.79 52.86 3dwk n ASP 438 Cb 0.09 -0.02 0.00 0.00 -1.14 0.00 0.00 41.12 40.05 3dwk n ASP 438 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 3dwk n THR 439 N -0.60 0.00 -2.68 2.12 5.66 -0.03 -4.95 114.28 113.81 3dwk n THR 439 Ca 0.13 0.00 -0.22 0.00 -3.05 0.00 0.00 64.05 60.90 3dwk n THR 439 Cb 0.10 -0.22 0.09 0.00 -1.55 0.00 0.00 70.33 68.75 3dwk n THR 439 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 3dwk s LYS 440 N -0.44 1.90 -0.07 1.09 -0.14 -1.26 -4.79 119.74 116.02 3dwk s LYS 440 Ca 0.00 -1.18 0.05 0.00 -1.36 0.00 0.00 55.97 53.48 3dwk s LYS 440 Cb 0.00 -2.41 -0.01 0.00 -1.68 0.00 0.00 37.83 33.73 3dwk s LYS 440 CO 0.00 -1.25 -0.22 0.45 -0.76 0.00 0.00 175.35 173.57 3dwk s SER 441 N -4.69 3.32 -0.11 2.83 0.15 -1.25 -4.25 113.70 109.70 3dwk s SER 441 Ca 0.64 -0.45 0.16 0.00 0.70 0.00 0.00 55.95 57.00 3dwk s SER 441 Cb -0.06 -1.01 0.59 0.00 -1.71 0.00 0.00 66.02 63.83 3dwk s SER 441 CO 0.43 0.24 1.50 1.41 1.20 0.00 0.00 173.24 178.02 3dwk n HIS 442 N 3.01 1.16 -2.93 3.44 -0.00 -1.26 -4.94 115.22 113.69 3dwk n HIS 442 Ca -0.18 -0.66 0.00 0.00 -0.00 0.00 0.00 57.72 56.88 3dwk n HIS 442 Cb 0.52 -0.23 0.00 0.00 -0.00 0.00 0.00 29.99 30.28 3dwk n HIS 442 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3dwk n GLY 443 N 0.55 2.59 3.73 -1.41 0.00 -1.26 -4.60 105.19 104.79 3dwk n GLY 443 Ca 0.22 -0.39 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 3dwk n GLY 443 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dwk s THR 444 N 0.00 4.68 0.00 2.61 2.01 -1.26 0.57 115.64 124.25 3dwk s THR 444 Ca 0.00 1.85 0.00 0.00 0.31 0.00 0.00 61.69 63.85 3dwk s THR 444 Cb 0.00 -4.22 -0.00 0.00 0.01 0.00 0.00 72.50 68.29 3dwk s THR 444 CO 0.00 0.31 -0.01 0.68 -0.69 0.00 0.00 174.62 174.92 3dwk s VAL 445 N 0.17 0.02 0.27 3.82 -7.23 -0.13 -4.94 120.40 112.38 3dwk s VAL 445 Ca 0.44 -0.15 -0.29 0.00 -1.81 0.00 0.00 61.98 60.16 3dwk s VAL 445 Cb -0.21 -0.05 -0.09 0.00 0.56 0.00 0.00 36.38 36.58 3dwk s VAL 445 CO 0.26 -0.08 1.19 -0.94 -0.31 0.00 0.00 175.10 175.22 3dwk s SER 446 N -0.24 7.06 0.60 4.85 1.04 -1.26 -0.78 113.70 124.97 3dwk s SER 446 Ca -0.03 2.39 0.39 0.00 0.48 0.00 0.00 55.95 59.18 3dwk s SER 446 Cb -0.02 -2.63 1.94 0.00 0.10 0.00 0.00 66.02 65.42 3dwk s SER 446 CO -0.00 -0.33 2.18 0.16 0.98 0.00 0.00 173.24 176.23 3dwk h ILE 447 N 3.28 0.00 -0.60 -1.02 3.07 -0.99 -0.89 117.51 120.36 3dwk h ILE 447 Ca -0.47 -0.20 0.04 0.00 1.55 0.00 0.00 64.86 65.78 3dwk h ILE 447 Cb 1.22 1.17 -0.05 0.00 -0.27 0.00 0.00 36.82 38.89 3dwk h ILE 447 CO 0.69 0.00 0.34 0.22 -1.05 0.00 0.00 178.15 178.35 3dwk h TYR 448 N 0.00 0.62 0.04 0.16 5.03 -1.60 -0.56 116.97 120.66 3dwk h TYR 448 Ca 0.00 0.02 -0.20 0.00 2.58 0.00 0.00 58.73 61.13 3dwk h TYR 448 Cb 0.21 -0.19 0.02 0.00 1.55 0.00 0.00 36.73 38.31 3dwk h TYR 448 CO 0.00 0.32 -0.81 -0.44 -1.32 0.00 0.00 178.16 175.91 3dwk h ASP 449 N 0.65 0.64 -0.26 -2.11 3.32 -1.53 -2.69 116.42 114.43 3dwk h ASP 449 Ca 0.26 -0.80 0.07 0.00 0.02 0.00 0.00 57.03 56.58 3dwk h ASP 449 Cb 0.11 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 3dwk h ASP 449 CO -0.15 1.37 0.28 0.00 -1.72 0.00 0.00 179.24 179.02 3dwk h ALA 450 N 0.28 1.92 0.00 3.45 0.00 -0.97 0.02 119.26 123.97 3dwk h ALA 450 Ca -0.11 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.53 3dwk h ALA 450 Cb 1.53 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.30 3dwk h ALA 450 CO 0.16 -0.41 -1.39 -0.11 0.00 0.00 0.00 179.25 177.50 3dwk n LEU 451 N -3.80 1.89 0.00 0.00 7.94 -0.24 -2.08 117.00 120.71 3dwk n LEU 451 Ca 0.03 0.41 0.06 0.00 -1.11 0.00 0.00 56.01 55.41 3dwk n LEU 451 Cb 0.42 -0.96 0.29 0.00 0.53 0.00 0.00 43.42 43.70 3dwk n LEU 451 CO 0.28 0.32 0.71 -2.11 -1.11 0.00 0.00 177.39 175.47 3dwk n ARG 452 N -4.39 0.03 0.00 1.96 1.85 -0.78 -1.67 116.66 113.66 3dwk n ARG 452 Ca -0.34 0.26 0.00 0.00 -1.00 0.00 0.00 57.85 56.77 3dwk n ARG 452 Cb 0.71 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.62 3dwk n ARG 452 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 3dwk n GLN 453 N -1.47 2.13 -3.24 2.89 6.02 -0.08 -0.78 117.38 122.85 3dwk n GLN 453 Ca 0.04 -0.29 -0.15 0.00 -0.01 0.00 0.00 57.00 56.59 3dwk n GLN 453 Cb 0.15 -0.78 0.07 0.00 1.02 0.00 0.00 30.24 30.71 3dwk n GLN 453 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3dwk n SER 454 N -0.39 -5.13 -4.77 1.08 2.88 -0.67 -4.81 113.62 101.81 3dwk n SER 454 Ca 0.00 -0.66 -0.38 0.00 -1.33 0.00 0.00 58.87 56.50 3dwk n SER 454 Cb 0.01 -5.01 -0.04 0.00 -0.75 0.00 0.00 64.21 58.42 3dwk n SER 454 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 3dwk s PHE 455 N -3.37 3.37 -0.13 0.66 0.08 -0.88 -4.83 117.98 112.88 3dwk s PHE 455 Ca 0.31 1.66 -0.07 0.00 0.12 0.00 0.00 56.93 58.94 3dwk s PHE 455 Cb -0.04 -3.23 -0.25 0.00 -0.57 0.00 0.00 43.02 38.93 3dwk s PHE 455 CO 0.71 -0.68 0.34 0.09 -0.10 0.00 0.00 175.22 175.58 3dwk n ASN 456 N 0.47 2.11 0.15 1.36 3.02 -1.26 -3.83 115.26 117.28 3dwk n ASN 456 Ca 0.02 0.21 -0.14 0.00 -0.03 0.00 0.00 54.58 54.65 3dwk n ASN 456 Cb 0.47 -0.86 -0.08 0.00 -0.61 0.00 0.00 39.78 38.70 3dwk n ASN 456 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3dwk h ILE 457 N -0.00 0.79 -0.65 2.41 1.08 -1.92 -2.01 117.51 117.21 3dwk h ILE 457 Ca -0.43 -0.15 0.10 0.00 -0.39 0.00 0.00 64.86 63.99 3dwk h ILE 457 Cb 1.98 0.87 -0.04 0.00 -3.07 0.00 0.00 36.82 36.56 3dwk h ILE 457 CO 0.06 0.03 0.43 -0.65 -0.69 0.00 0.00 178.15 177.34 3dwk h PRO 458 N -0.40 0.49 -0.03 2.37 0.11 -1.88 0.16 132.00 132.82 3dwk h PRO 458 Ca -0.03 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.91 3dwk h PRO 458 Cb 0.31 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 31.29 3dwk h PRO 458 CO 0.06 0.32 -0.62 0.00 -0.21 0.00 0.00 178.00 177.55 3dwk h ALA 459 N 1.67 0.92 -0.20 -0.75 0.00 -1.63 -0.60 119.26 118.68 3dwk h ALA 459 Ca 0.30 -0.56 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 3dwk h ALA 459 Cb 0.51 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 3dwk h ALA 459 CO -0.09 0.76 -0.16 -0.07 0.00 0.00 0.00 179.25 179.68 3dwk h LEU 460 N 0.07 0.49 0.33 0.00 3.38 -0.14 -1.12 115.31 118.32 3dwk h LEU 460 Ca -0.01 -0.46 -0.00 0.00 0.09 0.00 0.00 57.88 57.50 3dwk h LEU 460 Cb 1.11 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 3dwk h LEU 460 CO 0.09 0.84 -0.52 0.11 0.09 0.00 0.00 178.44 179.05 3dwk h LYS 461 N 0.14 -0.87 -0.66 1.13 1.79 -0.70 -0.43 116.57 116.97 3dwk h LYS 461 Ca 0.04 0.06 0.13 0.00 -2.18 0.00 0.00 60.65 58.69 3dwk h LYS 461 Cb 0.69 0.20 -0.09 0.00 -1.58 0.00 0.00 32.23 31.45 3dwk h LYS 461 CO 0.04 -0.58 0.18 0.00 -1.08 0.00 0.00 179.45 178.02 3dwk h ALA 462 N -0.72 0.83 -0.59 3.86 0.00 -1.11 0.26 119.26 121.80 3dwk h ALA 462 Ca -0.04 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3dwk h ALA 462 Cb 0.83 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 3dwk h ALA 462 CO -0.16 -0.28 0.36 2.35 0.00 0.00 0.00 179.25 181.51 3dwk h TRP 463 N 0.31 0.76 -0.02 0.00 7.01 -1.01 -0.31 115.95 122.69 3dwk h TRP 463 Ca 0.35 0.01 -0.15 0.00 2.11 0.00 0.00 58.89 61.21 3dwk h TRP 463 Cb 0.54 -0.25 -0.02 0.00 -2.10 0.00 0.00 29.16 27.33 3dwk h TRP 463 CO -0.23 0.51 -0.66 1.96 -2.79 0.00 0.00 178.44 177.23 3dwk h GLN 464 N 0.81 0.09 -0.05 2.65 4.20 0.11 -2.17 115.11 120.75 3dwk h GLN 464 Ca 0.21 -0.07 -0.16 0.00 0.06 0.00 0.00 58.65 58.69 3dwk h GLN 464 Cb -0.04 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 3dwk h GLN 464 CO -0.04 0.72 -0.68 0.77 -0.67 0.00 0.00 178.83 178.92 3dwk h SER 465 N 0.06 0.28 0.20 1.46 0.02 0.17 -2.39 113.55 113.36 3dwk h SER 465 Ca -0.01 -0.18 -0.13 0.00 -0.84 0.00 0.00 61.79 60.63 3dwk h SER 465 Cb 1.17 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.62 3dwk h SER 465 CO 0.09 0.88 -0.49 0.58 -1.14 0.00 0.00 176.83 176.75 3dwk h VAL 466 N 0.17 1.34 -0.10 2.27 2.07 -1.01 -1.96 116.25 119.03 3dwk h VAL 466 Ca -0.02 -1.72 -0.10 0.00 0.82 0.00 0.00 66.70 65.68 3dwk h VAL 466 Cb 1.22 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 32.76 3dwk h VAL 466 CO 0.11 0.52 -0.41 0.50 0.02 0.00 0.00 177.57 178.31 3dwk h LYS 467 N 0.27 0.21 0.00 1.57 3.64 -1.10 -2.26 116.57 118.91 3dwk h LYS 467 Ca 0.01 -0.10 -0.05 0.00 -1.27 0.00 0.00 60.65 59.25 3dwk h LYS 467 Cb 0.97 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.78 3dwk h LYS 467 CO 0.08 0.59 -0.37 1.96 -2.27 0.00 0.00 179.45 179.45 3dwk h GLN 468 N 0.18 0.00 0.00 1.90 4.20 -1.37 -2.77 115.11 117.25 3dwk h GLN 468 Ca 0.02 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.73 3dwk h GLN 468 Cb 0.81 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.59 3dwk h GLN 468 CO 0.06 0.48 0.00 0.09 -0.67 0.00 0.00 178.83 178.79 3dwk n ASN 469 N -4.63 0.00 0.00 1.46 4.13 -0.74 -3.66 115.26 111.82 3dwk n ASN 469 Ca -0.11 -0.35 0.00 0.00 1.68 0.00 0.00 54.58 55.80 3dwk n ASN 469 Cb 0.33 -0.21 0.00 0.00 -1.54 0.00 0.00 39.78 38.36 3dwk n ASN 469 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3dwk n ALA 470 N -1.21 0.24 0.00 5.41 0.00 -0.85 -4.93 120.51 119.17 3dwk n ALA 470 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3dwk n ALA 470 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.65 3dwk n ALA 470 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dwk n GLY 471 N 0.08 2.48 0.32 0.00 0.00 -1.12 -4.47 105.19 102.47 3dwk n GLY 471 Ca 0.00 -1.73 0.21 0.00 0.00 0.00 0.00 46.02 44.50 3dwk n GLY 471 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3dwk h ASN 472 N 0.00 0.00 -0.57 1.61 2.35 -1.79 -0.87 115.58 116.31 3dwk h ASN 472 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3dwk h ASN 472 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3dwk h ASN 472 CO 0.00 0.00 0.00 0.47 -1.65 0.00 0.00 177.43 176.25 3dwk n ASP 473 N -3.06 3.75 -0.05 5.81 8.00 -1.26 -4.49 116.55 125.25 3dwk n ASP 473 Ca -0.02 -2.00 -0.11 0.00 0.71 0.00 0.00 54.79 53.37 3dwk n ASP 473 Cb 0.15 -0.38 -0.05 0.00 -0.02 0.00 0.00 41.12 40.81 3dwk n ASP 473 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dwk h ALA 474 N 4.44 0.22 0.01 2.24 0.00 -1.37 -1.51 119.26 123.29 3dwk h ALA 474 Ca 0.00 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.78 3dwk h ALA 474 Cb 1.00 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.70 3dwk h ALA 474 CO 0.00 -0.13 -0.13 -1.35 0.00 0.00 0.00 179.25 177.63 3dwk h PRO 475 N 0.07 -0.23 -0.48 0.00 0.11 -1.79 -1.69 132.00 128.00 3dwk h PRO 475 Ca 0.05 0.02 0.09 0.00 0.11 0.00 0.00 66.00 66.27 3dwk h PRO 475 Cb 0.28 0.05 -0.08 0.00 0.11 0.00 0.00 31.00 31.36 3dwk h PRO 475 CO 0.00 -0.15 0.02 -0.22 -0.21 0.00 0.00 178.00 177.44 3dwk h LYS 476 N -0.23 0.13 -0.08 1.05 3.64 -1.81 -1.39 116.57 117.87 3dwk h LYS 476 Ca 0.04 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.43 3dwk h LYS 476 Cb 0.29 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 3dwk h LYS 476 CO -0.12 0.09 0.01 0.87 -2.27 0.00 0.00 179.45 178.02 3dwk h LYS 477 N 0.13 0.04 -0.05 1.90 1.57 -1.13 0.29 116.57 119.33 3dwk h LYS 477 Ca 0.24 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 59.04 3dwk h LYS 477 Cb 0.35 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.62 3dwk h LYS 477 CO -0.38 0.03 -0.13 0.35 -0.57 0.00 0.00 179.45 178.75 3dwk h PHE 478 N 0.04 -0.33 -0.62 -1.35 3.04 -0.92 -2.18 116.94 114.62 3dwk h PHE 478 Ca 0.04 0.01 -0.05 0.00 3.98 0.00 0.00 57.97 61.95 3dwk h PHE 478 Cb 0.03 0.15 -0.03 0.00 2.56 0.00 0.00 35.95 38.67 3dwk h PHE 478 CO -0.11 -0.19 0.17 0.00 -2.02 0.00 0.00 178.31 176.15 3dwk h ALA 479 N 0.80 1.12 0.00 2.41 0.00 -1.04 -2.67 119.26 119.88 3dwk h ALA 479 Ca 0.06 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3dwk h ALA 479 Cb 0.28 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3dwk h ALA 479 CO -0.16 0.60 0.00 0.00 0.00 0.00 0.00 179.25 179.68 3dwk h ALA 480 N 1.26 1.00 0.00 0.00 0.00 0.07 -0.70 119.26 120.89 3dwk h ALA 480 Ca 0.20 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 3dwk h ALA 480 Cb 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3dwk h ALA 480 CO -0.00 0.00 -0.37 0.87 0.00 0.00 0.00 179.25 179.75 3dwk h LYS 481 N 0.00 0.00 -0.68 0.00 1.79 -1.04 -3.16 116.57 113.47 3dwk h LYS 481 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3dwk h LYS 481 Cb 0.35 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 3dwk h LYS 481 CO 0.00 0.37 0.00 1.28 -1.08 0.00 0.00 179.45 180.02 3dwk n LEU 482 N -3.52 4.71 0.00 2.94 4.77 -0.33 -4.76 117.00 120.80 3dwk n LEU 482 Ca -0.00 -2.37 0.00 0.00 -0.03 0.00 0.00 56.01 53.61 3dwk n LEU 482 Cb 0.51 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 3dwk n LEU 482 CO 0.37 0.85 0.00 0.61 -1.33 0.00 0.00 177.39 177.89 3dwk n GLY 483 N 1.26 0.81 3.39 -0.72 0.00 -1.19 -4.18 105.19 104.56 3dwk n GLY 483 Ca 0.26 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.83 3dwk n GLY 483 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dwk s LEU 484 N 0.00 5.96 0.25 0.99 1.43 -0.81 -4.99 118.68 121.51 3dwk s LEU 484 Ca 0.00 -2.37 0.00 0.00 -1.03 0.00 0.00 54.13 50.73 3dwk s LEU 484 Cb 0.00 -2.30 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 3dwk s LEU 484 CO 0.00 -0.81 0.44 0.20 0.23 0.00 0.00 176.35 176.42 3dwk s ASN 485 N 2.86 6.36 -0.08 2.29 0.01 -1.26 -3.31 114.94 121.80 3dwk s ASN 485 Ca 0.24 0.40 -0.01 0.00 -0.71 0.00 0.00 52.86 52.78 3dwk s ASN 485 Cb -0.08 -2.01 0.03 0.00 0.41 0.00 0.00 41.25 39.60 3dwk s ASN 485 CO -0.09 -0.13 -0.02 -0.31 -1.51 0.00 0.00 177.10 175.05 3dwk s TYR 486 N -2.02 0.83 0.28 2.20 1.51 -1.26 -5.02 117.35 113.87 3dwk s TYR 486 Ca 0.39 -0.28 -0.01 0.00 -1.01 0.00 0.00 57.07 56.16 3dwk s TYR 486 Cb -0.10 -0.86 0.45 0.00 -0.11 0.00 0.00 41.96 41.34 3dwk s TYR 486 CO 0.31 -0.34 1.89 1.49 -1.11 0.00 0.00 175.55 177.79 3dwk h GLU 487 N 8.14 1.09 0.00 -0.62 4.57 -1.99 -3.46 114.58 122.32 3dwk h GLU 487 Ca -0.24 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 57.88 3dwk h GLU 487 Cb 1.13 -0.25 0.00 0.00 -0.16 0.00 0.00 28.75 29.47 3dwk h GLU 487 CO 0.32 0.72 0.00 0.41 -1.18 0.00 0.00 179.01 179.28 3dwk n GLY 488 N -1.38 5.40 3.77 1.92 0.00 -1.26 -5.13 105.19 108.51 3dwk n GLY 488 Ca 0.15 -1.29 -0.37 0.00 0.00 0.00 0.00 46.02 44.50 3dwk n GLY 488 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dwk s ASP 489 N 1.00 6.23 -0.76 1.61 1.01 -1.26 -5.00 116.67 119.50 3dwk s ASP 489 Ca 0.00 2.29 -0.15 0.00 0.71 0.00 0.00 52.55 55.40 3dwk s ASP 489 Cb 0.00 -2.60 0.19 0.00 1.01 0.00 0.00 42.92 41.52 3dwk s ASP 489 CO 0.00 -0.87 0.73 -0.63 0.21 0.00 0.00 175.17 174.61 3dwk s ILE 490 N -1.55 5.44 0.95 0.77 1.01 -1.26 -5.00 121.20 121.56 3dwk s ILE 490 Ca 0.63 -2.14 -0.15 0.00 0.00 0.00 0.00 60.65 58.98 3dwk s ILE 490 Cb -0.28 -4.46 0.18 0.00 0.01 0.00 0.00 42.46 37.91 3dwk s ILE 490 CO 0.34 -1.03 1.29 -0.83 0.00 0.00 0.00 174.94 174.71 3dwk s GLY 491 N 2.63 1.74 0.65 6.18 0.00 -1.26 -4.92 107.32 112.34 3dwk s GLY 491 Ca 0.15 -1.09 0.42 0.00 0.00 0.00 0.00 44.72 44.20 3dwk s GLY 491 CO -0.06 -0.37 2.34 -0.56 0.00 0.00 0.00 173.10 174.46 3dwk h PRO 492 N -1.58 0.00 0.23 2.90 0.13 -1.97 -2.81 132.00 128.90 3dwk h PRO 492 Ca -0.45 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.67 3dwk h PRO 492 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3dwk h PRO 492 CO 0.43 0.00 -0.11 1.03 -0.23 0.00 0.00 178.00 179.12 3dwk h SER 493 N 0.00 -0.27 0.07 1.44 0.87 -1.93 -2.76 113.55 110.98 3dwk h SER 493 Ca -0.00 -0.26 -0.01 0.00 -1.23 0.00 0.00 61.79 60.29 3dwk h SER 493 Cb 0.02 0.07 -0.00 0.00 -0.44 0.00 0.00 62.40 62.05 3dwk h SER 493 CO 0.00 0.19 -0.04 1.05 -0.53 0.00 0.00 176.83 177.51 3dwk h GLU 494 N -0.81 0.00 -0.61 2.24 9.09 -1.64 0.56 114.58 123.41 3dwk h GLU 494 Ca -0.03 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.37 3dwk h GLU 494 Cb 0.51 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.58 3dwk h GLU 494 CO 0.05 0.04 0.35 0.28 0.05 0.00 0.00 179.01 179.78 3dwk h VAL 495 N 0.00 1.19 -0.31 -1.06 2.07 -1.45 -2.36 116.25 114.32 3dwk h VAL 495 Ca -0.00 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.06 3dwk h VAL 495 Cb 0.08 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 3dwk h VAL 495 CO 0.00 0.20 0.00 0.18 0.02 0.00 0.00 177.57 177.98 3dwk n LEU 496 N -4.58 2.05 0.00 2.57 4.77 -0.17 -4.42 117.00 117.21 3dwk n LEU 496 Ca 0.04 -1.03 0.00 0.00 -0.03 0.00 0.00 56.01 54.99 3dwk n LEU 496 Cb 0.07 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 3dwk n LEU 496 CO 0.37 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.47 3dwk n GLY 497 N 0.85 0.70 0.00 -0.72 0.00 -0.71 -3.94 105.19 101.36 3dwk n GLY 497 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3dwk n GLY 497 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwk n GLY 498 N -2.04 -0.64 7.00 -0.02 0.00 0.01 -2.67 105.19 106.83 3dwk n GLY 498 Ca 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.29 3dwk n GLY 498 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3dwk n SER 499 N -2.59 0.00 0.00 1.61 7.64 -1.26 -0.93 113.62 118.09 3dwk n SER 499 Ca 0.00 0.00 0.08 0.00 1.01 0.00 0.00 58.87 59.96 3dwk n SER 499 Cb 0.00 0.00 0.46 0.00 -1.01 0.00 0.00 64.21 63.66 3dwk n SER 499 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3dwk n ALA 500 N 8.92 2.01 -1.65 -0.43 0.00 -1.26 -4.30 120.51 123.79 3dwk n ALA 500 Ca 0.00 -0.09 -0.41 0.00 0.00 0.00 0.00 53.44 52.93 3dwk n ALA 500 Cb 0.00 -1.27 -0.01 0.00 0.00 0.00 0.00 19.45 18.17 3dwk n ALA 500 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3dwk n SER 501 N -1.16 4.81 -4.10 0.00 7.64 -0.11 -4.86 113.62 115.85 3dwk n SER 501 Ca 0.10 -2.79 -0.32 0.00 1.01 0.00 0.00 58.87 56.87 3dwk n SER 501 Cb 0.10 -1.64 -0.16 0.00 -1.01 0.00 0.00 64.21 61.50 3dwk n SER 501 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3dwk s GLU 502 N 2.98 2.79 0.08 1.43 2.02 -1.26 -2.24 118.70 124.51 3dwk s GLU 502 Ca 0.51 -0.75 -0.04 0.00 0.02 0.00 0.00 54.97 54.70 3dwk s GLU 502 Cb 0.15 -2.41 -0.02 0.00 0.10 0.00 0.00 34.13 31.94 3dwk s GLU 502 CO -0.08 -0.19 0.09 -0.06 0.02 0.00 0.00 175.26 175.04 3dwk s PHE 503 N 1.27 0.42 0.50 1.61 0.40 -0.95 -4.70 117.98 116.52 3dwk s PHE 503 Ca 0.03 -0.89 -0.14 0.00 -0.60 0.00 0.00 56.93 55.34 3dwk s PHE 503 Cb -0.13 -0.25 -0.07 0.00 0.51 0.00 0.00 43.02 43.08 3dwk s PHE 503 CO -0.11 -0.49 0.93 -1.54 0.70 0.00 0.00 175.22 174.72 3dwk s SER 504 N -2.92 6.52 0.41 1.36 1.04 -1.25 -1.91 113.70 116.94 3dwk s SER 504 Ca 0.09 1.41 0.18 0.00 0.48 0.00 0.00 55.95 58.11 3dwk s SER 504 Cb 0.06 -2.45 1.08 0.00 0.10 0.00 0.00 66.02 64.82 3dwk s SER 504 CO -0.08 -0.59 1.83 -0.65 0.98 0.00 0.00 173.24 174.73 3dwk h PRO 505 N 0.76 0.40 -0.66 4.02 0.11 -1.73 -1.13 132.00 133.77 3dwk h PRO 505 Ca -0.46 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 3dwk h PRO 505 Cb 1.19 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.18 3dwk h PRO 505 CO 0.62 0.27 0.17 1.15 -0.21 0.00 0.00 178.00 180.00 3dwk h THR 506 N 0.42 1.26 -0.37 -1.15 2.02 -1.76 0.68 112.91 113.99 3dwk h THR 506 Ca 0.51 -0.93 -0.04 0.00 0.77 0.00 0.00 66.41 66.73 3dwk h THR 506 Cb 1.26 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 3dwk h THR 506 CO -0.21 0.35 0.10 1.56 0.37 0.00 0.00 175.52 177.69 3dwk h GLN 507 N 0.98 0.59 -0.50 6.66 4.20 -1.54 -2.24 115.11 123.27 3dwk h GLN 507 Ca 0.21 -0.14 -0.08 0.00 0.06 0.00 0.00 58.65 58.70 3dwk h GLN 507 Cb 0.35 -0.08 -0.02 0.00 0.30 0.00 0.00 27.48 28.03 3dwk h GLN 507 CO -0.00 0.63 -0.01 -0.07 -0.67 0.00 0.00 178.83 178.70 3dwk h LEU 508 N 0.46 0.88 -0.80 1.46 3.38 -1.20 -1.70 115.31 117.78 3dwk h LEU 508 Ca 0.12 -0.31 0.11 0.00 0.09 0.00 0.00 57.88 57.88 3dwk h LEU 508 Cb 0.30 -0.24 -0.08 0.00 0.09 0.00 0.00 40.66 40.73 3dwk h LEU 508 CO 0.00 0.98 0.43 0.00 0.09 0.00 0.00 178.44 179.93 3dwk h ALA 509 N 0.93 1.15 -0.30 1.53 0.00 -0.78 0.18 119.26 121.98 3dwk h ALA 509 Ca 0.14 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3dwk h ALA 509 Cb 0.53 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3dwk h ALA 509 CO 0.03 0.00 0.11 0.77 0.00 0.00 0.00 179.25 180.16 3dwk h SER 510 N 0.69 0.41 -0.20 0.00 0.02 -1.06 0.42 113.55 113.83 3dwk h SER 510 Ca 0.40 -0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.18 3dwk h SER 510 Cb 0.45 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 3dwk h SER 510 CO -0.29 0.47 0.13 0.00 -1.14 0.00 0.00 176.83 176.01 3dwk h ALA 511 N 0.95 0.25 -0.23 3.77 0.00 -0.42 -3.00 119.26 120.59 3dwk h ALA 511 Ca 0.10 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.86 3dwk h ALA 511 Cb 0.20 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3dwk h ALA 511 CO -0.01 -0.27 -0.43 0.74 0.00 0.00 0.00 179.25 179.28 3dwk h PHE 512 N 0.27 0.69 -0.11 0.00 -1.00 -0.53 -2.25 116.94 114.00 3dwk h PHE 512 Ca 0.08 -0.21 0.03 0.00 2.81 0.00 0.00 57.97 60.68 3dwk h PHE 512 Cb -0.03 -0.14 -0.00 0.00 3.61 0.00 0.00 35.95 39.39 3dwk h PHE 512 CO -0.07 0.91 0.17 0.00 -1.61 0.00 0.00 178.31 177.72 3dwk h ALA 513 N 1.06 1.57 0.73 2.45 0.00 -0.78 -1.26 119.26 123.04 3dwk h ALA 513 Ca 0.03 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 3dwk h ALA 513 Cb 0.95 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.75 3dwk h ALA 513 CO 0.08 -0.23 -0.35 0.00 0.00 0.00 0.00 179.25 178.75 3dwk h ALA 514 N 1.76 -0.99 -0.92 0.00 0.00 -1.30 -1.98 119.26 115.84 3dwk h ALA 514 Ca 0.05 -0.23 0.26 0.00 0.00 0.00 0.00 54.91 54.99 3dwk h ALA 514 Cb 0.40 0.38 -0.14 0.00 0.00 0.00 0.00 17.79 18.43 3dwk h ALA 514 CO -0.00 -0.98 0.38 0.82 0.00 0.00 0.00 179.25 179.47 3dwk h ILE 515 N -1.14 0.35 0.00 0.00 2.04 -1.35 -0.13 117.51 117.28 3dwk h ILE 515 Ca -0.10 -0.10 0.00 0.00 1.00 0.00 0.00 64.86 65.66 3dwk h ILE 515 Cb 0.78 0.03 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 3dwk h ILE 515 CO 0.17 0.05 0.00 0.00 0.00 0.00 0.00 178.15 178.37 3dwk n ALA 516 N -2.53 1.91 -2.34 1.87 0.00 -0.61 -3.73 120.51 115.07 3dwk n ALA 516 Ca 0.25 -0.08 0.01 0.00 0.00 0.00 0.00 53.44 53.62 3dwk n ALA 516 Cb 0.76 -1.25 0.00 0.00 0.00 0.00 0.00 19.45 18.97 3dwk n ALA 516 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3dwk n ASN 517 N -1.21 0.49 0.00 0.00 0.23 -0.43 -4.60 115.26 109.74 3dwk n ASN 517 Ca 0.08 -1.97 0.00 0.00 -0.53 0.00 0.00 54.58 52.16 3dwk n ASN 517 Cb 0.10 -0.17 0.00 0.00 -2.08 0.00 0.00 39.78 37.63 3dwk n ASN 517 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3dwk n GLY 518 N 0.34 0.70 0.47 4.83 0.00 -1.19 -4.25 105.19 106.08 3dwk n GLY 518 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3dwk n GLY 518 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dwk n GLY 519 N -2.07 0.86 3.69 -0.02 0.00 -0.19 -4.01 105.19 103.45 3dwk n GLY 519 Ca 0.00 -0.17 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 3dwk n GLY 519 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3dwk s THR 520 N -2.00 5.21 0.10 2.61 -1.32 -1.25 -0.79 115.64 118.20 3dwk s THR 520 Ca 0.00 0.74 -0.20 0.00 -1.21 0.00 0.00 61.69 61.02 3dwk s THR 520 Cb 0.00 -3.74 -0.07 0.00 -1.51 0.00 0.00 72.50 67.18 3dwk s THR 520 CO 0.00 0.28 0.61 -0.47 -2.21 0.00 0.00 174.62 172.83 3dwk s TYR 521 N 1.10 3.81 -0.21 9.09 6.14 -0.34 -4.21 117.35 132.73 3dwk s TYR 521 Ca 0.20 1.33 -0.04 0.00 0.64 0.00 0.00 57.07 59.21 3dwk s TYR 521 Cb -0.15 -2.54 0.07 0.00 0.42 0.00 0.00 41.96 39.76 3dwk s TYR 521 CO 0.08 0.56 0.09 -0.80 0.64 0.00 0.00 175.55 176.11 3dwk s ASN 522 N -1.16 2.82 0.14 4.32 0.01 -1.26 -2.12 114.94 117.69 3dwk s ASN 522 Ca 0.31 -0.86 -0.34 0.00 -0.71 0.00 0.00 52.86 51.26 3dwk s ASN 522 Cb -0.20 -0.38 -0.14 0.00 0.41 0.00 0.00 41.25 40.94 3dwk s ASN 522 CO 0.20 -0.36 1.58 -3.20 -1.51 0.00 0.00 177.10 173.81 3dwk n ASN 523 N 5.19 2.99 -4.69 -1.22 5.15 -0.54 -4.75 115.26 117.39 3dwk n ASN 523 Ca -0.07 1.08 -0.44 0.00 -0.60 0.00 0.00 54.58 54.55 3dwk n ASN 523 Cb 0.47 -1.40 -0.03 0.00 -0.53 0.00 0.00 39.78 38.29 3dwk n ASN 523 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3dwk n ALA 524 N 3.56 1.61 -3.70 5.20 0.00 -1.26 -4.60 120.51 121.32 3dwk n ALA 524 Ca 0.17 0.41 -0.13 0.00 0.00 0.00 0.00 53.44 53.89 3dwk n ALA 524 Cb 0.28 -2.35 -0.13 0.00 0.00 0.00 0.00 19.45 17.25 3dwk n ALA 524 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3dwk s HIS 525 N 0.21 -0.34 -0.13 0.00 -3.43 -1.15 -4.95 115.29 105.50 3dwk s HIS 525 Ca 0.70 0.81 0.09 0.00 -0.80 0.00 0.00 55.06 55.86 3dwk s HIS 525 Cb -0.61 -0.01 -0.23 0.00 -1.43 0.00 0.00 32.58 30.30 3dwk s HIS 525 CO 0.46 -0.27 0.33 -1.13 -2.00 0.00 0.00 174.74 172.13 3dwk n SER 526 N 4.65 0.97 -4.73 7.38 3.41 -1.26 -1.68 113.62 122.36 3dwk n SER 526 Ca -0.18 0.19 -0.38 0.00 -0.26 0.00 0.00 58.87 58.24 3dwk n SER 526 Cb 0.52 0.06 -0.06 0.00 -0.26 0.00 0.00 64.21 64.47 3dwk n SER 526 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3dwk s ILE 527 N -2.55 5.15 -0.15 -1.33 1.01 -1.26 -1.23 121.20 120.83 3dwk s ILE 527 Ca -0.13 0.97 -0.19 0.00 0.00 0.00 0.00 60.65 61.31 3dwk s ILE 527 Cb 0.07 -3.82 -0.16 0.00 0.01 0.00 0.00 42.46 38.56 3dwk s ILE 527 CO 0.79 0.35 0.32 1.56 0.00 0.00 0.00 174.94 177.97 3dwk h GLN 528 N 6.47 0.00 -2.06 2.79 4.20 -0.15 -3.45 115.11 122.91 3dwk h GLN 528 Ca -0.42 0.00 0.07 0.00 0.06 0.00 0.00 58.65 58.36 3dwk h GLN 528 Cb 1.18 0.00 -0.18 0.00 0.30 0.00 0.00 27.48 28.78 3dwk h GLN 528 CO 0.74 0.68 0.45 -1.59 -0.67 0.00 0.00 178.83 178.43 3dwk s LYS 529 N -2.15 0.81 0.02 1.46 -2.85 -1.18 -2.59 119.74 113.26 3dwk s LYS 529 Ca -0.18 -0.09 0.07 0.00 -1.00 0.00 0.00 55.97 54.76 3dwk s LYS 529 Cb 0.01 0.38 -0.03 0.00 -2.06 0.00 0.00 37.83 36.13 3dwk s LYS 529 CO 0.47 -0.31 -0.18 0.14 0.10 0.00 0.00 175.35 175.56 3dwk s VAL 530 N -2.25 2.77 -0.24 1.79 -7.23 -0.89 -1.51 120.40 112.85 3dwk s VAL 530 Ca 0.00 -1.10 -0.02 0.00 -1.81 0.00 0.00 61.98 59.06 3dwk s VAL 530 Cb -0.01 -2.14 0.02 0.00 0.56 0.00 0.00 36.38 34.81 3dwk s VAL 530 CO -0.03 0.40 -0.07 -0.69 -0.31 0.00 0.00 175.10 174.40 3dwk s VAL 531 N -0.86 2.92 0.84 1.32 1.01 0.41 -1.51 120.40 124.54 3dwk s VAL 531 Ca 0.14 -0.89 -0.11 0.00 0.00 0.00 0.00 61.98 61.12 3dwk s VAL 531 Cb -0.10 -2.43 0.09 0.00 0.00 0.00 0.00 36.38 33.94 3dwk s VAL 531 CO 0.04 0.28 1.09 0.42 0.00 0.00 0.00 175.10 176.94 3dwk s THR 532 N 1.36 2.94 0.30 3.92 -4.23 -0.53 -0.89 115.64 118.51 3dwk s THR 532 Ca 0.02 0.30 0.05 0.00 -1.18 0.00 0.00 61.69 60.89 3dwk s THR 532 Cb -0.16 -2.91 0.29 0.00 1.34 0.00 0.00 72.50 71.06 3dwk s THR 532 CO -0.05 -0.40 1.70 -0.09 -0.54 0.00 0.00 174.62 175.24 3dwk h ARG 533 N -1.28 0.42 0.51 3.99 2.43 -1.77 -2.75 114.38 115.93 3dwk h ARG 533 Ca -0.48 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 58.64 3dwk h ARG 533 Cb 1.27 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 3dwk h ARG 533 CO 0.56 0.28 -0.24 0.38 -1.51 0.00 0.00 179.97 179.44 3dwk h ASP 534 N 0.43 -0.57 0.00 -3.80 3.04 -1.91 -3.48 116.42 110.13 3dwk h ASP 534 Ca 0.58 -0.03 0.00 0.00 -3.24 0.00 0.00 57.03 54.34 3dwk h ASP 534 Cb 1.11 0.15 0.00 0.00 -1.04 0.00 0.00 39.33 39.55 3dwk h ASP 534 CO -0.52 -0.17 0.00 0.61 -2.04 0.00 0.00 179.24 177.12 3dwk n GLY 535 N -0.14 0.00 3.79 7.15 0.00 -1.03 -5.16 105.19 109.80 3dwk n GLY 535 Ca -0.09 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 3dwk n GLY 535 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3dwk s GLU 536 N 0.00 4.16 -0.34 1.61 2.12 -1.26 -4.83 118.70 120.16 3dwk s GLU 536 Ca 0.00 1.43 0.02 0.00 0.36 0.00 0.00 54.97 56.78 3dwk s GLU 536 Cb 0.00 -2.46 0.09 0.00 0.26 0.00 0.00 34.13 32.02 3dwk s GLU 536 CO 0.00 -0.13 0.06 0.99 -0.54 0.00 0.00 175.26 175.64 3dwk s THR 537 N -1.76 2.59 -0.13 -1.70 2.01 -1.26 -1.45 115.64 113.94 3dwk s THR 537 Ca 0.59 -2.08 -0.28 0.00 0.31 0.00 0.00 61.69 60.23 3dwk s THR 537 Cb -0.19 -2.78 -0.01 0.00 0.01 0.00 0.00 72.50 69.52 3dwk s THR 537 CO 0.24 -0.50 0.94 -0.63 -0.69 0.00 0.00 174.62 173.98 3dwk s ILE 538 N 1.02 4.82 -0.18 1.82 1.09 -0.57 -4.97 121.20 124.24 3dwk s ILE 538 Ca 0.06 1.88 -0.17 0.00 -1.10 0.00 0.00 60.65 61.32 3dwk s ILE 538 Cb -0.20 -4.24 -0.04 0.00 -1.06 0.00 0.00 42.46 36.92 3dwk s ILE 538 CO -0.06 0.01 0.45 -1.61 -0.10 0.00 0.00 174.94 173.63 3dwk s GLU 539 N 2.08 4.23 0.10 2.79 0.41 -1.26 -2.09 118.70 124.95 3dwk s GLU 539 Ca 0.44 0.33 -0.10 0.00 -0.41 0.00 0.00 54.97 55.23 3dwk s GLU 539 Cb -0.17 -3.51 -0.06 0.00 -1.78 0.00 0.00 34.13 28.60 3dwk s GLU 539 CO 0.15 -0.01 0.42 0.71 -0.49 0.00 0.00 175.26 176.05 3dwk s TYR 540 N 1.19 3.57 0.20 1.61 1.51 -1.07 -5.02 117.35 119.35 3dwk s TYR 540 Ca 0.22 0.81 0.02 0.00 -1.01 0.00 0.00 57.07 57.11 3dwk s TYR 540 Cb -0.15 -2.18 -0.05 0.00 -0.11 0.00 0.00 41.96 39.48 3dwk s TYR 540 CO 0.09 0.49 0.02 0.16 -1.11 0.00 0.00 175.55 175.20 3dwk s ASP 541 N -1.82 1.33 0.35 2.29 3.84 -1.26 -4.84 116.67 116.56 3dwk s ASP 541 Ca 0.35 -1.23 0.06 0.00 -0.00 0.00 0.00 52.55 51.72 3dwk s ASP 541 Cb -0.14 0.11 -0.07 0.00 -1.38 0.00 0.00 42.92 41.44 3dwk s ASP 541 CO 0.19 -0.59 0.02 -1.38 -0.00 0.00 0.00 175.17 173.40 3dwk s HIS 542 N -3.63 2.20 0.21 2.11 -3.43 -1.26 -5.11 115.29 106.37 3dwk s HIS 542 Ca 0.28 -0.79 -0.30 0.00 -0.80 0.00 0.00 55.06 53.45 3dwk s HIS 542 Cb 0.06 -1.46 -0.08 0.00 -1.43 0.00 0.00 32.58 29.67 3dwk s HIS 542 CO 0.07 0.24 1.09 0.99 -2.00 0.00 0.00 174.74 175.14 3dwk s THR 543 N -3.00 3.78 -0.01 -5.38 2.01 -1.26 -4.95 115.64 106.82 3dwk s THR 543 Ca 0.35 1.60 -0.12 0.00 0.31 0.00 0.00 61.69 63.83 3dwk s THR 543 Cb 0.08 -4.02 0.02 0.00 0.01 0.00 0.00 72.50 68.59 3dwk s THR 543 CO 0.16 0.31 0.26 -0.55 -0.69 0.00 0.00 174.62 174.10 3dwk s SER 544 N -0.35 -0.12 0.00 3.53 0.15 -1.26 -1.47 113.70 114.18 3dwk s SER 544 Ca 0.48 -0.02 0.00 0.00 0.70 0.00 0.00 55.95 57.11 3dwk s SER 544 Cb -0.30 0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.29 3dwk s SER 544 CO 0.36 -0.43 0.00 0.00 1.20 0.00 0.00 173.24 174.37 3dwk n HIS 545 N 1.30 0.00 -1.67 3.44 1.44 -0.90 -5.00 115.22 113.83 3dwk n HIS 545 Ca -0.22 0.00 -0.48 0.00 -2.01 0.00 0.00 57.72 55.01 3dwk n HIS 545 Cb 0.56 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.62 3dwk n HIS 545 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 3dwk n LYS 546 N -0.48 1.95 -0.09 -1.40 5.02 -1.26 -1.20 118.16 120.70 3dwk n LYS 546 Ca 0.00 0.71 -0.10 0.00 -2.02 0.00 0.00 58.31 56.89 3dwk n LYS 546 Cb 0.00 -2.48 -0.13 0.00 -0.02 0.00 0.00 35.03 32.40 3dwk n LYS 546 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dwk n ALA 547 N 4.45 1.56 -3.06 7.82 0.00 0.03 -4.83 120.51 126.48 3dwk n ALA 547 Ca 0.20 -1.10 -0.12 0.00 0.00 0.00 0.00 53.44 52.42 3dwk n ALA 547 Cb 0.26 -0.09 -0.06 0.00 0.00 0.00 0.00 19.45 19.56 3dwk n ALA 547 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dwk s MET 548 N -2.43 0.96 0.61 0.00 0.00 -0.70 -4.92 119.30 112.83 3dwk s MET 548 Ca -0.14 -0.53 -0.17 0.00 0.00 0.00 0.00 55.69 54.85 3dwk s MET 548 Cb 0.06 0.43 -0.02 0.00 0.00 0.00 0.00 34.83 35.29 3dwk s MET 548 CO 0.66 -0.35 1.11 -1.54 0.00 0.00 0.00 175.02 174.90 3dwk s SER 549 N -2.35 5.39 0.31 -1.18 1.04 -1.26 -4.46 113.70 111.19 3dwk s SER 549 Ca -0.02 2.03 0.07 0.00 0.48 0.00 0.00 55.95 58.52 3dwk s SER 549 Cb 0.00 -2.56 0.81 0.00 0.10 0.00 0.00 66.02 64.38 3dwk s SER 549 CO -0.06 -1.44 1.73 -2.24 0.98 0.00 0.00 173.24 172.21 3dwk h ASP 550 N 0.46 0.62 -0.30 7.02 2.03 -1.95 -1.75 116.42 122.55 3dwk h ASP 550 Ca -0.48 0.13 -0.07 0.00 -0.73 0.00 0.00 57.03 55.89 3dwk h ASP 550 Cb 1.25 0.04 -0.01 0.00 -0.83 0.00 0.00 39.33 39.78 3dwk h ASP 550 CO 0.55 0.11 -0.07 0.10 -1.03 0.00 0.00 179.24 178.91 3dwk h TYR 551 N 0.58 0.64 -0.15 4.15 -0.00 -1.91 -1.79 116.97 118.49 3dwk h TYR 551 Ca 0.61 -0.14 0.04 0.00 -0.00 0.00 0.00 58.73 59.24 3dwk h TYR 551 Cb 1.11 -0.16 -0.05 0.00 -0.00 0.00 0.00 36.73 37.64 3dwk h TYR 551 CO -0.04 0.76 -0.16 1.15 -0.00 0.00 0.00 178.16 179.88 3dwk h THR 552 N 0.34 0.58 -0.61 -0.90 2.02 -1.66 0.12 112.91 112.79 3dwk h THR 552 Ca 0.08 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.29 3dwk h THR 552 Cb 0.55 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 67.50 3dwk h THR 552 CO 0.03 0.00 0.36 0.00 0.37 0.00 0.00 175.52 176.28 3dwk h ALA 553 N 0.88 0.80 -0.49 6.16 0.00 -1.40 -0.33 119.26 124.89 3dwk h ALA 553 Ca 0.10 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3dwk h ALA 553 Cb 0.33 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3dwk h ALA 553 CO -0.26 0.07 -0.14 -0.92 0.00 0.00 0.00 179.25 178.01 3dwk h TYR 554 N 0.69 1.07 -0.46 0.00 5.03 -0.91 -0.09 116.97 122.31 3dwk h TYR 554 Ca 0.26 -0.24 -0.11 0.00 2.58 0.00 0.00 58.73 61.22 3dwk h TYR 554 Cb 0.08 -0.26 -0.02 0.00 1.55 0.00 0.00 36.73 38.08 3dwk h TYR 554 CO -0.07 1.04 -0.16 0.52 -1.32 0.00 0.00 178.16 178.17 3dwk h MET 555 N 0.80 0.88 0.05 1.82 2.86 -0.48 0.20 114.93 121.06 3dwk h MET 555 Ca 0.12 -0.33 -0.00 0.00 -2.06 0.00 0.00 59.70 57.43 3dwk h MET 555 Cb 0.70 -0.05 0.00 0.00 0.06 0.00 0.00 31.60 32.31 3dwk h MET 555 CO 0.05 0.97 -0.02 -0.07 1.06 0.00 0.00 176.91 178.90 3dwk h LEU 556 N 0.78 -0.06 -1.25 1.22 4.07 -0.97 0.64 115.31 119.74 3dwk h LEU 556 Ca 0.12 -0.26 0.18 0.00 0.08 0.00 0.00 57.88 58.00 3dwk h LEU 556 Cb 0.69 0.01 -0.08 0.00 1.08 0.00 0.00 40.66 42.36 3dwk h LEU 556 CO 0.05 0.23 0.61 0.00 -1.08 0.00 0.00 178.44 178.24 3dwk h ALA 557 N 0.58 1.90 0.05 1.53 0.00 -0.80 -0.06 119.26 122.45 3dwk h ALA 557 Ca -0.01 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 3dwk h ALA 557 Cb 0.31 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.04 3dwk h ALA 557 CO 0.01 -0.21 -0.66 0.93 0.00 0.00 0.00 179.25 179.33 3dwk h GLU 558 N 0.63 0.36 -0.57 0.00 4.39 -0.37 -3.07 114.58 115.95 3dwk h GLU 558 Ca 0.51 -0.45 0.03 0.00 0.34 0.00 0.00 59.36 59.79 3dwk h GLU 558 Cb 0.95 0.15 -0.04 0.00 -0.10 0.00 0.00 28.75 29.71 3dwk h GLU 558 CO -0.27 1.15 0.34 0.52 -1.16 0.00 0.00 179.01 179.59 3dwk h MET 559 N -0.23 0.65 0.00 2.33 2.86 -0.33 -2.51 114.93 117.70 3dwk h MET 559 Ca -0.10 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 57.50 3dwk h MET 559 Cb 1.42 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.93 3dwk h MET 559 CO 0.13 0.43 0.00 -0.07 1.06 0.00 0.00 176.91 178.46 3dwk h LEU 560 N 0.67 0.00 -1.77 1.22 3.38 -1.12 0.17 115.31 117.87 3dwk h LEU 560 Ca 0.23 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 3dwk h LEU 560 Cb 0.03 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 3dwk h LEU 560 CO -0.10 0.00 -0.16 0.11 0.09 0.00 0.00 178.44 178.38 3dwk h LYS 561 N 0.00 0.00 0.00 1.13 1.57 -1.34 -0.65 116.57 117.28 3dwk h LYS 561 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3dwk h LYS 561 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 3dwk h LYS 561 CO 0.00 0.16 0.00 0.41 -0.57 0.00 0.00 179.45 179.45 3dwk n GLY 562 N -0.91 -0.88 0.16 3.86 0.00 0.60 -2.36 105.19 105.66 3dwk n GLY 562 Ca -0.02 -0.09 -0.05 0.00 0.00 0.00 0.00 46.02 45.86 3dwk n GLY 562 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3dwk h THR 563 N 0.00 1.40 -0.01 2.61 2.02 -1.60 -3.03 112.91 114.30 3dwk h THR 563 Ca 0.00 -2.03 0.00 0.00 0.77 0.00 0.00 66.41 65.15 3dwk h THR 563 Cb 0.17 2.04 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 3dwk h THR 563 CO 0.00 0.60 -0.16 0.49 0.37 0.00 0.00 175.52 176.82 3dwk n PHE 564 N -3.85 0.00 -3.13 3.16 0.99 -0.99 -1.91 117.46 111.73 3dwk n PHE 564 Ca -0.02 0.00 -0.29 0.00 -0.00 0.00 0.00 57.45 57.13 3dwk n PHE 564 Cb 0.63 -0.11 -0.03 0.00 -1.00 0.00 0.00 39.48 38.96 3dwk n PHE 564 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 3dwk s LYS 565 N -2.38 3.70 0.20 -1.08 1.02 -1.15 -3.80 119.74 116.25 3dwk s LYS 565 Ca 0.29 0.21 -0.30 0.00 0.02 0.00 0.00 55.97 56.19 3dwk s LYS 565 Cb 0.20 -2.53 -0.16 0.00 -0.52 0.00 0.00 37.83 34.81 3dwk s LYS 565 CO 0.47 0.11 0.80 -2.30 -0.92 0.00 0.00 175.35 173.50 3dwk n PRO 566 N -1.08 0.54 -0.01 -1.68 -0.02 -1.26 0.01 135.00 131.49 3dwk n PRO 566 Ca 0.00 0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.67 3dwk n PRO 566 Cb 0.54 -1.41 0.00 0.00 -0.02 0.00 0.00 33.50 32.61 3dwk n PRO 566 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3dwk n TYR 567 N 0.42 0.00 -2.49 6.00 4.02 -1.26 -5.00 117.16 118.85 3dwk n TYR 567 Ca 0.15 0.00 -0.38 0.00 -0.01 0.00 0.00 57.90 57.66 3dwk n TYR 567 Cb 0.25 -0.12 -0.04 0.00 -0.02 0.00 0.00 39.34 39.42 3dwk n TYR 567 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3dwk s GLY 568 N -2.00 2.88 0.00 2.72 0.00 0.10 -4.69 107.32 106.33 3dwk s GLY 568 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 44.72 45.52 3dwk s GLY 568 CO 0.00 1.31 0.94 -1.14 0.00 0.00 0.00 173.10 174.20 3dwk n SER 569 N 0.43 0.00 -1.57 1.64 3.41 0.04 -0.25 113.62 117.32 3dwk n SER 569 Ca 0.03 0.44 0.02 0.00 -0.26 0.00 0.00 58.87 59.09 3dwk n SER 569 Cb 0.47 -0.44 0.07 0.00 -0.26 0.00 0.00 64.21 64.06 3dwk n SER 569 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dwk n ALA 570 N -1.44 2.91 -1.68 7.33 0.00 -0.80 -4.97 120.51 121.85 3dwk n ALA 570 Ca 0.00 -2.75 -0.43 0.00 0.00 0.00 0.00 53.44 50.26 3dwk n ALA 570 Cb 0.06 -0.64 -0.03 0.00 0.00 0.00 0.00 19.45 18.84 3dwk n ALA 570 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3dwk n TYR 571 N -0.16 2.56 0.00 0.00 -0.00 0.66 -2.20 117.16 118.02 3dwk n TYR 571 Ca 0.12 -0.17 0.00 0.00 -0.00 0.00 0.00 57.90 57.85 3dwk n TYR 571 Cb 0.97 -2.74 0.00 0.00 -0.00 0.00 0.00 39.34 37.57 3dwk n TYR 571 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 3dwk n GLY 572 N 4.29 0.18 0.74 2.98 0.00 -1.25 -4.91 105.19 107.22 3dwk n GLY 572 Ca 0.19 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.29 3dwk n GLY 572 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3dwk n HIS 573 N -1.81 0.17 -1.59 1.61 8.25 -0.94 -4.97 115.22 115.94 3dwk n HIS 573 Ca 0.00 -0.13 -0.31 0.00 -0.26 0.00 0.00 57.72 57.03 3dwk n HIS 573 Cb 0.00 -0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.16 3dwk n HIS 573 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3dwk s GLY 574 N -1.29 1.66 0.24 -1.41 0.00 -1.26 -4.29 107.32 100.98 3dwk s GLY 574 Ca 0.23 0.02 -0.07 0.00 0.00 0.00 0.00 44.72 44.90 3dwk s GLY 574 CO 0.21 0.34 0.53 0.14 0.00 0.00 0.00 173.10 174.33 3dwk s VAL 575 N -3.08 5.00 0.00 1.40 1.01 -1.26 -5.05 120.40 118.42 3dwk s VAL 575 Ca 0.58 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.82 3dwk s VAL 575 Cb -0.14 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.58 3dwk s VAL 575 CO 0.55 -0.16 0.50 -0.24 0.00 0.00 0.00 175.10 175.75 3dwk n SER 576 N -0.42 0.00 0.00 3.32 2.88 -1.26 -3.63 113.62 114.51 3dwk n SER 576 Ca -0.01 0.56 0.08 0.00 -1.33 0.00 0.00 58.87 58.18 3dwk n SER 576 Cb 0.53 -0.22 0.50 0.00 -0.75 0.00 0.00 64.21 64.27 3dwk n SER 576 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3dwk n GLY 577 N 0.21 -0.83 3.72 0.46 0.00 -1.26 -4.82 105.19 102.68 3dwk n GLY 577 Ca 0.00 -0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 3dwk n GLY 577 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dwk s VAL 578 N -2.00 5.07 -0.49 1.61 1.01 -1.24 -4.52 120.40 119.84 3dwk s VAL 578 Ca 0.25 0.06 -0.26 0.00 0.00 0.00 0.00 61.98 62.03 3dwk s VAL 578 Cb 0.12 -3.26 0.03 0.00 0.00 0.00 0.00 36.38 33.27 3dwk s VAL 578 CO 0.19 0.51 1.00 0.20 0.00 0.00 0.00 175.10 177.00 3dwk s ASN 579 N -0.09 6.49 -0.04 3.32 0.01 -1.26 -4.74 114.94 118.63 3dwk s ASN 579 Ca 0.08 0.10 -0.08 0.00 -0.71 0.00 0.00 52.86 52.25 3dwk s ASN 579 Cb -0.12 -2.48 0.01 0.00 0.41 0.00 0.00 41.25 39.08 3dwk s ASN 579 CO 0.01 -1.17 0.18 0.00 -1.51 0.00 0.00 177.10 174.61 3dwk s MET 580 N 4.05 0.38 0.27 -0.60 0.23 -1.26 -4.15 119.30 118.22 3dwk s MET 580 Ca 0.39 -0.06 0.12 0.00 -1.03 0.00 0.00 55.69 55.10 3dwk s MET 580 Cb -0.10 0.17 -0.05 0.00 -1.53 0.00 0.00 34.83 33.32 3dwk s MET 580 CO 0.26 -0.08 -0.17 0.20 -2.03 0.00 0.00 175.02 173.20 3dwk s GLY 581 N -0.66 1.84 0.16 3.16 0.00 -0.90 -4.47 107.32 106.45 3dwk s GLY 581 Ca -0.08 -1.83 -0.19 0.00 0.00 0.00 0.00 44.72 42.63 3dwk s GLY 581 CO 0.01 -1.91 0.50 0.00 0.00 0.00 0.00 173.10 171.71 3dwk s ALA 582 N -2.43 -1.14 -0.04 3.20 0.00 -0.28 -1.06 121.76 120.00 3dwk s ALA 582 Ca 0.30 0.05 -0.01 0.00 0.00 0.00 0.00 51.96 52.30 3dwk s ALA 582 Cb -0.05 0.80 0.03 0.00 0.00 0.00 0.00 23.12 23.90 3dwk s ALA 582 CO 0.16 -0.74 0.04 0.21 0.00 0.00 0.00 175.76 175.43 3dwk s LYS 583 N -3.81 0.01 0.32 0.00 2.36 0.56 -4.65 119.74 114.53 3dwk s LYS 583 Ca 0.04 0.29 -0.02 0.00 -2.55 0.00 0.00 55.97 53.74 3dwk s LYS 583 Cb -0.00 -0.49 -0.04 0.00 -1.05 0.00 0.00 37.83 36.25 3dwk s LYS 583 CO -0.09 -0.28 0.55 0.95 1.55 0.00 0.00 175.35 178.04 3dwk s THR 584 N 1.83 5.07 -0.03 3.43 -4.23 -1.26 -1.28 115.64 119.16 3dwk s THR 584 Ca 0.01 -0.18 0.03 0.00 -1.18 0.00 0.00 61.69 60.36 3dwk s THR 584 Cb -0.12 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 69.92 3dwk s THR 584 CO -0.03 -0.45 -0.12 -0.83 -0.54 0.00 0.00 174.62 172.65 3dwk s GLY 585 N -3.59 0.66 -0.10 3.99 0.00 0.08 -3.81 107.32 104.56 3dwk s GLY 585 Ca 0.42 -0.44 -0.01 0.00 0.00 0.00 0.00 44.72 44.69 3dwk s GLY 585 CO 0.34 -0.15 -0.05 -1.59 0.00 0.00 0.00 173.10 171.64 3dwk s THR 586 N 0.17 0.80 -0.24 0.90 2.01 -1.26 0.77 115.64 118.79 3dwk s THR 586 Ca -0.04 -0.15 -0.00 0.00 0.31 0.00 0.00 61.69 61.81 3dwk s THR 586 Cb -0.10 -0.86 0.03 0.00 0.01 0.00 0.00 72.50 71.59 3dwk s THR 586 CO 0.01 0.33 -0.09 -0.83 -0.69 0.00 0.00 174.62 173.35 3dwk s GLY 587 N 1.74 1.60 1.06 4.40 0.00 0.20 -3.63 107.32 112.69 3dwk s GLY 587 Ca 0.04 -1.49 -0.18 0.00 0.00 0.00 0.00 44.72 43.09 3dwk s GLY 587 CO -0.07 0.51 1.26 -0.51 0.00 0.00 0.00 173.10 174.29 3dwk s THR 588 N 1.27 1.86 0.39 0.90 -4.23 -1.26 -0.90 115.64 113.67 3dwk s THR 588 Ca -0.01 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.51 3dwk s THR 588 Cb -0.17 -2.83 -0.02 0.00 1.34 0.00 0.00 72.50 70.82 3dwk s THR 588 CO -0.06 0.00 0.60 -0.31 -0.54 0.00 0.00 174.62 174.31 3dwk s TYR 589 N -3.63 3.36 0.57 3.99 2.02 -1.26 -4.59 117.35 117.81 3dwk s TYR 589 Ca 0.74 0.27 -0.20 0.00 -0.37 0.00 0.00 57.07 57.51 3dwk s TYR 589 Cb -0.05 -2.09 -0.05 0.00 -0.40 0.00 0.00 41.96 39.37 3dwk s TYR 589 CO 0.54 -0.10 1.18 0.41 -1.57 0.00 0.00 175.55 176.01 3dwk n GLY 590 N -1.91 0.26 0.25 0.71 0.00 -1.26 -4.88 105.19 98.36 3dwk n GLY 590 Ca -0.02 -0.05 0.11 0.00 0.00 0.00 0.00 46.02 46.07 3dwk n GLY 590 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dwk h ALA 591 N 0.98 1.26 -0.05 4.61 0.00 -2.01 -2.21 119.26 121.83 3dwk h ALA 591 Ca -0.49 -0.14 -0.25 0.00 0.00 0.00 0.00 54.91 54.02 3dwk h ALA 591 Cb 1.33 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 19.12 3dwk h ALA 591 CO 0.54 0.19 -0.96 1.05 0.00 0.00 0.00 179.25 180.08 3dwk h GLU 592 N 0.00 0.73 0.00 0.00 9.09 -2.02 -3.27 114.58 119.11 3dwk h GLU 592 Ca -0.00 -0.72 0.00 0.00 0.05 0.00 0.00 59.36 58.69 3dwk h GLU 592 Cb 0.42 0.19 0.00 0.00 -1.65 0.00 0.00 28.75 27.71 3dwk h GLU 592 CO 0.02 1.30 0.00 1.15 0.05 0.00 0.00 179.01 181.53 3dwk h THR 593 N 0.45 0.00 -0.42 -1.06 2.02 -1.77 -1.83 112.91 110.29 3dwk h THR 593 Ca -0.10 -0.42 -0.01 0.00 0.77 0.00 0.00 66.41 66.64 3dwk h THR 593 Cb 1.60 1.40 -0.02 0.00 -1.74 0.00 0.00 68.15 69.39 3dwk h THR 593 CO 0.19 0.00 0.22 1.88 0.37 0.00 0.00 175.52 178.18 3dwk h TYR 594 N 0.00 0.57 0.04 3.16 -1.99 -1.54 -2.96 116.97 114.24 3dwk h TYR 594 Ca 0.00 -0.01 -0.21 0.00 2.00 0.00 0.00 58.73 60.51 3dwk h TYR 594 Cb 0.43 -0.18 -0.02 0.00 2.00 0.00 0.00 36.73 38.96 3dwk h TYR 594 CO 0.00 0.41 -1.15 0.77 -0.00 0.00 0.00 178.16 178.20 3dwk h SER 595 N 0.59 0.12 -1.08 3.88 0.02 -1.52 0.58 113.55 116.15 3dwk h SER 595 Ca 0.15 -0.70 0.29 0.00 -0.84 0.00 0.00 61.79 60.69 3dwk h SER 595 Cb 0.04 -0.04 -0.08 0.00 0.14 0.00 0.00 62.40 62.47 3dwk h SER 595 CO -0.02 1.47 0.72 -0.61 -1.14 0.00 0.00 176.83 177.25 3dwk h GLN 596 N -0.76 0.23 -0.16 3.45 4.15 -1.48 -1.25 115.11 119.29 3dwk h GLN 596 Ca -0.29 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.12 3dwk h GLN 596 Cb 1.41 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 29.05 3dwk h GLN 596 CO -0.09 0.16 0.00 0.66 -1.93 0.00 0.00 178.83 177.62 3dwk n TYR 597 N -4.47 0.21 -3.89 3.99 4.02 -1.12 -5.01 117.16 110.90 3dwk n TYR 597 Ca 0.25 -0.50 -0.27 0.00 -0.01 0.00 0.00 57.90 57.37 3dwk n TYR 597 Cb 1.00 -0.04 -0.00 0.00 -0.02 0.00 0.00 39.34 40.28 3dwk n TYR 597 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3dwk n ASN 598 N -0.04 -1.42 -4.76 7.72 3.02 -0.47 -0.41 115.26 118.90 3dwk n ASN 598 Ca 0.05 -1.00 -0.40 0.00 -0.03 0.00 0.00 54.58 53.20 3dwk n ASN 598 Cb 0.33 -3.15 -0.05 0.00 -0.61 0.00 0.00 39.78 36.30 3dwk n ASN 598 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3dwk s LEU 599 N -6.86 4.54 1.03 3.41 1.43 0.17 -3.44 118.68 118.96 3dwk s LEU 599 Ca 0.11 1.62 -0.11 0.00 -1.03 0.00 0.00 54.13 54.71 3dwk s LEU 599 Cb -0.04 -3.33 0.21 0.00 0.03 0.00 0.00 46.19 43.06 3dwk s LEU 599 CO 0.88 0.11 1.09 -2.16 0.23 0.00 0.00 176.35 176.50 3dwk s PRO 600 N -0.66 0.12 0.24 1.29 0.04 -1.26 -4.85 135.00 129.91 3dwk s PRO 600 Ca 0.38 1.20 -0.07 0.00 0.04 0.00 0.00 61.00 62.55 3dwk s PRO 600 Cb -0.22 -1.65 0.27 0.00 0.04 0.00 0.00 34.50 32.93 3dwk s PRO 600 CO 0.26 -3.13 1.89 -0.44 0.04 0.00 0.00 177.00 175.62 3dwk h ASP 601 N -2.21 0.96 -0.95 6.66 3.45 -1.98 -2.89 116.42 119.45 3dwk h ASP 601 Ca -0.52 -0.01 -0.52 0.00 0.43 0.00 0.00 57.03 56.41 3dwk h ASP 601 Cb 1.30 -0.22 -0.21 0.00 -0.56 0.00 0.00 39.33 39.64 3dwk h ASP 601 CO 0.46 0.66 0.62 -0.46 -1.57 0.00 0.00 179.24 178.95 3dwk n ASN 602 N -4.52 6.96 -4.58 6.45 6.94 -1.26 -4.91 115.26 120.34 3dwk n ASN 602 Ca 0.11 -3.40 -0.36 0.00 -0.02 0.00 0.00 54.58 50.91 3dwk n ASN 602 Cb 0.08 -1.08 -0.11 0.00 -2.36 0.00 0.00 39.78 36.32 3dwk n ASN 602 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3dwk s ALA 603 N -2.65 3.39 0.07 -2.53 0.00 -1.09 -1.34 121.76 117.61 3dwk s ALA 603 Ca 0.49 -0.95 0.09 0.00 0.00 0.00 0.00 51.96 51.60 3dwk s ALA 603 Cb 0.37 -2.14 -0.03 0.00 0.00 0.00 0.00 23.12 21.32 3dwk s ALA 603 CO -0.11 -0.21 -0.22 0.00 0.00 0.00 0.00 175.76 175.22 3dwk s ALA 604 N 1.10 2.48 -0.19 0.00 0.00 0.18 -4.40 121.76 120.95 3dwk s ALA 604 Ca 0.05 -1.29 -0.03 0.00 0.00 0.00 0.00 51.96 50.70 3dwk s ALA 604 Cb -0.14 -0.59 -0.22 0.00 0.00 0.00 0.00 23.12 22.17 3dwk s ALA 604 CO 0.04 0.56 0.08 1.17 0.00 0.00 0.00 175.76 177.61 3dwk n LYS 605 N 1.38 0.71 -4.65 0.00 4.81 -0.08 -1.00 118.16 119.32 3dwk n LYS 605 Ca -0.17 0.21 -0.24 0.00 -0.87 0.00 0.00 58.31 57.25 3dwk n LYS 605 Cb 0.52 -1.62 -0.16 0.00 0.02 0.00 0.00 35.03 33.80 3dwk n LYS 605 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3dwk s ASP 606 N -6.81 1.76 -0.05 3.14 1.01 -0.91 -4.21 116.67 110.60 3dwk s ASP 606 Ca -0.28 -0.28 0.03 0.00 0.71 0.00 0.00 52.55 52.73 3dwk s ASP 606 Cb 0.08 -0.45 0.00 0.00 1.01 0.00 0.00 42.92 43.56 3dwk s ASP 606 CO 0.69 0.12 -0.15 0.68 0.21 0.00 0.00 175.17 176.72 3dwk s VAL 607 N 0.06 1.33 0.12 -1.27 -7.23 -0.63 0.60 120.40 113.38 3dwk s VAL 607 Ca -0.03 -0.63 0.08 0.00 -1.81 0.00 0.00 61.98 59.60 3dwk s VAL 607 Cb -0.10 -1.16 -0.04 0.00 0.56 0.00 0.00 36.38 35.64 3dwk s VAL 607 CO 0.01 0.39 -0.20 0.26 -0.31 0.00 0.00 175.10 175.25 3dwk s TRP 608 N 0.28 1.80 -0.03 2.82 0.52 0.23 -0.99 118.94 123.57 3dwk s TRP 608 Ca -0.08 -0.43 0.02 0.00 0.02 0.00 0.00 56.10 55.62 3dwk s TRP 608 Cb -0.13 -0.96 0.01 0.00 -1.15 0.00 0.00 33.47 31.24 3dwk s TRP 608 CO 0.03 0.24 -0.07 -1.50 0.02 0.00 0.00 176.95 175.67 3dwk s ILE 609 N -1.42 0.68 -0.30 2.03 2.07 -0.31 -0.74 121.20 123.21 3dwk s ILE 609 Ca 0.09 -0.27 0.02 0.00 -1.41 0.00 0.00 60.65 59.08 3dwk s ILE 609 Cb -0.09 -0.63 0.09 0.00 0.13 0.00 0.00 42.46 41.95 3dwk s ILE 609 CO 0.05 0.23 0.01 0.20 -1.91 0.00 0.00 174.94 173.52 3dwk s ASN 610 N 0.43 4.40 0.20 4.50 0.01 -0.41 -0.76 114.94 123.30 3dwk s ASN 610 Ca -0.06 -1.74 0.09 0.00 -0.71 0.00 0.00 52.86 50.44 3dwk s ASN 610 Cb -0.10 -1.39 -0.04 0.00 0.41 0.00 0.00 41.25 40.13 3dwk s ASN 610 CO 0.01 -0.33 -0.10 -0.83 -1.51 0.00 0.00 177.10 174.34 3dwk s GLY 611 N 1.16 1.73 -0.15 0.66 0.00 -0.18 -0.32 107.32 110.22 3dwk s GLY 611 Ca 0.04 -1.53 -0.09 0.00 0.00 0.00 0.00 44.72 43.15 3dwk s GLY 611 CO -0.10 -1.56 0.37 -0.11 0.00 0.00 0.00 173.10 171.70 3dwk s PHE 612 N -1.82 -0.51 0.45 1.90 -0.71 -0.23 -0.00 117.98 117.07 3dwk s PHE 612 Ca 0.26 1.13 0.07 0.00 -1.04 0.00 0.00 56.93 57.34 3dwk s PHE 612 Cb -0.08 0.20 -0.01 0.00 -1.21 0.00 0.00 43.02 41.91 3dwk s PHE 612 CO 0.15 -0.30 0.34 0.95 -1.34 0.00 0.00 175.22 175.03 3dwk s THR 613 N 1.18 2.29 0.56 -4.49 -4.23 0.17 -2.11 115.64 109.02 3dwk s THR 613 Ca -0.08 -1.47 0.28 0.00 -1.18 0.00 0.00 61.69 59.24 3dwk s THR 613 Cb -0.08 -2.76 0.39 0.00 1.34 0.00 0.00 72.50 71.40 3dwk s THR 613 CO -0.10 0.00 1.96 -0.65 -0.54 0.00 0.00 174.62 175.30 3dwk h PRO 614 N 1.04 0.00 0.00 3.99 0.11 -1.81 -3.26 132.00 132.06 3dwk h PRO 614 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 3dwk h PRO 614 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3dwk h PRO 614 CO 0.60 0.00 -0.43 0.94 -0.21 0.00 0.00 178.00 178.90 3dwk n GLN 615 N -4.01 0.35 -4.52 1.05 7.27 -1.26 -4.38 117.38 111.88 3dwk n GLN 615 Ca 0.09 0.42 -0.31 0.00 0.07 0.00 0.00 57.00 57.27 3dwk n GLN 615 Cb 0.62 -1.43 -0.11 0.00 2.41 0.00 0.00 30.24 31.73 3dwk n GLN 615 CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 3dwk s TYR 616 N -2.00 2.72 -0.11 3.69 4.12 -1.23 -0.34 117.35 124.20 3dwk s TYR 616 Ca -0.12 -0.15 -0.00 0.00 0.02 0.00 0.00 57.07 56.81 3dwk s TYR 616 Cb 0.02 -1.52 -0.02 0.00 -1.52 0.00 0.00 41.96 38.91 3dwk s TYR 616 CO 0.19 0.33 -0.09 0.99 0.02 0.00 0.00 175.55 176.99 3dwk s THR 617 N -1.00 3.50 -0.05 -0.71 2.01 -0.90 0.47 115.64 118.96 3dwk s THR 617 Ca 0.17 -0.52 0.02 0.00 0.31 0.00 0.00 61.69 61.67 3dwk s THR 617 Cb -0.11 -2.47 0.01 0.00 0.01 0.00 0.00 72.50 69.95 3dwk s THR 617 CO 0.07 0.55 -0.11 -0.32 -0.69 0.00 0.00 174.62 174.12 3dwk s MET 618 N -0.13 1.46 -0.09 4.92 0.00 1.00 -0.85 119.30 125.60 3dwk s MET 618 Ca 0.01 -0.37 0.02 0.00 0.00 0.00 0.00 55.69 55.35 3dwk s MET 618 Cb -0.13 -1.25 0.02 0.00 0.00 0.00 0.00 34.83 33.46 3dwk s MET 618 CO 0.03 0.04 -0.13 0.45 0.00 0.00 0.00 175.02 175.41 3dwk s SER 619 N 0.57 2.18 -0.11 1.11 0.15 -0.28 -1.01 113.70 116.31 3dwk s SER 619 Ca -0.12 -0.37 0.03 0.00 0.70 0.00 0.00 55.95 56.20 3dwk s SER 619 Cb -0.14 -0.96 0.01 0.00 -1.71 0.00 0.00 66.02 63.21 3dwk s SER 619 CO 0.03 0.00 -0.21 -0.69 1.20 0.00 0.00 173.24 173.57 3dwk s VAL 620 N 0.97 1.90 0.11 4.45 1.01 0.06 -1.35 120.40 127.54 3dwk s VAL 620 Ca -0.08 -0.90 0.10 0.00 0.00 0.00 0.00 61.98 61.09 3dwk s VAL 620 Cb -0.15 -1.67 -0.04 0.00 0.00 0.00 0.00 36.38 34.53 3dwk s VAL 620 CO -0.01 0.52 -0.22 0.86 0.00 0.00 0.00 175.10 176.25 3dwk s TRP 621 N 0.61 2.43 -0.04 5.22 -0.00 -0.18 -1.16 118.94 125.82 3dwk s TRP 621 Ca -0.13 -0.32 -0.04 0.00 -0.00 0.00 0.00 56.10 55.61 3dwk s TRP 621 Cb -0.17 -1.33 0.01 0.00 -0.00 0.00 0.00 33.47 31.99 3dwk s TRP 621 CO 0.04 0.33 0.11 -1.64 -0.00 0.00 0.00 176.95 175.78 3dwk s MET 622 N -1.96 0.16 0.29 5.86 -1.94 -0.16 -1.35 119.30 120.20 3dwk s MET 622 Ca 0.16 0.08 -0.10 0.00 -1.71 0.00 0.00 55.69 54.11 3dwk s MET 622 Cb -0.10 0.07 0.04 0.00 2.01 0.00 0.00 34.83 36.85 3dwk s MET 622 CO 0.07 -0.02 0.57 0.41 -0.01 0.00 0.00 175.02 176.04 3dwk n GLY 623 N 2.85 1.34 3.42 -0.03 0.00 -1.01 -1.60 105.19 110.16 3dwk n GLY 623 Ca -0.14 -1.22 -0.31 0.00 0.00 0.00 0.00 46.02 44.35 3dwk n GLY 623 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3dwk s PHE 624 N -3.91 2.52 0.46 1.61 0.40 -1.26 0.57 117.98 118.37 3dwk s PHE 624 Ca 0.13 -0.28 0.19 0.00 -0.60 0.00 0.00 56.93 56.37 3dwk s PHE 624 Cb -0.03 -1.49 1.21 0.00 0.51 0.00 0.00 43.02 43.22 3dwk s PHE 624 CO 0.09 0.18 2.05 0.66 0.70 0.00 0.00 175.22 178.90 3dwk h SER 625 N 4.86 0.00 -3.31 1.36 4.64 -1.55 -3.42 113.55 116.13 3dwk h SER 625 Ca -0.47 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 60.68 3dwk h SER 625 Cb 1.15 0.00 -0.29 0.00 -0.31 0.00 0.00 62.40 62.95 3dwk h SER 625 CO 0.47 0.14 -0.45 -0.75 -0.87 0.00 0.00 176.83 175.38 3dwk s LYS 626 N -4.53 0.24 -0.06 4.77 2.36 -1.26 -5.11 119.74 116.14 3dwk s LYS 626 Ca -0.04 0.59 -0.30 0.00 -2.55 0.00 0.00 55.97 53.67 3dwk s LYS 626 Cb 0.15 -0.10 -0.05 0.00 -1.05 0.00 0.00 37.83 36.78 3dwk s LYS 626 CO 0.65 -0.16 1.65 0.54 1.55 0.00 0.00 175.35 179.58 3dwk s VAL 627 N 1.31 3.59 0.54 4.02 0.11 -1.26 -4.73 120.40 123.99 3dwk s VAL 627 Ca -0.09 0.72 0.08 0.00 -2.93 0.00 0.00 61.98 59.75 3dwk s VAL 627 Cb -0.10 -3.47 0.06 0.00 -1.53 0.00 0.00 36.38 31.34 3dwk s VAL 627 CO -0.09 -0.07 0.62 -0.54 -3.33 0.00 0.00 175.10 171.68 3dwk s LYS 628 N 4.07 2.34 0.30 1.54 1.02 -1.26 -5.00 119.74 122.76 3dwk s LYS 628 Ca 0.73 -1.73 -0.27 0.00 0.02 0.00 0.00 55.97 54.71 3dwk s LYS 628 Cb -0.33 -2.45 -0.09 0.00 -0.52 0.00 0.00 37.83 34.44 3dwk s LYS 628 CO 0.29 -0.69 0.97 -1.14 -0.92 0.00 0.00 175.35 173.87 3dwk s GLN 629 N -4.48 4.63 0.00 1.68 2.00 -1.26 -3.95 119.66 118.28 3dwk s GLN 629 Ca 0.51 1.45 0.00 0.00 -2.00 0.00 0.00 55.36 55.32 3dwk s GLN 629 Cb -0.05 -2.96 0.00 0.00 0.80 0.00 0.00 33.01 30.80 3dwk s GLN 629 CO 0.32 0.30 0.00 0.66 -0.50 0.00 0.00 175.29 176.06 3dwk n TYR 630 N 0.84 0.00 -0.22 1.67 4.02 0.45 -3.02 117.16 120.90 3dwk n TYR 630 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 3dwk n TYR 630 Cb 0.48 -0.52 0.00 0.00 -0.02 0.00 0.00 39.34 39.28 3dwk n TYR 630 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dwk n GLY 631 N -1.91 0.88 0.24 2.72 0.00 -1.25 -4.51 105.19 101.36 3dwk n GLY 631 Ca 0.00 -0.06 0.05 0.00 0.00 0.00 0.00 46.02 46.01 3dwk n GLY 631 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3dwk h GLU 632 N 2.48 0.07 -1.63 1.61 4.81 -1.75 -2.18 114.58 117.99 3dwk h GLU 632 Ca 0.00 -0.01 -0.63 0.00 -0.13 0.00 0.00 59.36 58.59 3dwk h GLU 632 Cb 0.00 -0.01 -0.38 0.00 0.63 0.00 0.00 28.75 28.98 3dwk h GLU 632 CO 0.00 0.19 -0.30 0.09 -0.73 0.00 0.00 179.01 178.26 3dwk n ASN 633 N -4.36 5.39 -4.11 1.04 4.13 -1.26 -4.97 115.26 111.11 3dwk n ASN 633 Ca -0.02 -3.75 -0.10 0.00 1.68 0.00 0.00 54.58 52.40 3dwk n ASN 633 Cb 0.21 -0.60 -0.09 0.00 -1.54 0.00 0.00 39.78 37.75 3dwk n ASN 633 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 3dwk s SER 634 N -2.95 0.26 -0.26 6.41 0.01 -0.82 -4.50 113.70 111.84 3dwk s SER 634 Ca 0.49 -1.14 -0.16 0.00 1.31 0.00 0.00 55.95 56.45 3dwk s SER 634 Cb 0.41 0.32 -0.03 0.00 0.21 0.00 0.00 66.02 66.93 3dwk s SER 634 CO -0.24 -0.76 0.41 -0.36 0.41 0.00 0.00 173.24 172.70 3dwk s PHE 635 N -4.03 3.26 -0.31 2.43 0.40 -0.17 -4.87 117.98 114.68 3dwk s PHE 635 Ca 0.23 0.48 -0.02 0.00 -0.60 0.00 0.00 56.93 57.02 3dwk s PHE 635 Cb 0.07 -2.60 0.05 0.00 0.51 0.00 0.00 43.02 41.04 3dwk s PHE 635 CO 0.01 -0.23 0.02 0.08 0.70 0.00 0.00 175.22 175.81 3dwk s VAL 636 N 2.07 3.07 0.00 -0.44 1.01 -1.25 0.52 120.40 125.38 3dwk s VAL 636 Ca 0.17 -1.40 0.00 0.00 0.00 0.00 0.00 61.98 60.75 3dwk s VAL 636 Cb -0.16 -2.78 0.00 0.00 0.00 0.00 0.00 36.38 33.44 3dwk s VAL 636 CO 0.10 -0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.66 3dwk n GLY 637 N 4.64 -1.64 0.32 4.51 0.00 -0.45 -3.80 105.19 108.77 3dwk n GLY 637 Ca -0.12 -1.49 0.12 0.00 0.00 0.00 0.00 46.02 44.53 3dwk n GLY 637 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 3dwk h HIS 638 N 0.00 0.06 -0.86 1.61 2.76 -1.95 0.67 115.15 117.44 3dwk h HIS 638 Ca 0.00 0.06 0.21 0.00 -2.20 0.00 0.00 60.37 58.44 3dwk h HIS 638 Cb 0.00 0.12 -0.16 0.00 1.55 0.00 0.00 27.41 28.92 3dwk h HIS 638 CO 0.00 -0.34 -0.00 1.03 -1.30 0.00 0.00 177.93 177.32 3dwk h SER 639 N 0.08 -0.44 0.32 3.26 0.87 -2.00 -0.78 113.55 114.86 3dwk h SER 639 Ca 0.55 0.23 -0.33 0.00 -1.23 0.00 0.00 61.79 61.02 3dwk h SER 639 Cb 1.11 0.42 -0.03 0.00 -0.44 0.00 0.00 62.40 63.46 3dwk h SER 639 CO -0.80 -0.25 -1.81 1.56 -0.53 0.00 0.00 176.83 175.00 3dwk h GLN 640 N 0.07 0.16 0.00 2.24 4.20 -1.00 -3.32 115.11 117.46 3dwk h GLN 640 Ca 0.49 -0.28 0.00 0.00 0.06 0.00 0.00 58.65 58.92 3dwk h GLN 640 Cb 0.91 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.79 3dwk h GLN 640 CO -0.79 0.92 0.00 1.04 -0.67 0.00 0.00 178.83 179.33 3dwk n GLN 641 N -3.31 0.20 0.00 1.46 6.02 -0.67 -2.59 117.38 118.49 3dwk n GLN 641 Ca -0.24 0.14 0.14 0.00 -0.01 0.00 0.00 57.00 57.03 3dwk n GLN 641 Cb 1.05 -1.50 0.60 0.00 1.02 0.00 0.00 30.24 31.41 3dwk n GLN 641 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 3dwk n GLU 642 N -1.32 0.31 0.02 -1.09 2.13 -0.33 -4.45 120.64 115.90 3dwk n GLU 642 Ca 0.07 -0.07 -0.10 0.00 0.66 0.00 0.00 57.16 57.73 3dwk n GLU 642 Cb 0.15 -1.50 -0.03 0.00 0.27 0.00 0.00 31.44 30.32 3dwk n GLU 642 CO 0.00 0.00 0.00 1.88 -0.41 0.00 0.00 177.13 178.60 3dwk h TYR 643 N 0.17 -0.46 -0.07 4.31 0.99 -1.72 -1.44 116.97 118.75 3dwk h TYR 643 Ca 0.00 0.02 0.02 0.00 2.00 0.00 0.00 58.73 60.77 3dwk h TYR 643 Cb 0.41 0.22 -0.00 0.00 1.00 0.00 0.00 36.73 38.35 3dwk h TYR 643 CO 0.00 -0.25 0.11 -1.00 -0.00 0.00 0.00 178.16 177.02 3dwk h PRO 644 N -0.24 0.00 0.00 4.88 0.13 -1.87 0.33 132.00 135.23 3dwk h PRO 644 Ca 0.08 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.17 3dwk h PRO 644 Cb 0.36 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.48 3dwk h PRO 644 CO -0.23 0.00 -0.22 1.96 -0.23 0.00 0.00 178.00 179.28 3dwk h GLN 645 N 0.00 0.00 -0.32 0.86 4.20 -1.57 -0.86 115.11 117.43 3dwk h GLN 645 Ca 0.03 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.57 3dwk h GLN 645 Cb 0.25 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.03 3dwk h GLN 645 CO -0.00 0.22 -0.47 0.74 -0.67 0.00 0.00 178.83 178.65 3dwk h PHE 646 N 0.00 1.05 -0.20 2.96 -1.00 -0.96 -1.42 116.94 117.37 3dwk h PHE 646 Ca -0.00 -0.34 -0.03 0.00 2.81 0.00 0.00 57.97 60.40 3dwk h PHE 646 Cb 0.60 -0.21 -0.01 0.00 3.61 0.00 0.00 35.95 39.94 3dwk h PHE 646 CO 0.00 1.16 -0.00 1.25 -1.61 0.00 0.00 178.31 179.11 3dwk h LEU 647 N 0.68 0.35 0.17 1.54 5.85 -1.41 -1.54 115.31 120.95 3dwk h LEU 647 Ca 0.03 -0.31 0.01 0.00 0.84 0.00 0.00 57.88 58.46 3dwk h LEU 647 Cb 1.06 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.97 3dwk h LEU 647 CO 0.11 0.57 -0.26 0.22 -0.34 0.00 0.00 178.44 178.74 3dwk h TYR 648 N 0.11 -0.69 -0.08 1.25 3.20 -1.18 -2.10 116.97 117.47 3dwk h TYR 648 Ca 0.06 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.95 3dwk h TYR 648 Cb 0.39 0.28 -0.01 0.00 1.54 0.00 0.00 36.73 38.94 3dwk h TYR 648 CO 0.03 -0.36 0.03 1.49 -1.64 0.00 0.00 178.16 177.71 3dwk h GLU 649 N -0.49 0.07 -0.11 1.82 4.81 -1.23 0.87 114.58 120.32 3dwk h GLU 649 Ca 0.02 -0.00 0.04 0.00 -0.13 0.00 0.00 59.36 59.29 3dwk h GLU 649 Cb 0.49 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 29.80 3dwk h GLU 649 CO -0.11 0.04 -0.33 -0.91 -0.73 0.00 0.00 179.01 176.97 3dwk h ASN 650 N 0.07 -1.01 0.17 1.04 2.35 -1.20 -0.99 115.58 116.02 3dwk h ASN 650 Ca 0.04 0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.92 3dwk h ASN 650 Cb 0.02 0.42 0.00 0.00 0.05 0.00 0.00 38.32 38.82 3dwk h ASN 650 CO -0.04 -0.37 -0.08 0.58 -1.65 0.00 0.00 177.43 175.87 3dwk h VAL 651 N -0.42 0.92 -0.73 2.81 2.07 -1.21 -2.46 116.25 117.24 3dwk h VAL 651 Ca 0.09 -0.97 0.21 0.00 0.82 0.00 0.00 66.70 66.84 3dwk h VAL 651 Cb 0.55 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.75 3dwk h VAL 651 CO -0.34 0.21 0.52 0.24 0.02 0.00 0.00 177.57 178.22 3dwk h MET 652 N -0.75 0.03 -0.06 1.57 2.86 -0.84 -0.57 114.93 117.18 3dwk h MET 652 Ca -0.02 -0.00 -0.23 0.00 -2.06 0.00 0.00 59.70 57.38 3dwk h MET 652 Cb 0.51 -0.01 0.02 0.00 0.06 0.00 0.00 31.60 32.18 3dwk h MET 652 CO 0.04 0.02 -0.87 1.03 1.06 0.00 0.00 176.91 178.19 3dwk h SER 653 N 0.03 0.86 -0.26 1.22 0.87 -1.07 -1.64 113.55 113.57 3dwk h SER 653 Ca 0.35 -0.70 -0.15 0.00 -1.23 0.00 0.00 61.79 60.06 3dwk h SER 653 Cb 1.34 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 63.04 3dwk h SER 653 CO -0.02 1.44 -0.41 0.11 -0.53 0.00 0.00 176.83 177.42 3dwk h LYS 654 N 0.36 0.81 0.00 2.24 1.57 -0.67 -3.36 116.57 117.53 3dwk h LYS 654 Ca -0.09 -0.43 -0.20 0.00 -1.87 0.00 0.00 60.65 58.05 3dwk h LYS 654 Cb 1.52 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.81 3dwk h LYS 654 CO 0.17 1.07 -2.07 0.44 -0.57 0.00 0.00 179.45 178.49 3dwk n ILE 655 N -4.04 0.87 -2.29 1.86 -5.35 -0.45 -4.93 119.36 105.04 3dwk n ILE 655 Ca -0.02 -0.70 -0.40 0.00 -0.27 0.00 0.00 62.75 61.35 3dwk n ILE 655 Cb 0.55 -0.35 -0.03 0.00 -1.74 0.00 0.00 39.64 38.06 3dwk n ILE 655 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 3dwk s SER 656 N -5.21 6.95 -0.01 7.28 0.01 -0.62 -5.01 113.70 117.09 3dwk s SER 656 Ca -0.08 2.47 -0.17 0.00 1.31 0.00 0.00 55.95 59.48 3dwk s SER 656 Cb 0.09 -2.64 -0.06 0.00 0.21 0.00 0.00 66.02 63.63 3dwk s SER 656 CO 0.85 -0.39 0.49 -0.94 0.41 0.00 0.00 173.24 173.67 3dwk s SER 657 N -0.73 6.86 -1.22 2.44 1.04 -1.26 -4.93 113.70 115.91 3dwk s SER 657 Ca 0.48 1.02 -0.08 0.00 0.48 0.00 0.00 55.95 57.85 3dwk s SER 657 Cb -0.35 -2.30 0.21 0.00 0.10 0.00 0.00 66.02 63.68 3dwk s SER 657 CO 0.46 0.20 1.72 0.54 0.98 0.00 0.00 173.24 177.15 3dwk n ARG 658 N 2.39 3.84 0.00 4.02 3.00 -1.26 -4.49 116.66 124.15 3dwk n ARG 658 Ca -0.10 -3.85 0.08 0.00 -0.01 0.00 0.00 57.85 53.96 3dwk n ARG 658 Cb 0.52 -2.81 0.01 0.00 0.00 0.00 0.00 32.46 30.18 3dwk n ARG 658 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 3dwk n ASP 659 N 3.25 1.74 -0.07 0.55 5.68 -1.26 -4.98 116.55 121.46 3dwk n ASP 659 Ca 0.35 -1.37 -0.01 0.00 -0.50 0.00 0.00 54.79 53.27 3dwk n ASP 659 Cb 0.36 0.36 -0.00 0.00 -1.14 0.00 0.00 41.12 40.70 3dwk n ASP 659 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dwk n GLY 660 N 1.06 0.49 3.72 6.12 0.00 -1.26 -5.01 105.19 110.31 3dwk n GLY 660 Ca 0.07 -0.52 -0.39 0.00 0.00 0.00 0.00 46.02 45.18 3dwk n GLY 660 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3dwk n GLU 661 N -2.82 1.72 -4.40 1.61 2.13 -1.26 -4.95 120.64 112.67 3dwk n GLU 661 Ca -0.01 0.63 -0.20 0.00 0.66 0.00 0.00 57.16 58.24 3dwk n GLU 661 Cb 0.05 -2.50 -0.10 0.00 0.27 0.00 0.00 31.44 29.15 3dwk n GLU 661 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 3dwk s ASP 662 N -0.82 2.13 0.18 4.31 3.68 -1.26 -4.38 116.67 120.51 3dwk s ASP 662 Ca 0.69 -1.32 -0.30 0.00 2.13 0.00 0.00 52.55 53.74 3dwk s ASP 662 Cb -0.44 -0.04 -0.09 0.00 -1.45 0.00 0.00 42.92 40.90 3dwk s ASP 662 CO 0.52 -0.57 1.35 -0.36 0.13 0.00 0.00 175.17 176.24 3dwk s PHE 663 N -3.35 3.22 0.12 -5.34 0.08 -1.26 -4.89 117.98 106.55 3dwk s PHE 663 Ca 0.34 1.11 -0.30 0.00 0.12 0.00 0.00 56.93 58.20 3dwk s PHE 663 Cb 0.07 -3.66 -0.07 0.00 -0.57 0.00 0.00 43.02 38.80 3dwk s PHE 663 CO 0.13 -2.15 1.21 -1.59 -0.10 0.00 0.00 175.22 172.72 3dwk s LYS 664 N 0.21 4.46 -0.27 0.44 -2.85 -1.26 -4.99 119.74 115.48 3dwk s LYS 664 Ca 0.59 1.82 -0.22 0.00 -1.00 0.00 0.00 55.97 57.17 3dwk s LYS 664 Cb -0.37 -3.30 -0.01 0.00 -2.06 0.00 0.00 37.83 32.09 3dwk s LYS 664 CO 0.36 -0.19 0.69 0.50 0.10 0.00 0.00 175.35 176.82 3dwk s ARG 665 N 0.52 4.04 0.81 1.78 3.52 -1.26 -4.87 118.95 123.49 3dwk s ARG 665 Ca 0.56 0.56 -0.11 0.00 -0.13 0.00 0.00 55.73 56.62 3dwk s ARG 665 Cb -0.31 -3.68 0.08 0.00 -1.56 0.00 0.00 34.95 29.47 3dwk s ARG 665 CO 0.32 -0.52 1.09 -1.25 -0.81 0.00 0.00 175.30 174.13 3dwk s PRO 666 N 2.68 1.96 -0.01 5.12 0.04 -1.26 -4.91 135.00 138.62 3dwk s PRO 666 Ca 0.29 1.10 0.03 0.00 0.04 0.00 0.00 61.00 62.46 3dwk s PRO 666 Cb -0.15 -1.87 0.09 0.00 0.04 0.00 0.00 34.50 32.61 3dwk s PRO 666 CO 0.10 -1.84 1.00 -1.13 0.04 0.00 0.00 177.00 175.17 3dwk n SER 667 N -3.64 0.70 -0.42 6.66 3.41 -1.26 -3.50 113.62 115.57 3dwk n SER 667 Ca 0.09 -2.02 0.09 0.00 -0.26 0.00 0.00 58.87 56.76 3dwk n SER 667 Cb 0.53 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 3dwk n SER 667 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3dwk n SER 668 N -0.17 1.77 -4.63 4.04 3.41 -1.26 -4.92 113.62 111.86 3dwk n SER 668 Ca 0.03 -1.38 -0.33 0.00 -0.26 0.00 0.00 58.87 56.93 3dwk n SER 668 Cb 0.13 0.44 -0.10 0.00 -0.26 0.00 0.00 64.21 64.42 3dwk n SER 668 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3dwk s VAL 669 N -1.99 3.88 -0.08 -3.33 -7.23 -1.23 -1.08 120.40 109.34 3dwk s VAL 669 Ca 0.15 -0.58 0.02 0.00 -1.81 0.00 0.00 61.98 59.75 3dwk s VAL 669 Cb 0.14 -2.67 0.01 0.00 0.56 0.00 0.00 36.38 34.43 3dwk s VAL 669 CO 0.43 0.47 -0.14 -0.55 -0.31 0.00 0.00 175.10 175.00 3dwk s SER 670 N -1.23 2.09 0.00 4.85 0.15 -0.01 -4.76 113.70 114.79 3dwk s SER 670 Ca 0.16 -0.35 0.00 0.00 0.70 0.00 0.00 55.95 56.46 3dwk s SER 670 Cb -0.11 -0.94 0.00 0.00 -1.71 0.00 0.00 66.02 63.25 3dwk s SER 670 CO 0.06 0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.14 3dwk n GLY 671 N 3.98 -1.25 2.97 9.45 0.00 -1.26 -0.57 105.19 118.50 3dwk n GLY 671 Ca -0.21 -2.20 -0.10 0.00 0.00 0.00 0.00 46.02 43.51 3dwk n GLY 671 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dwk s SER 672 N -2.31 0.28 0.30 1.61 0.15 -1.17 -4.75 113.70 107.82 3dwk s SER 672 Ca 0.00 -0.39 -0.29 0.00 0.70 0.00 0.00 55.95 55.97 3dwk s SER 672 Cb 0.00 0.06 -0.13 0.00 -1.71 0.00 0.00 66.02 64.25 3dwk s SER 672 CO 0.00 -0.21 1.34 -0.38 1.20 0.00 0.00 173.24 175.19 3dwk n ILE 673 N 1.94 1.55 0.24 6.45 2.08 -1.26 0.35 119.36 130.71 3dwk n ILE 673 Ca -0.21 -0.39 -0.02 0.00 0.56 0.00 0.00 62.75 62.69 3dwk n ILE 673 Cb 0.56 -1.53 0.11 0.00 -0.75 0.00 0.00 39.64 38.04 3dwk n ILE 673 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 3dwk n PRO 674 N 1.21 2.03 -2.88 0.38 -0.04 -1.26 -4.97 135.00 129.46 3dwk n PRO 674 Ca 0.08 -1.15 -0.24 0.00 -0.04 0.00 0.00 63.50 62.14 3dwk n PRO 674 Cb 0.34 -1.64 -0.03 0.00 -0.04 0.00 0.00 33.50 32.14 3dwk n PRO 674 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3dwk n SER 675 N 0.08 3.74 -4.76 3.54 7.64 0.15 -2.38 113.62 121.63 3dwk n SER 675 Ca 0.16 -3.52 -0.36 0.00 1.01 0.00 0.00 58.87 56.15 3dwk n SER 675 Cb 0.75 -0.55 -0.07 0.00 -1.01 0.00 0.00 64.21 63.33 3dwk n SER 675 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3dwk s ILE 676 N -4.26 5.37 0.35 0.44 1.01 -1.24 -3.03 121.20 119.84 3dwk s ILE 676 Ca 0.46 0.34 0.04 0.00 0.00 0.00 0.00 60.65 61.49 3dwk s ILE 676 Cb 0.33 -3.52 -0.06 0.00 0.01 0.00 0.00 42.46 39.21 3dwk s ILE 676 CO -0.13 0.47 0.06 0.54 0.00 0.00 0.00 174.94 175.87 3dwk s ASN 677 N 0.04 2.63 -0.13 3.58 2.20 0.26 -0.30 114.94 123.22 3dwk s ASN 677 Ca 0.13 -1.41 -0.23 0.00 -0.94 0.00 0.00 52.86 50.41 3dwk s ASN 677 Cb -0.12 -0.06 -0.03 0.00 -2.00 0.00 0.00 41.25 39.04 3dwk s ASN 677 CO 0.02 -0.62 0.70 -0.69 -2.94 0.00 0.00 177.10 173.57 3dwk s VAL 678 N -3.21 5.01 0.23 3.54 1.01 -1.26 -0.83 120.40 124.89 3dwk s VAL 678 Ca 0.35 1.39 -0.31 0.00 0.00 0.00 0.00 61.98 63.41 3dwk s VAL 678 Cb 0.08 -4.02 -0.14 0.00 0.00 0.00 0.00 36.38 32.29 3dwk s VAL 678 CO 0.15 0.17 1.19 -1.20 0.00 0.00 0.00 175.10 175.41 3dwk n SER 679 N 4.42 1.75 -2.61 3.32 7.64 -0.24 -1.32 113.62 126.58 3dwk n SER 679 Ca -0.00 1.16 -0.21 0.00 1.01 0.00 0.00 58.87 60.82 3dwk n SER 679 Cb 0.50 -1.30 0.01 0.00 -1.01 0.00 0.00 64.21 62.41 3dwk n SER 679 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3dwk n GLY 680 N 1.77 -0.51 2.70 0.23 0.00 -1.26 -4.85 105.19 103.27 3dwk n GLY 680 Ca 0.12 0.04 -0.07 0.00 0.00 0.00 0.00 46.02 46.12 3dwk n GLY 680 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3dwk n SER 681 N -2.19 -1.85 -4.65 1.61 2.88 -0.44 -5.16 113.62 103.82 3dwk n SER 681 Ca -0.20 -2.79 -0.29 0.00 -1.33 0.00 0.00 58.87 54.25 3dwk n SER 681 Cb 0.66 1.48 0.17 0.00 -0.75 0.00 0.00 64.21 65.78 3dwk n SER 681 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3dwk s GLN 682 N 0.17 0.56 -0.27 -1.46 -0.21 -1.25 -4.27 119.66 112.94 3dwk s GLN 682 Ca 0.20 0.84 -0.15 0.00 0.02 0.00 0.00 55.36 56.26 3dwk s GLN 682 Cb 0.29 -1.73 -0.04 0.00 1.00 0.00 0.00 33.01 32.54 3dwk s GLN 682 CO -0.09 -2.72 0.40 0.34 -2.12 0.00 0.00 175.29 171.09 3dwk s ASP 683 N -3.15 6.28 0.26 5.90 -1.08 -1.26 -4.95 116.67 118.67 3dwk s ASP 683 Ca 0.65 0.33 -0.04 0.00 -0.52 0.00 0.00 52.55 52.97 3dwk s ASP 683 Cb -0.20 -2.22 0.52 0.00 -1.46 0.00 0.00 42.92 39.56 3dwk s ASP 683 CO 0.59 -0.20 1.63 -1.13 0.52 0.00 0.00 175.17 176.58 3dwk h ASN 684 N 8.14 -0.32 -3.70 -0.34 -1.24 -1.96 -3.40 115.58 112.76 3dwk h ASN 684 Ca -0.31 0.21 -0.68 0.00 0.71 0.00 0.00 56.30 56.23 3dwk h ASN 684 Cb 1.16 0.36 -0.35 0.00 0.73 0.00 0.00 38.32 40.22 3dwk h ASN 684 CO 0.66 -0.20 -0.68 0.21 -1.29 0.00 0.00 177.43 176.13 3dwk s ASN 685 N -5.16 4.92 0.29 1.15 2.47 -1.26 -5.08 114.94 112.26 3dwk s ASN 685 Ca -0.13 -1.60 0.00 0.00 0.42 0.00 0.00 52.86 51.55 3dwk s ASN 685 Cb 0.24 -1.71 -0.02 0.00 -1.45 0.00 0.00 41.25 38.30 3dwk s ASN 685 CO 0.76 -0.34 0.30 0.42 -3.72 0.00 0.00 177.10 174.52 3dwk s THR 686 N 1.16 0.00 0.03 -5.21 -4.23 -1.26 -2.22 115.64 103.91 3dwk s THR 686 Ca 0.00 -1.85 -0.16 0.00 -1.18 0.00 0.00 61.69 58.51 3dwk s THR 686 Cb -0.20 -2.51 0.03 0.00 1.34 0.00 0.00 72.50 71.16 3dwk s THR 686 CO -0.03 0.00 0.35 0.42 -0.54 0.00 0.00 174.62 174.82 3dwk s THR 687 N -3.63 0.07 -1.40 3.99 -4.23 -0.77 -4.60 115.64 105.07 3dwk s THR 687 Ca 0.36 -0.56 0.16 0.00 -1.18 0.00 0.00 61.69 60.47 3dwk s THR 687 Cb 0.03 -0.89 0.43 0.00 1.34 0.00 0.00 72.50 73.41 3dwk s THR 687 CO 0.19 -0.31 1.35 0.59 -0.54 0.00 0.00 174.62 175.91 3dwk n ASN 688 N 0.67 3.31 -4.70 3.99 4.13 -1.26 -4.85 115.26 116.55 3dwk n ASN 688 Ca -0.19 -1.98 -0.42 0.00 1.68 0.00 0.00 54.58 53.67 3dwk n ASN 688 Cb 0.59 -0.32 -0.03 0.00 -1.54 0.00 0.00 39.78 38.48 3dwk n ASN 688 CO 0.00 0.00 0.00 -0.60 0.28 0.00 0.00 177.26 176.94 3dwk s ARG 689 N -1.02 4.25 0.62 3.52 3.52 -1.26 -5.03 118.95 123.55 3dwk s ARG 689 Ca 0.33 2.17 0.01 0.00 -0.13 0.00 0.00 55.73 58.11 3dwk s ARG 689 Cb 0.18 -3.48 0.08 0.00 -1.56 0.00 0.00 34.95 30.16 3dwk s ARG 689 CO 0.23 -0.62 0.87 -1.12 -0.81 0.00 0.00 175.30 173.85 3dwk s SER 690 N 1.87 4.88 0.00 -2.12 0.01 -1.26 -4.21 113.70 112.87 3dwk s SER 690 Ca 0.69 -0.23 0.00 0.00 1.31 0.00 0.00 55.95 57.72 3dwk s SER 690 Cb -0.37 -0.42 0.00 0.00 0.21 0.00 0.00 66.02 65.44 3dwk s SER 690 CO 0.30 -1.46 0.00 0.41 0.41 0.00 0.00 173.24 172.90 3dwk n THR 691 N -2.54 0.00 0.37 1.44 -1.04 -1.26 -4.98 114.28 106.27 3dwk n THR 691 Ca 0.11 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.17 3dwk n THR 691 Cb 0.60 -0.03 0.04 0.00 -1.82 0.00 0.00 70.33 69.12 3dwk n THR 691 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84