#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xfk h MET 63 N 0.00 0.00 -6.96 3.44 2.86 -1.92 -3.44 114.93 108.91 2xfk h MET 63 Ca 0.00 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.10 2xfk h MET 63 Cb 0.00 0.00 0.11 0.00 0.06 0.00 0.00 31.60 31.77 2xfk h MET 63 CO 0.00 0.31 0.70 0.08 1.06 0.00 0.00 176.91 179.05 2xfk s VAL 64 N -2.97 2.21 -1.63 -2.22 1.01 -1.26 -2.74 120.40 112.81 2xfk s VAL 64 Ca -0.01 0.20 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 2xfk s VAL 64 Cb 0.08 -3.12 0.00 0.00 0.00 0.00 0.00 36.38 33.35 2xfk s VAL 64 CO 0.79 0.03 0.19 -0.67 0.00 0.00 0.00 175.10 175.45 2xfk n ASP 65 N 0.08 -5.76 -0.53 3.32 2.03 -1.21 -4.92 116.55 109.56 2xfk n ASP 65 Ca 0.04 -0.10 0.11 0.00 0.52 0.00 0.00 54.79 55.36 2xfk n ASP 65 Cb 0.42 -4.72 0.42 0.00 -0.72 0.00 0.00 41.12 36.51 2xfk n ASP 65 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2xfk n ASN 66 N -1.96 1.61 -4.70 1.67 6.94 -1.00 -4.81 115.26 113.01 2xfk n ASN 66 Ca -0.19 -1.65 -0.31 0.00 -0.02 0.00 0.00 54.58 52.41 2xfk n ASN 66 Cb 0.66 -0.08 -0.08 0.00 -2.36 0.00 0.00 39.78 37.92 2xfk n ASN 66 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2xfk s LEU 67 N -1.68 3.54 0.33 -4.53 1.43 -0.20 -4.33 118.68 113.23 2xfk s LEU 67 Ca 0.34 -0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.38 2xfk s LEU 67 Cb 0.18 -2.18 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 2xfk s LEU 67 CO 0.28 0.21 0.12 -0.13 0.23 0.00 0.00 176.35 177.06 2xfk s ARG 68 N -2.06 1.66 -0.03 1.70 0.52 -0.66 -2.43 118.95 117.65 2xfk s ARG 68 Ca 0.24 -1.96 -0.29 0.00 -0.52 0.00 0.00 55.73 53.20 2xfk s ARG 68 Cb -0.12 -0.43 0.10 0.00 0.52 0.00 0.00 34.95 35.03 2xfk s ARG 68 CO 0.16 -0.38 1.31 0.20 0.02 0.00 0.00 175.30 176.62 2xfk s GLY 69 N -3.45 -0.20 -0.06 -3.53 0.00 -0.84 -0.38 107.32 98.85 2xfk s GLY 69 Ca 0.33 0.19 0.05 0.00 0.00 0.00 0.00 44.72 45.30 2xfk s GLY 69 CO 0.16 4.84 -0.23 1.25 0.00 0.00 0.00 173.10 179.11 2xfk s LYS 70 N -2.07 2.63 0.26 2.90 2.20 -1.24 -0.68 119.74 123.74 2xfk s LYS 70 Ca 0.27 -0.86 -0.30 0.00 -0.36 0.00 0.00 55.97 54.72 2xfk s LYS 70 Cb 0.01 -2.23 -0.14 0.00 -1.51 0.00 0.00 37.83 33.95 2xfk s LYS 70 CO -0.02 0.39 1.17 0.45 -0.36 0.00 0.00 175.35 176.99 2xfk n SER 71 N 2.93 1.83 0.00 1.43 2.88 -1.26 -1.42 113.62 120.00 2xfk n SER 71 Ca -0.17 1.17 0.00 0.00 -1.33 0.00 0.00 58.87 58.53 2xfk n SER 71 Cb 0.52 -1.33 0.00 0.00 -0.75 0.00 0.00 64.21 62.65 2xfk n SER 71 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2xfk n GLY 72 N 1.57 0.91 0.00 0.46 0.00 -1.26 -4.83 105.19 102.03 2xfk n GLY 72 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2xfk n GLY 72 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2xfk n GLN 73 N -2.07 -0.51 0.00 1.61 6.02 -0.51 -4.92 117.38 117.00 2xfk n GLN 73 Ca 0.00 -0.49 0.00 0.00 -0.01 0.00 0.00 57.00 56.50 2xfk n GLN 73 Cb 0.00 -0.91 0.00 0.00 1.02 0.00 0.00 30.24 30.35 2xfk n GLN 73 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2xfk n GLY 74 N -0.04 2.25 3.85 1.08 0.00 -1.24 -4.83 105.19 106.25 2xfk n GLY 74 Ca 0.00 -1.83 -0.34 0.00 0.00 0.00 0.00 46.02 43.85 2xfk n GLY 74 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2xfk s TYR 75 N -2.55 3.47 0.05 1.61 1.51 -1.26 -3.61 117.35 116.57 2xfk s TYR 75 Ca 0.00 0.35 0.02 0.00 -1.01 0.00 0.00 57.07 56.43 2xfk s TYR 75 Cb 0.00 -1.83 -0.03 0.00 -0.11 0.00 0.00 41.96 39.99 2xfk s TYR 75 CO 0.00 0.63 -0.07 1.52 -1.11 0.00 0.00 175.55 176.53 2xfk s TYR 76 N -1.19 0.68 0.08 2.71 -0.85 0.48 -0.97 117.35 118.29 2xfk s TYR 76 Ca 0.22 -0.63 0.10 0.00 -0.52 0.00 0.00 57.07 56.24 2xfk s TYR 76 Cb -0.12 -0.41 -0.03 0.00 0.38 0.00 0.00 41.96 41.77 2xfk s TYR 76 CO 0.13 -0.12 -0.25 0.54 -1.52 0.00 0.00 175.55 174.32 2xfk s VAL 77 N -2.06 2.31 0.17 -3.49 0.11 0.04 -1.66 120.40 115.82 2xfk s VAL 77 Ca -0.04 -1.50 -0.30 0.00 -2.93 0.00 0.00 61.98 57.20 2xfk s VAL 77 Cb -0.05 -1.96 -0.07 0.00 -1.53 0.00 0.00 36.38 32.76 2xfk s VAL 77 CO -0.02 0.25 1.08 -0.70 -3.33 0.00 0.00 175.10 172.39 2xfk s GLU 78 N -1.61 4.61 0.14 1.54 2.12 -1.26 -0.64 118.70 123.60 2xfk s GLU 78 Ca 0.13 1.69 0.01 0.00 0.36 0.00 0.00 54.97 57.16 2xfk s GLU 78 Cb -0.10 -3.29 -0.04 0.00 0.26 0.00 0.00 34.13 30.96 2xfk s GLU 78 CO 0.04 0.10 -0.01 -1.64 -0.54 0.00 0.00 175.26 173.21 2xfk s MET 79 N -0.35 0.99 0.07 4.30 -1.94 0.24 -4.08 119.30 118.52 2xfk s MET 79 Ca 0.49 -1.45 0.08 0.00 -1.71 0.00 0.00 55.69 53.10 2xfk s MET 79 Cb -0.29 -0.16 -0.03 0.00 2.01 0.00 0.00 34.83 36.36 2xfk s MET 79 CO 0.34 -0.12 -0.23 0.95 -0.01 0.00 0.00 175.02 175.96 2xfk s THR 80 N -3.71 1.88 0.02 2.05 -4.23 -0.15 -0.88 115.64 110.62 2xfk s THR 80 Ca 0.20 -1.39 0.05 0.00 -1.18 0.00 0.00 61.69 59.37 2xfk s THR 80 Cb 0.06 -1.64 -0.02 0.00 1.34 0.00 0.00 72.50 72.24 2xfk s THR 80 CO 0.01 0.19 -0.14 0.68 -0.54 0.00 0.00 174.62 174.81 2xfk s VAL 81 N -0.90 1.10 0.00 2.29 -7.23 -0.21 -1.55 120.40 113.90 2xfk s VAL 81 Ca 0.09 -0.83 0.00 0.00 -1.81 0.00 0.00 61.98 59.43 2xfk s VAL 81 Cb -0.09 -0.96 0.00 0.00 0.56 0.00 0.00 36.38 35.88 2xfk s VAL 81 CO 0.03 0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.56 2xfk n GLY 82 N 2.25 -0.87 2.77 2.32 0.00 -0.31 -0.40 105.19 110.95 2xfk n GLY 82 Ca -0.16 -1.68 -0.25 0.00 0.00 0.00 0.00 46.02 43.93 2xfk n GLY 82 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2xfk s SER 83 N -2.54 2.01 0.85 1.61 0.15 -1.26 -3.22 113.70 111.30 2xfk s SER 83 Ca 0.00 -0.31 -0.11 0.00 0.70 0.00 0.00 55.95 56.23 2xfk s SER 83 Cb 0.00 -0.51 0.10 0.00 -1.71 0.00 0.00 66.02 63.90 2xfk s SER 83 CO 0.00 -0.22 1.10 -2.16 1.20 0.00 0.00 173.24 173.16 2xfk s PRO 84 N 1.92 1.62 0.15 5.44 0.04 -1.26 -1.57 135.00 141.33 2xfk s PRO 84 Ca 0.03 1.21 -0.31 0.00 0.04 0.00 0.00 61.00 61.97 2xfk s PRO 84 Cb -0.14 -1.82 -0.09 0.00 0.04 0.00 0.00 34.50 32.50 2xfk s PRO 84 CO -0.06 -2.10 1.42 -2.14 0.04 0.00 0.00 177.00 174.16 2xfk s PRO 85 N -4.82 4.30 -0.28 0.56 0.02 -1.20 -4.89 135.00 128.69 2xfk s PRO 85 Ca 0.63 2.15 -0.09 0.00 0.02 0.00 0.00 61.00 63.71 2xfk s PRO 85 Cb -0.19 -3.21 -0.03 0.00 0.02 0.00 0.00 34.50 31.09 2xfk s PRO 85 CO 0.57 -0.45 0.14 -0.65 -0.33 0.00 0.00 177.00 176.28 2xfk s GLN 86 N 0.86 3.65 0.04 5.54 -0.21 0.46 -4.91 119.66 125.10 2xfk s GLN 86 Ca 0.64 -0.50 -0.30 0.00 0.02 0.00 0.00 55.36 55.22 2xfk s GLN 86 Cb -0.39 -3.52 -0.04 0.00 1.00 0.00 0.00 33.01 30.06 2xfk s GLN 86 CO 0.32 -0.26 1.03 0.99 -2.12 0.00 0.00 175.29 175.26 2xfk s THR 87 N 1.66 4.56 0.01 -0.19 2.01 -1.26 -1.05 115.64 121.39 2xfk s THR 87 Ca 0.06 1.90 -0.02 0.00 0.31 0.00 0.00 61.69 63.94 2xfk s THR 87 Cb -0.16 -4.22 -0.01 0.00 0.01 0.00 0.00 72.50 68.12 2xfk s THR 87 CO 0.07 0.18 0.03 -0.76 -0.69 0.00 0.00 174.62 173.45 2xfk s LEU 88 N 0.76 2.00 -0.12 4.42 1.43 -0.06 -4.95 118.68 122.15 2xfk s LEU 88 Ca 0.52 -0.37 -0.17 0.00 -1.03 0.00 0.00 54.13 53.08 2xfk s LEU 88 Cb -0.24 0.29 -0.04 0.00 0.03 0.00 0.00 46.19 46.23 2xfk s LEU 88 CO 0.29 -0.31 0.44 0.20 0.23 0.00 0.00 176.35 177.20 2xfk s ASN 89 N -1.36 6.64 -0.13 2.29 0.02 -1.26 -0.59 114.94 120.55 2xfk s ASN 89 Ca -0.15 0.76 0.01 0.00 -1.02 0.00 0.00 52.86 52.46 2xfk s ASN 89 Cb -0.09 -2.26 0.02 0.00 0.02 0.00 0.00 41.25 38.94 2xfk s ASN 89 CO -0.00 0.03 -0.13 -0.63 0.02 0.00 0.00 177.10 176.39 2xfk s ILE 90 N 0.54 1.44 0.17 0.60 -1.09 0.19 -0.41 121.20 122.64 2xfk s ILE 90 Ca 0.24 -0.57 -0.31 0.00 -2.23 0.00 0.00 60.65 57.78 2xfk s ILE 90 Cb -0.15 -1.36 -0.09 0.00 -1.58 0.00 0.00 42.46 39.29 2xfk s ILE 90 CO 0.09 0.43 1.41 -0.22 -1.23 0.00 0.00 174.94 175.42 2xfk s LEU 91 N 1.34 4.38 -0.34 2.97 0.20 0.46 -0.78 118.68 126.92 2xfk s LEU 91 Ca 0.01 2.46 -0.20 0.00 0.69 0.00 0.00 54.13 57.09 2xfk s LEU 91 Cb -0.13 -3.60 -0.00 0.00 -0.43 0.00 0.00 46.19 42.02 2xfk s LEU 91 CO -0.07 -0.66 0.61 0.68 -0.29 0.00 0.00 176.35 176.62 2xfk s VAL 92 N 0.64 4.93 -0.30 1.68 -7.23 -0.15 -0.15 120.40 119.82 2xfk s VAL 92 Ca 0.62 0.61 0.01 0.00 -1.81 0.00 0.00 61.98 61.42 2xfk s VAL 92 Cb -0.39 -4.03 0.09 0.00 0.56 0.00 0.00 36.38 32.61 2xfk s VAL 92 CO 0.35 -0.24 0.05 -0.62 -0.31 0.00 0.00 175.10 174.33 2xfk s ASP 93 N 1.74 4.18 0.00 4.85 2.15 -0.39 -4.13 116.67 125.08 2xfk s ASP 93 Ca 0.23 -1.68 0.28 0.00 0.43 0.00 0.00 52.55 51.82 2xfk s ASP 93 Cb -0.15 -1.16 1.57 0.00 -0.30 0.00 0.00 42.92 42.89 2xfk s ASP 93 CO 0.14 -0.36 2.01 0.35 -0.17 0.00 0.00 175.17 177.13 2xfk n THR 94 N 4.63 0.05 -0.47 1.71 -2.24 -1.26 -0.42 114.28 116.28 2xfk n THR 94 Ca -0.02 0.01 0.10 0.00 -2.27 0.00 0.00 64.05 61.87 2xfk n THR 94 Cb 0.43 -0.56 0.34 0.00 -2.10 0.00 0.00 70.33 68.44 2xfk n THR 94 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2xfk n GLY 95 N 0.93 2.57 3.69 3.38 0.00 -1.26 -4.26 105.19 110.25 2xfk n GLY 95 Ca 0.18 -0.82 -0.10 0.00 0.00 0.00 0.00 46.02 45.27 2xfk n GLY 95 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2xfk s SER 96 N -0.94 0.18 -0.00 1.61 1.04 -1.22 -5.01 113.70 109.36 2xfk s SER 96 Ca 0.50 -1.11 0.00 0.00 0.48 0.00 0.00 55.95 55.83 2xfk s SER 96 Cb 0.30 0.74 0.00 0.00 0.10 0.00 0.00 66.02 67.15 2xfk s SER 96 CO 0.28 -1.43 0.66 -1.20 0.98 0.00 0.00 173.24 172.53 2xfk n SER 97 N -1.07 0.61 -4.70 7.02 7.64 -1.26 -0.75 113.62 121.10 2xfk n SER 97 Ca -0.04 -1.33 -0.35 0.00 1.01 0.00 0.00 58.87 58.16 2xfk n SER 97 Cb 0.61 -0.01 -0.09 0.00 -1.01 0.00 0.00 64.21 63.71 2xfk n SER 97 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2xfk s ASN 98 N -0.34 5.69 -0.26 6.43 -0.87 -1.26 -4.51 114.94 119.83 2xfk s ASN 98 Ca 0.00 0.18 -0.17 0.00 -1.57 0.00 0.00 52.86 51.31 2xfk s ASN 98 Cb 0.00 -1.86 -0.03 0.00 -0.02 0.00 0.00 41.25 39.34 2xfk s ASN 98 CO 0.00 0.28 0.47 0.12 -2.57 0.00 0.00 177.10 175.40 2xfk s PHE 99 N -0.27 3.27 0.00 2.20 5.99 -1.26 -1.22 117.98 126.70 2xfk s PHE 99 Ca 0.08 0.58 -0.06 0.00 0.00 0.00 0.00 56.93 57.53 2xfk s PHE 99 Cb -0.12 -2.67 -0.00 0.00 0.00 0.00 0.00 43.02 40.23 2xfk s PHE 99 CO 0.01 -0.25 0.11 0.00 -0.00 0.00 0.00 175.22 175.10 2xfk s ALA 100 N 2.18 -0.26 -0.01 11.12 0.00 -0.48 -1.05 121.76 133.26 2xfk s ALA 100 Ca 0.20 -0.18 -0.01 0.00 0.00 0.00 0.00 51.96 51.97 2xfk s ALA 100 Cb -0.16 0.10 -0.00 0.00 0.00 0.00 0.00 23.12 23.06 2xfk s ALA 100 CO 0.09 -0.19 0.02 0.14 0.00 0.00 0.00 175.76 175.82 2xfk s VAL 101 N -1.32 0.01 0.07 0.00 -7.23 -0.36 -0.46 120.40 111.11 2xfk s VAL 101 Ca -0.14 -0.11 -0.36 0.00 -1.81 0.00 0.00 61.98 59.55 2xfk s VAL 101 Cb -0.08 -0.08 -0.16 0.00 0.56 0.00 0.00 36.38 36.63 2xfk s VAL 101 CO 0.01 -0.06 1.43 0.61 -0.31 0.00 0.00 175.10 176.77 2xfk n GLY 102 N 2.87 0.63 0.36 2.32 0.00 0.23 -0.46 105.19 111.14 2xfk n GLY 102 Ca -0.14 0.72 0.03 0.00 0.00 0.00 0.00 46.02 46.63 2xfk n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xfk n ALA 103 N 3.00 2.06 -3.20 4.61 0.00 -0.45 -0.65 120.51 125.88 2xfk n ALA 103 Ca 0.19 -1.48 -0.12 0.00 0.00 0.00 0.00 53.44 52.03 2xfk n ALA 103 Cb 0.20 -0.45 -0.04 0.00 0.00 0.00 0.00 19.45 19.16 2xfk n ALA 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2xfk s ALA 104 N -0.87 -1.21 0.54 0.00 0.00 -1.23 -4.79 121.76 114.20 2xfk s ALA 104 Ca 0.10 0.29 -0.22 0.00 0.00 0.00 0.00 51.96 52.13 2xfk s ALA 104 Cb 0.08 0.63 -0.05 0.00 0.00 0.00 0.00 23.12 23.78 2xfk s ALA 104 CO 0.01 -0.62 1.34 -2.30 0.00 0.00 0.00 175.76 174.19 2xfk n PRO 105 N -0.03 1.68 -3.72 0.00 -0.02 -1.26 -4.93 135.00 126.73 2xfk n PRO 105 Ca -0.17 0.62 -0.14 0.00 -2.02 0.00 0.00 63.50 61.79 2xfk n PRO 105 Cb 0.63 -2.56 -0.09 0.00 -0.02 0.00 0.00 33.50 31.46 2xfk n PRO 105 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2xfk s HIS 106 N -1.29 -0.38 0.49 6.00 2.46 -1.26 -5.05 115.29 116.25 2xfk s HIS 106 Ca 0.71 0.82 0.23 0.00 0.47 0.00 0.00 55.06 57.30 2xfk s HIS 106 Cb -0.42 0.16 1.28 0.00 -0.13 0.00 0.00 32.58 33.47 2xfk s HIS 106 CO 0.49 -0.33 1.92 -1.35 -2.47 0.00 0.00 174.74 173.01 2xfk h PRO 107 N 4.60 0.17 -0.22 2.88 0.11 -2.03 -1.59 132.00 135.93 2xfk h PRO 107 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2xfk h PRO 107 Cb 1.17 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.25 2xfk h PRO 107 CO 0.31 0.11 0.00 1.19 -0.21 0.00 0.00 178.00 179.41 2xfk n PHE 108 N -4.40 0.26 -3.55 0.65 0.99 -1.26 -4.89 117.46 105.27 2xfk n PHE 108 Ca 0.15 -0.13 -0.37 0.00 -0.00 0.00 0.00 57.45 57.10 2xfk n PHE 108 Cb 0.70 0.00 -0.09 0.00 -1.00 0.00 0.00 39.48 39.09 2xfk n PHE 108 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 2xfk s LEU 109 N -1.72 4.11 0.24 4.37 1.43 -0.60 -4.67 118.68 121.84 2xfk s LEU 109 Ca 0.34 0.24 0.05 0.00 -1.03 0.00 0.00 54.13 53.74 2xfk s LEU 109 Cb 0.21 -2.26 0.24 0.00 0.03 0.00 0.00 46.19 44.41 2xfk s LEU 109 CO 0.31 -0.01 1.55 0.45 0.23 0.00 0.00 176.35 178.88 2xfk h HIS 110 N 7.58 0.26 -3.29 0.29 3.86 -1.90 -3.43 115.15 118.52 2xfk h HIS 110 Ca -0.37 -0.10 -0.01 0.00 -1.16 0.00 0.00 60.37 58.73 2xfk h HIS 110 Cb 1.17 -0.04 -0.09 0.00 1.06 0.00 0.00 27.41 29.50 2xfk h HIS 110 CO 0.69 0.77 0.05 -0.98 0.86 0.00 0.00 177.93 179.32 2xfk s ARG 111 N -3.69 1.50 0.20 2.45 1.70 -1.26 -5.15 118.95 114.70 2xfk s ARG 111 Ca -0.03 -0.95 -0.18 0.00 -0.47 0.00 0.00 55.73 54.09 2xfk s ARG 111 Cb 0.12 0.53 0.03 0.00 -0.57 0.00 0.00 34.95 35.06 2xfk s ARG 111 CO 0.80 -0.65 0.56 1.52 -1.08 0.00 0.00 175.30 176.44 2xfk s TYR 112 N -3.91 -0.15 -0.09 5.89 -0.85 -1.26 -4.91 117.35 112.07 2xfk s TYR 112 Ca 0.12 -0.20 -0.30 0.00 -0.52 0.00 0.00 57.07 56.18 2xfk s TYR 112 Cb -0.02 0.44 -0.03 0.00 0.38 0.00 0.00 41.96 42.73 2xfk s TYR 112 CO 0.01 -0.96 1.31 -0.47 -1.52 0.00 0.00 175.55 173.93 2xfk s TYR 113 N -3.87 2.86 -0.55 -3.49 5.04 0.18 -4.95 117.35 112.56 2xfk s TYR 113 Ca 0.09 0.95 -0.10 0.00 -2.44 0.00 0.00 57.07 55.57 2xfk s TYR 113 Cb -0.02 -3.55 0.14 0.00 0.35 0.00 0.00 41.96 38.88 2xfk s TYR 113 CO -0.02 -1.96 0.44 -0.65 -1.34 0.00 0.00 175.55 172.02 2xfk s GLN 114 N 2.94 2.73 0.31 4.97 -0.21 -1.26 -4.43 119.66 124.72 2xfk s GLN 114 Ca 0.59 -1.96 0.01 0.00 0.02 0.00 0.00 55.36 54.01 2xfk s GLN 114 Cb -0.26 -4.03 0.51 0.00 1.00 0.00 0.00 33.01 30.24 2xfk s GLN 114 CO 0.21 -1.23 1.90 0.00 -2.12 0.00 0.00 175.29 174.05 2xfk h ARG 115 N 8.23 0.78 0.00 2.91 3.08 -1.94 -2.32 114.38 125.12 2xfk h ARG 115 Ca -0.15 -0.12 -0.00 0.00 0.07 0.00 0.00 59.98 59.78 2xfk h ARG 115 Cb 1.06 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.97 2xfk h ARG 115 CO 0.85 0.65 -0.01 -0.56 -1.07 0.00 0.00 179.97 179.83 2xfk h GLN 116 N 0.77 0.00 -0.01 0.04 -0.00 -2.01 -1.87 115.11 112.04 2xfk h GLN 116 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.83 2xfk h GLN 116 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.65 2xfk h GLN 116 CO -0.02 0.01 -0.25 1.28 -0.00 0.00 0.00 178.83 179.85 2xfk n LEU 117 N -3.44 0.90 -4.39 0.06 4.77 -0.87 -4.82 117.00 109.21 2xfk n LEU 117 Ca -0.03 -0.20 -0.38 0.00 -0.03 0.00 0.00 56.01 55.37 2xfk n LEU 117 Cb 0.10 -0.14 -0.12 0.00 -2.33 0.00 0.00 43.42 40.92 2xfk n LEU 117 CO 0.24 0.17 -0.22 -0.55 -1.33 0.00 0.00 177.39 175.70 2xfk s SER 118 N -2.54 5.42 0.52 -1.43 0.15 -0.70 -4.22 113.70 110.90 2xfk s SER 118 Ca 0.24 -0.67 0.32 0.00 0.70 0.00 0.00 55.95 56.53 2xfk s SER 118 Cb 0.19 -1.96 1.21 0.00 -1.71 0.00 0.00 66.02 63.75 2xfk s SER 118 CO 0.53 -0.22 1.92 0.77 1.20 0.00 0.00 173.24 177.44 2xfk h SER 119 N 8.32 0.00 0.32 5.45 4.64 -1.58 -3.00 113.55 127.70 2xfk h SER 119 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 2xfk h SER 119 Cb 1.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.22 2xfk h SER 119 CO 0.62 0.00 -0.72 0.35 -0.87 0.00 0.00 176.83 176.21 2xfk n THR 120 N -3.04 0.02 -1.70 2.95 -2.24 -1.26 -4.92 114.28 104.08 2xfk n THR 120 Ca 0.01 -0.02 -0.44 0.00 -2.27 0.00 0.00 64.05 61.33 2xfk n THR 120 Cb 0.33 0.50 -0.02 0.00 -2.10 0.00 0.00 70.33 69.04 2xfk n THR 120 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2xfk n TYR 121 N -1.55 2.39 -3.95 4.78 9.36 -1.14 -4.58 117.16 122.48 2xfk n TYR 121 Ca 0.05 0.38 -0.28 0.00 3.32 0.00 0.00 57.90 61.36 2xfk n TYR 121 Cb 0.34 -2.50 -0.17 0.00 -0.63 0.00 0.00 39.34 36.38 2xfk n TYR 121 CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 2xfk s ARG 122 N -0.46 1.83 0.08 2.98 3.00 -0.15 -4.99 118.95 121.23 2xfk s ARG 122 Ca 0.67 -0.41 -0.31 0.00 -1.00 0.00 0.00 55.73 54.68 2xfk s ARG 122 Cb -0.60 -1.84 -0.06 0.00 0.00 0.00 0.00 34.95 32.45 2xfk s ARG 122 CO 0.49 -0.27 1.24 0.34 0.00 0.00 0.00 175.30 177.10 2xfk s ASP 123 N 1.61 7.02 0.00 -2.12 2.15 -1.26 -0.42 116.67 123.65 2xfk s ASP 123 Ca 0.04 2.10 0.27 0.00 0.43 0.00 0.00 52.55 55.40 2xfk s ASP 123 Cb -0.13 -2.58 0.82 0.00 -0.30 0.00 0.00 42.92 40.73 2xfk s ASP 123 CO -0.09 -0.51 1.61 0.18 -0.17 0.00 0.00 175.17 176.19 2xfk n LEU 124 N 3.84 1.43 -3.60 -1.34 4.77 -0.34 -4.93 117.00 116.82 2xfk n LEU 124 Ca 0.09 -0.45 -0.21 0.00 -0.03 0.00 0.00 56.01 55.42 2xfk n LEU 124 Cb 0.45 -0.05 0.06 0.00 -2.33 0.00 0.00 43.42 41.55 2xfk n LEU 124 CO 0.56 0.25 0.05 0.54 -1.33 0.00 0.00 177.39 177.47 2xfk n ARG 125 N -0.10 -5.99 -3.67 3.23 1.74 -1.25 -4.99 116.66 105.63 2xfk n ARG 125 Ca 0.15 0.73 -0.09 0.00 -0.77 0.00 0.00 57.85 57.87 2xfk n ARG 125 Cb 0.37 -5.56 -0.09 0.00 -1.02 0.00 0.00 32.46 26.16 2xfk n ARG 125 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2xfk s LYS 126 N -5.84 0.54 0.53 5.56 2.47 -1.26 -5.06 119.74 116.68 2xfk s LYS 126 Ca 0.13 0.96 -0.05 0.00 -1.56 0.00 0.00 55.97 55.46 2xfk s LYS 126 Cb -0.06 0.07 -0.01 0.00 -1.46 0.00 0.00 37.83 36.37 2xfk s LYS 126 CO 0.77 -0.15 0.83 0.20 0.16 0.00 0.00 175.35 177.17 2xfk s GLY 127 N 1.40 1.56 -0.08 5.54 0.00 -1.26 -0.53 107.32 113.94 2xfk s GLY 127 Ca -0.09 -0.65 -0.09 0.00 0.00 0.00 0.00 44.72 43.89 2xfk s GLY 127 CO -0.14 -0.43 0.26 0.54 0.00 0.00 0.00 173.10 173.33 2xfk s VAL 128 N -2.85 0.01 -0.09 1.40 0.11 -0.22 -4.83 120.40 113.93 2xfk s VAL 128 Ca 0.51 -0.09 0.03 0.00 -2.93 0.00 0.00 61.98 59.50 2xfk s VAL 128 Cb -0.10 -0.39 0.01 0.00 -1.53 0.00 0.00 36.38 34.36 2xfk s VAL 128 CO 0.44 -0.05 -0.19 -0.47 -3.33 0.00 0.00 175.10 171.51 2xfk s TYR 129 N -0.09 2.12 -0.14 1.54 5.04 -1.26 -1.07 117.35 123.48 2xfk s TYR 129 Ca -0.02 -0.87 -0.00 0.00 -2.44 0.00 0.00 57.07 53.73 2xfk s TYR 129 Cb -0.03 -1.46 0.03 0.00 0.35 0.00 0.00 41.96 40.86 2xfk s TYR 129 CO 0.01 -0.39 -0.08 0.08 -1.34 0.00 0.00 175.55 173.83 2xfk s VAL 130 N 0.54 1.20 -0.17 3.14 1.01 -0.21 -4.90 120.40 121.02 2xfk s VAL 130 Ca -0.16 -0.52 -0.07 0.00 0.00 0.00 0.00 61.98 61.23 2xfk s VAL 130 Cb -0.17 -1.26 -0.04 0.00 0.00 0.00 0.00 36.38 34.91 2xfk s VAL 130 CO 0.06 0.29 0.07 -2.16 0.00 0.00 0.00 175.10 173.35 2xfk s PRO 131 N 1.62 3.86 0.49 2.72 0.04 -1.26 -1.73 135.00 140.74 2xfk s PRO 131 Ca 0.03 -0.32 0.07 0.00 0.04 0.00 0.00 61.00 60.83 2xfk s PRO 131 Cb -0.14 -3.20 0.02 0.00 0.04 0.00 0.00 34.50 31.22 2xfk s PRO 131 CO -0.08 0.36 0.44 0.71 0.04 0.00 0.00 177.00 178.47 2xfk s TYR 132 N 0.12 2.10 0.45 0.56 2.02 -0.15 -5.01 117.35 117.43 2xfk s TYR 132 Ca 0.06 -0.66 0.10 0.00 -0.37 0.00 0.00 57.07 56.20 2xfk s TYR 132 Cb -0.12 -2.07 1.00 0.00 -0.40 0.00 0.00 41.96 40.37 2xfk s TYR 132 CO 0.00 -0.40 2.08 1.79 -1.57 0.00 0.00 175.55 177.46 2xfk h THR 133 N 0.80 1.07 -3.21 -0.71 1.35 -1.99 -3.37 112.91 106.86 2xfk h THR 133 Ca -0.38 -0.16 -0.61 0.00 -0.55 0.00 0.00 66.41 64.71 2xfk h THR 133 Cb 1.28 0.73 -0.36 0.00 -1.73 0.00 0.00 68.15 68.07 2xfk h THR 133 CO 0.55 0.07 -0.83 -1.58 -0.25 0.00 0.00 175.52 173.49 2xfk s GLN 134 N -5.29 2.26 0.00 4.72 0.74 -1.26 -5.09 119.66 115.73 2xfk s GLN 134 Ca -0.07 -0.66 0.00 0.00 0.05 0.00 0.00 55.36 54.68 2xfk s GLN 134 Cb 0.17 -2.23 0.00 0.00 1.10 0.00 0.00 33.01 32.06 2xfk s GLN 134 CO 0.71 -0.29 0.00 0.41 -0.55 0.00 0.00 175.29 175.57 2xfk n GLY 135 N 4.74 -0.95 3.46 2.59 0.00 -1.23 -4.84 105.19 108.96 2xfk n GLY 135 Ca -0.16 -1.64 -0.15 0.00 0.00 0.00 0.00 46.02 44.07 2xfk n GLY 135 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2xfk s LYS 136 N -2.41 1.17 0.12 1.61 -2.85 -0.82 -0.98 119.74 115.59 2xfk s LYS 136 Ca 0.00 -0.13 -0.11 0.00 -1.00 0.00 0.00 55.97 54.73 2xfk s LYS 136 Cb 0.00 0.54 0.01 0.00 -2.06 0.00 0.00 37.83 36.32 2xfk s LYS 136 CO 0.00 -0.45 0.28 1.67 0.10 0.00 0.00 175.35 176.96 2xfk s TRP 137 N -2.53 0.11 0.07 1.78 1.48 -0.70 -0.70 118.94 118.44 2xfk s TRP 137 Ca -0.05 -0.50 0.04 0.00 -1.06 0.00 0.00 56.10 54.54 2xfk s TRP 137 Cb -0.01 0.04 -0.03 0.00 -1.16 0.00 0.00 33.47 32.32 2xfk s TRP 137 CO -0.02 -0.65 -0.11 -1.83 -4.06 0.00 0.00 176.95 170.28 2xfk s GLU 138 N -3.87 0.74 0.02 3.25 -1.05 -0.19 -1.04 118.70 116.56 2xfk s GLU 138 Ca 0.08 -0.95 -0.02 0.00 -0.15 0.00 0.00 54.97 53.94 2xfk s GLU 138 Cb 0.03 -0.61 0.01 0.00 -0.44 0.00 0.00 34.13 33.12 2xfk s GLU 138 CO -0.08 0.12 0.08 0.41 0.95 0.00 0.00 175.26 176.74 2xfk n GLY 139 N 1.17 1.41 3.38 -3.83 0.00 -0.23 -1.00 105.19 106.09 2xfk n GLY 139 Ca -0.20 -0.96 -0.33 0.00 0.00 0.00 0.00 46.02 44.53 2xfk n GLY 139 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2xfk s GLU 140 N -2.00 3.16 0.26 1.61 2.56 -0.59 -1.06 118.70 122.63 2xfk s GLU 140 Ca 0.02 -0.71 -0.27 0.00 0.00 0.00 0.00 54.97 54.01 2xfk s GLU 140 Cb -0.00 -2.54 -0.09 0.00 2.00 0.00 0.00 34.13 33.49 2xfk s GLU 140 CO 0.01 0.30 0.89 -0.51 -0.56 0.00 0.00 175.26 175.39 2xfk s LEU 141 N 0.11 4.49 0.00 2.70 1.43 0.31 -0.88 118.68 126.83 2xfk s LEU 141 Ca -0.07 1.80 -0.06 0.00 -1.03 0.00 0.00 54.13 54.77 2xfk s LEU 141 Cb -0.15 -3.72 0.03 0.00 0.03 0.00 0.00 46.19 42.38 2xfk s LEU 141 CO 0.05 0.06 0.38 0.61 0.23 0.00 0.00 176.35 177.68 2xfk n GLY 142 N 1.06 1.69 3.22 -3.19 0.00 -0.64 -1.20 105.19 106.13 2xfk n GLY 142 Ca -0.01 -1.21 -0.16 0.00 0.00 0.00 0.00 46.02 44.64 2xfk n GLY 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2xfk s THR 143 N -2.55 1.15 0.23 2.61 -4.23 0.45 -0.75 115.64 112.54 2xfk s THR 143 Ca 0.10 -1.75 -0.22 0.00 -1.18 0.00 0.00 61.69 58.63 2xfk s THR 143 Cb -0.02 -1.52 0.06 0.00 1.34 0.00 0.00 72.50 72.35 2xfk s THR 143 CO 0.07 -0.54 0.90 -0.62 -0.54 0.00 0.00 174.62 173.89 2xfk s ASP 144 N -2.59 -0.12 0.14 3.99 -1.08 -0.84 -0.98 116.67 115.19 2xfk s ASP 144 Ca 0.09 -0.65 -0.26 0.00 -0.52 0.00 0.00 52.55 51.21 2xfk s ASP 144 Cb -0.03 0.61 -0.07 0.00 -1.46 0.00 0.00 42.92 41.97 2xfk s ASP 144 CO 0.01 -1.16 0.81 -0.76 0.52 0.00 0.00 175.17 174.59 2xfk s LEU 145 N -3.06 4.56 -0.01 -1.34 1.43 -1.26 -1.32 118.68 117.68 2xfk s LEU 145 Ca 0.15 1.65 0.02 0.00 -1.03 0.00 0.00 54.13 54.92 2xfk s LEU 145 Cb -0.03 -3.34 -0.00 0.00 0.03 0.00 0.00 46.19 42.84 2xfk s LEU 145 CO 0.06 0.14 -0.08 -0.69 0.23 0.00 0.00 176.35 176.01 2xfk s VAL 146 N -0.80 0.63 0.16 -1.59 1.01 0.12 -1.16 120.40 118.77 2xfk s VAL 146 Ca 0.38 -0.32 0.01 0.00 0.00 0.00 0.00 61.98 62.05 2xfk s VAL 146 Cb -0.23 -0.54 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 2xfk s VAL 146 CO 0.26 0.19 0.00 -0.44 0.00 0.00 0.00 175.10 175.12 2xfk s SER 147 N -0.05 1.06 -0.36 3.32 0.01 -0.59 -1.50 113.70 115.58 2xfk s SER 147 Ca 0.01 -1.16 0.01 0.00 1.31 0.00 0.00 55.95 56.12 2xfk s SER 147 Cb -0.05 0.14 0.11 0.00 0.21 0.00 0.00 66.02 66.44 2xfk s SER 147 CO -0.00 -0.59 0.14 -0.63 0.41 0.00 0.00 173.24 172.57 2xfk s ILE 148 N -3.72 1.23 0.30 1.44 1.01 -1.26 -0.98 121.20 119.22 2xfk s ILE 148 Ca 0.23 -1.92 0.05 0.00 0.00 0.00 0.00 60.65 59.01 2xfk s ILE 148 Cb 0.06 -1.90 0.29 0.00 0.01 0.00 0.00 42.46 40.92 2xfk s ILE 148 CO 0.03 -0.75 1.71 -0.65 0.00 0.00 0.00 174.94 175.28 2xfk h PRO 149 N 7.55 0.44 -0.77 2.79 0.11 -1.90 -0.85 132.00 139.38 2xfk h PRO 149 Ca -0.08 -0.03 -0.49 0.00 0.11 0.00 0.00 66.00 65.52 2xfk h PRO 149 Cb 0.98 -0.10 -0.27 0.00 0.11 0.00 0.00 31.00 31.72 2xfk h PRO 149 CO 0.48 0.29 0.20 0.72 -0.21 0.00 0.00 178.00 179.48 2xfk n HIS 150 N -5.00 2.51 -2.63 0.65 8.25 -1.26 -4.93 115.22 112.81 2xfk n HIS 150 Ca 0.23 -2.26 0.00 0.00 -0.26 0.00 0.00 57.72 55.43 2xfk n HIS 150 Cb 0.68 -0.86 0.00 0.00 1.12 0.00 0.00 29.99 30.93 2xfk n HIS 150 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2xfk n GLY 151 N -0.97 6.36 3.75 -1.41 0.00 -0.33 -4.22 105.19 108.38 2xfk n GLY 151 Ca 0.50 -1.76 -0.39 0.00 0.00 0.00 0.00 46.02 44.36 2xfk n GLY 151 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2xfk n PRO 152 N 0.00 1.99 -2.46 1.61 -0.05 -1.26 -4.88 135.00 129.95 2xfk n PRO 152 Ca 0.00 0.72 -0.43 0.00 -0.05 0.00 0.00 63.50 63.74 2xfk n PRO 152 Cb 0.00 -2.61 0.00 0.00 -0.05 0.00 0.00 33.50 30.85 2xfk n PRO 152 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 175.50 176.49 2xfk n GLN 153 N -0.58 3.57 -4.15 0.54 1.13 -1.26 -4.56 117.38 112.07 2xfk n GLN 153 Ca 0.08 -3.59 -0.10 0.00 -1.94 0.00 0.00 57.00 51.45 2xfk n GLN 153 Cb 0.43 -2.95 -0.10 0.00 0.11 0.00 0.00 30.24 27.73 2xfk n GLN 153 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 2xfk s VAL 154 N 0.64 0.61 -0.07 5.09 -7.23 -1.26 -5.14 120.40 113.05 2xfk s VAL 154 Ca 0.40 -1.88 0.04 0.00 -1.81 0.00 0.00 61.98 58.73 2xfk s VAL 154 Cb 0.07 -1.61 0.00 0.00 0.56 0.00 0.00 36.38 35.41 2xfk s VAL 154 CO 0.00 -0.87 -0.18 -0.89 -0.31 0.00 0.00 175.10 172.85 2xfk s THR 155 N -3.56 1.55 0.08 5.32 2.01 -1.26 -4.40 115.64 115.37 2xfk s THR 155 Ca 0.10 -0.75 0.06 0.00 0.31 0.00 0.00 61.69 61.41 2xfk s THR 155 Cb 0.05 -1.35 -0.03 0.00 0.01 0.00 0.00 72.50 71.18 2xfk s THR 155 CO -0.05 0.44 -0.15 0.68 -0.69 0.00 0.00 174.62 174.85 2xfk s VAL 156 N 0.30 1.20 -0.17 3.82 -7.23 -0.56 -4.93 120.40 112.83 2xfk s VAL 156 Ca -0.11 -1.40 -0.19 0.00 -1.81 0.00 0.00 61.98 58.47 2xfk s VAL 156 Cb -0.15 -1.20 -0.03 0.00 0.56 0.00 0.00 36.38 35.56 2xfk s VAL 156 CO 0.05 -0.25 0.52 -0.60 -0.31 0.00 0.00 175.10 174.51 2xfk s ARG 157 N -1.93 4.25 0.04 4.82 3.52 -1.26 0.12 118.95 128.52 2xfk s ARG 157 Ca 0.01 0.45 -0.00 0.00 -0.13 0.00 0.00 55.73 56.06 2xfk s ARG 157 Cb -0.09 -3.52 -0.03 0.00 -1.56 0.00 0.00 34.95 29.75 2xfk s ARG 157 CO 0.03 -0.05 -0.03 0.00 -0.81 0.00 0.00 175.30 174.43 2xfk s ALA 158 N 1.29 0.40 0.32 6.12 0.00 -0.43 -4.91 121.76 124.54 2xfk s ALA 158 Ca 0.25 -0.98 -0.29 0.00 0.00 0.00 0.00 51.96 50.94 2xfk s ALA 158 Cb -0.15 0.21 -0.11 0.00 0.00 0.00 0.00 23.12 23.07 2xfk s ALA 158 CO 0.10 -0.27 1.43 -0.80 0.00 0.00 0.00 175.76 176.22 2xfk s ASN 159 N -2.36 6.57 -0.03 0.00 0.01 -1.26 -1.99 114.94 115.88 2xfk s ASN 159 Ca -0.02 2.82 0.00 0.00 -0.71 0.00 0.00 52.86 54.96 2xfk s ASN 159 Cb 0.01 -2.65 0.03 0.00 0.41 0.00 0.00 41.25 39.05 2xfk s ASN 159 CO -0.06 -0.72 0.00 -0.63 -1.51 0.00 0.00 177.10 174.17 2xfk s ILE 160 N -0.67 0.17 -0.26 0.60 1.01 0.07 -4.67 121.20 117.45 2xfk s ILE 160 Ca 0.55 0.08 -0.17 0.00 0.00 0.00 0.00 60.65 61.11 2xfk s ILE 160 Cb -0.43 -0.26 -0.03 0.00 0.01 0.00 0.00 42.46 41.75 2xfk s ILE 160 CO 0.52 0.14 0.47 0.00 0.00 0.00 0.00 174.94 176.07 2xfk s ALA 161 N 0.96 3.58 -0.53 9.38 0.00 -0.21 -1.62 121.76 133.31 2xfk s ALA 161 Ca -0.10 -0.65 -0.22 0.00 0.00 0.00 0.00 51.96 50.99 2xfk s ALA 161 Cb -0.13 -2.81 0.05 0.00 0.00 0.00 0.00 23.12 20.23 2xfk s ALA 161 CO -0.02 -0.67 0.81 0.00 0.00 0.00 0.00 175.76 175.89 2xfk s ALA 162 N 2.13 3.25 -0.14 0.00 0.00 -0.06 -1.22 121.76 125.72 2xfk s ALA 162 Ca 0.19 -1.46 -0.29 0.00 0.00 0.00 0.00 51.96 50.40 2xfk s ALA 162 Cb -0.16 -3.58 -0.02 0.00 0.00 0.00 0.00 23.12 19.36 2xfk s ALA 162 CO 0.09 -2.24 1.37 0.42 0.00 0.00 0.00 175.76 175.40 2xfk s ILE 163 N 3.40 4.09 -0.04 0.00 1.01 0.39 -1.54 121.20 128.52 2xfk s ILE 163 Ca 0.24 1.32 0.12 0.00 0.00 0.00 0.00 60.65 62.33 2xfk s ILE 163 Cb -0.15 -3.86 -0.18 0.00 0.01 0.00 0.00 42.46 38.28 2xfk s ILE 163 CO 0.16 -0.12 0.22 0.35 0.00 0.00 0.00 174.94 175.55 2xfk n THR 164 N 5.42 0.16 -3.90 2.92 -2.24 -0.17 -1.34 114.28 115.14 2xfk n THR 164 Ca 0.15 -0.32 -0.10 0.00 -2.27 0.00 0.00 64.05 61.50 2xfk n THR 164 Cb 0.44 0.03 -0.10 0.00 -2.10 0.00 0.00 70.33 68.60 2xfk n THR 164 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2xfk s GLU 165 N -2.73 0.49 0.17 -0.78 2.02 -1.03 -4.88 118.70 111.97 2xfk s GLU 165 Ca -0.05 -0.53 -0.18 0.00 0.02 0.00 0.00 54.97 54.23 2xfk s GLU 165 Cb 0.07 0.20 0.04 0.00 0.10 0.00 0.00 34.13 34.53 2xfk s GLU 165 CO 0.50 -0.12 0.50 -1.54 0.02 0.00 0.00 175.26 174.62 2xfk s SER 166 N -1.61 -0.30 -0.13 -0.19 1.04 -1.26 -1.02 113.70 110.23 2xfk s SER 166 Ca -0.12 -0.37 -0.04 0.00 0.48 0.00 0.00 55.95 55.90 2xfk s SER 166 Cb -0.06 0.55 0.06 0.00 0.10 0.00 0.00 66.02 66.67 2xfk s SER 166 CO -0.01 -0.99 0.11 -0.62 0.98 0.00 0.00 173.24 172.71 2xfk s ASP 167 N -2.84 1.75 -1.47 7.02 2.15 0.12 -4.88 116.67 118.51 2xfk s ASP 167 Ca 0.06 -0.29 -0.04 0.00 0.43 0.00 0.00 52.55 52.72 2xfk s ASP 167 Cb -0.00 -0.08 0.02 0.00 -0.30 0.00 0.00 42.92 42.55 2xfk s ASP 167 CO -0.07 -0.31 0.35 0.29 -0.17 0.00 0.00 175.17 175.27 2xfk n LYS 168 N 5.29 -3.48 -0.05 4.34 5.02 -1.26 -1.94 118.16 126.08 2xfk n LYS 168 Ca -0.06 0.80 -0.05 0.00 -2.02 0.00 0.00 58.31 56.98 2xfk n LYS 168 Cb 0.49 -5.54 -0.02 0.00 -0.02 0.00 0.00 35.03 29.94 2xfk n LYS 168 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2xfk n PHE 169 N -4.11 0.01 -1.94 2.13 7.35 -1.26 -3.55 117.46 116.10 2xfk n PHE 169 Ca -0.13 0.01 -0.40 0.00 -0.76 0.00 0.00 57.45 56.17 2xfk n PHE 169 Cb 0.62 -0.27 0.01 0.00 0.35 0.00 0.00 39.48 40.18 2xfk n PHE 169 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 2xfk s PHE 170 N -1.99 2.65 -0.13 -5.13 0.40 -1.26 -4.98 117.98 107.54 2xfk s PHE 170 Ca -0.15 1.35 0.01 0.00 -0.60 0.00 0.00 56.93 57.54 2xfk s PHE 170 Cb 0.02 -3.78 -0.01 0.00 0.51 0.00 0.00 43.02 39.77 2xfk s PHE 170 CO 0.22 -2.47 -0.17 0.42 0.70 0.00 0.00 175.22 173.92 2xfk s ILE 171 N -1.24 2.59 0.06 0.64 1.01 -1.26 -5.02 121.20 117.99 2xfk s ILE 171 Ca 0.59 -0.82 -0.30 0.00 0.00 0.00 0.00 60.65 60.12 2xfk s ILE 171 Cb -0.40 -2.06 -0.09 0.00 0.01 0.00 0.00 42.46 39.92 2xfk s ILE 171 CO 0.52 0.53 1.79 -1.58 0.00 0.00 0.00 174.94 176.20 2xfk s GLN 172 N 0.48 4.16 -0.20 2.79 0.74 -1.26 -2.40 119.66 123.97 2xfk s GLN 172 Ca -0.12 2.47 0.00 0.00 0.05 0.00 0.00 55.36 57.76 2xfk s GLN 172 Cb -0.16 -3.79 0.00 0.00 1.10 0.00 0.00 33.01 30.16 2xfk s GLN 172 CO 0.05 -0.84 0.00 0.41 -0.55 0.00 0.00 175.29 174.36 2xfk n GLY 173 N 4.23 0.54 0.19 2.59 0.00 -1.26 -4.94 105.19 106.54 2xfk n GLY 173 Ca 0.18 -0.50 0.07 0.00 0.00 0.00 0.00 46.02 45.77 2xfk n GLY 173 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2xfk h SER 174 N 0.00 0.00 -0.13 1.61 4.64 -1.82 -3.48 113.55 114.38 2xfk h SER 174 Ca -0.04 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.23 2xfk h SER 174 Cb 0.20 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.27 2xfk h SER 174 CO 0.06 0.28 -0.05 0.59 -0.87 0.00 0.00 176.83 176.84 2xfk n ASN 175 N -3.23 -4.12 -4.39 4.97 3.02 -1.26 -4.57 115.26 105.68 2xfk n ASN 175 Ca 0.02 0.07 -0.27 0.00 -0.03 0.00 0.00 54.58 54.37 2xfk n ASN 175 Cb 0.59 -1.86 -0.12 0.00 -0.61 0.00 0.00 39.78 37.78 2xfk n ASN 175 CO 0.00 0.00 0.00 -1.66 -2.62 0.00 0.00 177.26 172.98 2xfk s TRP 176 N -1.83 2.21 0.00 3.10 1.48 -1.26 -4.63 118.94 118.01 2xfk s TRP 176 Ca 0.00 -0.38 0.00 0.00 -1.06 0.00 0.00 56.10 54.66 2xfk s TRP 176 Cb 0.00 -1.15 0.00 0.00 -1.16 0.00 0.00 33.47 31.16 2xfk s TRP 176 CO 0.00 0.38 0.47 0.39 -4.06 0.00 0.00 176.95 174.13 2xfk n GLU 177 N 0.65 -0.22 -3.86 3.25 4.71 0.45 -4.89 120.64 120.73 2xfk n GLU 177 Ca -0.16 -0.54 -0.06 0.00 -0.01 0.00 0.00 57.16 56.40 2xfk n GLU 177 Cb 0.54 -0.88 0.02 0.00 -1.01 0.00 0.00 31.44 30.12 2xfk n GLU 177 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 2xfk s GLY 178 N -0.14 0.27 -0.01 0.62 0.00 -1.09 -0.60 107.32 106.38 2xfk s GLY 178 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 44.72 44.14 2xfk s GLY 178 CO 0.00 1.34 -0.01 -1.50 0.00 0.00 0.00 173.10 172.93 2xfk s ILE 179 N -2.09 0.10 -0.42 0.90 2.07 0.39 -0.40 121.20 121.75 2xfk s ILE 179 Ca 0.20 -0.01 -0.03 0.00 -1.41 0.00 0.00 60.65 59.40 2xfk s ILE 179 Cb -0.04 -0.12 0.11 0.00 0.13 0.00 0.00 42.46 42.55 2xfk s ILE 179 CO 0.09 0.05 0.22 -0.22 -1.91 0.00 0.00 174.94 173.17 2xfk s LEU 180 N 0.24 5.23 -0.38 8.50 2.96 0.79 -1.38 118.68 134.64 2xfk s LEU 180 Ca -0.02 -2.11 -0.29 0.00 -0.22 0.00 0.00 54.13 51.49 2xfk s LEU 180 Cb -0.04 -1.82 0.01 0.00 0.50 0.00 0.00 46.19 44.84 2xfk s LEU 180 CO -0.01 -0.52 1.36 -0.83 -1.32 0.00 0.00 176.35 175.03 2xfk s GLY 181 N 1.69 1.21 0.00 7.98 0.00 -0.36 -1.26 107.32 116.59 2xfk s GLY 181 Ca 0.09 -0.09 0.24 0.00 0.00 0.00 0.00 44.72 44.96 2xfk s GLY 181 CO -0.04 2.68 1.38 1.04 0.00 0.00 0.00 173.10 178.16 2xfk n LEU 182 N 8.34 2.97 0.00 0.66 4.77 0.44 -4.24 117.00 129.94 2xfk n LEU 182 Ca 0.16 -1.14 -0.11 0.00 -0.03 0.00 0.00 56.01 54.88 2xfk n LEU 182 Cb 0.48 -0.12 0.07 0.00 -2.33 0.00 0.00 43.42 41.52 2xfk n LEU 182 CO 0.68 0.57 0.31 0.00 -1.33 0.00 0.00 177.39 177.62 2xfk n ALA 183 N 1.23 -0.40 -2.12 -1.18 0.00 0.07 -4.94 120.51 113.18 2xfk n ALA 183 Ca 0.17 -0.72 -0.26 0.00 0.00 0.00 0.00 53.44 52.62 2xfk n ALA 183 Cb 0.56 0.02 0.03 0.00 0.00 0.00 0.00 19.45 20.05 2xfk n ALA 183 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2xfk s TYR 184 N -1.83 3.28 0.48 0.00 1.51 -0.31 -4.64 117.35 115.85 2xfk s TYR 184 Ca 0.29 0.62 0.18 0.00 -1.01 0.00 0.00 57.07 57.15 2xfk s TYR 184 Cb -0.01 -2.65 1.19 0.00 -0.11 0.00 0.00 41.96 40.38 2xfk s TYR 184 CO 0.20 -0.72 2.01 0.00 -1.11 0.00 0.00 175.55 175.93 2xfk h ALA 185 N -0.07 2.18 -0.61 3.71 0.00 -1.88 -2.61 119.26 119.97 2xfk h ALA 185 Ca -0.46 -0.01 0.18 0.00 0.00 0.00 0.00 54.91 54.62 2xfk h ALA 185 Cb 1.25 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.99 2xfk h ALA 185 CO 0.60 -0.30 0.50 0.93 0.00 0.00 0.00 179.25 180.99 2xfk h GLU 186 N 0.20 0.00 -0.47 0.00 4.39 -1.87 -0.45 114.58 116.39 2xfk h GLU 186 Ca 0.22 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.92 2xfk h GLU 186 Cb 0.62 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 2xfk h GLU 186 CO -0.04 0.00 0.00 0.44 -1.16 0.00 0.00 179.01 178.25 2xfk n ILE 187 N -4.08 1.18 -2.26 3.13 -5.35 -0.98 -4.70 119.36 106.29 2xfk n ILE 187 Ca 0.12 -1.09 -0.37 0.00 -0.27 0.00 0.00 62.75 61.14 2xfk n ILE 187 Cb 0.74 0.41 -0.01 0.00 -1.74 0.00 0.00 39.64 39.04 2xfk n ILE 187 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2xfk s ALA 188 N -1.22 2.96 0.03 -1.28 0.00 -0.18 -4.61 121.76 117.46 2xfk s ALA 188 Ca 0.34 0.92 0.01 0.00 0.00 0.00 0.00 51.96 53.23 2xfk s ALA 188 Cb 0.19 -3.38 -0.04 0.00 0.00 0.00 0.00 23.12 19.89 2xfk s ALA 188 CO 0.21 -0.65 0.07 1.03 0.00 0.00 0.00 175.76 176.42 2xfk s ARG 189 N -2.73 2.96 0.40 0.00 1.81 -1.26 -3.06 118.95 117.07 2xfk s ARG 189 Ca 0.64 -0.58 0.18 0.00 -1.72 0.00 0.00 55.73 54.25 2xfk s ARG 189 Cb -0.28 -2.79 0.84 0.00 -0.45 0.00 0.00 34.95 32.27 2xfk s ARG 189 CO 0.34 0.61 1.83 -1.35 -0.68 0.00 0.00 175.30 176.05 2xfk h PRO 190 N 3.77 0.00 0.00 3.54 0.11 -1.90 -3.47 132.00 134.05 2xfk h PRO 190 Ca -0.48 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.64 2xfk h PRO 190 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2xfk h PRO 190 CO 0.63 0.33 0.33 -0.40 -0.21 0.00 0.00 178.00 178.68 2xfk n ASP 191 N -3.77 -2.10 0.00 -2.05 3.85 -1.17 -5.05 116.55 106.26 2xfk n ASP 191 Ca -0.01 -2.40 0.07 0.00 -0.71 0.00 0.00 54.79 51.74 2xfk n ASP 191 Cb 0.42 3.49 0.44 0.00 -1.35 0.00 0.00 41.12 44.12 2xfk n ASP 191 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 2xfk n ASP 192 N -1.46 0.00 -0.00 -1.12 5.68 -1.25 -2.28 116.55 116.11 2xfk n ASP 192 Ca -0.07 -0.57 0.14 0.00 -0.50 0.00 0.00 54.79 53.79 2xfk n ASP 192 Cb 0.57 0.00 0.65 0.00 -1.14 0.00 0.00 41.12 41.19 2xfk n ASP 192 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2xfk n SER 193 N -0.95 0.03 -4.43 -1.12 3.41 -1.26 -4.60 113.62 104.70 2xfk n SER 193 Ca 0.11 0.26 -0.44 0.00 -0.26 0.00 0.00 58.87 58.55 2xfk n SER 193 Cb 0.05 -0.40 -0.04 0.00 -0.26 0.00 0.00 64.21 63.56 2xfk n SER 193 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2xfk s LEU 194 N -2.87 4.70 0.06 1.04 2.96 -0.97 -4.99 118.68 118.62 2xfk s LEU 194 Ca 0.18 -1.21 -0.32 0.00 -0.22 0.00 0.00 54.13 52.56 2xfk s LEU 194 Cb 0.19 -2.39 -0.11 0.00 0.50 0.00 0.00 46.19 44.38 2xfk s LEU 194 CO 0.52 -1.33 1.82 1.21 -1.32 0.00 0.00 176.35 177.25 2xfk n GLU 195 N 7.26 2.51 -1.41 1.98 2.13 -1.26 -4.89 120.64 126.97 2xfk n GLU 195 Ca -0.02 0.92 -0.32 0.00 0.66 0.00 0.00 57.16 58.39 2xfk n GLU 195 Cb 0.45 -2.78 0.08 0.00 0.27 0.00 0.00 31.44 29.46 2xfk n GLU 195 CO 0.00 0.00 0.00 -2.14 -0.41 0.00 0.00 177.13 174.58 2xfk s PRO 196 N 3.00 2.37 0.20 5.31 0.02 -1.26 -4.54 135.00 140.09 2xfk s PRO 196 Ca 0.85 1.29 -0.11 0.00 0.02 0.00 0.00 61.00 63.05 2xfk s PRO 196 Cb -0.57 -1.90 0.25 0.00 0.02 0.00 0.00 34.50 32.30 2xfk s PRO 196 CO 0.42 -1.57 1.69 0.35 -0.33 0.00 0.00 177.00 177.56 2xfk h PHE 197 N -0.73 0.08 -0.32 6.54 3.57 -1.82 -2.42 116.94 121.84 2xfk h PHE 197 Ca -0.45 0.04 -0.12 0.00 3.53 0.00 0.00 57.97 60.97 2xfk h PHE 197 Cb 1.24 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 40.02 2xfk h PHE 197 CO 0.56 -0.08 -0.28 0.35 -2.23 0.00 0.00 178.31 176.62 2xfk h PHE 198 N 0.18 0.76 -0.62 0.41 3.57 -1.92 0.69 116.94 120.02 2xfk h PHE 198 Ca 0.29 -0.19 0.05 0.00 3.53 0.00 0.00 57.97 61.66 2xfk h PHE 198 Cb 0.44 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 38.95 2xfk h PHE 198 CO -0.29 0.87 0.34 -0.44 -2.23 0.00 0.00 178.31 176.56 2xfk h ASP 199 N 0.57 0.49 -0.42 0.41 3.32 -1.86 -0.09 116.42 118.84 2xfk h ASP 199 Ca 0.07 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 2xfk h ASP 199 Cb 0.78 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.24 2xfk h ASP 199 CO 0.06 0.33 0.11 0.28 -1.72 0.00 0.00 179.24 178.30 2xfk h SER 200 N 0.63 0.64 -0.51 6.45 0.02 -0.90 -0.61 113.55 119.26 2xfk h SER 200 Ca 0.28 -0.23 0.04 0.00 -0.84 0.00 0.00 61.79 61.04 2xfk h SER 200 Cb 0.17 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 2xfk h SER 200 CO -0.17 0.70 0.27 0.25 -1.14 0.00 0.00 176.83 176.73 2xfk h LEU 201 N 0.55 0.39 -0.25 5.07 5.85 -0.50 -0.60 115.31 125.82 2xfk h LEU 201 Ca 0.13 0.02 -0.09 0.00 0.84 0.00 0.00 57.88 58.79 2xfk h LEU 201 Cb 0.31 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 2xfk h LEU 201 CO 0.00 0.27 -0.21 0.58 -0.34 0.00 0.00 178.44 178.75 2xfk h VAL 202 N 0.52 1.31 -0.90 1.05 2.07 -0.81 -1.94 116.25 117.55 2xfk h VAL 202 Ca 0.22 -1.35 -0.01 0.00 0.82 0.00 0.00 66.70 66.38 2xfk h VAL 202 Cb 0.11 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.49 2xfk h VAL 202 CO -0.15 0.42 0.53 0.11 0.02 0.00 0.00 177.57 178.51 2xfk h LYS 203 N 0.28 1.23 0.00 1.57 1.57 -0.87 -3.25 116.57 117.11 2xfk h LYS 203 Ca 0.04 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2xfk h LYS 203 Cb 0.75 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 32.81 2xfk h LYS 203 CO 0.05 0.87 -1.11 1.04 -0.57 0.00 0.00 179.45 179.73 2xfk n GLN 204 N -4.35 0.52 -4.66 3.15 6.02 -0.25 -4.94 117.38 112.86 2xfk n GLN 204 Ca 0.10 0.05 -0.30 0.00 -0.01 0.00 0.00 57.00 56.84 2xfk n GLN 204 Cb 0.07 -1.72 -0.08 0.00 1.02 0.00 0.00 30.24 29.52 2xfk n GLN 204 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2xfk s THR 205 N -3.33 1.11 -2.06 5.09 -4.23 -0.73 -5.03 115.64 106.45 2xfk s THR 205 Ca -0.00 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 58.70 2xfk s THR 205 Cb 0.12 -2.35 0.52 0.00 1.34 0.00 0.00 72.50 72.12 2xfk s THR 205 CO 0.80 0.00 1.68 1.41 -0.54 0.00 0.00 174.62 177.97 2xfk n HIS 206 N -1.10 0.05 -1.72 3.99 8.25 -1.26 -4.76 115.22 118.65 2xfk n HIS 206 Ca -0.13 -0.02 -0.42 0.00 -0.26 0.00 0.00 57.72 56.89 2xfk n HIS 206 Cb 0.66 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.74 2xfk n HIS 206 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2xfk s VAL 207 N -1.95 2.05 0.65 1.59 1.01 -1.26 -4.92 120.40 117.56 2xfk s VAL 207 Ca 0.29 0.01 -0.18 0.00 0.00 0.00 0.00 61.98 62.11 2xfk s VAL 207 Cb 0.14 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.50 2xfk s VAL 207 CO 0.23 0.00 1.27 -2.84 0.00 0.00 0.00 175.10 173.76 2xfk s PRO 208 N 1.29 2.59 -1.50 2.72 0.02 -1.26 -4.76 135.00 134.09 2xfk s PRO 208 Ca 0.75 1.98 -0.11 0.00 0.02 0.00 0.00 61.00 63.65 2xfk s PRO 208 Cb -0.50 -1.86 0.00 0.00 0.02 0.00 0.00 34.50 32.17 2xfk s PRO 208 CO 0.32 -1.55 2.52 -1.71 -0.33 0.00 0.00 177.00 176.25 2xfk n ASN 209 N -1.93 6.37 -3.56 2.53 5.15 -1.26 -4.19 115.26 118.36 2xfk n ASN 209 Ca 0.15 -2.78 -0.17 0.00 -0.60 0.00 0.00 54.58 51.19 2xfk n ASN 209 Cb 0.49 -1.58 -0.06 0.00 -0.53 0.00 0.00 39.78 38.10 2xfk n ASN 209 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2xfk s LEU 210 N 0.78 -0.67 0.06 1.20 0.20 -1.26 -1.48 118.68 117.51 2xfk s LEU 210 Ca 0.56 0.95 -0.06 0.00 0.69 0.00 0.00 54.13 56.28 2xfk s LEU 210 Cb 0.16 2.50 -0.01 0.00 -0.43 0.00 0.00 46.19 48.40 2xfk s LEU 210 CO -0.07 -0.49 0.12 0.72 -0.29 0.00 0.00 176.35 176.35 2xfk s PHE 211 N -0.67 0.22 0.05 5.38 -0.71 -1.02 0.11 117.98 121.35 2xfk s PHE 211 Ca -0.07 -0.62 0.04 0.00 -1.04 0.00 0.00 56.93 55.24 2xfk s PHE 211 Cb -0.02 -0.14 -0.02 0.00 -1.21 0.00 0.00 43.02 41.63 2xfk s PHE 211 CO 0.07 -0.45 -0.12 -1.54 -1.34 0.00 0.00 175.22 171.84 2xfk s SER 212 N -2.58 1.38 -0.11 1.98 1.04 -0.07 0.13 113.70 115.47 2xfk s SER 212 Ca 0.01 -0.53 0.03 0.00 0.48 0.00 0.00 55.95 55.94 2xfk s SER 212 Cb 0.03 -0.04 0.01 0.00 0.10 0.00 0.00 66.02 66.12 2xfk s SER 212 CO -0.08 -0.08 -0.19 -0.76 0.98 0.00 0.00 173.24 173.10 2xfk s LEU 213 N -1.47 1.92 -0.40 2.42 1.43 0.68 -1.15 118.68 122.12 2xfk s LEU 213 Ca -0.03 -0.50 -0.02 0.00 -1.03 0.00 0.00 54.13 52.55 2xfk s LEU 213 Cb -0.09 -1.25 0.11 0.00 0.03 0.00 0.00 46.19 44.99 2xfk s LEU 213 CO 0.01 0.07 0.18 -1.58 0.23 0.00 0.00 176.35 175.27 2xfk s GLN 214 N 0.74 1.92 -0.19 1.70 0.74 0.22 -1.38 119.66 123.40 2xfk s GLN 214 Ca -0.11 -1.84 -0.15 0.00 0.05 0.00 0.00 55.36 53.32 2xfk s GLN 214 Cb -0.16 -3.52 -0.04 0.00 1.10 0.00 0.00 33.01 30.38 2xfk s GLN 214 CO 0.02 -1.05 0.33 -0.51 -0.55 0.00 0.00 175.29 173.53 2xfk s LEU 215 N 1.08 4.18 -0.01 3.68 1.43 -1.26 -0.62 118.68 127.15 2xfk s LEU 215 Ca 0.09 0.46 -0.02 0.00 -1.03 0.00 0.00 54.13 53.62 2xfk s LEU 215 Cb -0.22 -2.42 -0.01 0.00 0.03 0.00 0.00 46.19 43.57 2xfk s LEU 215 CO -0.05 -0.01 -0.04 0.00 0.23 0.00 0.00 176.35 176.48 2xfk n VAL 231 N -2.85 0.00 -2.57 0.00 0.31 0.15 -4.82 118.33 108.54 2xfk n VAL 231 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 2xfk n VAL 231 Cb 0.06 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.99 2xfk n VAL 231 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2xfk n GLY 232 N 0.00 2.95 0.00 2.92 0.00 -1.26 -1.99 105.19 107.81 2xfk n GLY 232 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 46.02 45.05 2xfk n GLY 232 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2xfk n GLY 233 N 0.00 -0.16 2.90 -0.02 0.00 -1.02 -4.70 105.19 102.19 2xfk n GLY 233 Ca 0.00 -1.35 -0.13 0.00 0.00 0.00 0.00 46.02 44.54 2xfk n GLY 233 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2xfk s SER 234 N -4.00 0.16 -0.23 1.61 0.01 0.21 -1.03 113.70 110.42 2xfk s SER 234 Ca 0.00 -0.04 -0.03 0.00 1.31 0.00 0.00 55.95 57.19 2xfk s SER 234 Cb 0.00 -0.01 0.01 0.00 0.21 0.00 0.00 66.02 66.23 2xfk s SER 234 CO 0.00 0.01 -0.06 -0.32 0.41 0.00 0.00 173.24 173.28 2xfk s MET 235 N -0.09 3.10 -0.31 12.44 1.75 -1.26 -0.61 119.30 134.33 2xfk s MET 235 Ca -0.00 -0.80 -0.10 0.00 -1.25 0.00 0.00 55.69 53.54 2xfk s MET 235 Cb -0.01 -2.98 -0.01 0.00 2.84 0.00 0.00 34.83 34.67 2xfk s MET 235 CO -0.00 -0.30 0.15 0.42 -0.65 0.00 0.00 175.02 174.64 2xfk s ILE 236 N 1.40 4.64 -0.17 10.11 -1.09 -0.30 -4.86 121.20 130.94 2xfk s ILE 236 Ca 0.03 -0.37 -0.13 0.00 -2.23 0.00 0.00 60.65 57.96 2xfk s ILE 236 Cb -0.15 -3.35 -0.05 0.00 -1.58 0.00 0.00 42.46 37.33 2xfk s ILE 236 CO -0.04 0.09 0.25 -0.63 -1.23 0.00 0.00 174.94 173.37 2xfk s ILE 237 N 1.62 5.34 0.00 2.92 1.01 -1.26 -0.89 121.20 129.94 2xfk s ILE 237 Ca 0.05 0.44 0.00 0.00 0.00 0.00 0.00 60.65 61.14 2xfk s ILE 237 Cb -0.17 -3.58 0.00 0.00 0.01 0.00 0.00 42.46 38.72 2xfk s ILE 237 CO 0.06 0.41 0.00 0.61 0.00 0.00 0.00 174.94 176.03 2xfk n GLY 238 N 3.37 0.75 1.31 6.18 0.00 0.12 -4.84 105.19 112.08 2xfk n GLY 238 Ca -0.13 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.90 2xfk n GLY 238 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2xfk n GLY 239 N -2.11 0.50 3.12 -0.02 0.00 -1.25 -4.40 105.19 101.04 2xfk n GLY 239 Ca 0.00 -0.90 -0.31 0.00 0.00 0.00 0.00 46.02 44.81 2xfk n GLY 239 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2xfk s ILE 240 N -2.11 1.80 -0.42 -0.61 1.01 -1.26 -4.26 121.20 115.34 2xfk s ILE 240 Ca 0.10 -0.82 -0.14 0.00 0.00 0.00 0.00 60.65 59.79 2xfk s ILE 240 Cb -0.00 -1.61 0.04 0.00 0.01 0.00 0.00 42.46 40.90 2xfk s ILE 240 CO -0.00 0.50 0.30 -0.62 0.00 0.00 0.00 174.94 175.12 2xfk s ASP 241 N 0.87 6.00 0.57 3.58 3.68 -1.26 -4.96 116.67 125.15 2xfk s ASP 241 Ca -0.07 -1.06 0.29 0.00 2.13 0.00 0.00 52.55 53.84 2xfk s ASP 241 Cb -0.15 -2.12 1.71 0.00 -1.45 0.00 0.00 42.92 40.90 2xfk s ASP 241 CO -0.01 -0.49 2.19 0.45 0.13 0.00 0.00 175.17 177.44 2xfk h HIS 242 N 8.60 0.00 0.00 -5.34 3.86 -1.99 -1.61 115.15 118.67 2xfk h HIS 242 Ca -0.27 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.94 2xfk h HIS 242 Cb 1.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.58 2xfk h HIS 242 CO 0.58 0.05 0.00 -1.13 0.86 0.00 0.00 177.93 178.28 2xfk n SER 243 N -3.74 0.39 -0.25 2.45 3.41 -1.26 -2.93 113.62 111.69 2xfk n SER 243 Ca -0.03 0.61 0.12 0.00 -0.26 0.00 0.00 58.87 59.32 2xfk n SER 243 Cb 0.14 -0.69 0.24 0.00 -0.26 0.00 0.00 64.21 63.64 2xfk n SER 243 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2xfk n LEU 244 N -1.95 1.18 -4.11 1.04 4.77 -0.60 -4.77 117.00 112.56 2xfk n LEU 244 Ca 0.02 -0.36 -0.10 0.00 -0.03 0.00 0.00 56.01 55.54 2xfk n LEU 244 Cb 0.16 -0.10 -0.09 0.00 -2.33 0.00 0.00 43.42 41.06 2xfk n LEU 244 CO 0.15 0.23 -0.17 -0.72 -1.33 0.00 0.00 177.39 175.55 2xfk s TYR 245 N -2.60 0.80 0.20 -1.77 1.13 -1.15 -0.95 117.35 113.01 2xfk s TYR 245 Ca 0.20 -1.13 0.07 0.00 -1.41 0.00 0.00 57.07 54.80 2xfk s TYR 245 Cb 0.18 -0.35 -0.05 0.00 -1.10 0.00 0.00 41.96 40.65 2xfk s TYR 245 CO 0.58 -0.65 -0.13 0.95 -2.51 0.00 0.00 175.55 173.79 2xfk s THR 246 N -4.06 1.64 0.00 -3.49 -4.23 -0.69 -4.79 115.64 100.02 2xfk s THR 246 Ca 0.27 -2.19 0.00 0.00 -1.18 0.00 0.00 61.69 58.59 2xfk s THR 246 Cb 0.06 -2.02 0.00 0.00 1.34 0.00 0.00 72.50 71.87 2xfk s THR 246 CO 0.05 -0.61 0.00 0.61 -0.54 0.00 0.00 174.62 174.13 2xfk n GLY 247 N -0.36 -0.09 3.91 3.99 0.00 -1.26 -3.81 105.19 107.57 2xfk n GLY 247 Ca -0.08 -1.01 -0.31 0.00 0.00 0.00 0.00 46.02 44.62 2xfk n GLY 247 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2xfk s SER 248 N -4.00 6.42 -0.14 1.61 0.01 -1.26 -4.97 113.70 111.37 2xfk s SER 248 Ca 0.00 0.42 -0.25 0.00 1.31 0.00 0.00 55.95 57.42 2xfk s SER 248 Cb 0.00 -2.02 -0.02 0.00 0.21 0.00 0.00 66.02 64.19 2xfk s SER 248 CO 0.00 0.13 0.82 -0.76 0.41 0.00 0.00 173.24 173.85 2xfk s LEU 249 N -2.50 4.21 -0.12 2.44 1.43 -1.26 -4.50 118.68 118.39 2xfk s LEU 249 Ca 0.37 1.22 -0.02 0.00 -1.03 0.00 0.00 54.13 54.66 2xfk s LEU 249 Cb -0.13 -3.24 -0.03 0.00 0.03 0.00 0.00 46.19 42.82 2xfk s LEU 249 CO 0.26 -0.34 -0.03 0.26 0.23 0.00 0.00 176.35 176.72 2xfk s TRP 250 N 1.83 3.05 -0.07 0.29 0.52 -0.22 -4.90 118.94 119.44 2xfk s TRP 250 Ca 0.39 -0.07 0.02 0.00 0.02 0.00 0.00 56.10 56.46 2xfk s TRP 250 Cb -0.17 -1.85 -0.03 0.00 -1.15 0.00 0.00 33.47 30.27 2xfk s TRP 250 CO 0.15 0.20 -0.11 0.71 0.02 0.00 0.00 176.95 177.92 2xfk s TYR 251 N -0.28 2.82 -0.02 -1.98 1.51 -1.26 -0.19 117.35 117.96 2xfk s TYR 251 Ca 0.05 -0.11 0.08 0.00 -1.01 0.00 0.00 57.07 56.07 2xfk s TYR 251 Cb -0.13 -1.69 -0.02 0.00 -0.11 0.00 0.00 41.96 40.02 2xfk s TYR 251 CO 0.02 0.22 -0.26 -0.08 -1.11 0.00 0.00 175.55 174.34 2xfk s THR 252 N -0.66 2.06 0.41 -0.71 -1.32 0.38 -3.87 115.64 111.93 2xfk s THR 252 Ca 0.10 -1.11 -0.25 0.00 -1.21 0.00 0.00 61.69 59.22 2xfk s THR 252 Cb -0.11 -1.71 -0.08 0.00 -1.51 0.00 0.00 72.50 69.09 2xfk s THR 252 CO 0.01 0.58 1.20 -2.84 -2.21 0.00 0.00 174.62 171.36 2xfk s PRO 253 N -0.59 3.98 -0.34 7.08 0.02 -1.26 -0.40 135.00 143.49 2xfk s PRO 253 Ca 0.09 1.90 -0.29 0.00 0.02 0.00 0.00 61.00 62.73 2xfk s PRO 253 Cb -0.10 -2.65 0.01 0.00 0.02 0.00 0.00 34.50 31.78 2xfk s PRO 253 CO -0.01 -0.40 1.25 0.42 -0.33 0.00 0.00 177.00 177.92 2xfk s ILE 254 N -1.40 4.20 0.17 2.83 1.01 -0.16 -4.56 121.20 123.29 2xfk s ILE 254 Ca 0.58 1.33 -0.05 0.00 0.00 0.00 0.00 60.65 62.51 2xfk s ILE 254 Cb -0.32 -4.28 -0.08 0.00 0.01 0.00 0.00 42.46 37.79 2xfk s ILE 254 CO 0.40 -0.59 1.45 -0.09 0.00 0.00 0.00 174.94 176.12 2xfk h ARG 255 N 9.20 0.58 -2.83 2.79 2.43 -1.26 -3.45 114.38 121.85 2xfk h ARG 255 Ca -0.25 -0.40 -0.13 0.00 -0.81 0.00 0.00 59.98 58.39 2xfk h ARG 255 Cb 1.09 0.06 -0.24 0.00 -0.42 0.00 0.00 29.97 30.46 2xfk h ARG 255 CO 1.05 1.02 -0.27 0.50 -1.51 0.00 0.00 179.97 180.77 2xfk s ARG 256 N -3.89 0.48 -1.07 0.20 3.52 -1.26 -5.08 118.95 111.85 2xfk s ARG 256 Ca -0.08 0.43 -0.17 0.00 -0.13 0.00 0.00 55.73 55.79 2xfk s ARG 256 Cb 0.11 0.23 0.14 0.00 -1.56 0.00 0.00 34.95 33.87 2xfk s ARG 256 CO 0.85 -0.07 1.29 -1.21 -0.81 0.00 0.00 175.30 175.35 2xfk s GLU 257 N -0.01 3.83 0.00 5.12 2.02 -1.26 -3.93 118.70 124.47 2xfk s GLU 257 Ca -0.02 -2.11 0.00 0.00 0.02 0.00 0.00 54.97 52.87 2xfk s GLU 257 Cb -0.03 -5.02 0.00 0.00 0.10 0.00 0.00 34.13 29.18 2xfk s GLU 257 CO 0.01 -1.80 0.00 -2.67 0.02 0.00 0.00 175.26 170.82 2xfk n TRP 258 N 6.29 0.00 -0.94 1.61 4.27 -1.26 -4.60 117.44 122.81 2xfk n TRP 258 Ca 0.31 0.00 -0.29 0.00 -3.89 0.00 0.00 57.50 53.62 2xfk n TRP 258 Cb 0.46 0.00 0.23 0.00 -1.36 0.00 0.00 31.31 30.64 2xfk n TRP 258 CO 0.00 0.00 0.00 0.71 -2.29 0.00 0.00 177.69 176.11 2xfk s TYR 259 N 0.00 1.00 -1.25 -2.67 2.02 -1.26 -1.16 117.35 114.02 2xfk s TYR 259 Ca 0.00 0.75 -0.17 0.00 -0.37 0.00 0.00 57.07 57.28 2xfk s TYR 259 Cb 0.00 -3.27 0.10 0.00 -0.40 0.00 0.00 41.96 38.39 2xfk s TYR 259 CO 0.00 -3.72 1.63 0.71 -1.57 0.00 0.00 175.55 172.60 2xfk s TYR 260 N -2.82 2.98 -0.03 2.71 1.51 -1.26 -4.81 117.35 115.61 2xfk s TYR 260 Ca 0.68 -1.73 -0.26 0.00 -1.01 0.00 0.00 57.07 54.76 2xfk s TYR 260 Cb -0.15 -4.62 -0.04 0.00 -0.11 0.00 0.00 41.96 37.04 2xfk s TYR 260 CO 0.58 -1.70 0.80 -2.00 -1.11 0.00 0.00 175.55 172.13 2xfk s GLU 261 N 3.50 4.49 0.39 -0.62 2.12 -1.25 -1.78 118.70 125.54 2xfk s GLU 261 Ca 0.50 1.08 0.04 0.00 0.36 0.00 0.00 54.97 56.95 2xfk s GLU 261 Cb 0.02 -3.44 -0.03 0.00 0.26 0.00 0.00 34.13 30.93 2xfk s GLU 261 CO 0.05 0.05 0.11 0.14 -0.54 0.00 0.00 175.26 175.07 2xfk s VAL 262 N 0.77 0.74 -0.12 3.70 -7.23 -0.13 -0.75 120.40 117.38 2xfk s VAL 262 Ca 0.42 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.61 2xfk s VAL 262 Cb -0.19 -2.43 0.02 0.00 0.56 0.00 0.00 36.38 34.33 2xfk s VAL 262 CO 0.22 0.00 -0.16 -0.63 -0.31 0.00 0.00 175.10 174.22 2xfk s ILE 263 N -3.22 1.60 -0.14 -0.62 -1.09 -1.26 -3.95 121.20 112.51 2xfk s ILE 263 Ca 0.26 -0.69 -0.17 0.00 -2.23 0.00 0.00 60.65 57.82 2xfk s ILE 263 Cb 0.04 -1.46 -0.04 0.00 -1.58 0.00 0.00 42.46 39.42 2xfk s ILE 263 CO 0.14 0.46 0.45 -0.63 -1.23 0.00 0.00 174.94 174.13 2xfk s ILE 264 N 1.09 5.20 -0.27 2.92 1.01 -1.26 -1.04 121.20 128.84 2xfk s ILE 264 Ca -0.04 0.87 0.15 0.00 0.00 0.00 0.00 60.65 61.63 2xfk s ILE 264 Cb -0.14 -3.78 -0.20 0.00 0.01 0.00 0.00 42.46 38.34 2xfk s ILE 264 CO -0.04 0.31 0.44 1.33 0.00 0.00 0.00 174.94 176.98 2xfk n VAL 265 N 3.82 0.00 -3.59 2.92 0.24 0.09 -4.72 118.33 117.10 2xfk n VAL 265 Ca -0.08 -0.27 -0.13 0.00 -2.04 0.00 0.00 64.34 61.82 2xfk n VAL 265 Cb 0.51 0.48 -0.06 0.00 -1.47 0.00 0.00 33.84 33.30 2xfk n VAL 265 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2xfk s ARG 266 N -2.78 0.78 -0.05 7.34 3.52 -1.23 -4.75 118.95 121.79 2xfk s ARG 266 Ca -0.01 0.51 0.02 0.00 -0.13 0.00 0.00 55.73 56.12 2xfk s ARG 266 Cb 0.10 0.38 0.01 0.00 -1.56 0.00 0.00 34.95 33.88 2xfk s ARG 266 CO 0.61 -0.18 -0.10 0.08 -0.81 0.00 0.00 175.30 174.90 2xfk s VAL 267 N -0.44 0.95 0.02 7.11 1.01 -1.26 -0.67 120.40 127.12 2xfk s VAL 267 Ca -0.03 -0.40 0.06 0.00 0.00 0.00 0.00 61.98 61.61 2xfk s VAL 267 Cb -0.03 -0.87 -0.02 0.00 0.00 0.00 0.00 36.38 35.46 2xfk s VAL 267 CO 0.02 0.30 -0.17 -1.61 0.00 0.00 0.00 175.10 173.64 2xfk s GLU 268 N 0.52 1.24 -0.18 2.72 2.02 -0.48 -1.35 118.70 123.19 2xfk s GLU 268 Ca -0.10 -0.77 0.01 0.00 0.02 0.00 0.00 54.97 54.13 2xfk s GLU 268 Cb -0.13 -1.27 0.02 0.00 0.10 0.00 0.00 34.13 32.85 2xfk s GLU 268 CO 0.02 0.33 -0.18 0.42 0.02 0.00 0.00 175.26 175.87 2xfk s ILE 269 N -0.68 1.96 -1.47 -1.63 -1.09 -0.50 -0.49 121.20 117.30 2xfk s ILE 269 Ca 0.05 -0.94 -0.04 0.00 -2.23 0.00 0.00 60.65 57.49 2xfk s ILE 269 Cb -0.08 -1.81 0.00 0.00 -1.58 0.00 0.00 42.46 38.99 2xfk s ILE 269 CO 0.01 0.47 0.18 0.59 -1.23 0.00 0.00 174.94 174.96 2xfk n ASN 270 N 4.64 0.01 0.00 3.58 4.13 0.66 -1.56 115.26 126.71 2xfk n ASN 270 Ca -0.19 -1.22 0.00 0.00 1.68 0.00 0.00 54.58 54.85 2xfk n ASN 270 Cb 0.49 -1.97 0.00 0.00 -1.54 0.00 0.00 39.78 36.76 2xfk n ASN 270 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2xfk n GLY 271 N -2.38 1.37 3.61 7.41 0.00 -1.26 -4.98 105.19 108.95 2xfk n GLY 271 Ca -0.30 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.34 2xfk n GLY 271 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2xfk s GLN 272 N -0.14 4.00 0.31 1.61 -1.52 -0.60 -5.01 119.66 118.31 2xfk s GLN 272 Ca 0.00 -0.18 -0.30 0.00 -1.95 0.00 0.00 55.36 52.94 2xfk s GLN 272 Cb 0.00 -3.64 -0.11 0.00 -0.22 0.00 0.00 33.01 29.04 2xfk s GLN 272 CO 0.00 -0.17 1.59 -3.47 -0.25 0.00 0.00 175.29 172.98 2xfk n ASP 273 N 5.02 3.89 0.18 5.90 2.03 -1.26 -1.42 116.55 130.89 2xfk n ASP 273 Ca -0.12 1.16 0.14 0.00 0.52 0.00 0.00 54.79 56.49 2xfk n ASP 273 Cb 0.52 -1.61 0.57 0.00 -0.72 0.00 0.00 41.12 39.88 2xfk n ASP 273 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2xfk h LEU 274 N 4.49 0.00 -2.40 -2.67 3.38 -1.60 -3.48 115.31 113.04 2xfk h LEU 274 Ca -0.48 0.00 -0.34 0.00 0.09 0.00 0.00 57.88 57.15 2xfk h LEU 274 Cb 1.23 0.00 0.14 0.00 0.09 0.00 0.00 40.66 42.11 2xfk h LEU 274 CO 0.77 0.00 -0.86 0.29 0.09 0.00 0.00 178.44 178.73 2xfk n LYS 275 N -2.50 -3.11 -4.43 1.13 5.02 -1.26 -5.01 118.16 107.99 2xfk n LYS 275 Ca 0.01 0.71 -0.25 0.00 -2.02 0.00 0.00 58.31 56.77 2xfk n LYS 275 Cb 0.24 -5.29 -0.11 0.00 -0.02 0.00 0.00 35.03 29.85 2xfk n LYS 275 CO 0.00 0.00 0.00 -1.64 -0.52 0.00 0.00 177.40 175.24 2xfk s MET 276 N -5.23 1.54 0.10 1.97 -1.94 -1.26 -5.10 119.30 109.39 2xfk s MET 276 Ca 0.31 -1.61 -0.34 0.00 -1.71 0.00 0.00 55.69 52.35 2xfk s MET 276 Cb -0.07 -1.73 -0.13 0.00 2.01 0.00 0.00 34.83 34.91 2xfk s MET 276 CO 0.78 0.35 1.68 -3.47 -0.01 0.00 0.00 175.02 174.36 2xfk n ASP 277 N -0.08 3.32 0.32 3.03 -0.08 -1.26 -4.84 116.55 116.95 2xfk n ASP 277 Ca -0.10 1.05 0.21 0.00 -1.51 0.00 0.00 54.79 54.44 2xfk n ASP 277 Cb 0.58 -1.43 1.03 0.00 2.34 0.00 0.00 41.12 43.63 2xfk n ASP 277 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2xfk h LYS 279 N 0.00 0.00 -0.13 0.00 1.57 -1.85 -2.44 116.57 113.72 2xfk h LYS 279 Ca 0.00 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2xfk h LYS 279 Cb 0.19 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2xfk h LYS 279 CO 0.00 0.00 -0.02 0.93 -0.57 0.00 0.00 179.45 179.79 2xfk h GLU 280 N 0.00 0.19 0.00 3.15 4.39 -1.35 -1.62 114.58 119.33 2xfk h GLU 280 Ca 0.01 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 2xfk h GLU 280 Cb 0.06 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.68 2xfk h GLU 280 CO -0.00 0.23 -0.01 1.88 -1.16 0.00 0.00 179.01 179.95 2xfk h TYR 281 N 0.19 0.00 0.00 4.33 0.99 -1.60 -2.98 116.97 117.90 2xfk h TYR 281 Ca 0.04 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.77 2xfk h TYR 281 Cb 0.17 0.00 -0.01 0.00 1.00 0.00 0.00 36.73 37.89 2xfk h TYR 281 CO 0.00 0.01 -0.26 0.09 -0.00 0.00 0.00 178.16 178.01 2xfk n ASN 282 N -3.12 1.96 -4.56 3.88 3.02 -0.65 -4.48 115.26 111.31 2xfk n ASN 282 Ca 0.00 -3.37 -0.43 0.00 -0.03 0.00 0.00 54.58 50.75 2xfk n ASN 282 Cb 0.28 -0.46 -0.05 0.00 -0.61 0.00 0.00 39.78 38.94 2xfk n ASN 282 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2xfk s TYR 283 N -2.86 2.98 -1.80 3.10 5.04 -0.97 -1.06 117.35 121.78 2xfk s TYR 283 Ca 0.34 0.35 0.16 0.00 -2.44 0.00 0.00 57.07 55.47 2xfk s TYR 283 Cb 0.31 -3.78 0.21 0.00 0.35 0.00 0.00 41.96 39.04 2xfk s TYR 283 CO -0.02 -1.01 1.09 -0.40 -1.34 0.00 0.00 175.55 173.88 2xfk n ASP 284 N 6.91 2.57 -3.57 4.32 5.75 -1.26 -3.31 116.55 127.95 2xfk n ASP 284 Ca 0.05 -1.75 -0.09 0.00 -0.01 0.00 0.00 54.79 52.99 2xfk n ASP 284 Cb 0.48 -0.09 -0.02 0.00 -1.03 0.00 0.00 41.12 40.47 2xfk n ASP 284 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 2xfk s LYS 285 N -1.23 1.22 -0.06 0.11 -2.85 -0.23 -4.59 119.74 112.11 2xfk s LYS 285 Ca 0.22 -0.54 0.03 0.00 -1.00 0.00 0.00 55.97 54.69 2xfk s LYS 285 Cb 0.14 0.50 0.00 0.00 -2.06 0.00 0.00 37.83 36.42 2xfk s LYS 285 CO 0.20 -0.54 -0.16 -1.12 0.10 0.00 0.00 175.35 173.83 2xfk s SER 286 N -2.73 2.13 0.13 0.03 0.01 -1.25 -1.05 113.70 110.97 2xfk s SER 286 Ca 0.06 -0.36 0.05 0.00 1.31 0.00 0.00 55.95 57.01 2xfk s SER 286 Cb -0.02 -0.82 -0.04 0.00 0.21 0.00 0.00 66.02 65.35 2xfk s SER 286 CO -0.06 0.10 -0.13 0.27 0.41 0.00 0.00 173.24 173.84 2xfk s ILE 287 N 0.35 1.27 -0.29 1.44 -4.36 -0.55 -0.95 121.20 118.12 2xfk s ILE 287 Ca -0.11 -1.83 -0.08 0.00 -0.26 0.00 0.00 60.65 58.38 2xfk s ILE 287 Cb -0.14 -1.63 -0.00 0.00 1.25 0.00 0.00 42.46 41.94 2xfk s ILE 287 CO 0.04 -0.53 0.09 -0.69 0.24 0.00 0.00 174.94 174.09 2xfk s VAL 288 N -2.54 4.17 -0.33 8.37 1.01 -0.73 -0.61 120.40 129.74 2xfk s VAL 288 Ca 0.11 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.55 2xfk s VAL 288 Cb -0.02 -3.11 0.12 0.00 0.00 0.00 0.00 36.38 33.37 2xfk s VAL 288 CO 0.02 0.12 0.17 -0.62 0.00 0.00 0.00 175.10 174.80 2xfk s ASP 289 N 1.55 3.42 0.47 3.32 -1.08 -0.41 -4.41 116.67 119.52 2xfk s ASP 289 Ca 0.04 -1.85 0.32 0.00 -0.52 0.00 0.00 52.55 50.54 2xfk s ASP 289 Cb -0.17 -0.54 1.51 0.00 -1.46 0.00 0.00 42.92 42.26 2xfk s ASP 289 CO 0.03 -0.37 1.96 0.77 0.52 0.00 0.00 175.17 178.08 2xfk h SER 290 N 7.62 0.00 0.61 -0.34 4.64 -1.85 -2.79 113.55 121.44 2xfk h SER 290 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 2xfk h SER 290 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 2xfk h SER 290 CO 0.38 0.00 -0.15 0.61 -0.87 0.00 0.00 176.83 176.81 2xfk n GLY 291 N -0.50 -1.22 3.62 -0.77 0.00 -1.26 -4.56 105.19 100.50 2xfk n GLY 291 Ca -0.00 -0.22 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 2xfk n GLY 291 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2xfk s THR 292 N -2.76 4.25 -0.02 2.61 2.01 -1.05 -4.95 115.64 115.72 2xfk s THR 292 Ca 0.20 -0.25 -0.26 0.00 0.31 0.00 0.00 61.69 61.69 2xfk s THR 292 Cb 0.19 -2.83 -0.20 0.00 0.01 0.00 0.00 72.50 69.68 2xfk s THR 292 CO 0.54 0.55 1.27 0.74 -0.69 0.00 0.00 174.62 177.03 2xfk h THR 293 N 4.55 1.31 -3.51 -0.82 2.02 -1.87 0.11 112.91 114.70 2xfk h THR 293 Ca -0.43 -1.07 -0.47 0.00 0.77 0.00 0.00 66.41 65.21 2xfk h THR 293 Cb 1.19 2.03 0.06 0.00 -1.74 0.00 0.00 68.15 69.68 2xfk h THR 293 CO 0.59 0.27 0.15 0.20 0.37 0.00 0.00 175.52 177.10 2xfk s ASN 294 N -5.63 5.42 -0.35 4.18 -0.87 -1.26 -1.43 114.94 115.00 2xfk s ASN 294 Ca -0.16 0.56 -0.27 0.00 -1.57 0.00 0.00 52.86 51.43 2xfk s ASN 294 Cb 0.02 -1.50 0.02 0.00 -0.02 0.00 0.00 41.25 39.77 2xfk s ASN 294 CO 0.66 -1.15 0.99 -0.22 -2.57 0.00 0.00 177.10 174.81 2xfk s LEU 295 N -4.99 3.95 -0.09 0.60 2.96 -0.56 -1.82 118.68 118.72 2xfk s LEU 295 Ca 0.55 0.77 -0.01 0.00 -0.22 0.00 0.00 54.13 55.21 2xfk s LEU 295 Cb -0.11 -3.39 -0.03 0.00 0.50 0.00 0.00 46.19 43.17 2xfk s LEU 295 CO 0.44 -0.88 -0.02 -0.13 -1.32 0.00 0.00 176.35 174.43 2xfk s ARG 296 N 3.59 3.05 0.03 1.98 0.52 0.41 -1.50 118.95 127.03 2xfk s ARG 296 Ca 0.41 -0.47 0.06 0.00 -0.52 0.00 0.00 55.73 55.22 2xfk s ARG 296 Cb -0.12 -2.76 -0.02 0.00 0.52 0.00 0.00 34.95 32.57 2xfk s ARG 296 CO 0.18 0.60 -0.17 -0.51 0.02 0.00 0.00 175.30 175.42 2xfk s LEU 297 N -0.62 2.14 0.35 2.53 1.43 0.10 -0.98 118.68 123.63 2xfk s LEU 297 Ca 0.10 -0.45 -0.26 0.00 -1.03 0.00 0.00 54.13 52.49 2xfk s LEU 297 Cb -0.12 -0.80 -0.13 0.00 0.03 0.00 0.00 46.19 45.17 2xfk s LEU 297 CO 0.02 0.12 0.96 -2.65 0.23 0.00 0.00 176.35 175.03 2xfk n PRO 298 N 2.06 1.28 -0.35 1.29 -0.02 -1.26 -0.39 135.00 137.61 2xfk n PRO 298 Ca -0.17 0.45 0.06 0.00 -2.02 0.00 0.00 63.50 61.83 2xfk n PRO 298 Cb 0.54 -1.88 0.15 0.00 -0.02 0.00 0.00 33.50 32.29 2xfk n PRO 298 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2xfk h LYS 299 N 1.70 0.00 -0.76 -0.52 3.64 -1.89 0.16 116.57 118.91 2xfk h LYS 299 Ca -0.41 -0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 58.94 2xfk h LYS 299 Cb 1.34 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.13 2xfk h LYS 299 CO 0.58 0.00 0.37 -0.22 -2.27 0.00 0.00 179.45 177.91 2xfk h LYS 300 N 0.00 1.09 -0.16 1.90 3.64 -1.92 -0.39 116.57 120.73 2xfk h LYS 300 Ca 0.48 -0.16 -0.14 0.00 -1.27 0.00 0.00 60.65 59.56 2xfk h LYS 300 Cb 0.76 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 2xfk h LYS 300 CO -0.99 0.85 -0.44 0.28 -2.27 0.00 0.00 179.45 176.88 2xfk h VAL 301 N 1.07 1.34 -0.26 2.00 2.07 -1.38 -2.44 116.25 118.65 2xfk h VAL 301 Ca 0.26 -1.70 0.04 0.00 0.82 0.00 0.00 66.70 66.12 2xfk h VAL 301 Cb 0.12 1.99 -0.04 0.00 -1.52 0.00 0.00 31.29 31.84 2xfk h VAL 301 CO -0.03 0.52 0.04 0.15 0.02 0.00 0.00 177.57 178.27 2xfk h PHE 302 N 0.23 0.07 -0.70 1.57 3.57 -0.43 0.13 116.94 121.37 2xfk h PHE 302 Ca -0.01 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.45 2xfk h PHE 302 Cb 1.05 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 39.77 2xfk h PHE 302 CO 0.10 0.01 0.21 0.93 -2.23 0.00 0.00 178.31 177.33 2xfk h GLU 303 N 0.14 1.09 -0.49 1.11 4.39 -1.08 -0.83 114.58 118.92 2xfk h GLU 303 Ca 0.12 -0.23 -0.11 0.00 0.34 0.00 0.00 59.36 59.47 2xfk h GLU 303 Cb 0.13 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 2xfk h GLU 303 CO -0.17 0.94 -0.14 0.00 -1.16 0.00 0.00 179.01 178.48 2xfk h ALA 304 N 1.17 0.67 -0.21 3.43 0.00 -1.07 -2.26 119.26 120.99 2xfk h ALA 304 Ca 0.23 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2xfk h ALA 304 Cb 0.31 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2xfk h ALA 304 CO -0.01 0.60 0.11 0.00 0.00 0.00 0.00 179.25 179.96 2xfk h ALA 305 N 0.88 0.27 -0.75 0.00 0.00 -0.47 -2.27 119.26 116.93 2xfk h ALA 305 Ca 0.12 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2xfk h ALA 305 Cb 0.70 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 2xfk h ALA 305 CO 0.05 -0.20 0.43 0.28 0.00 0.00 0.00 179.25 179.81 2xfk h VAL 306 N 0.23 1.22 -0.76 0.00 2.07 -1.13 -0.04 116.25 117.84 2xfk h VAL 306 Ca 0.07 -0.52 0.03 0.00 0.82 0.00 0.00 66.70 67.10 2xfk h VAL 306 Cb 0.07 0.21 -0.04 0.00 -1.52 0.00 0.00 31.29 30.01 2xfk h VAL 306 CO -0.01 0.24 0.49 0.50 0.02 0.00 0.00 177.57 178.80 2xfk h LYS 307 N 1.02 0.93 -0.32 1.57 3.64 -1.24 0.68 116.57 122.86 2xfk h LYS 307 Ca 0.26 -0.06 -0.16 0.00 -1.27 0.00 0.00 60.65 59.43 2xfk h LYS 307 Cb 0.00 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 2xfk h LYS 307 CO -0.05 0.62 -0.45 1.03 -2.27 0.00 0.00 179.45 178.33 2xfk h SER 308 N 0.96 0.89 -0.40 4.20 0.87 -0.90 -1.57 113.55 117.60 2xfk h SER 308 Ca 0.30 -0.43 -0.14 0.00 -1.23 0.00 0.00 61.79 60.29 2xfk h SER 308 Cb -0.02 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.68 2xfk h SER 308 CO -0.10 1.20 -0.30 0.40 -0.53 0.00 0.00 176.83 177.51 2xfk h ILE 309 N 0.66 1.28 -0.32 2.23 2.04 -0.70 -1.76 117.51 120.94 2xfk h ILE 309 Ca 0.04 -1.46 0.03 0.00 1.00 0.00 0.00 64.86 64.47 2xfk h ILE 309 Cb 1.02 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 38.40 2xfk h ILE 309 CO 0.10 0.49 0.11 0.11 0.00 0.00 0.00 178.15 178.96 2xfk h LYS 310 N 0.73 0.24 -0.53 2.37 1.57 -0.82 -1.63 116.57 118.51 2xfk h LYS 310 Ca 0.08 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.86 2xfk h LYS 310 Cb 0.88 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.10 2xfk h LYS 310 CO 0.08 0.16 0.32 0.00 -0.57 0.00 0.00 179.45 179.44 2xfk h ALA 311 N 1.20 0.67 -0.38 3.86 0.00 -1.15 -1.31 119.26 122.15 2xfk h ALA 311 Ca 0.14 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2xfk h ALA 311 Cb 0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2xfk h ALA 311 CO -0.14 0.05 0.02 0.00 0.00 0.00 0.00 179.25 179.17 2xfk h ALA 312 N 1.22 1.33 -0.61 0.00 0.00 -1.08 -3.02 119.26 117.09 2xfk h ALA 312 Ca 0.21 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2xfk h ALA 312 Cb -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2xfk h ALA 312 CO -0.08 0.46 0.00 -1.13 0.00 0.00 0.00 179.25 178.50 2xfk n SER 313 N -4.28 4.93 0.03 0.00 3.41 -0.63 -4.69 113.62 112.40 2xfk n SER 313 Ca 0.02 -2.57 0.07 0.00 -0.26 0.00 0.00 58.87 56.13 2xfk n SER 313 Cb 0.24 -0.61 0.31 0.00 -0.26 0.00 0.00 64.21 63.90 2xfk n SER 313 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2xfk n SER 314 N 0.96 0.16 0.28 4.04 3.41 -0.53 -1.58 113.62 120.37 2xfk n SER 314 Ca 0.26 0.55 0.16 0.00 -0.26 0.00 0.00 58.87 59.57 2xfk n SER 314 Cb 0.96 -0.58 0.92 0.00 -0.26 0.00 0.00 64.21 65.25 2xfk n SER 314 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2xfk h THR 315 N 0.00 0.47 -4.02 6.66 1.03 -1.87 -3.40 112.91 111.79 2xfk h THR 315 Ca 0.00 0.00 -0.56 0.00 -0.01 0.00 0.00 66.41 65.84 2xfk h THR 315 Cb 0.22 0.96 -0.23 0.00 -1.07 0.00 0.00 68.15 68.03 2xfk h THR 315 CO 0.00 0.00 -0.83 -1.61 -0.01 0.00 0.00 175.52 173.07 2xfk s GLU 316 N -4.59 1.19 -0.12 0.00 2.02 -0.61 -5.14 118.70 111.45 2xfk s GLU 316 Ca -0.05 -1.06 0.01 0.00 0.02 0.00 0.00 54.97 53.89 2xfk s GLU 316 Cb 0.15 -1.39 -0.01 0.00 0.10 0.00 0.00 34.13 32.98 2xfk s GLU 316 CO 0.53 0.34 -0.15 0.15 0.02 0.00 0.00 175.26 176.15 2xfk s LYS 317 N -1.62 3.27 0.17 1.61 -0.14 -1.26 -4.93 119.74 116.84 2xfk s LYS 317 Ca 0.06 -0.71 0.09 0.00 -1.36 0.00 0.00 55.97 54.05 2xfk s LYS 317 Cb -0.09 -2.56 -0.04 0.00 -1.68 0.00 0.00 37.83 33.45 2xfk s LYS 317 CO 0.03 0.24 -0.14 -0.06 -0.76 0.00 0.00 175.35 174.67 2xfk s PHE 318 N 0.26 2.56 0.66 3.18 0.40 -1.26 -5.11 117.98 118.66 2xfk s PHE 318 Ca -0.10 -0.25 -0.17 0.00 -0.60 0.00 0.00 56.93 55.81 2xfk s PHE 318 Cb -0.16 -1.27 -0.00 0.00 0.51 0.00 0.00 43.02 42.10 2xfk s PHE 318 CO 0.06 0.49 1.21 -1.25 0.70 0.00 0.00 175.22 176.42 2xfk s PRO 319 N -2.67 2.60 0.38 0.24 0.04 -1.26 -4.90 135.00 129.43 2xfk s PRO 319 Ca 0.23 1.78 0.11 0.00 0.04 0.00 0.00 61.00 63.16 2xfk s PRO 319 Cb -0.09 -1.89 0.90 0.00 0.04 0.00 0.00 34.50 33.47 2xfk s PRO 319 CO 0.13 -1.49 1.89 -0.44 0.04 0.00 0.00 177.00 177.13 2xfk h ASP 320 N 0.31 0.56 -0.12 6.66 3.32 -2.01 -0.88 116.42 124.27 2xfk h ASP 320 Ca -0.49 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 56.59 2xfk h ASP 320 Cb 1.30 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.76 2xfk h ASP 320 CO 0.53 0.28 0.08 1.23 -1.72 0.00 0.00 179.24 179.64 2xfk h GLY 321 N 0.59 0.18 0.88 2.75 0.00 -1.95 -1.86 103.07 103.67 2xfk h GLY 321 Ca 0.42 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.67 2xfk h GLY 321 CO -0.17 0.07 0.07 -2.75 0.00 0.00 0.00 176.54 173.75 2xfk h PHE 322 N 0.18 0.28 0.00 5.60 3.57 -1.33 0.48 116.94 125.72 2xfk h PHE 322 Ca 0.05 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 2xfk h PHE 322 Cb -0.00 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.65 2xfk h PHE 322 CO 0.00 0.34 -0.04 -1.49 -2.23 0.00 0.00 178.31 174.89 2xfk h TRP 323 N 0.14 0.00 -0.02 0.41 4.06 -1.37 -1.34 115.95 117.83 2xfk h TRP 323 Ca 0.06 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.01 2xfk h TRP 323 Cb 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.34 2xfk h TRP 323 CO -0.01 0.04 0.00 1.28 -3.56 0.00 0.00 178.44 176.19 2xfk n LEU 324 N -3.19 1.81 -0.53 -4.49 4.77 -0.92 -4.95 117.00 109.51 2xfk n LEU 324 Ca -0.00 -0.61 -0.07 0.00 -0.03 0.00 0.00 56.01 55.30 2xfk n LEU 324 Cb 0.28 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 2xfk n LEU 324 CO 0.27 0.30 -0.07 0.61 -1.33 0.00 0.00 177.39 177.18 2xfk n GLY 325 N 1.21 0.91 0.06 -0.72 0.00 -0.50 -4.91 105.19 101.23 2xfk n GLY 325 Ca 0.18 -0.70 0.09 0.00 0.00 0.00 0.00 46.02 45.59 2xfk n GLY 325 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2xfk n GLU 326 N -2.76 0.55 -3.67 1.61 1.02 0.13 -4.94 120.64 112.58 2xfk n GLU 326 Ca -0.07 -0.11 -0.11 0.00 -0.02 0.00 0.00 57.16 56.84 2xfk n GLU 326 Cb 0.23 -1.44 -0.06 0.00 -0.02 0.00 0.00 31.44 30.16 2xfk n GLU 326 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 2xfk s GLN 327 N -2.81 0.97 0.49 3.49 -2.07 -1.01 -4.93 119.66 113.80 2xfk s GLN 327 Ca 0.09 -0.58 -0.13 0.00 -1.82 0.00 0.00 55.36 52.92 2xfk s GLN 327 Cb 0.15 0.43 -0.06 0.00 -1.09 0.00 0.00 33.01 32.44 2xfk s GLN 327 CO 0.78 -0.35 0.91 -0.51 -1.32 0.00 0.00 175.29 174.80 2xfk s LEU 328 N -2.44 3.62 -0.11 2.60 1.43 -1.26 -4.24 118.68 118.28 2xfk s LEU 328 Ca -0.01 1.36 0.00 0.00 -1.03 0.00 0.00 54.13 54.45 2xfk s LEU 328 Cb 0.01 -4.30 -0.02 0.00 0.03 0.00 0.00 46.19 41.91 2xfk s LEU 328 CO -0.08 -0.57 -0.11 0.54 0.23 0.00 0.00 176.35 176.36 2xfk s VAL 329 N -2.65 3.27 -0.00 -1.59 0.11 -0.48 -4.91 120.40 114.15 2xfk s VAL 329 Ca 0.55 -0.60 0.04 0.00 -2.93 0.00 0.00 61.98 59.04 2xfk s VAL 329 Cb -0.10 -2.36 -0.01 0.00 -1.53 0.00 0.00 36.38 32.37 2xfk s VAL 329 CO 0.36 0.54 -0.14 0.00 -3.33 0.00 0.00 175.10 172.53 2xfk s TRP 331 N -0.43 1.38 0.21 0.00 0.51 -0.33 -4.99 118.94 115.29 2xfk s TRP 331 Ca 0.05 -0.50 -0.31 0.00 -2.12 0.00 0.00 56.10 53.21 2xfk s TRP 331 Cb -0.06 -0.74 -0.15 0.00 -0.81 0.00 0.00 33.47 31.71 2xfk s TRP 331 CO -0.00 0.12 1.20 0.94 -0.51 0.00 0.00 176.95 178.69 2xfk n GLN 332 N 0.89 1.43 -1.55 4.98 7.27 -1.26 -0.53 117.38 128.61 2xfk n GLN 332 Ca -0.18 0.51 -0.55 0.00 0.07 0.00 0.00 57.00 56.84 2xfk n GLN 332 Cb 0.55 -2.02 -0.07 0.00 2.41 0.00 0.00 30.24 31.12 2xfk n GLN 332 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2xfk n ALA 333 N 1.35 -2.19 -0.85 1.69 0.00 -0.74 -1.44 120.51 118.33 2xfk n ALA 333 Ca 0.13 0.55 0.00 0.00 0.00 0.00 0.00 53.44 54.12 2xfk n ALA 333 Cb 0.28 -1.93 0.00 0.00 0.00 0.00 0.00 19.45 17.80 2xfk n ALA 333 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2xfk n GLY 334 N 2.04 0.93 0.52 0.00 0.00 -1.26 -4.90 105.19 102.52 2xfk n GLY 334 Ca 0.19 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.27 2xfk n GLY 334 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2xfk n THR 335 N -2.00 1.44 -1.66 2.61 -2.24 -0.52 -5.02 114.28 106.88 2xfk n THR 335 Ca 0.00 -1.37 -0.49 0.00 -2.27 0.00 0.00 64.05 59.92 2xfk n THR 335 Cb 0.00 0.22 -0.05 0.00 -2.10 0.00 0.00 70.33 68.40 2xfk n THR 335 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2xfk n THR 336 N -0.16 0.19 -1.94 4.28 -1.04 -1.26 -4.83 114.28 109.52 2xfk n THR 336 Ca 0.12 -0.03 -0.42 0.00 -2.04 0.00 0.00 64.05 61.68 2xfk n THR 336 Cb 0.54 -1.47 0.00 0.00 -1.82 0.00 0.00 70.33 67.58 2xfk n THR 336 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2xfk n PRO 337 N 4.35 3.17 -0.26 -2.82 -0.04 -1.26 -4.78 135.00 133.36 2xfk n PRO 337 Ca 0.20 -2.94 0.11 0.00 -0.04 0.00 0.00 63.50 60.83 2xfk n PRO 337 Cb 0.26 -3.14 0.37 0.00 -0.04 0.00 0.00 33.50 30.95 2xfk n PRO 337 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 2xfk h TRP 338 N 5.86 0.82 -0.20 0.54 4.06 -1.96 -2.25 115.95 122.83 2xfk h TRP 338 Ca 0.51 0.02 0.06 0.00 2.06 0.00 0.00 58.89 61.55 2xfk h TRP 338 Cb 0.62 -0.26 -0.01 0.00 -1.00 0.00 0.00 29.16 28.52 2xfk h TRP 338 CO 1.40 0.32 0.17 -2.95 -3.56 0.00 0.00 178.44 173.81 2xfk h ASN 339 N 0.71 0.00 1.30 -3.49 -1.07 -2.01 -1.70 115.58 109.32 2xfk h ASN 339 Ca 0.44 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.81 2xfk h ASN 339 Cb 0.67 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.92 2xfk h ASN 339 CO -0.20 0.00 0.00 2.30 0.07 0.00 0.00 177.43 179.60 2xfk n ILE 340 N -4.21 0.55 -3.84 6.14 -5.35 -0.84 -4.79 119.36 107.02 2xfk n ILE 340 Ca 0.02 -0.17 -0.37 0.00 -0.27 0.00 0.00 62.75 61.96 2xfk n ILE 340 Cb 0.30 -0.66 -0.06 0.00 -1.74 0.00 0.00 39.64 37.49 2xfk n ILE 340 CO 0.00 0.00 0.00 -0.36 -1.76 0.00 0.00 176.55 174.43 2xfk s PHE 341 N -3.11 3.61 0.58 4.28 0.08 -0.64 -3.26 117.98 119.52 2xfk s PHE 341 Ca 0.10 0.56 -0.08 0.00 0.12 0.00 0.00 56.93 57.62 2xfk s PHE 341 Cb 0.13 -1.96 -0.03 0.00 -0.57 0.00 0.00 43.02 40.59 2xfk s PHE 341 CO 0.55 0.71 0.94 -1.25 -0.10 0.00 0.00 175.22 176.08 2xfk s PRO 342 N -1.17 3.41 0.31 0.24 0.04 -1.26 -4.82 135.00 131.75 2xfk s PRO 342 Ca 0.18 0.43 -0.24 0.00 0.04 0.00 0.00 61.00 61.41 2xfk s PRO 342 Cb -0.13 -2.20 -0.10 0.00 0.04 0.00 0.00 34.50 32.12 2xfk s PRO 342 CO 0.07 -0.52 0.89 0.08 0.04 0.00 0.00 177.00 177.56 2xfk s VAL 343 N -3.03 4.32 -0.15 -0.36 1.01 -1.26 -4.31 120.40 116.63 2xfk s VAL 343 Ca 0.53 1.65 -0.01 0.00 0.00 0.00 0.00 61.98 64.15 2xfk s VAL 343 Cb -0.11 -3.93 -0.01 0.00 0.00 0.00 0.00 36.38 32.33 2xfk s VAL 343 CO 0.49 0.11 -0.12 -0.63 0.00 0.00 0.00 175.10 174.95 2xfk s ILE 344 N -1.65 2.99 -0.18 2.22 1.01 -0.26 -0.25 121.20 125.09 2xfk s ILE 344 Ca 0.50 -0.67 -0.03 0.00 0.00 0.00 0.00 60.65 60.45 2xfk s ILE 344 Cb -0.17 -2.27 -0.02 0.00 0.01 0.00 0.00 42.46 40.01 2xfk s ILE 344 CO 0.22 0.51 -0.07 -0.44 0.00 0.00 0.00 174.94 175.16 2xfk s SER 345 N 0.63 4.37 -0.24 3.58 0.01 0.36 -0.11 113.70 122.30 2xfk s SER 345 Ca -0.07 -0.29 -0.06 0.00 1.31 0.00 0.00 55.95 56.83 2xfk s SER 345 Cb -0.15 -1.72 -0.02 0.00 0.21 0.00 0.00 66.02 64.34 2xfk s SER 345 CO 0.03 0.09 0.04 -0.76 0.41 0.00 0.00 173.24 173.04 2xfk s LEU 346 N 0.83 3.31 -0.20 2.44 1.43 -0.40 -1.38 118.68 124.71 2xfk s LEU 346 Ca -0.02 -0.24 -0.16 0.00 -1.03 0.00 0.00 54.13 52.68 2xfk s LEU 346 Cb -0.15 -1.87 -0.04 0.00 0.03 0.00 0.00 46.19 44.16 2xfk s LEU 346 CO 0.01 -0.02 0.42 -0.31 0.23 0.00 0.00 176.35 176.69 2xfk s TYR 347 N 1.49 3.38 -0.02 0.29 1.51 0.15 -1.11 117.35 123.05 2xfk s TYR 347 Ca 0.06 0.66 -0.00 0.00 -1.01 0.00 0.00 57.07 56.78 2xfk s TYR 347 Cb -0.15 -2.55 -0.04 0.00 -0.11 0.00 0.00 41.96 39.11 2xfk s TYR 347 CO 0.02 -0.01 0.04 -0.51 -1.11 0.00 0.00 175.55 173.98 2xfk s LEU 348 N 1.32 3.73 0.23 -1.29 1.43 0.59 -0.73 118.68 123.96 2xfk s LEU 348 Ca 0.20 0.10 -0.32 0.00 -1.03 0.00 0.00 54.13 53.09 2xfk s LEU 348 Cb -0.15 -2.11 -0.13 0.00 0.03 0.00 0.00 46.19 43.83 2xfk s LEU 348 CO 0.08 0.29 1.47 0.80 0.23 0.00 0.00 176.35 179.22 2xfk n MET 349 N 1.41 2.14 -2.07 1.70 0.00 -0.21 -2.27 117.12 117.82 2xfk n MET 349 Ca -0.15 0.77 -0.25 0.00 -0.00 0.00 0.00 57.70 58.07 2xfk n MET 349 Cb 0.53 -2.46 0.16 0.00 0.00 0.00 0.00 33.22 31.45 2xfk n MET 349 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2xfk n GLY 350 N 2.41 -0.62 0.45 -5.12 0.00 0.44 -4.14 105.19 98.61 2xfk n GLY 350 Ca 0.12 -1.84 0.13 0.00 0.00 0.00 0.00 46.02 44.43 2xfk n GLY 350 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2xfk n GLU 351 N -3.30 1.61 -4.44 1.61 1.02 -1.25 -4.57 120.64 111.32 2xfk n GLU 351 Ca 0.16 -0.90 -0.23 0.00 -0.02 0.00 0.00 57.16 56.16 2xfk n GLU 351 Cb 0.55 -1.44 -0.13 0.00 -0.02 0.00 0.00 31.44 30.40 2xfk n GLU 351 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2xfk s VAL 352 N -1.92 1.49 0.17 2.62 1.01 -1.26 -5.09 120.40 117.41 2xfk s VAL 352 Ca 0.36 -1.24 -0.34 0.00 0.00 0.00 0.00 61.98 60.77 2xfk s VAL 352 Cb 0.19 -1.33 -0.15 0.00 0.00 0.00 0.00 36.38 35.10 2xfk s VAL 352 CO 0.31 0.05 1.43 0.41 0.00 0.00 0.00 175.10 177.30 2xfk n THR 353 N 1.63 0.38 -1.02 3.92 -1.04 -1.26 -1.74 114.28 115.14 2xfk n THR 353 Ca -0.18 -0.10 -0.05 0.00 -2.04 0.00 0.00 64.05 61.68 2xfk n THR 353 Cb 0.54 -1.29 -0.02 0.00 -1.82 0.00 0.00 70.33 67.74 2xfk n THR 353 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2xfk n GLN 354 N 2.63 -1.82 -3.78 -2.82 3.00 -1.26 -4.96 117.38 108.36 2xfk n GLN 354 Ca 0.15 0.59 -0.28 0.00 -0.01 0.00 0.00 57.00 57.46 2xfk n GLN 354 Cb 0.27 -4.79 -0.03 0.00 0.00 0.00 0.00 30.24 25.69 2xfk n GLN 354 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.06 176.41 2xfk s GLN 355 N -2.18 3.50 0.26 -1.09 -0.21 -0.71 -1.78 119.66 117.43 2xfk s GLN 355 Ca 0.00 -0.41 -0.09 0.00 0.02 0.00 0.00 55.36 54.88 2xfk s GLN 355 Cb 0.00 -2.89 -0.01 0.00 1.00 0.00 0.00 33.01 31.11 2xfk s GLN 355 CO 0.00 0.46 0.43 -1.54 -2.12 0.00 0.00 175.29 172.52 2xfk s SER 356 N -3.09 0.12 0.16 5.90 1.04 -0.08 -0.42 113.70 117.32 2xfk s SER 356 Ca 0.37 -1.10 0.01 0.00 0.48 0.00 0.00 55.95 55.71 2xfk s SER 356 Cb -0.11 0.57 -0.04 0.00 0.10 0.00 0.00 66.02 66.54 2xfk s SER 356 CO 0.29 -1.13 0.03 0.72 0.98 0.00 0.00 173.24 174.12 2xfk s PHE 357 N -3.84 1.09 0.12 5.02 -0.12 -0.96 -0.80 117.98 118.48 2xfk s PHE 357 Ca 0.26 -1.12 0.10 0.00 -0.05 0.00 0.00 56.93 56.13 2xfk s PHE 357 Cb 0.00 -0.62 -0.04 0.00 -0.63 0.00 0.00 43.02 41.74 2xfk s PHE 357 CO 0.11 -0.34 -0.26 -0.98 -0.05 0.00 0.00 175.22 173.70 2xfk s ARG 358 N -3.98 1.38 -0.08 1.99 1.70 0.40 -0.30 118.95 120.07 2xfk s ARG 358 Ca 0.25 -1.29 0.03 0.00 -0.47 0.00 0.00 55.73 54.24 2xfk s ARG 358 Cb 0.07 -1.81 -0.02 0.00 -0.57 0.00 0.00 34.95 32.62 2xfk s ARG 358 CO 0.04 0.43 -0.16 0.96 -1.08 0.00 0.00 175.30 175.48 2xfk s ILE 359 N -1.05 2.84 -0.13 4.99 -4.36 -0.26 -1.20 121.20 122.03 2xfk s ILE 359 Ca 0.12 -0.78 0.00 0.00 -0.26 0.00 0.00 60.65 59.74 2xfk s ILE 359 Cb -0.10 -2.13 -0.01 0.00 1.25 0.00 0.00 42.46 41.47 2xfk s ILE 359 CO 0.05 0.56 -0.15 -0.89 0.24 0.00 0.00 174.94 174.76 2xfk s THR 360 N -0.23 2.89 -0.17 8.37 2.01 -0.14 -1.27 115.64 127.09 2xfk s THR 360 Ca 0.00 -0.72 -0.04 0.00 0.31 0.00 0.00 61.69 61.24 2xfk s THR 360 Cb -0.13 -2.20 -0.03 0.00 0.01 0.00 0.00 72.50 70.15 2xfk s THR 360 CO 0.03 0.53 -0.02 -0.63 -0.69 0.00 0.00 174.62 173.84 2xfk s ILE 361 N 0.38 3.97 0.44 1.82 -1.09 0.84 -3.26 121.20 124.31 2xfk s ILE 361 Ca -0.12 -0.32 -0.01 0.00 -2.23 0.00 0.00 60.65 57.98 2xfk s ILE 361 Cb -0.16 -2.77 -0.01 0.00 -1.58 0.00 0.00 42.46 37.94 2xfk s ILE 361 CO 0.06 0.47 0.67 -0.76 -1.23 0.00 0.00 174.94 174.15 2xfk s LEU 362 N 0.61 3.69 0.56 2.97 1.43 -1.26 -1.10 118.68 125.58 2xfk s LEU 362 Ca -0.01 0.42 0.26 0.00 -1.03 0.00 0.00 54.13 53.76 2xfk s LEU 362 Cb -0.14 -3.29 1.61 0.00 0.03 0.00 0.00 46.19 44.39 2xfk s LEU 362 CO 0.02 -0.63 2.18 1.55 0.23 0.00 0.00 176.35 179.71 2xfk h PRO 363 N 0.42 0.00 0.00 1.29 0.13 -1.88 0.00 132.00 131.96 2xfk h PRO 363 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2xfk h PRO 363 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2xfk h PRO 363 CO 0.59 0.04 0.00 1.96 -0.23 0.00 0.00 178.00 180.36 2xfk h GLN 364 N 0.00 0.00 0.02 0.86 7.50 -1.94 -0.11 115.11 121.44 2xfk h GLN 364 Ca -0.00 0.00 -0.24 0.00 0.50 0.00 0.00 58.65 58.91 2xfk h GLN 364 Cb 0.10 0.00 -0.03 0.00 0.05 0.00 0.00 27.48 27.60 2xfk h GLN 364 CO 0.01 0.00 -1.29 1.96 -1.50 0.00 0.00 178.83 178.01 2xfk h GLN 365 N 0.00 0.05 -0.01 1.46 4.20 -1.31 -3.41 115.11 116.09 2xfk h GLN 365 Ca 0.00 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.62 2xfk h GLN 365 Cb 0.03 0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.84 2xfk h GLN 365 CO 0.00 1.04 -0.23 2.48 -0.67 0.00 0.00 178.83 181.45 2xfk n TYR 366 N -4.29 0.00 -3.55 2.96 0.18 -1.00 -4.41 117.16 107.05 2xfk n TYR 366 Ca -0.30 0.00 -0.41 0.00 1.88 0.00 0.00 57.90 59.06 2xfk n TYR 366 Cb 0.73 -0.17 -0.09 0.00 -0.38 0.00 0.00 39.34 39.43 2xfk n TYR 366 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 2xfk s LEU 367 N -2.57 5.22 -0.19 -3.48 1.43 -0.09 -0.49 118.68 118.51 2xfk s LEU 367 Ca 0.24 -1.39 -0.22 0.00 -1.03 0.00 0.00 54.13 51.73 2xfk s LEU 367 Cb 0.19 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 44.35 2xfk s LEU 367 CO 0.53 -0.55 0.67 -0.60 0.23 0.00 0.00 176.35 176.63 2xfk s ARG 368 N 1.50 4.23 0.35 1.70 3.52 0.65 -4.77 118.95 126.14 2xfk s ARG 368 Ca 0.03 0.69 -0.28 0.00 -0.13 0.00 0.00 55.73 56.05 2xfk s ARG 368 Cb -0.23 -3.58 -0.09 0.00 -1.56 0.00 0.00 34.95 29.49 2xfk s ARG 368 CO 0.04 -0.26 1.24 -1.25 -0.81 0.00 0.00 175.30 174.26 2xfk s PRO 369 N 1.96 4.27 -0.32 5.12 0.05 -1.26 -0.71 135.00 144.10 2xfk s PRO 369 Ca 0.30 2.05 -0.02 0.00 0.05 0.00 0.00 61.00 63.39 2xfk s PRO 369 Cb -0.16 -2.95 0.06 0.00 0.05 0.00 0.00 34.50 31.50 2xfk s PRO 369 CO 0.11 -0.20 0.03 0.08 0.05 0.00 0.00 177.00 177.06 2xfk s VAL 370 N -1.23 3.03 0.01 -0.36 1.01 -0.27 -4.86 120.40 117.73 2xfk s VAL 370 Ca 0.51 -1.49 -0.30 0.00 0.00 0.00 0.00 61.98 60.70 2xfk s VAL 370 Cb -0.36 -2.80 -0.05 0.00 0.00 0.00 0.00 36.38 33.18 2xfk s VAL 370 CO 0.47 -0.20 1.21 -0.70 0.00 0.00 0.00 175.10 175.88 2xfk s GLU 371 N 1.23 4.40 -0.30 2.72 2.12 -1.26 -4.56 118.70 123.05 2xfk s GLU 371 Ca -0.03 1.74 -0.05 0.00 0.36 0.00 0.00 54.97 56.99 2xfk s GLU 371 Cb -0.20 -3.44 0.16 0.00 0.26 0.00 0.00 34.13 30.91 2xfk s GLU 371 CO -0.02 -0.34 0.61 0.34 -0.54 0.00 0.00 175.26 175.31 2xfk s ASP 372 N 1.27 -1.25 0.37 -1.70 -1.08 -1.26 -5.03 116.67 108.00 2xfk s ASP 372 Ca 0.58 1.14 0.11 0.00 -0.52 0.00 0.00 52.55 53.86 2xfk s ASP 372 Cb -0.28 2.19 0.89 0.00 -1.46 0.00 0.00 42.92 44.27 2xfk s ASP 372 CO 0.26 -0.24 1.87 0.58 0.52 0.00 0.00 175.17 178.16 2xfk h VAL 373 N 6.01 0.80 -0.15 1.11 2.07 -1.99 -1.63 116.25 122.47 2xfk h VAL 373 Ca -0.21 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 2xfk h VAL 373 Cb 1.14 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 2xfk h VAL 373 CO 0.20 0.11 0.01 0.00 0.02 0.00 0.00 177.57 177.91 2xfk h ALA 374 N 1.61 1.74 -0.67 1.67 0.00 -2.01 -2.31 119.26 119.29 2xfk h ALA 374 Ca 0.44 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2xfk h ALA 374 Cb 0.81 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.53 2xfk h ALA 374 CO -0.19 0.20 0.00 0.25 0.00 0.00 0.00 179.25 179.51 2xfk n THR 375 N -4.42 1.22 1.57 0.00 -2.24 -0.63 -4.72 114.28 105.07 2xfk n THR 375 Ca -0.01 -1.06 0.12 0.00 -2.27 0.00 0.00 64.05 60.83 2xfk n THR 375 Cb 0.15 0.40 0.70 0.00 -2.10 0.00 0.00 70.33 69.49 2xfk n THR 375 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2xfk n SER 376 N 1.39 0.00 0.25 3.42 3.41 -0.87 -0.78 113.62 120.44 2xfk n SER 376 Ca 0.24 -0.83 0.17 0.00 -0.26 0.00 0.00 58.87 58.18 2xfk n SER 376 Cb 0.67 0.00 0.74 0.00 -0.26 0.00 0.00 64.21 65.36 2xfk n SER 376 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 2xfk h GLN 377 N 0.00 0.00 -5.87 4.33 3.07 -1.84 -3.45 115.11 111.35 2xfk h GLN 377 Ca 0.00 0.00 -0.62 0.00 0.09 0.00 0.00 58.65 58.12 2xfk h GLN 377 Cb 0.00 0.00 -0.13 0.00 0.08 0.00 0.00 27.48 27.43 2xfk h GLN 377 CO 0.00 0.00 -0.65 -0.51 0.09 0.00 0.00 178.83 177.76 2xfk s ASP 378 N -5.12 3.81 -0.21 0.06 1.11 0.04 -1.79 116.67 114.57 2xfk s ASP 378 Ca 0.00 -1.23 -0.09 0.00 0.18 0.00 0.00 52.55 51.41 2xfk s ASP 378 Cb 0.10 -0.38 -0.04 0.00 1.07 0.00 0.00 42.92 43.66 2xfk s ASP 378 CO 0.46 -0.28 0.11 -1.81 1.18 0.00 0.00 175.17 174.83 2xfk s ASP 379 N -3.65 5.87 0.04 0.27 -0.00 0.31 -4.64 116.67 114.87 2xfk s ASP 379 Ca 0.33 0.09 0.08 0.00 -0.00 0.00 0.00 52.55 53.06 2xfk s ASP 379 Cb 0.04 -2.04 -0.03 0.00 -0.00 0.00 0.00 42.92 40.90 2xfk s ASP 379 CO 0.17 0.11 -0.24 0.00 -0.00 0.00 0.00 175.17 175.21 2xfk s TYR 381 N -0.79 0.66 -0.07 0.00 1.51 -0.15 -1.11 117.35 117.41 2xfk s TYR 381 Ca 0.10 -0.46 -0.02 0.00 -1.01 0.00 0.00 57.07 55.68 2xfk s TYR 381 Cb -0.10 -0.40 -0.04 0.00 -0.11 0.00 0.00 41.96 41.32 2xfk s TYR 381 CO 0.02 -0.07 0.05 0.15 -1.11 0.00 0.00 175.55 174.58 2xfk s LYS 382 N -1.45 3.08 -0.18 -0.62 1.02 0.11 -1.39 119.74 120.32 2xfk s LYS 382 Ca -0.09 -0.38 -0.29 0.00 0.02 0.00 0.00 55.97 55.23 2xfk s LYS 382 Cb -0.09 -2.88 -0.03 0.00 -0.52 0.00 0.00 37.83 34.30 2xfk s LYS 382 CO 0.00 0.70 1.54 0.12 -0.92 0.00 0.00 175.35 176.80 2xfk s PHE 383 N -1.00 2.24 -0.40 3.18 5.36 -1.26 -0.25 117.98 125.85 2xfk s PHE 383 Ca 0.16 0.56 0.06 0.00 -0.96 0.00 0.00 56.93 56.75 2xfk s PHE 383 Cb -0.12 -3.88 0.60 0.00 -0.34 0.00 0.00 43.02 39.29 2xfk s PHE 383 CO 0.06 -2.86 1.75 0.00 -1.46 0.00 0.00 175.22 172.71 2xfk n ALA 384 N 7.76 5.16 -3.12 11.12 0.00 0.36 -4.54 120.51 137.26 2xfk n ALA 384 Ca 0.17 -3.02 -0.32 0.00 0.00 0.00 0.00 53.44 50.27 2xfk n ALA 384 Cb 0.45 -1.19 -0.16 0.00 0.00 0.00 0.00 19.45 18.55 2xfk n ALA 384 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2xfk s ILE 385 N -3.34 2.54 0.18 0.00 1.01 -1.26 -1.49 121.20 118.84 2xfk s ILE 385 Ca 0.53 -0.85 -0.09 0.00 0.00 0.00 0.00 60.65 60.24 2xfk s ILE 385 Cb 0.45 -2.02 -0.01 0.00 0.01 0.00 0.00 42.46 40.90 2xfk s ILE 385 CO 0.06 0.54 0.30 -0.94 0.00 0.00 0.00 174.94 174.91 2xfk s SER 386 N 0.30 0.03 0.38 3.58 1.04 -0.57 -4.82 113.70 113.63 2xfk s SER 386 Ca -0.14 -0.92 -0.12 0.00 0.48 0.00 0.00 55.95 55.25 2xfk s SER 386 Cb -0.17 0.46 -0.07 0.00 0.10 0.00 0.00 66.02 66.34 2xfk s SER 386 CO 0.07 -0.93 0.76 0.00 0.98 0.00 0.00 173.24 174.12 2xfk s GLN 387 N -3.99 3.84 0.02 4.02 -2.07 -1.26 -0.72 119.66 119.50 2xfk s GLN 387 Ca 0.20 0.53 0.02 0.00 -1.82 0.00 0.00 55.36 54.28 2xfk s GLN 387 Cb 0.03 -2.40 -0.01 0.00 -1.09 0.00 0.00 33.01 29.53 2xfk s GLN 387 CO 0.02 0.02 -0.06 0.45 -1.32 0.00 0.00 175.29 174.41 2xfk s SER 388 N -2.89 0.65 0.00 12.60 0.15 0.48 -4.71 113.70 119.98 2xfk s SER 388 Ca 0.52 -0.33 0.15 0.00 0.70 0.00 0.00 55.95 56.99 2xfk s SER 388 Cb -0.10 -0.00 0.32 0.00 -1.71 0.00 0.00 66.02 64.53 2xfk s SER 388 CO 0.27 -0.09 1.23 -1.54 1.20 0.00 0.00 173.24 174.31 2xfk n SER 389 N 2.17 2.95 -0.44 5.45 3.41 -1.26 -2.79 113.62 123.12 2xfk n SER 389 Ca -0.18 -1.88 0.07 0.00 -0.26 0.00 0.00 58.87 56.61 2xfk n SER 389 Cb 0.56 -0.22 0.14 0.00 -0.26 0.00 0.00 64.21 64.43 2xfk n SER 389 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2xfk n THR 390 N 0.89 1.60 -0.06 6.66 -2.24 -1.26 -4.87 114.28 115.00 2xfk n THR 390 Ca 0.14 -2.22 0.00 0.00 -2.27 0.00 0.00 64.05 59.70 2xfk n THR 390 Cb 0.46 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 2xfk n THR 390 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2xfk n GLY 391 N -0.98 -3.84 3.75 3.38 0.00 -1.21 -4.45 105.19 101.84 2xfk n GLY 391 Ca 0.14 -2.05 -0.41 0.00 0.00 0.00 0.00 46.02 43.70 2xfk n GLY 391 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2xfk s THR 392 N -0.85 3.64 -0.20 2.61 2.01 -0.21 -4.34 115.64 118.30 2xfk s THR 392 Ca 0.00 1.54 0.01 0.00 0.31 0.00 0.00 61.69 63.55 2xfk s THR 392 Cb 0.00 -3.98 0.04 0.00 0.01 0.00 0.00 72.50 68.57 2xfk s THR 392 CO 0.00 0.32 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.46 2xfk s VAL 393 N -0.74 1.65 -0.88 3.82 1.01 -0.16 -1.48 120.40 123.62 2xfk s VAL 393 Ca 0.47 -1.03 -0.20 0.00 0.00 0.00 0.00 61.98 61.22 2xfk s VAL 393 Cb -0.31 -1.73 0.11 0.00 0.00 0.00 0.00 36.38 34.45 2xfk s VAL 393 CO 0.38 0.16 1.12 -0.04 0.00 0.00 0.00 175.10 176.71 2xfk s MET 394 N 1.39 3.50 0.00 2.72 -1.94 0.22 -0.44 119.30 124.75 2xfk s MET 394 Ca -0.02 -1.54 0.00 0.00 -1.71 0.00 0.00 55.69 52.42 2xfk s MET 394 Cb -0.16 -4.82 0.00 0.00 2.01 0.00 0.00 34.83 31.86 2xfk s MET 394 CO -0.08 -1.81 0.00 0.41 -0.01 0.00 0.00 175.02 173.53 2xfk n GLY 395 N 5.57 -0.10 0.34 -0.03 0.00 -0.76 -1.29 105.19 108.91 2xfk n GLY 395 Ca 0.19 -1.79 0.04 0.00 0.00 0.00 0.00 46.02 44.46 2xfk n GLY 395 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xfk h ALA 396 N -1.38 1.65 0.00 4.61 0.00 -0.43 -1.61 119.26 122.10 2xfk h ALA 396 Ca 0.00 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2xfk h ALA 396 Cb 0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 2xfk h ALA 396 CO 0.00 0.28 -0.12 -0.39 0.00 0.00 0.00 179.25 179.02 2xfk h VAL 397 N 0.76 0.39 0.17 0.00 -1.51 -1.50 0.14 116.25 114.70 2xfk h VAL 397 Ca 0.26 -0.68 -0.26 0.00 -1.23 0.00 0.00 66.70 64.79 2xfk h VAL 397 Cb 0.08 1.49 0.02 0.00 -2.13 0.00 0.00 31.29 30.75 2xfk h VAL 397 CO -0.07 0.12 -1.21 0.40 -1.23 0.00 0.00 177.57 175.58 2xfk h ILE 398 N 0.00 1.30 -0.01 7.19 1.08 -1.59 -3.35 117.51 122.13 2xfk h ILE 398 Ca -0.00 -2.55 -0.09 0.00 -0.39 0.00 0.00 64.86 61.82 2xfk h ILE 398 Cb 0.48 3.02 -0.01 0.00 -3.07 0.00 0.00 36.82 37.24 2xfk h ILE 398 CO 0.02 0.75 -0.43 0.24 -0.69 0.00 0.00 178.15 178.04 2xfk h MET 399 N -0.17 0.02 -6.82 2.37 2.86 -0.82 -3.43 114.93 108.95 2xfk h MET 399 Ca -0.23 -0.01 -0.53 0.00 -2.06 0.00 0.00 59.70 56.87 2xfk h MET 399 Cb 1.86 -0.00 0.09 0.00 0.06 0.00 0.00 31.60 33.60 2xfk h MET 399 CO 0.17 0.45 0.89 0.39 1.06 0.00 0.00 176.91 179.87 2xfk n GLU 400 N -4.02 2.74 -0.95 1.72 1.02 0.43 -1.47 120.64 120.10 2xfk n GLU 400 Ca -0.02 0.97 0.00 0.00 -0.02 0.00 0.00 57.16 58.10 2xfk n GLU 400 Cb 0.46 -2.76 0.00 0.00 -0.02 0.00 0.00 31.44 29.12 2xfk n GLU 400 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2xfk n GLY 401 N 2.05 0.61 3.38 0.62 0.00 -1.05 -4.89 105.19 105.90 2xfk n GLY 401 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 2xfk n GLY 401 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2xfk s PHE 402 N -2.62 2.22 -0.28 1.61 0.40 -0.54 -1.47 117.98 117.30 2xfk s PHE 402 Ca 0.00 -0.38 -0.15 0.00 -0.60 0.00 0.00 56.93 55.80 2xfk s PHE 402 Cb 0.00 -1.17 -0.03 0.00 0.51 0.00 0.00 43.02 42.32 2xfk s PHE 402 CO 0.00 0.36 0.36 -0.47 0.70 0.00 0.00 175.22 176.17 2xfk s TYR 403 N -1.26 3.24 -0.20 0.36 5.04 0.87 -4.30 117.35 121.10 2xfk s TYR 403 Ca 0.15 0.34 -0.01 0.00 -2.44 0.00 0.00 57.07 55.11 2xfk s TYR 403 Cb -0.09 -2.58 0.01 0.00 0.35 0.00 0.00 41.96 39.65 2xfk s TYR 403 CO 0.07 -0.25 -0.13 0.08 -1.34 0.00 0.00 175.55 173.97 2xfk s VAL 404 N 2.05 2.57 -0.29 3.14 1.01 -0.48 -1.67 120.40 126.73 2xfk s VAL 404 Ca 0.14 -0.81 -0.09 0.00 0.00 0.00 0.00 61.98 61.22 2xfk s VAL 404 Cb -0.16 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 2xfk s VAL 404 CO 0.10 0.47 0.14 -0.69 0.00 0.00 0.00 175.10 175.12 2xfk s VAL 405 N 1.35 4.68 -0.98 2.92 1.01 0.44 -0.23 120.40 129.60 2xfk s VAL 405 Ca 0.05 -0.27 -0.15 0.00 0.00 0.00 0.00 61.98 61.61 2xfk s VAL 405 Cb -0.14 -3.32 0.18 0.00 0.00 0.00 0.00 36.38 33.10 2xfk s VAL 405 CO -0.09 0.15 1.08 -0.36 0.00 0.00 0.00 175.10 175.89 2xfk s PHE 406 N 1.64 3.50 -1.21 5.22 0.08 0.12 -0.86 117.98 126.47 2xfk s PHE 406 Ca 0.05 -1.85 -0.12 0.00 0.12 0.00 0.00 56.93 55.14 2xfk s PHE 406 Cb -0.16 -4.11 0.19 0.00 -0.57 0.00 0.00 43.02 38.36 2xfk s PHE 406 CO 0.07 -1.27 1.51 -3.47 -0.10 0.00 0.00 175.22 171.95 2xfk n ASP 407 N 5.23 5.27 -0.23 1.36 -0.08 -0.36 -2.43 116.55 125.31 2xfk n ASP 407 Ca 0.24 -3.03 -0.02 0.00 -1.51 0.00 0.00 54.79 50.47 2xfk n ASP 407 Cb 0.46 -1.52 0.19 0.00 2.34 0.00 0.00 41.12 42.59 2xfk n ASP 407 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 2xfk h ARG 408 N 6.70 1.02 -0.88 -0.67 3.08 -1.73 -1.06 114.38 120.84 2xfk h ARG 408 Ca 0.32 -0.12 0.10 0.00 0.07 0.00 0.00 59.98 60.35 2xfk h ARG 408 Cb 0.81 -0.20 -0.06 0.00 0.08 0.00 0.00 29.97 30.59 2xfk h ARG 408 CO 1.31 0.76 0.57 0.00 -1.07 0.00 0.00 179.97 181.54 2xfk h ALA 409 N 1.40 1.67 -0.32 0.04 0.00 -1.57 -2.32 119.26 118.16 2xfk h ALA 409 Ca 0.26 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 2xfk h ALA 409 Cb 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.64 2xfk h ALA 409 CO -0.04 0.14 0.00 0.54 0.00 0.00 0.00 179.25 179.89 2xfk n ARG 410 N -4.53 2.98 -3.86 0.00 1.74 -0.97 -4.99 116.66 107.02 2xfk n ARG 410 Ca 0.15 -2.49 -0.25 0.00 -0.77 0.00 0.00 57.85 54.49 2xfk n ARG 410 Cb 0.33 -1.59 -0.00 0.00 -1.02 0.00 0.00 32.46 30.18 2xfk n ARG 410 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2xfk n LYS 411 N 0.06 -3.41 -3.72 5.56 5.02 -0.46 -4.91 118.16 116.30 2xfk n LYS 411 Ca 0.17 0.46 -0.10 0.00 -2.02 0.00 0.00 58.31 56.82 2xfk n LYS 411 Cb 0.69 -4.62 -0.06 0.00 -0.02 0.00 0.00 35.03 31.01 2xfk n LYS 411 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2xfk s ARG 412 N -6.35 0.96 -0.11 1.97 1.70 -0.87 -0.99 118.95 115.26 2xfk s ARG 412 Ca 0.06 -0.76 0.02 0.00 -0.47 0.00 0.00 55.73 54.58 2xfk s ARG 412 Cb -0.02 0.41 0.01 0.00 -0.57 0.00 0.00 34.95 34.78 2xfk s ARG 412 CO 0.87 -0.35 -0.18 0.42 -1.08 0.00 0.00 175.30 174.98 2xfk s ILE 413 N -3.65 1.72 -0.12 4.99 1.01 0.47 -1.23 121.20 124.40 2xfk s ILE 413 Ca 0.03 -0.79 -0.06 0.00 0.00 0.00 0.00 60.65 59.83 2xfk s ILE 413 Cb 0.03 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.91 2xfk s ILE 413 CO -0.10 0.49 0.11 -0.83 0.00 0.00 0.00 174.94 174.60 2xfk s GLY 414 N 0.82 2.09 -0.05 6.18 0.00 -0.04 -0.47 107.32 115.85 2xfk s GLY 414 Ca -0.09 -0.68 0.06 0.00 0.00 0.00 0.00 44.72 44.02 2xfk s GLY 414 CO 0.00 -0.40 -0.25 -1.36 0.00 0.00 0.00 173.10 171.10 2xfk s PHE 415 N -0.94 2.36 0.06 1.90 0.40 0.74 -0.42 117.98 122.08 2xfk s PHE 415 Ca 0.14 -0.65 -0.06 0.00 -0.60 0.00 0.00 56.93 55.76 2xfk s PHE 415 Cb -0.12 -1.54 -0.01 0.00 0.51 0.00 0.00 43.02 41.86 2xfk s PHE 415 CO 0.03 -0.18 0.12 0.00 0.70 0.00 0.00 175.22 175.89 2xfk s ALA 416 N -0.23 -0.05 0.16 5.36 0.00 -0.67 -1.06 121.76 125.26 2xfk s ALA 416 Ca -0.01 -0.66 -0.32 0.00 0.00 0.00 0.00 51.96 50.98 2xfk s ALA 416 Cb -0.13 0.34 -0.10 0.00 0.00 0.00 0.00 23.12 23.23 2xfk s ALA 416 CO 0.03 -0.40 1.59 0.08 0.00 0.00 0.00 175.76 177.06 2xfk s VAL 417 N -3.25 2.62 0.43 0.00 1.01 -1.25 -0.09 120.40 119.87 2xfk s VAL 417 Ca 0.00 0.41 -0.19 0.00 0.00 0.00 0.00 61.98 62.21 2xfk s VAL 417 Cb 0.02 -3.27 -0.10 0.00 0.00 0.00 0.00 36.38 33.04 2xfk s VAL 417 CO -0.08 0.03 0.93 -0.55 0.00 0.00 0.00 175.10 175.43 2xfk s SER 418 N 1.28 6.84 0.60 3.32 0.15 -0.54 -1.70 113.70 123.65 2xfk s SER 418 Ca 0.71 1.60 0.29 0.00 0.70 0.00 0.00 55.95 59.25 2xfk s SER 418 Cb -0.44 -2.51 1.60 0.00 -1.71 0.00 0.00 66.02 62.96 2xfk s SER 418 CO 0.31 -0.39 2.00 0.00 1.20 0.00 0.00 173.24 176.36 2xfk h ALA 419 N 1.72 1.88 -0.91 5.45 0.00 -1.34 -0.82 119.26 125.24 2xfk h ALA 419 Ca -0.48 -0.01 -0.61 0.00 0.00 0.00 0.00 54.91 53.81 2xfk h ALA 419 Cb 1.18 0.02 -0.31 0.00 0.00 0.00 0.00 17.79 18.68 2xfk h ALA 419 CO 0.62 -0.47 0.48 0.00 0.00 0.00 0.00 179.25 179.88 2xfk n HIS 421 N -0.92 1.16 -3.55 0.00 -0.00 -0.31 -4.35 115.22 107.25 2xfk n HIS 421 Ca 0.57 0.40 -0.35 0.00 -0.00 0.00 0.00 57.72 58.35 2xfk n HIS 421 Cb 0.86 -2.08 -0.05 0.00 -0.00 0.00 0.00 29.99 28.71 2xfk n HIS 421 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 2xfk s VAL 422 N -2.24 5.07 -0.10 0.61 -7.23 -1.26 -4.99 120.40 110.26 2xfk s VAL 422 Ca 0.72 0.50 -0.31 0.00 -1.81 0.00 0.00 61.98 61.08 2xfk s VAL 422 Cb -0.28 -3.66 0.12 0.00 0.56 0.00 0.00 36.38 33.13 2xfk s VAL 422 CO 0.52 0.29 1.02 -1.38 -0.31 0.00 0.00 175.10 175.24 2xfk s HIS 423 N -1.40 -0.28 0.00 2.82 -3.43 -1.26 -1.95 115.29 109.79 2xfk s HIS 423 Ca 0.33 0.27 0.00 0.00 -0.80 0.00 0.00 55.06 54.86 2xfk s HIS 423 Cb -0.14 0.51 0.00 0.00 -1.43 0.00 0.00 32.58 31.52 2xfk s HIS 423 CO 0.18 -0.39 0.00 -0.40 -2.00 0.00 0.00 174.74 172.13 2xfk n ASP 424 N 0.05 1.31 -0.02 7.38 5.68 -0.77 -5.01 116.55 125.16 2xfk n ASP 424 Ca -0.06 0.00 0.14 0.00 -0.50 0.00 0.00 54.79 54.37 2xfk n ASP 424 Cb 0.60 0.00 0.69 0.00 -1.14 0.00 0.00 41.12 41.26 2xfk n ASP 424 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2xfk n GLU 425 N 0.00 0.40 -0.07 0.11 0.00 -1.26 -3.99 120.64 115.83 2xfk n GLU 425 Ca 0.00 -0.05 -0.08 0.00 0.00 0.00 0.00 57.16 57.03 2xfk n GLU 425 Cb 0.00 -1.50 -0.08 0.00 0.00 0.00 0.00 31.44 29.86 2xfk n GLU 425 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 2xfk n PHE 426 N -1.26 0.00 -4.02 -1.84 3.01 -1.26 -5.06 117.46 107.02 2xfk n PHE 426 Ca 0.13 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.50 2xfk n PHE 426 Cb 0.27 -0.58 -0.11 0.00 -0.01 0.00 0.00 39.48 39.05 2xfk n PHE 426 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2xfk s ARG 427 N -2.29 0.43 -0.00 -1.08 0.52 -1.26 -5.16 118.95 110.11 2xfk s ARG 427 Ca -0.13 -0.80 0.01 0.00 -0.52 0.00 0.00 55.73 54.29 2xfk s ARG 427 Cb 0.04 0.07 -0.00 0.00 0.52 0.00 0.00 34.95 35.58 2xfk s ARG 427 CO 0.41 -0.05 -0.05 0.99 0.02 0.00 0.00 175.30 176.63 2xfk s THR 428 N -2.12 0.37 0.66 0.02 2.01 -1.26 -1.85 115.64 113.48 2xfk s THR 428 Ca -0.09 -0.24 -0.18 0.00 0.31 0.00 0.00 61.69 61.50 2xfk s THR 428 Cb -0.05 -0.33 -0.00 0.00 0.01 0.00 0.00 72.50 72.13 2xfk s THR 428 CO -0.03 0.08 1.28 0.00 -0.69 0.00 0.00 174.62 175.26 2xfk n ALA 429 N 2.89 1.03 -2.82 7.40 0.00 -0.82 -4.99 120.51 123.20 2xfk n ALA 429 Ca -0.13 -0.03 -0.10 0.00 0.00 0.00 0.00 53.44 53.18 2xfk n ALA 429 Cb 0.58 -2.31 -0.09 0.00 0.00 0.00 0.00 19.45 17.63 2xfk n ALA 429 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2xfk s ALA 430 N -1.45 -0.21 -0.16 0.00 0.00 -1.20 -4.96 121.76 113.77 2xfk s ALA 430 Ca 0.82 -0.40 -0.01 0.00 0.00 0.00 0.00 51.96 52.37 2xfk s ALA 430 Cb -0.37 0.25 0.04 0.00 0.00 0.00 0.00 23.12 23.04 2xfk s ALA 430 CO 0.41 -0.33 -0.05 0.08 0.00 0.00 0.00 175.76 175.88 2xfk s VAL 431 N -2.48 1.09 0.02 0.00 1.01 -1.26 -0.97 120.40 117.82 2xfk s VAL 431 Ca -0.06 -0.61 -0.09 0.00 0.00 0.00 0.00 61.98 61.23 2xfk s VAL 431 Cb -0.02 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 35.10 2xfk s VAL 431 CO -0.04 0.13 0.17 -1.83 0.00 0.00 0.00 175.10 173.53 2xfk s GLU 432 N 1.64 0.58 -0.00 2.72 -1.05 -0.34 -4.88 118.70 117.38 2xfk s GLU 432 Ca 0.01 -0.50 -0.08 0.00 -0.15 0.00 0.00 54.97 54.25 2xfk s GLU 432 Cb -0.15 0.24 0.03 0.00 -0.44 0.00 0.00 34.13 33.81 2xfk s GLU 432 CO -0.08 -0.15 0.35 0.41 0.95 0.00 0.00 175.26 176.74 2xfk n GLY 433 N 1.10 0.55 3.92 -3.83 0.00 -1.26 -0.45 105.19 105.21 2xfk n GLY 433 Ca -0.21 -0.90 -0.26 0.00 0.00 0.00 0.00 46.02 44.65 2xfk n GLY 433 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2xfk s PRO 434 N -2.00 3.54 0.07 1.61 0.04 -1.26 -5.09 135.00 131.91 2xfk s PRO 434 Ca 0.08 -0.01 0.10 0.00 0.04 0.00 0.00 61.00 61.20 2xfk s PRO 434 Cb -0.00 -2.52 -0.03 0.00 0.04 0.00 0.00 34.50 31.98 2xfk s PRO 434 CO -0.00 -0.01 -0.26 -0.06 0.04 0.00 0.00 177.00 176.71 2xfk s PHE 435 N -2.47 2.27 0.07 0.56 0.40 0.02 -4.97 117.98 113.86 2xfk s PHE 435 Ca 0.44 -0.40 0.09 0.00 -0.60 0.00 0.00 56.93 56.46 2xfk s PHE 435 Cb -0.10 -1.32 -0.03 0.00 0.51 0.00 0.00 43.02 42.08 2xfk s PHE 435 CO 0.39 0.19 -0.25 0.14 0.70 0.00 0.00 175.22 176.38 2xfk s VAL 436 N -0.89 2.06 0.03 -0.44 -7.23 -1.26 -0.90 120.40 111.77 2xfk s VAL 436 Ca 0.12 -1.44 0.08 0.00 -1.81 0.00 0.00 61.98 58.93 2xfk s VAL 436 Cb -0.10 -1.79 -0.03 0.00 0.56 0.00 0.00 36.38 35.03 2xfk s VAL 436 CO 0.03 0.26 -0.24 -0.89 -0.31 0.00 0.00 175.10 173.95 2xfk s THR 437 N -0.87 2.27 -0.01 5.32 2.01 -0.74 -5.02 115.64 118.60 2xfk s THR 437 Ca 0.11 -1.28 -0.19 0.00 0.31 0.00 0.00 61.69 60.64 2xfk s THR 437 Cb -0.10 -1.88 -0.33 0.00 0.01 0.00 0.00 72.50 70.20 2xfk s THR 437 CO 0.03 0.41 0.96 0.17 -0.69 0.00 0.00 174.62 175.50 2xfk h LEU 438 N 4.89 0.66 -9.43 4.42 -0.00 -2.01 -3.46 115.31 110.39 2xfk h LEU 438 Ca -0.46 -0.92 -0.53 0.00 -0.00 0.00 0.00 57.88 55.96 2xfk h LEU 438 Cb 1.14 -0.21 0.02 0.00 -0.00 0.00 0.00 40.66 41.61 2xfk h LEU 438 CO 0.45 1.53 1.08 -0.62 -0.00 0.00 0.00 178.44 180.89 2xfk s ASP 439 N -7.25 6.53 -0.08 0.17 3.68 -1.26 -4.90 116.67 113.56 2xfk s ASP 439 Ca -0.11 2.56 0.11 0.00 2.13 0.00 0.00 52.55 57.24 2xfk s ASP 439 Cb 0.03 -2.55 0.46 0.00 -1.45 0.00 0.00 42.92 39.40 2xfk s ASP 439 CO 0.89 -0.95 1.30 0.23 0.13 0.00 0.00 175.17 176.77 2xfk n MET 440 N 6.17 2.80 -1.98 4.34 2.81 -1.26 -4.94 117.12 125.04 2xfk n MET 440 Ca 0.17 -1.82 -0.41 0.00 -1.81 0.00 0.00 57.70 53.84 2xfk n MET 440 Cb 0.40 -1.69 -0.02 0.00 -0.71 0.00 0.00 33.22 31.21 2xfk n MET 440 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2xfk s GLU 441 N -1.77 4.25 -0.02 0.03 2.12 -1.26 -4.98 118.70 117.08 2xfk s GLU 441 Ca 0.32 2.36 -0.30 0.00 0.36 0.00 0.00 54.97 57.71 2xfk s GLU 441 Cb 0.21 -3.05 -0.03 0.00 0.26 0.00 0.00 34.13 31.51 2xfk s GLU 441 CO 0.15 -0.38 1.10 0.34 -0.54 0.00 0.00 175.26 175.94 2xfk s ASP 442 N -0.07 7.19 0.00 -1.70 2.15 -1.26 -4.94 116.67 118.03 2xfk s ASP 442 Ca 0.54 1.77 0.26 0.00 0.43 0.00 0.00 52.55 55.56 2xfk s ASP 442 Cb -0.43 -2.57 0.77 0.00 -0.30 0.00 0.00 42.92 40.40 2xfk s ASP 442 CO 0.52 -0.44 1.58 0.00 -0.17 0.00 0.00 175.17 176.67 2xfk s GLY 444 N -2.68 2.98 -0.08 0.00 0.00 -1.26 -3.80 107.32 102.48 2xfk s GLY 444 Ca 0.20 1.16 -0.23 0.00 0.00 0.00 0.00 44.72 45.85 2xfk s GLY 444 CO 0.57 1.81 0.81 -1.82 0.00 0.00 0.00 173.10 174.48 2xfk h TYR 445 N 3.63 0.40 0.00 1.90 3.20 -1.84 -3.47 116.97 120.80 2xfk h TYR 445 Ca -0.48 -0.30 0.00 0.00 3.14 0.00 0.00 58.73 61.09 2xfk h TYR 445 Cb 1.22 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.48 2xfk h TYR 445 CO 0.57 1.28 0.00 0.09 -1.64 0.00 0.00 178.16 178.46 2xfk n ASN 446 N -4.21 0.00 0.00 -2.11 3.02 -1.26 -5.11 115.26 105.58 2xfk n ASN 446 Ca -0.15 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.40 2xfk n ASN 446 Cb 0.76 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.93 2xfk n ASN 446 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64