#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xfj n MET 63 N 0.00 0.43 -1.97 3.44 2.81 -1.26 -4.71 117.12 115.86 2xfj n MET 63 Ca 0.00 -0.03 -0.41 0.00 -1.81 0.00 0.00 57.70 55.45 2xfj n MET 63 Cb 0.00 -1.61 -0.02 0.00 -0.71 0.00 0.00 33.22 30.88 2xfj n MET 63 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2xfj s VAL 64 N -3.31 2.47 -1.39 2.03 1.01 -1.26 -2.74 120.40 117.21 2xfj s VAL 64 Ca -0.00 0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.42 2xfj s VAL 64 Cb 0.13 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 33.23 2xfj s VAL 64 CO 0.83 0.09 0.00 0.47 0.00 0.00 0.00 175.10 176.50 2xfj n ASP 65 N 1.28 -4.64 -0.28 3.32 8.00 -1.21 -4.91 116.55 118.11 2xfj n ASP 65 Ca 0.03 0.12 0.15 0.00 0.71 0.00 0.00 54.79 55.80 2xfj n ASP 65 Cb 0.40 -3.67 0.70 0.00 -0.02 0.00 0.00 41.12 38.53 2xfj n ASP 65 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2xfj n ASN 66 N -0.72 0.88 -4.65 -2.24 6.94 -1.07 -4.83 115.26 109.58 2xfj n ASN 66 Ca -0.17 -1.29 -0.32 0.00 -0.02 0.00 0.00 54.58 52.78 2xfj n ASN 66 Cb 0.59 -0.00 -0.09 0.00 -2.36 0.00 0.00 39.78 37.91 2xfj n ASN 66 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2xfj s LEU 67 N -2.00 3.39 0.25 -4.53 1.43 -0.41 -4.37 118.68 112.44 2xfj s LEU 67 Ca 0.42 -0.07 0.02 0.00 -1.03 0.00 0.00 54.13 53.47 2xfj s LEU 67 Cb 0.21 -1.95 -0.05 0.00 0.03 0.00 0.00 46.19 44.43 2xfj s LEU 67 CO 0.35 0.27 0.06 -0.13 0.23 0.00 0.00 176.35 177.14 2xfj s ARG 68 N -1.56 1.39 -0.02 1.70 1.81 -0.71 -2.15 118.95 119.41 2xfj s ARG 68 Ca 0.19 -1.74 -0.29 0.00 -1.72 0.00 0.00 55.73 52.17 2xfj s ARG 68 Cb -0.11 -0.39 0.10 0.00 -0.45 0.00 0.00 34.95 34.09 2xfj s ARG 68 CO 0.10 -0.23 1.29 0.20 -0.68 0.00 0.00 175.30 175.98 2xfj s GLY 69 N -3.31 -0.17 -0.06 -3.53 0.00 -0.40 -0.30 107.32 99.54 2xfj s GLY 69 Ca 0.34 0.14 0.03 0.00 0.00 0.00 0.00 44.72 45.23 2xfj s GLY 69 CO 0.12 4.77 -0.14 0.54 0.00 0.00 0.00 173.10 178.39 2xfj s LYS 70 N -2.08 2.60 0.10 2.90 1.02 -1.25 -0.50 119.74 122.52 2xfj s LYS 70 Ca 0.27 -0.69 -0.36 0.00 0.02 0.00 0.00 55.97 55.22 2xfj s LYS 70 Cb 0.00 -2.41 -0.17 0.00 -0.52 0.00 0.00 37.83 34.73 2xfj s LYS 70 CO -0.01 0.59 1.14 0.45 -0.92 0.00 0.00 175.35 176.59 2xfj n SER 71 N 2.42 0.83 0.00 2.83 2.88 -0.29 -1.47 113.62 120.81 2xfj n SER 71 Ca -0.17 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.51 2xfj n SER 71 Cb 0.52 -1.10 0.00 0.00 -0.75 0.00 0.00 64.21 62.88 2xfj n SER 71 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2xfj n GLY 72 N 2.02 0.74 0.00 0.46 0.00 -1.26 -4.84 105.19 102.32 2xfj n GLY 72 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2xfj n GLY 72 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2xfj n GLN 73 N -2.05 1.69 0.00 1.61 6.02 -0.54 -4.94 117.38 119.15 2xfj n GLN 73 Ca 0.00 -1.12 0.00 0.00 -0.01 0.00 0.00 57.00 55.87 2xfj n GLN 73 Cb 0.02 -0.94 0.00 0.00 1.02 0.00 0.00 30.24 30.34 2xfj n GLN 73 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2xfj n GLY 74 N -0.32 0.87 3.70 1.08 0.00 -1.25 -4.83 105.19 104.44 2xfj n GLY 74 Ca 0.00 -1.78 -0.35 0.00 0.00 0.00 0.00 46.02 43.89 2xfj n GLY 74 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2xfj s TYR 75 N -2.92 3.20 0.10 1.61 1.51 -1.26 -3.93 117.35 115.65 2xfj s TYR 75 Ca 0.00 0.22 0.04 0.00 -1.01 0.00 0.00 57.07 56.32 2xfj s TYR 75 Cb 0.00 -1.80 -0.04 0.00 -0.11 0.00 0.00 41.96 40.01 2xfj s TYR 75 CO 0.00 0.49 -0.11 1.52 -1.11 0.00 0.00 175.55 176.35 2xfj s TYR 76 N -0.89 1.09 0.10 2.71 -0.85 0.59 -1.03 117.35 119.07 2xfj s TYR 76 Ca 0.13 -0.63 0.10 0.00 -0.52 0.00 0.00 57.07 56.16 2xfj s TYR 76 Cb -0.11 -0.59 -0.04 0.00 0.38 0.00 0.00 41.96 41.59 2xfj s TYR 76 CO 0.02 0.01 -0.27 0.54 -1.52 0.00 0.00 175.55 174.34 2xfj s VAL 77 N -2.32 2.20 0.14 -3.49 0.11 0.13 -1.74 120.40 115.43 2xfj s VAL 77 Ca 0.05 -1.65 -0.30 0.00 -2.93 0.00 0.00 61.98 57.15 2xfj s VAL 77 Cb -0.04 -1.93 -0.06 0.00 -1.53 0.00 0.00 36.38 32.82 2xfj s VAL 77 CO 0.00 0.16 0.96 -0.70 -3.33 0.00 0.00 175.10 172.20 2xfj s GLU 78 N -1.82 4.72 0.14 1.54 2.12 -1.26 -0.54 118.70 123.60 2xfj s GLU 78 Ca 0.13 1.47 0.01 0.00 0.36 0.00 0.00 54.97 56.95 2xfj s GLU 78 Cb -0.10 -3.36 -0.04 0.00 0.26 0.00 0.00 34.13 30.89 2xfj s GLU 78 CO 0.05 0.26 -0.02 -1.64 -0.54 0.00 0.00 175.26 173.37 2xfj s MET 79 N -0.21 0.98 0.07 4.30 -1.94 0.08 -4.05 119.30 118.52 2xfj s MET 79 Ca 0.46 -1.45 0.10 0.00 -1.71 0.00 0.00 55.69 53.09 2xfj s MET 79 Cb -0.24 -0.17 -0.03 0.00 2.01 0.00 0.00 34.83 36.40 2xfj s MET 79 CO 0.30 -0.11 -0.26 0.95 -0.01 0.00 0.00 175.02 175.89 2xfj s THR 80 N -3.70 2.14 -0.00 2.05 -4.23 -0.17 -1.01 115.64 110.71 2xfj s THR 80 Ca 0.19 -1.48 0.04 0.00 -1.18 0.00 0.00 61.69 59.27 2xfj s THR 80 Cb 0.06 -1.85 -0.01 0.00 1.34 0.00 0.00 72.50 72.04 2xfj s THR 80 CO 0.00 0.28 -0.12 -0.69 -0.54 0.00 0.00 174.62 173.55 2xfj s VAL 81 N -0.87 0.96 0.00 2.29 1.01 -0.04 -1.65 120.40 122.09 2xfj s VAL 81 Ca 0.12 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.53 2xfj s VAL 81 Cb -0.10 -0.81 0.00 0.00 0.00 0.00 0.00 36.38 35.47 2xfj s VAL 81 CO 0.03 0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.97 2xfj n GLY 82 N 2.67 -0.47 2.75 4.51 0.00 -0.21 -0.67 105.19 113.77 2xfj n GLY 82 Ca -0.14 -1.74 -0.23 0.00 0.00 0.00 0.00 46.02 43.91 2xfj n GLY 82 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2xfj s SER 83 N -2.48 1.55 0.78 1.61 0.15 -1.26 -3.10 113.70 110.95 2xfj s SER 83 Ca 0.00 -0.08 -0.12 0.00 0.70 0.00 0.00 55.95 56.45 2xfj s SER 83 Cb 0.00 -0.38 0.06 0.00 -1.71 0.00 0.00 66.02 63.99 2xfj s SER 83 CO 0.00 -0.21 1.13 -2.16 1.20 0.00 0.00 173.24 173.19 2xfj s PRO 84 N 2.01 2.05 0.09 5.44 0.04 -1.26 -1.80 135.00 141.57 2xfj s PRO 84 Ca 0.05 1.40 -0.31 0.00 0.04 0.00 0.00 61.00 62.18 2xfj s PRO 84 Cb -0.12 -1.86 -0.07 0.00 0.04 0.00 0.00 34.50 32.48 2xfj s PRO 84 CO -0.05 -1.83 1.40 -2.14 0.04 0.00 0.00 177.00 174.42 2xfj s PRO 85 N -4.52 4.31 -0.26 0.56 0.02 -1.18 -4.89 135.00 129.03 2xfj s PRO 85 Ca 0.66 2.06 -0.12 0.00 0.02 0.00 0.00 61.00 63.63 2xfj s PRO 85 Cb -0.21 -3.32 -0.05 0.00 0.02 0.00 0.00 34.50 30.94 2xfj s PRO 85 CO 0.52 -0.47 0.22 -0.65 -0.33 0.00 0.00 177.00 176.28 2xfj s GLN 86 N 1.40 4.00 -0.01 5.54 -0.21 0.15 -4.90 119.66 125.64 2xfj s GLN 86 Ca 0.65 -0.23 -0.28 0.00 0.02 0.00 0.00 55.36 55.51 2xfj s GLN 86 Cb -0.36 -3.62 -0.03 0.00 1.00 0.00 0.00 33.01 29.99 2xfj s GLN 86 CO 0.30 -0.13 0.90 0.99 -2.12 0.00 0.00 175.29 175.23 2xfj s THR 87 N 1.61 4.88 0.02 -0.19 2.01 -1.26 -0.86 115.64 121.84 2xfj s THR 87 Ca 0.09 1.90 -0.01 0.00 0.31 0.00 0.00 61.69 63.98 2xfj s THR 87 Cb -0.15 -4.24 -0.02 0.00 0.01 0.00 0.00 72.50 68.10 2xfj s THR 87 CO 0.09 0.20 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.45 2xfj s LEU 88 N 0.83 2.16 -0.15 4.42 1.43 -0.18 -4.97 118.68 122.22 2xfj s LEU 88 Ca 0.48 -0.42 -0.16 0.00 -1.03 0.00 0.00 54.13 53.00 2xfj s LEU 88 Cb -0.20 0.13 -0.04 0.00 0.03 0.00 0.00 46.19 46.11 2xfj s LEU 88 CO 0.26 -0.27 0.40 0.20 0.23 0.00 0.00 176.35 177.17 2xfj s ASN 89 N -1.28 6.54 -0.13 2.29 0.02 -1.26 -0.74 114.94 120.38 2xfj s ASN 89 Ca -0.14 0.64 0.01 0.00 -1.02 0.00 0.00 52.86 52.35 2xfj s ASN 89 Cb -0.09 -2.24 0.02 0.00 0.02 0.00 0.00 41.25 38.96 2xfj s ASN 89 CO -0.01 0.01 -0.13 -0.63 0.02 0.00 0.00 177.10 176.36 2xfj s ILE 90 N 0.75 1.44 0.19 0.60 -1.09 0.30 -0.52 121.20 122.86 2xfj s ILE 90 Ca 0.21 -0.57 -0.30 0.00 -2.23 0.00 0.00 60.65 57.76 2xfj s ILE 90 Cb -0.14 -1.35 -0.09 0.00 -1.58 0.00 0.00 42.46 39.30 2xfj s ILE 90 CO 0.08 0.43 1.39 -0.22 -1.23 0.00 0.00 174.94 175.39 2xfj s LEU 91 N 1.35 4.39 -0.34 2.97 0.20 0.37 -0.69 118.68 126.93 2xfj s LEU 91 Ca 0.01 2.48 -0.18 0.00 0.69 0.00 0.00 54.13 57.12 2xfj s LEU 91 Cb -0.13 -3.61 -0.00 0.00 -0.43 0.00 0.00 46.19 42.02 2xfj s LEU 91 CO -0.07 -0.64 0.53 0.68 -0.29 0.00 0.00 176.35 176.56 2xfj s VAL 92 N 0.44 5.00 -0.33 1.68 -7.23 -0.20 -0.12 120.40 119.64 2xfj s VAL 92 Ca 0.61 0.41 0.02 0.00 -1.81 0.00 0.00 61.98 61.21 2xfj s VAL 92 Cb -0.39 -3.97 0.10 0.00 0.56 0.00 0.00 36.38 32.68 2xfj s VAL 92 CO 0.37 -0.21 0.07 -0.62 -0.31 0.00 0.00 175.10 174.39 2xfj s ASP 93 N 1.75 4.49 0.00 4.85 2.15 -0.47 -4.21 116.67 125.24 2xfj s ASP 93 Ca 0.20 -1.96 0.26 0.00 0.43 0.00 0.00 52.55 51.48 2xfj s ASP 93 Cb -0.15 -1.35 1.47 0.00 -0.30 0.00 0.00 42.92 42.59 2xfj s ASP 93 CO 0.13 -0.39 1.91 0.35 -0.17 0.00 0.00 175.17 177.01 2xfj n THR 94 N 4.47 0.08 0.11 1.71 -2.24 -1.26 -0.61 114.28 116.54 2xfj n THR 94 Ca 0.02 0.02 0.11 0.00 -2.27 0.00 0.00 64.05 61.93 2xfj n THR 94 Cb 0.42 -0.60 0.27 0.00 -2.10 0.00 0.00 70.33 68.33 2xfj n THR 94 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2xfj n GLY 95 N 0.77 1.87 3.54 3.38 0.00 -1.26 -4.23 105.19 109.25 2xfj n GLY 95 Ca 0.17 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 45.35 2xfj n GLY 95 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2xfj s SER 96 N -1.19 0.55 -0.01 1.61 1.04 -1.23 -5.01 113.70 109.47 2xfj s SER 96 Ca 0.42 -1.31 0.01 0.00 0.48 0.00 0.00 55.95 55.54 2xfj s SER 96 Cb 0.23 0.65 0.01 0.00 0.10 0.00 0.00 66.02 67.01 2xfj s SER 96 CO 0.30 -1.28 0.71 -1.20 0.98 0.00 0.00 173.24 172.75 2xfj n SER 97 N -1.11 0.65 -4.71 7.02 7.64 -1.26 -0.86 113.62 120.99 2xfj n SER 97 Ca -0.01 -1.46 -0.35 0.00 1.01 0.00 0.00 58.87 58.06 2xfj n SER 97 Cb 0.62 -0.04 -0.09 0.00 -1.01 0.00 0.00 64.21 63.69 2xfj n SER 97 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 2xfj s ASN 98 N -0.50 5.69 -0.28 6.43 -0.87 -1.26 -4.52 114.94 119.64 2xfj s ASN 98 Ca 0.01 0.20 -0.15 0.00 -1.57 0.00 0.00 52.86 51.35 2xfj s ASN 98 Cb 0.01 -1.83 -0.03 0.00 -0.02 0.00 0.00 41.25 39.37 2xfj s ASN 98 CO 0.00 0.30 0.37 0.12 -2.57 0.00 0.00 177.10 175.32 2xfj s PHE 99 N -0.38 3.24 -0.03 2.20 5.99 -1.26 -1.67 117.98 126.07 2xfj s PHE 99 Ca 0.09 0.36 -0.06 0.00 0.00 0.00 0.00 56.93 57.33 2xfj s PHE 99 Cb -0.12 -2.58 0.01 0.00 0.00 0.00 0.00 43.02 40.32 2xfj s PHE 99 CO 0.02 -0.25 0.13 0.00 -0.00 0.00 0.00 175.22 175.12 2xfj s ALA 100 N 2.07 -0.32 0.02 11.12 0.00 -0.41 -1.17 121.76 133.07 2xfj s ALA 100 Ca 0.15 0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.26 2xfj s ALA 100 Cb -0.16 -0.07 -0.01 0.00 0.00 0.00 0.00 23.12 22.88 2xfj s ALA 100 CO 0.10 -0.13 -0.08 0.14 0.00 0.00 0.00 175.76 175.79 2xfj s VAL 101 N -0.62 0.60 0.15 0.00 -7.23 -0.46 -0.16 120.40 112.68 2xfj s VAL 101 Ca -0.07 -0.61 -0.34 0.00 -1.81 0.00 0.00 61.98 59.15 2xfj s VAL 101 Cb -0.04 -0.56 -0.15 0.00 0.56 0.00 0.00 36.38 36.19 2xfj s VAL 101 CO 0.01 -0.03 1.42 0.61 -0.31 0.00 0.00 175.10 176.80 2xfj n GLY 102 N 2.35 0.73 0.33 2.32 0.00 0.55 -0.45 105.19 111.03 2xfj n GLY 102 Ca -0.17 0.63 0.01 0.00 0.00 0.00 0.00 46.02 46.50 2xfj n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xfj n ALA 103 N 2.66 1.87 -3.19 4.61 0.00 -0.37 -0.68 120.51 125.40 2xfj n ALA 103 Ca 0.16 -1.15 -0.13 0.00 0.00 0.00 0.00 53.44 52.32 2xfj n ALA 103 Cb 0.25 -0.38 -0.06 0.00 0.00 0.00 0.00 19.45 19.26 2xfj n ALA 103 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2xfj s ALA 104 N -0.46 -1.03 0.36 0.00 0.00 -1.22 -4.78 121.76 114.63 2xfj s ALA 104 Ca 0.05 0.36 -0.27 0.00 0.00 0.00 0.00 51.96 52.10 2xfj s ALA 104 Cb 0.04 0.32 -0.12 0.00 0.00 0.00 0.00 23.12 23.36 2xfj s ALA 104 CO 0.00 -0.44 1.11 -2.30 0.00 0.00 0.00 175.76 174.13 2xfj n PRO 105 N 0.57 1.63 -3.77 0.00 -0.02 -1.26 -4.93 135.00 127.21 2xfj n PRO 105 Ca -0.19 0.57 -0.13 0.00 -2.02 0.00 0.00 63.50 61.74 2xfj n PRO 105 Cb 0.59 -2.09 -0.09 0.00 -0.02 0.00 0.00 33.50 31.89 2xfj n PRO 105 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2xfj s HIS 106 N -1.15 -0.21 0.53 6.00 2.46 -1.26 -5.05 115.29 116.61 2xfj s HIS 106 Ca 0.59 0.41 0.24 0.00 0.47 0.00 0.00 55.06 56.77 2xfj s HIS 106 Cb -0.60 0.09 1.39 0.00 -0.13 0.00 0.00 32.58 33.33 2xfj s HIS 106 CO 0.60 -0.32 2.03 -1.35 -2.47 0.00 0.00 174.74 173.23 2xfj h PRO 107 N 4.42 0.00 -0.37 2.88 0.11 -2.02 -2.02 132.00 134.99 2xfj h PRO 107 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2xfj h PRO 107 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2xfj h PRO 107 CO 0.37 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.35 2xfj n PHE 108 N -4.36 0.48 -3.47 0.65 0.99 -1.26 -4.90 117.46 105.59 2xfj n PHE 108 Ca 0.07 -0.26 -0.38 0.00 -0.00 0.00 0.00 57.45 56.87 2xfj n PHE 108 Cb 0.48 -0.00 -0.09 0.00 -1.00 0.00 0.00 39.48 38.87 2xfj n PHE 108 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 2xfj s LEU 109 N -1.38 4.09 0.31 4.37 1.43 -0.76 -4.65 118.68 122.08 2xfj s LEU 109 Ca 0.36 0.29 0.15 0.00 -1.03 0.00 0.00 54.13 53.90 2xfj s LEU 109 Cb 0.21 -2.35 0.43 0.00 0.03 0.00 0.00 46.19 44.52 2xfj s LEU 109 CO 0.29 -0.08 1.62 0.45 0.23 0.00 0.00 176.35 178.86 2xfj h HIS 110 N 7.79 0.00 -2.76 0.29 3.86 -1.90 -3.43 115.15 119.00 2xfj h HIS 110 Ca -0.35 0.00 0.07 0.00 -1.16 0.00 0.00 60.37 58.93 2xfj h HIS 110 Cb 1.17 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 29.55 2xfj h HIS 110 CO 0.71 0.50 0.32 -0.98 0.86 0.00 0.00 177.93 179.34 2xfj s ARG 111 N -3.42 1.38 0.18 2.45 1.70 -1.26 -5.16 118.95 114.82 2xfj s ARG 111 Ca 0.00 -0.67 -0.19 0.00 -0.47 0.00 0.00 55.73 54.41 2xfj s ARG 111 Cb 0.11 0.53 0.04 0.00 -0.57 0.00 0.00 34.95 35.05 2xfj s ARG 111 CO 0.72 -0.62 0.53 1.52 -1.08 0.00 0.00 175.30 176.38 2xfj s TYR 112 N -3.62 -0.21 -0.08 5.89 -0.85 -1.26 -4.90 117.35 112.32 2xfj s TYR 112 Ca 0.07 -0.11 -0.30 0.00 -0.52 0.00 0.00 57.07 56.22 2xfj s TYR 112 Cb -0.03 0.43 -0.03 0.00 0.38 0.00 0.00 41.96 42.71 2xfj s TYR 112 CO -0.02 -0.90 1.28 -0.47 -1.52 0.00 0.00 175.55 173.92 2xfj s TYR 113 N -3.84 2.96 -0.60 -3.49 5.04 0.14 -4.95 117.35 112.61 2xfj s TYR 113 Ca 0.07 1.02 -0.11 0.00 -2.44 0.00 0.00 57.07 55.61 2xfj s TYR 113 Cb -0.01 -3.52 0.15 0.00 0.35 0.00 0.00 41.96 38.94 2xfj s TYR 113 CO -0.05 -1.78 0.50 -0.65 -1.34 0.00 0.00 175.55 172.23 2xfj s GLN 114 N 2.74 2.88 0.39 4.97 -0.21 -1.26 -4.46 119.66 124.71 2xfj s GLN 114 Ca 0.58 -2.05 0.07 0.00 0.02 0.00 0.00 55.36 53.98 2xfj s GLN 114 Cb -0.25 -4.10 0.79 0.00 1.00 0.00 0.00 33.01 30.45 2xfj s GLN 114 CO 0.21 -1.24 1.99 0.00 -2.12 0.00 0.00 175.29 174.13 2xfj h ARG 115 N 8.16 0.48 0.00 2.91 3.08 -1.94 -2.25 114.38 124.82 2xfj h ARG 115 Ca -0.12 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.86 2xfj h ARG 115 Cb 1.05 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 31.01 2xfj h ARG 115 CO 0.85 0.40 -0.07 -0.56 -1.07 0.00 0.00 179.97 179.52 2xfj h GLN 116 N 0.48 0.00 -0.01 0.04 -0.00 -2.01 -1.81 115.11 111.81 2xfj h GLN 116 Ca 0.12 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.77 2xfj h GLN 116 Cb 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.58 2xfj h GLN 116 CO -0.01 0.07 -0.19 1.28 -0.00 0.00 0.00 178.83 179.98 2xfj n LEU 117 N -3.47 0.70 -4.46 0.06 4.77 -0.85 -4.83 117.00 108.92 2xfj n LEU 117 Ca -0.02 -0.09 -0.38 0.00 -0.03 0.00 0.00 56.01 55.49 2xfj n LEU 117 Cb 0.21 -0.17 -0.12 0.00 -2.33 0.00 0.00 43.42 41.01 2xfj n LEU 117 CO 0.28 0.13 -0.21 -0.55 -1.33 0.00 0.00 177.39 175.71 2xfj s SER 118 N -2.54 5.57 0.31 -1.43 0.15 -0.68 -4.24 113.70 110.84 2xfj s SER 118 Ca 0.25 -0.40 0.26 0.00 0.70 0.00 0.00 55.95 56.76 2xfj s SER 118 Cb 0.19 -2.01 0.89 0.00 -1.71 0.00 0.00 66.02 63.38 2xfj s SER 118 CO 0.51 -0.15 1.76 0.77 1.20 0.00 0.00 173.24 177.33 2xfj h SER 119 N 8.34 0.00 0.04 5.45 4.64 -1.64 -3.05 113.55 127.34 2xfj h SER 119 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 2xfj h SER 119 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 2xfj h SER 119 CO 0.60 0.00 -0.41 0.35 -0.87 0.00 0.00 176.83 176.50 2xfj n THR 120 N -2.49 0.00 -1.90 2.95 -2.24 -1.26 -4.95 114.28 104.39 2xfj n THR 120 Ca 0.03 -0.23 -0.41 0.00 -2.27 0.00 0.00 64.05 61.17 2xfj n THR 120 Cb 0.36 1.06 -0.02 0.00 -2.10 0.00 0.00 70.33 69.63 2xfj n THR 120 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2xfj s TYR 121 N -2.47 2.88 -0.11 4.78 5.04 -1.15 -4.56 117.35 121.75 2xfj s TYR 121 Ca 0.20 0.94 0.00 0.00 -2.44 0.00 0.00 57.07 55.77 2xfj s TYR 121 Cb 0.18 -3.94 0.02 0.00 0.35 0.00 0.00 41.96 38.58 2xfj s TYR 121 CO 0.55 -3.06 -0.09 0.50 -1.34 0.00 0.00 175.55 172.11 2xfj s ARG 122 N -0.59 1.69 0.07 4.97 3.00 -0.00 -4.99 118.95 123.10 2xfj s ARG 122 Ca 0.60 -0.33 -0.30 0.00 -1.00 0.00 0.00 55.73 54.70 2xfj s ARG 122 Cb -0.45 -1.66 -0.05 0.00 0.00 0.00 0.00 34.95 32.79 2xfj s ARG 122 CO 0.47 -0.23 1.02 0.34 0.00 0.00 0.00 175.30 176.90 2xfj s ASP 123 N 1.55 7.36 0.00 -2.12 2.15 -1.26 -0.24 116.67 124.11 2xfj s ASP 123 Ca 0.03 1.82 0.26 0.00 0.43 0.00 0.00 52.55 55.09 2xfj s ASP 123 Cb -0.13 -2.58 0.67 0.00 -0.30 0.00 0.00 42.92 40.58 2xfj s ASP 123 CO -0.07 -0.21 1.52 0.18 -0.17 0.00 0.00 175.17 176.41 2xfj n LEU 124 N 3.27 1.71 -3.66 -1.34 4.77 -0.50 -4.93 117.00 116.32 2xfj n LEU 124 Ca 0.05 -0.56 -0.21 0.00 -0.03 0.00 0.00 56.01 55.26 2xfj n LEU 124 Cb 0.49 -0.04 0.05 0.00 -2.33 0.00 0.00 43.42 41.59 2xfj n LEU 124 CO 0.52 0.30 -0.00 0.54 -1.33 0.00 0.00 177.39 177.42 2xfj n ARG 125 N 0.13 -5.43 -3.66 3.23 1.74 -1.26 -4.97 116.66 106.44 2xfj n ARG 125 Ca 0.15 0.67 -0.08 0.00 -0.77 0.00 0.00 57.85 57.82 2xfj n ARG 125 Cb 0.41 -5.37 -0.08 0.00 -1.02 0.00 0.00 32.46 26.40 2xfj n ARG 125 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 2xfj s LYS 126 N -5.92 0.57 0.55 5.56 2.47 -1.26 -5.06 119.74 116.65 2xfj s LYS 126 Ca 0.08 1.06 -0.06 0.00 -1.56 0.00 0.00 55.97 55.50 2xfj s LYS 126 Cb -0.04 0.10 -0.01 0.00 -1.46 0.00 0.00 37.83 36.42 2xfj s LYS 126 CO 0.79 -0.16 0.86 0.20 0.16 0.00 0.00 175.35 177.20 2xfj s GLY 127 N 1.61 1.57 -0.04 5.54 0.00 -1.26 -0.29 107.32 114.45 2xfj s GLY 127 Ca -0.10 -0.63 -0.10 0.00 0.00 0.00 0.00 44.72 43.89 2xfj s GLY 127 CO -0.17 -0.39 0.24 0.54 0.00 0.00 0.00 173.10 173.31 2xfj s VAL 128 N -2.89 0.04 -0.08 1.40 0.11 -0.05 -4.81 120.40 114.13 2xfj s VAL 128 Ca 0.51 -0.37 0.03 0.00 -2.93 0.00 0.00 61.98 59.23 2xfj s VAL 128 Cb -0.10 -0.46 0.01 0.00 -1.53 0.00 0.00 36.38 34.29 2xfj s VAL 128 CO 0.45 -0.20 -0.16 -0.47 -3.33 0.00 0.00 175.10 171.39 2xfj s TYR 129 N -0.80 1.81 -0.15 1.54 5.04 -1.26 -1.29 117.35 122.24 2xfj s TYR 129 Ca -0.09 -0.71 -0.00 0.00 -2.44 0.00 0.00 57.07 53.83 2xfj s TYR 129 Cb -0.05 -1.28 0.04 0.00 0.35 0.00 0.00 41.96 41.02 2xfj s TYR 129 CO 0.02 -0.33 -0.06 0.08 -1.34 0.00 0.00 175.55 173.91 2xfj s VAL 130 N 0.59 1.13 -0.15 3.14 1.01 -0.44 -4.90 120.40 120.78 2xfj s VAL 130 Ca -0.15 -0.55 -0.07 0.00 0.00 0.00 0.00 61.98 61.21 2xfj s VAL 130 Cb -0.16 -1.24 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 2xfj s VAL 130 CO 0.05 0.21 0.09 -2.16 0.00 0.00 0.00 175.10 173.29 2xfj s PRO 131 N 1.64 3.70 0.45 2.72 0.04 -1.26 -1.63 135.00 140.65 2xfj s PRO 131 Ca 0.02 -0.26 0.04 0.00 0.04 0.00 0.00 61.00 60.84 2xfj s PRO 131 Cb -0.14 -3.18 0.04 0.00 0.04 0.00 0.00 34.50 31.25 2xfj s PRO 131 CO -0.08 0.50 0.31 0.66 0.04 0.00 0.00 177.00 178.43 2xfj n TYR 132 N 2.83 -0.59 -0.11 0.56 4.01 -0.16 -5.01 117.16 118.69 2xfj n TYR 132 Ca -0.18 -1.92 -0.09 0.00 -0.16 0.00 0.00 57.90 55.55 2xfj n TYR 132 Cb 0.53 -0.36 -0.01 0.00 -0.31 0.00 0.00 39.34 39.19 2xfj n TYR 132 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 2xfj h THR 133 N 0.69 1.14 -3.66 -0.72 2.02 -2.00 -3.38 112.91 106.99 2xfj h THR 133 Ca -0.29 -0.35 -0.68 0.00 0.77 0.00 0.00 66.41 65.86 2xfj h THR 133 Cb 1.04 0.73 -0.31 0.00 -1.74 0.00 0.00 68.15 67.87 2xfj h THR 133 CO 0.46 0.14 -0.69 -1.58 0.37 0.00 0.00 175.52 174.22 2xfj s GLN 134 N -5.89 2.66 0.00 6.66 0.74 -1.26 -5.05 119.66 117.52 2xfj s GLN 134 Ca -0.13 -1.11 0.00 0.00 0.05 0.00 0.00 55.36 54.16 2xfj s GLN 134 Cb 0.10 -3.20 0.00 0.00 1.10 0.00 0.00 33.01 31.01 2xfj s GLN 134 CO 0.73 -0.54 0.00 0.41 -0.55 0.00 0.00 175.29 175.34 2xfj n GLY 135 N 4.70 -0.14 3.42 2.59 0.00 -1.23 -4.82 105.19 109.71 2xfj n GLY 135 Ca -0.14 -1.73 -0.13 0.00 0.00 0.00 0.00 46.02 44.02 2xfj n GLY 135 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2xfj s LYS 136 N -2.48 1.15 0.14 1.61 -2.85 -0.70 -0.98 119.74 115.63 2xfj s LYS 136 Ca 0.00 -0.31 -0.11 0.00 -1.00 0.00 0.00 55.97 54.55 2xfj s LYS 136 Cb 0.00 0.53 0.00 0.00 -2.06 0.00 0.00 37.83 36.30 2xfj s LYS 136 CO 0.00 -0.45 0.30 1.67 0.10 0.00 0.00 175.35 176.97 2xfj s TRP 137 N -2.95 0.17 0.05 1.78 1.48 -0.65 -0.86 118.94 117.96 2xfj s TRP 137 Ca -0.03 -0.54 0.03 0.00 -1.06 0.00 0.00 56.10 54.50 2xfj s TRP 137 Cb -0.00 0.04 -0.03 0.00 -1.16 0.00 0.00 33.47 32.32 2xfj s TRP 137 CO -0.06 -0.68 -0.10 -1.83 -4.06 0.00 0.00 176.95 170.22 2xfj s GLU 138 N -3.90 0.63 0.10 3.25 -1.05 -0.15 -1.32 118.70 116.27 2xfj s GLU 138 Ca 0.10 -0.84 -0.06 0.00 -0.15 0.00 0.00 54.97 54.02 2xfj s GLU 138 Cb 0.03 -0.47 0.02 0.00 -0.44 0.00 0.00 34.13 33.27 2xfj s GLU 138 CO -0.06 0.09 0.32 0.41 0.95 0.00 0.00 175.26 176.98 2xfj n GLY 139 N 1.36 1.36 3.49 -3.83 0.00 -0.41 -1.32 105.19 105.83 2xfj n GLY 139 Ca -0.22 -1.05 -0.34 0.00 0.00 0.00 0.00 46.02 44.41 2xfj n GLY 139 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2xfj s GLU 140 N -2.02 3.50 0.34 1.61 2.56 -0.70 -0.87 118.70 123.13 2xfj s GLU 140 Ca 0.07 -0.55 -0.25 0.00 0.00 0.00 0.00 54.97 54.23 2xfj s GLU 140 Cb -0.01 -2.82 -0.10 0.00 2.00 0.00 0.00 34.13 33.20 2xfj s GLU 140 CO 0.03 0.30 0.97 -0.51 -0.56 0.00 0.00 175.26 175.48 2xfj s LEU 141 N 0.19 4.27 0.00 2.70 1.43 0.60 -0.85 118.68 127.02 2xfj s LEU 141 Ca -0.03 1.86 -0.13 0.00 -1.03 0.00 0.00 54.13 54.80 2xfj s LEU 141 Cb -0.14 -4.09 0.05 0.00 0.03 0.00 0.00 46.19 42.04 2xfj s LEU 141 CO 0.03 -0.17 0.68 0.61 0.23 0.00 0.00 176.35 177.74 2xfj n GLY 142 N 0.42 1.04 3.17 -3.19 0.00 -0.67 -1.40 105.19 104.56 2xfj n GLY 142 Ca 0.03 -1.16 -0.15 0.00 0.00 0.00 0.00 46.02 44.73 2xfj n GLY 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2xfj s THR 143 N -2.26 0.97 0.26 2.61 -4.23 0.67 -0.72 115.64 112.94 2xfj s THR 143 Ca 0.14 -1.53 -0.21 0.00 -1.18 0.00 0.00 61.69 58.91 2xfj s THR 143 Cb -0.03 -1.25 0.04 0.00 1.34 0.00 0.00 72.50 72.60 2xfj s THR 143 CO 0.07 -0.47 0.82 -0.62 -0.54 0.00 0.00 174.62 173.89 2xfj s ASP 144 N -2.23 -0.16 0.21 3.99 -1.08 -0.78 -0.82 116.67 115.80 2xfj s ASP 144 Ca 0.03 -0.68 -0.29 0.00 -0.52 0.00 0.00 52.55 51.09 2xfj s ASP 144 Cb -0.05 0.68 -0.09 0.00 -1.46 0.00 0.00 42.92 42.00 2xfj s ASP 144 CO 0.01 -1.28 0.89 -0.76 0.52 0.00 0.00 175.17 174.54 2xfj s LEU 145 N -3.00 4.63 -0.01 -1.34 1.43 -1.26 -1.13 118.68 118.00 2xfj s LEU 145 Ca 0.13 1.85 0.02 0.00 -1.03 0.00 0.00 54.13 55.11 2xfj s LEU 145 Cb -0.04 -3.51 -0.00 0.00 0.03 0.00 0.00 46.19 42.66 2xfj s LEU 145 CO 0.07 0.17 -0.07 -0.69 0.23 0.00 0.00 176.35 176.05 2xfj s VAL 146 N -1.14 0.59 0.20 -1.59 1.01 0.97 -1.05 120.40 119.40 2xfj s VAL 146 Ca 0.40 -0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.11 2xfj s VAL 146 Cb -0.25 -0.52 -0.05 0.00 0.00 0.00 0.00 36.38 35.56 2xfj s VAL 146 CO 0.30 0.18 -0.02 -0.44 0.00 0.00 0.00 175.10 175.12 2xfj s SER 147 N -0.00 1.68 -0.34 3.32 0.01 -0.66 -1.78 113.70 115.93 2xfj s SER 147 Ca 0.00 -1.17 0.01 0.00 1.31 0.00 0.00 55.95 56.10 2xfj s SER 147 Cb -0.05 0.03 0.11 0.00 0.21 0.00 0.00 66.02 66.32 2xfj s SER 147 CO -0.00 -0.49 0.11 -0.63 0.41 0.00 0.00 173.24 172.63 2xfj s ILE 148 N -3.46 1.27 0.30 1.44 1.01 -1.26 -1.00 121.20 119.50 2xfj s ILE 148 Ca 0.25 -1.78 0.05 0.00 0.00 0.00 0.00 60.65 59.18 2xfj s ILE 148 Cb 0.05 -1.94 0.30 0.00 0.01 0.00 0.00 42.46 40.88 2xfj s ILE 148 CO 0.06 -0.69 1.79 -0.65 0.00 0.00 0.00 174.94 175.45 2xfj h PRO 149 N 7.79 0.78 -0.88 2.79 0.11 -1.89 -1.13 132.00 139.56 2xfj h PRO 149 Ca -0.10 -0.05 -0.60 0.00 0.11 0.00 0.00 66.00 65.37 2xfj h PRO 149 Cb 1.00 -0.17 -0.33 0.00 0.11 0.00 0.00 31.00 31.61 2xfj h PRO 149 CO 0.49 0.51 0.24 0.72 -0.21 0.00 0.00 178.00 179.75 2xfj n HIS 150 N -4.73 2.93 -2.93 0.65 8.25 -1.26 -4.95 115.22 113.18 2xfj n HIS 150 Ca 0.22 -2.62 0.00 0.00 -0.26 0.00 0.00 57.72 55.06 2xfj n HIS 150 Cb 0.53 -1.00 0.00 0.00 1.12 0.00 0.00 29.99 30.64 2xfj n HIS 150 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2xfj n GLY 151 N -0.87 5.90 3.70 -1.41 0.00 -0.43 -4.27 105.19 107.80 2xfj n GLY 151 Ca 0.55 -1.57 -0.43 0.00 0.00 0.00 0.00 46.02 44.56 2xfj n GLY 151 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2xfj n PRO 152 N 0.00 2.18 -2.31 1.61 -0.02 -1.26 -4.85 135.00 130.35 2xfj n PRO 152 Ca 0.00 0.77 -0.43 0.00 -2.02 0.00 0.00 63.50 61.82 2xfj n PRO 152 Cb 0.00 -2.38 0.00 0.00 -0.02 0.00 0.00 33.50 31.10 2xfj n PRO 152 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2xfj n GLN 153 N 0.88 3.32 -4.25 -0.52 1.13 -1.26 -4.53 117.38 112.15 2xfj n GLN 153 Ca 0.06 -3.30 -0.14 0.00 -1.94 0.00 0.00 57.00 51.68 2xfj n GLN 153 Cb 0.35 -3.12 -0.10 0.00 0.11 0.00 0.00 30.24 27.49 2xfj n GLN 153 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 2xfj s VAL 154 N 1.84 0.62 -0.06 5.09 -7.23 -1.26 -5.13 120.40 114.27 2xfj s VAL 154 Ca 0.44 -1.98 0.01 0.00 -1.81 0.00 0.00 61.98 58.64 2xfj s VAL 154 Cb 0.08 -2.22 0.02 0.00 0.56 0.00 0.00 36.38 34.82 2xfj s VAL 154 CO -0.01 -0.38 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.44 2xfj s THR 155 N -3.70 0.81 0.07 5.32 2.01 -1.26 -4.41 115.64 114.48 2xfj s THR 155 Ca 0.27 -0.25 0.07 0.00 0.31 0.00 0.00 61.69 62.08 2xfj s THR 155 Cb 0.06 -0.80 -0.03 0.00 0.01 0.00 0.00 72.50 71.75 2xfj s THR 155 CO 0.06 0.29 -0.18 0.68 -0.69 0.00 0.00 174.62 174.78 2xfj s VAL 156 N 1.02 1.45 -0.18 3.82 -7.23 -0.73 -4.94 120.40 113.60 2xfj s VAL 156 Ca -0.09 -1.31 -0.17 0.00 -1.81 0.00 0.00 61.98 58.59 2xfj s VAL 156 Cb -0.14 -1.32 -0.04 0.00 0.56 0.00 0.00 36.38 35.44 2xfj s VAL 156 CO -0.00 -0.03 0.46 -0.60 -0.31 0.00 0.00 175.10 174.62 2xfj s ARG 157 N -1.57 4.23 0.07 4.82 3.52 -1.26 -0.02 118.95 128.74 2xfj s ARG 157 Ca 0.04 0.34 0.01 0.00 -0.13 0.00 0.00 55.73 55.99 2xfj s ARG 157 Cb -0.09 -3.51 -0.04 0.00 -1.56 0.00 0.00 34.95 29.75 2xfj s ARG 157 CO 0.03 -0.01 -0.06 0.00 -0.81 0.00 0.00 175.30 174.45 2xfj s ALA 158 N 1.20 0.77 0.27 6.12 0.00 -0.28 -4.94 121.76 124.89 2xfj s ALA 158 Ca 0.23 -1.19 -0.30 0.00 0.00 0.00 0.00 51.96 50.70 2xfj s ALA 158 Cb -0.15 0.17 -0.10 0.00 0.00 0.00 0.00 23.12 23.04 2xfj s ALA 158 CO 0.09 -0.23 1.34 -0.80 0.00 0.00 0.00 175.76 176.16 2xfj s ASN 159 N -2.71 6.79 -0.02 0.00 0.01 -1.26 -1.86 114.94 115.88 2xfj s ASN 159 Ca 0.06 2.58 0.00 0.00 -0.71 0.00 0.00 52.86 54.80 2xfj s ASN 159 Cb 0.03 -2.63 0.03 0.00 0.41 0.00 0.00 41.25 39.08 2xfj s ASN 159 CO -0.05 -0.57 0.01 -0.63 -1.51 0.00 0.00 177.10 174.35 2xfj s ILE 160 N -0.44 0.10 -0.23 0.60 1.01 0.10 -4.65 121.20 117.69 2xfj s ILE 160 Ca 0.54 0.11 -0.15 0.00 0.00 0.00 0.00 60.65 61.15 2xfj s ILE 160 Cb -0.39 -0.20 -0.04 0.00 0.01 0.00 0.00 42.46 41.84 2xfj s ILE 160 CO 0.45 0.12 0.37 0.00 0.00 0.00 0.00 174.94 175.89 2xfj s ALA 161 N 0.94 3.57 -0.51 9.38 0.00 -0.31 -1.67 121.76 133.16 2xfj s ALA 161 Ca -0.09 -0.66 -0.20 0.00 0.00 0.00 0.00 51.96 51.02 2xfj s ALA 161 Cb -0.12 -2.64 0.05 0.00 0.00 0.00 0.00 23.12 20.41 2xfj s ALA 161 CO -0.02 -0.43 0.65 0.00 0.00 0.00 0.00 175.76 175.97 2xfj s ALA 162 N 1.58 3.36 -0.13 0.00 0.00 -0.03 -1.35 121.76 125.19 2xfj s ALA 162 Ca 0.17 -1.67 -0.29 0.00 0.00 0.00 0.00 51.96 50.16 2xfj s ALA 162 Cb -0.15 -3.38 -0.02 0.00 0.00 0.00 0.00 23.12 19.56 2xfj s ALA 162 CO 0.08 -2.03 1.33 0.42 0.00 0.00 0.00 175.76 175.56 2xfj s ILE 163 N 2.76 4.13 -0.09 0.00 1.01 0.41 -1.71 121.20 127.70 2xfj s ILE 163 Ca 0.17 1.39 0.04 0.00 0.00 0.00 0.00 60.65 62.24 2xfj s ILE 163 Cb -0.18 -3.89 -0.05 0.00 0.01 0.00 0.00 42.46 38.34 2xfj s ILE 163 CO 0.13 -0.11 0.12 0.35 0.00 0.00 0.00 174.94 175.43 2xfj n THR 164 N 5.28 0.00 -3.88 2.92 -2.24 -0.43 -1.24 114.28 114.69 2xfj n THR 164 Ca 0.14 -0.25 -0.11 0.00 -2.27 0.00 0.00 64.05 61.56 2xfj n THR 164 Cb 0.45 0.70 -0.10 0.00 -2.10 0.00 0.00 70.33 69.27 2xfj n THR 164 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2xfj s GLU 165 N -1.82 0.43 0.10 -0.78 2.12 -0.99 -4.91 118.70 112.85 2xfj s GLU 165 Ca -0.00 -0.37 -0.23 0.00 0.36 0.00 0.00 54.97 54.73 2xfj s GLU 165 Cb 0.03 0.18 0.06 0.00 0.26 0.00 0.00 34.13 34.65 2xfj s GLU 165 CO 0.16 -0.10 0.57 -1.54 -0.54 0.00 0.00 175.26 173.81 2xfj s SER 166 N -1.24 -0.52 -0.14 -1.70 1.04 -1.26 -0.98 113.70 108.90 2xfj s SER 166 Ca -0.13 0.11 -0.04 0.00 0.48 0.00 0.00 55.95 56.37 2xfj s SER 166 Cb -0.07 0.55 0.05 0.00 0.10 0.00 0.00 66.02 66.65 2xfj s SER 166 CO 0.01 -0.85 0.07 -0.62 0.98 0.00 0.00 173.24 172.84 2xfj s ASP 167 N -2.34 2.14 -1.64 7.02 2.15 -0.04 -4.89 116.67 119.07 2xfj s ASP 167 Ca -0.02 -0.48 -0.03 0.00 0.43 0.00 0.00 52.55 52.45 2xfj s ASP 167 Cb -0.00 -0.28 0.00 0.00 -0.30 0.00 0.00 42.92 42.34 2xfj s ASP 167 CO -0.07 -0.32 0.38 0.29 -0.17 0.00 0.00 175.17 175.28 2xfj n LYS 168 N 5.25 -3.69 -0.05 4.34 5.02 -1.26 -1.72 118.16 126.05 2xfj n LYS 168 Ca -0.06 0.95 -0.05 0.00 -2.02 0.00 0.00 58.31 57.12 2xfj n LYS 168 Cb 0.49 -5.74 -0.02 0.00 -0.02 0.00 0.00 35.03 29.75 2xfj n LYS 168 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2xfj n PHE 169 N -4.32 0.00 -2.17 2.13 7.35 -1.26 -3.47 117.46 115.71 2xfj n PHE 169 Ca -0.16 0.00 -0.38 0.00 -0.76 0.00 0.00 57.45 56.14 2xfj n PHE 169 Cb 0.65 -0.30 -0.01 0.00 0.35 0.00 0.00 39.48 40.16 2xfj n PHE 169 CO 0.00 0.00 0.00 -0.06 -0.76 0.00 0.00 176.76 175.94 2xfj s PHE 170 N -2.23 2.89 -0.15 -5.13 2.99 -1.26 -4.99 117.98 110.09 2xfj s PHE 170 Ca -0.18 1.49 -0.01 0.00 0.00 0.00 0.00 56.93 58.24 2xfj s PHE 170 Cb 0.02 -3.50 -0.01 0.00 0.00 0.00 0.00 43.02 39.53 2xfj s PHE 170 CO 0.26 -1.71 -0.13 0.42 -0.00 0.00 0.00 175.22 174.06 2xfj s ILE 171 N -1.39 2.96 -0.12 0.64 1.01 -1.26 -5.01 121.20 118.03 2xfj s ILE 171 Ca 0.60 -0.68 -0.34 0.00 0.00 0.00 0.00 60.65 60.23 2xfj s ILE 171 Cb -0.33 -2.26 -0.11 0.00 0.01 0.00 0.00 42.46 39.77 2xfj s ILE 171 CO 0.41 0.51 1.92 1.67 0.00 0.00 0.00 174.94 179.46 2xfj n GLN 172 N 3.89 2.10 -1.87 2.79 7.27 -1.26 -2.70 117.38 127.59 2xfj n GLN 172 Ca -0.18 0.75 -0.07 0.00 0.07 0.00 0.00 57.00 57.57 2xfj n GLN 172 Cb 0.52 -2.67 -0.01 0.00 2.41 0.00 0.00 30.24 30.49 2xfj n GLN 172 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2xfj n GLY 173 N 4.63 0.31 0.13 1.69 0.00 -1.26 -4.96 105.19 105.74 2xfj n GLY 173 Ca 0.24 -0.65 0.11 0.00 0.00 0.00 0.00 46.02 45.73 2xfj n GLY 173 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2xfj h SER 174 N 0.00 0.00 0.00 1.61 4.64 -1.84 -3.48 113.55 114.47 2xfj h SER 174 Ca -0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.17 2xfj h SER 174 Cb 0.93 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.02 2xfj h SER 174 CO 0.19 0.01 0.00 0.59 -0.87 0.00 0.00 176.83 176.76 2xfj n ASN 175 N -2.74 -2.67 -4.59 4.97 3.02 -1.26 -4.56 115.26 107.43 2xfj n ASN 175 Ca 0.00 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.28 2xfj n ASN 175 Cb 0.55 -1.22 -0.09 0.00 -0.61 0.00 0.00 39.78 38.41 2xfj n ASN 175 CO 0.00 0.00 0.00 -1.66 -2.62 0.00 0.00 177.26 172.98 2xfj s TRP 176 N -2.13 2.69 0.00 3.10 1.48 -1.26 -4.62 118.94 118.20 2xfj s TRP 176 Ca 0.00 -0.19 0.00 0.00 -1.06 0.00 0.00 56.10 54.85 2xfj s TRP 176 Cb 0.00 -1.34 0.00 0.00 -1.16 0.00 0.00 33.47 30.97 2xfj s TRP 176 CO 0.00 0.49 0.58 0.39 -4.06 0.00 0.00 176.95 174.36 2xfj n GLU 177 N 0.17 0.38 -3.84 3.25 4.71 0.32 -4.89 120.64 120.73 2xfj n GLU 177 Ca -0.11 -0.73 -0.05 0.00 -0.01 0.00 0.00 57.16 56.25 2xfj n GLU 177 Cb 0.55 -0.90 0.02 0.00 -1.01 0.00 0.00 31.44 30.09 2xfj n GLU 177 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 2xfj s GLY 178 N -0.30 0.15 -0.01 0.62 0.00 -1.14 -0.33 107.32 106.32 2xfj s GLY 178 Ca 0.00 -0.42 0.01 0.00 0.00 0.00 0.00 44.72 44.30 2xfj s GLY 178 CO 0.00 1.20 -0.01 -1.50 0.00 0.00 0.00 173.10 172.79 2xfj s ILE 179 N -2.39 0.14 -0.40 0.90 2.07 0.78 -0.48 121.20 121.82 2xfj s ILE 179 Ca 0.18 -0.04 -0.03 0.00 -1.41 0.00 0.00 60.65 59.36 2xfj s ILE 179 Cb -0.03 -0.15 0.10 0.00 0.13 0.00 0.00 42.46 42.51 2xfj s ILE 179 CO 0.07 0.06 0.18 -0.22 -1.91 0.00 0.00 174.94 173.12 2xfj s LEU 180 N 0.18 5.11 -0.40 8.50 2.96 0.82 -1.29 118.68 134.56 2xfj s LEU 180 Ca -0.01 -1.93 -0.29 0.00 -0.22 0.00 0.00 54.13 51.67 2xfj s LEU 180 Cb -0.03 -1.82 0.02 0.00 0.50 0.00 0.00 46.19 44.85 2xfj s LEU 180 CO -0.01 -0.51 1.26 -0.83 -1.32 0.00 0.00 176.35 174.94 2xfj s GLY 181 N 1.77 1.27 0.00 7.98 0.00 -0.67 -1.36 107.32 116.31 2xfj s GLY 181 Ca 0.07 -0.21 0.25 0.00 0.00 0.00 0.00 44.72 44.83 2xfj s GLY 181 CO -0.04 2.56 1.39 1.04 0.00 0.00 0.00 173.10 178.05 2xfj n LEU 182 N 8.04 2.62 0.00 0.66 4.77 0.22 -4.28 117.00 129.02 2xfj n LEU 182 Ca 0.14 -0.89 -0.04 0.00 -0.03 0.00 0.00 56.01 55.20 2xfj n LEU 182 Cb 0.48 -0.01 0.02 0.00 -2.33 0.00 0.00 43.42 41.59 2xfj n LEU 182 CO 0.68 0.44 0.11 0.00 -1.33 0.00 0.00 177.39 177.29 2xfj n ALA 183 N 1.05 -0.16 -2.20 -1.18 0.00 -0.04 -4.93 120.51 113.05 2xfj n ALA 183 Ca 0.15 -0.23 -0.23 0.00 0.00 0.00 0.00 53.44 53.13 2xfj n ALA 183 Cb 0.54 -0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.01 2xfj n ALA 183 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2xfj s TYR 184 N -1.16 3.15 0.47 0.00 1.51 -0.45 -4.66 117.35 116.21 2xfj s TYR 184 Ca 0.09 0.27 0.15 0.00 -1.01 0.00 0.00 57.07 56.57 2xfj s TYR 184 Cb -0.00 -2.50 1.12 0.00 -0.11 0.00 0.00 41.96 40.48 2xfj s TYR 184 CO 0.07 -0.57 2.04 0.00 -1.11 0.00 0.00 175.55 175.98 2xfj h ALA 185 N 0.21 2.04 -0.73 3.71 0.00 -1.88 -2.64 119.26 119.96 2xfj h ALA 185 Ca -0.45 -0.01 0.21 0.00 0.00 0.00 0.00 54.91 54.66 2xfj h ALA 185 Cb 1.26 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 2xfj h ALA 185 CO 0.57 -0.11 0.59 0.93 0.00 0.00 0.00 179.25 181.22 2xfj h GLU 186 N 0.26 0.00 -0.39 0.00 3.07 -1.87 -0.60 114.58 115.05 2xfj h GLU 186 Ca 0.17 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.03 2xfj h GLU 186 Cb 0.36 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 2xfj h GLU 186 CO -0.03 0.00 0.00 0.44 -1.40 0.00 0.00 179.01 178.02 2xfj n ILE 187 N -4.08 0.91 -2.20 3.13 -5.35 -0.99 -4.72 119.36 106.06 2xfj n ILE 187 Ca 0.15 -0.96 -0.37 0.00 -0.27 0.00 0.00 62.75 61.30 2xfj n ILE 187 Cb 0.86 0.57 0.00 0.00 -1.74 0.00 0.00 39.64 39.33 2xfj n ILE 187 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2xfj s ALA 188 N -1.01 2.88 -0.00 -1.28 0.00 -0.23 -4.61 121.76 117.50 2xfj s ALA 188 Ca 0.27 0.96 0.01 0.00 0.00 0.00 0.00 51.96 53.20 2xfj s ALA 188 Cb 0.15 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.83 2xfj s ALA 188 CO 0.19 -0.78 0.04 1.03 0.00 0.00 0.00 175.76 176.24 2xfj s ARG 189 N -2.87 2.91 0.38 0.00 1.81 -1.26 -3.08 118.95 116.83 2xfj s ARG 189 Ca 0.67 -0.55 0.20 0.00 -1.72 0.00 0.00 55.73 54.33 2xfj s ARG 189 Cb -0.29 -2.76 0.57 0.00 -0.45 0.00 0.00 34.95 32.02 2xfj s ARG 189 CO 0.34 0.64 1.67 -1.35 -0.68 0.00 0.00 175.30 175.92 2xfj h PRO 190 N 4.26 0.00 0.00 3.54 0.11 -1.90 -3.47 132.00 134.53 2xfj h PRO 190 Ca -0.49 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 2xfj h PRO 190 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2xfj h PRO 190 CO 0.59 0.32 0.26 -0.40 -0.21 0.00 0.00 178.00 178.56 2xfj n ASP 191 N -3.33 -1.87 0.00 -2.05 3.85 -1.18 -5.04 116.55 106.93 2xfj n ASP 191 Ca 0.01 -2.27 0.09 0.00 -0.71 0.00 0.00 54.79 51.91 2xfj n ASP 191 Cb 0.55 3.11 0.52 0.00 -1.35 0.00 0.00 41.12 43.95 2xfj n ASP 191 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 2xfj n ASP 192 N -1.42 0.00 0.05 -1.12 5.68 -1.25 -1.99 116.55 116.50 2xfj n ASP 192 Ca -0.07 -0.46 0.13 0.00 -0.50 0.00 0.00 54.79 53.89 2xfj n ASP 192 Cb 0.49 -0.05 0.50 0.00 -1.14 0.00 0.00 41.12 40.93 2xfj n ASP 192 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2xfj n SER 193 N -1.05 0.39 -4.47 -1.12 3.41 -1.26 -4.53 113.62 104.98 2xfj n SER 193 Ca 0.13 0.54 -0.43 0.00 -0.26 0.00 0.00 58.87 58.85 2xfj n SER 193 Cb 0.08 -0.64 -0.03 0.00 -0.26 0.00 0.00 64.21 63.35 2xfj n SER 193 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2xfj s LEU 194 N -3.74 4.32 0.16 1.04 2.96 -0.84 -4.99 118.68 117.60 2xfj s LEU 194 Ca 0.12 -1.17 -0.31 0.00 -0.22 0.00 0.00 54.13 52.54 2xfj s LEU 194 Cb 0.15 -2.44 -0.11 0.00 0.50 0.00 0.00 46.19 44.29 2xfj s LEU 194 CO 0.54 -1.42 1.78 -0.70 -1.32 0.00 0.00 176.35 175.23 2xfj s GLU 195 N 4.04 4.13 0.69 1.98 2.12 -1.26 -4.88 118.70 125.52 2xfj s GLU 195 Ca 0.27 2.60 -0.11 0.00 0.36 0.00 0.00 54.97 58.09 2xfj s GLU 195 Cb -0.12 -3.35 0.00 0.00 0.26 0.00 0.00 34.13 30.92 2xfj s GLU 195 CO 0.05 -0.80 1.06 -2.14 -0.54 0.00 0.00 175.26 172.89 2xfj s PRO 196 N 2.01 3.00 0.19 4.30 0.02 -1.26 -4.54 135.00 138.72 2xfj s PRO 196 Ca 0.78 0.90 -0.14 0.00 0.02 0.00 0.00 61.00 62.57 2xfj s PRO 196 Cb -0.48 -2.00 0.18 0.00 0.02 0.00 0.00 34.50 32.22 2xfj s PRO 196 CO 0.34 -1.04 1.68 0.35 -0.33 0.00 0.00 177.00 178.00 2xfj h PHE 197 N -0.67 -0.06 -0.43 6.54 3.57 -1.82 -2.16 116.94 121.91 2xfj h PHE 197 Ca -0.44 0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.01 2xfj h PHE 197 Cb 1.21 0.10 -0.02 0.00 2.79 0.00 0.00 35.95 40.03 2xfj h PHE 197 CO 0.62 -0.13 -0.09 0.35 -2.23 0.00 0.00 178.31 176.83 2xfj h PHE 198 N 0.10 0.82 -0.58 0.41 3.57 -1.91 -0.06 116.94 119.29 2xfj h PHE 198 Ca 0.25 -0.14 0.02 0.00 3.53 0.00 0.00 57.97 61.62 2xfj h PHE 198 Cb 0.37 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 2xfj h PHE 198 CO -0.32 0.81 0.37 -0.44 -2.23 0.00 0.00 178.31 176.49 2xfj h ASP 199 N 0.69 0.62 -0.76 0.41 3.32 -1.81 -1.13 116.42 117.77 2xfj h ASP 199 Ca 0.12 -0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.11 2xfj h ASP 199 Cb 0.55 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 2xfj h ASP 199 CO 0.03 0.44 0.26 0.28 -1.72 0.00 0.00 179.24 178.54 2xfj h SER 200 N 0.74 1.08 -0.24 6.45 0.02 -0.76 -1.10 113.55 119.75 2xfj h SER 200 Ca 0.22 -0.20 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2xfj h SER 200 Cb -0.04 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.21 2xfj h SER 200 CO -0.07 0.99 0.15 0.25 -1.14 0.00 0.00 176.83 177.01 2xfj h LEU 201 N 1.12 0.28 -0.40 5.07 5.85 -0.63 -1.40 115.31 125.19 2xfj h LEU 201 Ca 0.25 -0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.86 2xfj h LEU 201 Cb 0.28 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 2xfj h LEU 201 CO -0.01 0.23 -0.02 0.58 -0.34 0.00 0.00 178.44 178.88 2xfj h VAL 202 N 0.30 1.26 -0.37 1.05 2.07 -1.06 -1.94 116.25 117.56 2xfj h VAL 202 Ca 0.09 -1.05 -0.07 0.00 0.82 0.00 0.00 66.70 66.49 2xfj h VAL 202 Cb -0.00 1.14 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 2xfj h VAL 202 CO -0.02 0.35 -0.07 0.11 0.02 0.00 0.00 177.57 177.97 2xfj h LYS 203 N 0.55 0.61 0.00 1.57 1.57 -1.07 -3.24 116.57 116.56 2xfj h LYS 203 Ca 0.11 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2xfj h LYS 203 Cb 0.51 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.75 2xfj h LYS 203 CO 0.02 0.68 -1.12 1.04 -0.57 0.00 0.00 179.45 179.50 2xfj n GLN 204 N -4.21 0.23 -4.57 3.15 6.02 -0.54 -4.96 117.38 112.49 2xfj n GLN 204 Ca 0.01 -0.03 -0.28 0.00 -0.01 0.00 0.00 57.00 56.69 2xfj n GLN 204 Cb 0.31 -1.54 -0.08 0.00 1.02 0.00 0.00 30.24 29.95 2xfj n GLN 204 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2xfj s THR 205 N -3.17 0.60 -0.73 5.09 -4.23 -0.74 -5.04 115.64 107.42 2xfj s THR 205 Ca 0.04 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.65 2xfj s THR 205 Cb 0.15 -2.23 0.53 0.00 1.34 0.00 0.00 72.50 72.29 2xfj s THR 205 CO 0.83 0.00 1.33 1.41 -0.54 0.00 0.00 174.62 177.65 2xfj n HIS 206 N -1.02 1.27 -2.21 3.99 8.25 -1.26 -4.77 115.22 119.47 2xfj n HIS 206 Ca -0.09 -0.46 -0.42 0.00 -0.26 0.00 0.00 57.72 56.49 2xfj n HIS 206 Cb 0.65 -0.32 -0.03 0.00 1.12 0.00 0.00 29.99 31.41 2xfj n HIS 206 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2xfj s VAL 207 N -2.04 3.59 0.70 1.59 1.01 -1.26 -4.96 120.40 119.03 2xfj s VAL 207 Ca 0.36 1.05 -0.16 0.00 0.00 0.00 0.00 61.98 63.22 2xfj s VAL 207 Cb 0.26 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.99 2xfj s VAL 207 CO 0.12 0.03 1.23 -2.84 0.00 0.00 0.00 175.10 173.64 2xfj s PRO 208 N 1.98 2.30 -1.40 2.72 0.02 -1.26 -4.70 135.00 134.66 2xfj s PRO 208 Ca 0.64 1.85 -0.11 0.00 0.02 0.00 0.00 61.00 63.40 2xfj s PRO 208 Cb -0.33 -1.84 0.08 0.00 0.02 0.00 0.00 34.50 32.43 2xfj s PRO 208 CO 0.28 -1.73 2.20 -1.71 -0.33 0.00 0.00 177.00 175.70 2xfj n ASN 209 N -2.43 5.36 -3.57 2.53 5.15 -1.26 -4.24 115.26 116.81 2xfj n ASN 209 Ca 0.14 -2.95 -0.15 0.00 -0.60 0.00 0.00 54.58 51.02 2xfj n ASN 209 Cb 0.50 -1.55 -0.06 0.00 -0.53 0.00 0.00 39.78 38.14 2xfj n ASN 209 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 2xfj s LEU 210 N 0.59 -0.63 0.08 1.20 0.20 -1.26 -1.62 118.68 117.23 2xfj s LEU 210 Ca 0.48 0.89 -0.08 0.00 0.69 0.00 0.00 54.13 56.11 2xfj s LEU 210 Cb 0.13 2.38 -0.01 0.00 -0.43 0.00 0.00 46.19 48.26 2xfj s LEU 210 CO -0.05 -0.44 0.16 0.72 -0.29 0.00 0.00 176.35 176.45 2xfj s PHE 211 N -0.64 0.20 0.05 5.38 -0.71 -1.00 -0.10 117.98 121.15 2xfj s PHE 211 Ca -0.06 -0.63 0.04 0.00 -1.04 0.00 0.00 56.93 55.24 2xfj s PHE 211 Cb -0.02 -0.10 -0.02 0.00 -1.21 0.00 0.00 43.02 41.66 2xfj s PHE 211 CO 0.05 -0.51 -0.11 -1.54 -1.34 0.00 0.00 175.22 171.78 2xfj s SER 212 N -2.80 1.23 -0.10 1.98 1.04 -0.37 -0.13 113.70 114.55 2xfj s SER 212 Ca 0.04 -0.52 0.02 0.00 0.48 0.00 0.00 55.95 55.97 2xfj s SER 212 Cb 0.05 -0.02 0.01 0.00 0.10 0.00 0.00 66.02 66.16 2xfj s SER 212 CO -0.10 -0.10 -0.15 -0.76 0.98 0.00 0.00 173.24 173.10 2xfj s LEU 213 N -1.46 1.74 -0.46 2.42 1.43 0.27 -1.10 118.68 121.51 2xfj s LEU 213 Ca -0.05 -0.42 0.01 0.00 -1.03 0.00 0.00 54.13 52.64 2xfj s LEU 213 Cb -0.09 -1.08 0.12 0.00 0.03 0.00 0.00 46.19 45.17 2xfj s LEU 213 CO 0.01 0.03 0.23 -1.58 0.23 0.00 0.00 176.35 175.26 2xfj s GLN 214 N 0.91 1.97 -0.15 1.70 0.74 0.26 -1.52 119.66 123.57 2xfj s GLN 214 Ca -0.08 -2.18 -0.16 0.00 0.05 0.00 0.00 55.36 52.98 2xfj s GLN 214 Cb -0.15 -3.45 -0.04 0.00 1.10 0.00 0.00 33.01 30.47 2xfj s GLN 214 CO -0.00 -1.07 0.41 -0.51 -0.55 0.00 0.00 175.29 173.57 2xfj s LEU 215 N 0.48 4.24 0.00 3.68 1.43 -1.26 -1.02 118.68 126.23 2xfj s LEU 215 Ca 0.13 0.65 0.00 0.00 -1.03 0.00 0.00 54.13 53.88 2xfj s LEU 215 Cb -0.22 -2.56 0.00 0.00 0.03 0.00 0.00 46.19 43.44 2xfj s LEU 215 CO -0.04 0.01 0.00 0.00 0.23 0.00 0.00 176.35 176.55 2xfj n ALA 229 N -3.00 0.22 -2.14 0.00 0.00 -1.26 -3.93 120.51 110.40 2xfj n ALA 229 Ca 0.00 0.01 -0.42 0.00 0.00 0.00 0.00 53.44 53.03 2xfj n ALA 229 Cb 0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 19.45 19.18 2xfj n ALA 229 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2xfj s SER 230 N -2.36 6.95 0.34 0.00 1.04 -1.26 -1.14 113.70 117.26 2xfj s SER 230 Ca -0.00 2.27 0.04 0.00 0.48 0.00 0.00 55.95 58.74 2xfj s SER 230 Cb 0.00 -2.60 -0.07 0.00 0.10 0.00 0.00 66.02 63.46 2xfj s SER 230 CO 0.01 -0.52 0.05 0.68 0.98 0.00 0.00 173.24 174.44 2xfj s VAL 231 N 0.54 1.34 0.13 5.02 -7.23 0.34 -4.90 120.40 115.64 2xfj s VAL 231 Ca 0.58 -2.00 -0.02 0.00 -1.81 0.00 0.00 61.98 58.73 2xfj s VAL 231 Cb -0.34 -2.82 0.01 0.00 0.56 0.00 0.00 36.38 33.78 2xfj s VAL 231 CO 0.34 -0.01 0.22 0.61 -0.31 0.00 0.00 175.10 175.95 2xfj n GLY 232 N -0.73 2.38 0.00 2.32 0.00 -1.25 -1.27 105.19 106.62 2xfj n GLY 232 Ca -0.03 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.65 2xfj n GLY 232 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2xfj n GLY 233 N -0.21 -0.83 2.94 -0.02 0.00 -0.91 -1.21 105.19 104.95 2xfj n GLY 233 Ca -0.01 -1.08 -0.15 0.00 0.00 0.00 0.00 46.02 44.78 2xfj n GLY 233 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2xfj s SER 234 N -4.00 0.52 -0.27 1.61 0.01 -0.18 -1.28 113.70 110.10 2xfj s SER 234 Ca 0.00 -0.08 -0.02 0.00 1.31 0.00 0.00 55.95 57.16 2xfj s SER 234 Cb 0.00 -0.06 0.03 0.00 0.21 0.00 0.00 66.02 66.20 2xfj s SER 234 CO 0.00 0.05 -0.03 -0.32 0.41 0.00 0.00 173.24 173.36 2xfj s MET 235 N -0.10 2.70 -0.41 12.44 1.75 -1.26 -0.58 119.30 133.85 2xfj s MET 235 Ca 0.02 -1.08 -0.16 0.00 -1.25 0.00 0.00 55.69 53.22 2xfj s MET 235 Cb -0.02 -3.09 0.02 0.00 2.84 0.00 0.00 34.83 34.58 2xfj s MET 235 CO -0.00 -0.49 0.36 0.42 -0.65 0.00 0.00 175.02 174.66 2xfj s ILE 236 N 1.31 5.18 -0.22 10.11 -1.09 -0.26 -4.87 121.20 131.37 2xfj s ILE 236 Ca -0.02 -0.47 -0.17 0.00 -2.23 0.00 0.00 60.65 57.77 2xfj s ILE 236 Cb -0.18 -3.96 -0.04 0.00 -1.58 0.00 0.00 42.46 36.71 2xfj s ILE 236 CO -0.03 -0.33 0.44 -0.63 -1.23 0.00 0.00 174.94 173.16 2xfj s ILE 237 N 1.89 5.16 0.00 2.92 1.01 -1.26 -1.24 121.20 129.68 2xfj s ILE 237 Ca 0.08 0.77 0.00 0.00 0.00 0.00 0.00 60.65 61.50 2xfj s ILE 237 Cb -0.18 -3.76 0.00 0.00 0.01 0.00 0.00 42.46 38.53 2xfj s ILE 237 CO 0.12 0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.86 2xfj n GLY 238 N 4.09 0.72 2.09 6.18 0.00 0.85 -4.81 105.19 114.31 2xfj n GLY 238 Ca -0.07 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.96 2xfj n GLY 238 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2xfj n GLY 239 N -2.51 0.48 3.10 -0.02 0.00 -1.24 -4.36 105.19 100.64 2xfj n GLY 239 Ca 0.00 -0.96 -0.30 0.00 0.00 0.00 0.00 46.02 44.77 2xfj n GLY 239 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2xfj s ILE 240 N -2.11 1.70 -0.39 -0.61 1.01 -1.26 -4.13 121.20 115.41 2xfj s ILE 240 Ca 0.15 -0.77 -0.13 0.00 0.00 0.00 0.00 60.65 59.91 2xfj s ILE 240 Cb -0.01 -1.52 0.02 0.00 0.01 0.00 0.00 42.46 40.96 2xfj s ILE 240 CO 0.00 0.48 0.25 -0.62 0.00 0.00 0.00 174.94 175.05 2xfj s ASP 241 N 0.86 5.93 0.60 3.58 3.68 -1.26 -4.97 116.67 125.08 2xfj s ASP 241 Ca -0.08 -0.94 0.38 0.00 2.13 0.00 0.00 52.55 54.03 2xfj s ASP 241 Cb -0.15 -2.09 1.85 0.00 -1.45 0.00 0.00 42.92 41.07 2xfj s ASP 241 CO -0.00 -0.42 2.17 0.45 0.13 0.00 0.00 175.17 177.50 2xfj h HIS 242 N 8.53 0.00 0.00 -5.34 3.86 -1.99 -2.11 115.15 118.11 2xfj h HIS 242 Ca -0.26 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.95 2xfj h HIS 242 Cb 1.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.58 2xfj h HIS 242 CO 0.56 0.02 0.00 -1.13 0.86 0.00 0.00 177.93 178.24 2xfj n SER 243 N -3.18 0.00 -0.63 2.45 3.41 -1.26 -3.35 113.62 111.06 2xfj n SER 243 Ca -0.01 0.45 0.12 0.00 -0.26 0.00 0.00 58.87 59.16 2xfj n SER 243 Cb 0.19 -0.48 0.13 0.00 -0.26 0.00 0.00 64.21 63.80 2xfj n SER 243 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2xfj n LEU 244 N -1.48 2.20 -4.00 1.04 4.77 -0.79 -4.79 117.00 113.97 2xfj n LEU 244 Ca 0.05 -0.76 -0.09 0.00 -0.03 0.00 0.00 56.01 55.18 2xfj n LEU 244 Cb 0.20 -0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.19 2xfj n LEU 244 CO 0.16 0.39 -0.12 -0.72 -1.33 0.00 0.00 177.39 175.77 2xfj s TYR 245 N -2.26 0.48 0.26 -1.77 1.13 -1.21 -0.58 117.35 113.40 2xfj s TYR 245 Ca 0.25 -0.86 0.09 0.00 -1.41 0.00 0.00 57.07 55.13 2xfj s TYR 245 Cb 0.19 -0.18 -0.05 0.00 -1.10 0.00 0.00 41.96 40.82 2xfj s TYR 245 CO 0.44 -0.62 -0.13 0.95 -2.51 0.00 0.00 175.55 173.68 2xfj s THR 246 N -3.97 2.00 0.00 -3.49 -4.23 -0.48 -4.80 115.64 100.68 2xfj s THR 246 Ca 0.16 -2.25 0.00 0.00 -1.18 0.00 0.00 61.69 58.42 2xfj s THR 246 Cb 0.05 -2.30 0.00 0.00 1.34 0.00 0.00 72.50 71.58 2xfj s THR 246 CO -0.02 -0.41 0.00 0.61 -0.54 0.00 0.00 174.62 174.26 2xfj n GLY 247 N -0.56 0.29 3.88 3.99 0.00 -1.26 -3.92 105.19 107.61 2xfj n GLY 247 Ca -0.06 -0.89 -0.33 0.00 0.00 0.00 0.00 46.02 44.74 2xfj n GLY 247 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2xfj s SER 248 N -4.00 6.58 -0.18 1.61 0.01 -1.26 -4.99 113.70 111.47 2xfj s SER 248 Ca 0.00 0.72 -0.22 0.00 1.31 0.00 0.00 55.95 57.75 2xfj s SER 248 Cb 0.00 -2.14 -0.02 0.00 0.21 0.00 0.00 66.02 64.06 2xfj s SER 248 CO 0.00 0.11 0.69 -0.76 0.41 0.00 0.00 173.24 173.68 2xfj s LEU 249 N -2.27 4.16 -0.11 2.44 1.43 -1.26 -4.46 118.68 118.60 2xfj s LEU 249 Ca 0.37 0.95 -0.03 0.00 -1.03 0.00 0.00 54.13 54.39 2xfj s LEU 249 Cb -0.13 -2.99 -0.03 0.00 0.03 0.00 0.00 46.19 43.07 2xfj s LEU 249 CO 0.21 -0.30 -0.00 0.26 0.23 0.00 0.00 176.35 176.75 2xfj s TRP 250 N 1.90 3.13 -0.10 0.29 0.52 -0.27 -4.88 118.94 119.53 2xfj s TRP 250 Ca 0.32 0.06 0.01 0.00 0.02 0.00 0.00 56.10 56.50 2xfj s TRP 250 Cb -0.16 -1.86 -0.02 0.00 -1.15 0.00 0.00 33.47 30.27 2xfj s TRP 250 CO 0.11 0.31 -0.11 0.71 0.02 0.00 0.00 176.95 177.99 2xfj s TYR 251 N -0.43 2.83 -0.05 -1.98 1.51 -1.26 -0.03 117.35 117.95 2xfj s TYR 251 Ca 0.08 -0.35 0.04 0.00 -1.01 0.00 0.00 57.07 55.83 2xfj s TYR 251 Cb -0.12 -1.78 -0.02 0.00 -0.11 0.00 0.00 41.96 39.93 2xfj s TYR 251 CO 0.02 0.01 -0.17 -0.08 -1.11 0.00 0.00 175.55 174.23 2xfj s THR 252 N -0.14 2.84 0.38 -0.71 -1.32 0.05 -3.75 115.64 112.99 2xfj s THR 252 Ca -0.00 -0.81 -0.26 0.00 -1.21 0.00 0.00 61.69 59.41 2xfj s THR 252 Cb -0.13 -2.09 -0.09 0.00 -1.51 0.00 0.00 72.50 68.68 2xfj s THR 252 CO 0.03 0.59 1.26 -2.84 -2.21 0.00 0.00 174.62 171.45 2xfj s PRO 253 N -0.65 4.09 -0.40 7.08 0.02 -1.26 -0.09 135.00 143.80 2xfj s PRO 253 Ca 0.10 2.07 -0.29 0.00 0.02 0.00 0.00 61.00 62.90 2xfj s PRO 253 Cb -0.11 -2.82 0.01 0.00 0.02 0.00 0.00 34.50 31.61 2xfj s PRO 253 CO 0.01 -0.36 1.33 0.42 -0.33 0.00 0.00 177.00 178.07 2xfj s ILE 254 N -1.27 4.02 0.29 2.83 1.01 -0.02 -4.57 121.20 123.49 2xfj s ILE 254 Ca 0.55 1.07 0.10 0.00 0.00 0.00 0.00 60.65 62.37 2xfj s ILE 254 Cb -0.36 -4.27 -0.01 0.00 0.01 0.00 0.00 42.46 37.83 2xfj s ILE 254 CO 0.47 -0.74 1.64 -0.09 0.00 0.00 0.00 174.94 176.22 2xfj h ARG 255 N 10.08 0.04 -2.41 2.79 2.43 -1.36 -3.44 114.38 122.51 2xfj h ARG 255 Ca -0.26 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 58.80 2xfj h ARG 255 Cb 1.09 0.00 -0.23 0.00 -0.42 0.00 0.00 29.97 30.42 2xfj h ARG 255 CO 1.08 0.60 -0.08 0.50 -1.51 0.00 0.00 179.97 180.56 2xfj s ARG 256 N -3.74 0.63 -0.99 0.20 3.52 -1.26 -5.08 118.95 112.22 2xfj s ARG 256 Ca -0.02 0.78 -0.20 0.00 -0.13 0.00 0.00 55.73 56.16 2xfj s ARG 256 Cb 0.13 0.29 0.11 0.00 -1.56 0.00 0.00 34.95 33.92 2xfj s ARG 256 CO 0.76 -0.08 1.27 -1.21 -0.81 0.00 0.00 175.30 175.23 2xfj s GLU 257 N 0.39 3.65 0.00 5.12 2.02 -1.26 -3.94 118.70 124.67 2xfj s GLU 257 Ca -0.01 -1.64 0.00 0.00 0.02 0.00 0.00 54.97 53.34 2xfj s GLU 257 Cb -0.04 -5.08 0.00 0.00 0.10 0.00 0.00 34.13 29.11 2xfj s GLU 257 CO -0.01 -1.92 0.00 -2.67 0.02 0.00 0.00 175.26 170.68 2xfj n TRP 258 N 7.24 0.00 -1.15 1.61 4.27 -1.26 -4.64 117.44 123.51 2xfj n TRP 258 Ca 0.29 0.00 -0.29 0.00 -3.89 0.00 0.00 57.50 53.60 2xfj n TRP 258 Cb 0.49 0.00 0.21 0.00 -1.36 0.00 0.00 31.31 30.65 2xfj n TRP 258 CO 0.00 0.00 0.00 0.71 -2.29 0.00 0.00 177.69 176.11 2xfj s TYR 259 N 0.00 1.27 -1.16 -2.67 2.02 -1.26 -1.34 117.35 114.21 2xfj s TYR 259 Ca 0.00 0.70 -0.18 0.00 -0.37 0.00 0.00 57.07 57.22 2xfj s TYR 259 Cb 0.00 -3.39 0.10 0.00 -0.40 0.00 0.00 41.96 38.27 2xfj s TYR 259 CO 0.00 -3.40 1.51 0.71 -1.57 0.00 0.00 175.55 172.80 2xfj s TYR 260 N -3.02 2.96 -0.02 2.71 1.51 -1.26 -4.82 117.35 115.41 2xfj s TYR 260 Ca 0.68 -1.56 -0.25 0.00 -1.01 0.00 0.00 57.07 54.94 2xfj s TYR 260 Cb -0.14 -4.56 -0.04 0.00 -0.11 0.00 0.00 41.96 37.11 2xfj s TYR 260 CO 0.57 -1.69 0.75 -2.00 -1.11 0.00 0.00 175.55 172.07 2xfj s GLU 261 N 3.49 4.47 0.40 -0.62 2.12 -1.25 -1.85 118.70 125.45 2xfj s GLU 261 Ca 0.46 1.01 0.03 0.00 0.36 0.00 0.00 54.97 56.83 2xfj s GLU 261 Cb 0.00 -3.42 -0.03 0.00 0.26 0.00 0.00 34.13 30.94 2xfj s GLU 261 CO -0.00 0.13 0.09 0.14 -0.54 0.00 0.00 175.26 175.08 2xfj s VAL 262 N 0.51 0.83 -0.14 3.70 -7.23 0.14 -0.95 120.40 117.26 2xfj s VAL 262 Ca 0.40 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.58 2xfj s VAL 262 Cb -0.19 -2.44 0.02 0.00 0.56 0.00 0.00 36.38 34.33 2xfj s VAL 262 CO 0.21 0.00 -0.17 -0.63 -0.31 0.00 0.00 175.10 174.20 2xfj s ILE 263 N -3.18 1.69 -0.16 -0.62 -1.09 -1.26 -3.98 121.20 112.59 2xfj s ILE 263 Ca 0.25 -0.73 -0.17 0.00 -2.23 0.00 0.00 60.65 57.76 2xfj s ILE 263 Cb 0.04 -1.54 -0.04 0.00 -1.58 0.00 0.00 42.46 39.34 2xfj s ILE 263 CO 0.13 0.48 0.45 -0.63 -1.23 0.00 0.00 174.94 174.14 2xfj s ILE 264 N 1.18 5.18 -0.34 2.92 1.01 -1.26 -0.83 121.20 129.06 2xfj s ILE 264 Ca -0.01 0.86 0.16 0.00 0.00 0.00 0.00 60.65 61.66 2xfj s ILE 264 Cb -0.14 -3.79 -0.22 0.00 0.01 0.00 0.00 42.46 38.32 2xfj s ILE 264 CO -0.06 0.28 0.50 1.33 0.00 0.00 0.00 174.94 176.99 2xfj n VAL 265 N 4.03 0.00 -3.59 2.92 0.24 0.40 -4.73 118.33 117.60 2xfj n VAL 265 Ca -0.07 -0.27 -0.12 0.00 -2.04 0.00 0.00 64.34 61.84 2xfj n VAL 265 Cb 0.51 0.50 -0.06 0.00 -1.47 0.00 0.00 33.84 33.32 2xfj n VAL 265 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2xfj s ARG 266 N -2.88 0.70 -0.04 7.34 3.52 -1.23 -4.77 118.95 121.58 2xfj s ARG 266 Ca -0.01 0.42 0.02 0.00 -0.13 0.00 0.00 55.73 56.03 2xfj s ARG 266 Cb 0.11 0.33 0.02 0.00 -1.56 0.00 0.00 34.95 33.85 2xfj s ARG 266 CO 0.68 -0.17 -0.07 0.08 -0.81 0.00 0.00 175.30 175.01 2xfj s VAL 267 N -0.52 0.74 0.03 7.11 1.01 -1.26 -0.65 120.40 126.86 2xfj s VAL 267 Ca -0.02 -0.27 0.07 0.00 0.00 0.00 0.00 61.98 61.76 2xfj s VAL 267 Cb -0.02 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.62 2xfj s VAL 267 CO 0.01 0.26 -0.20 -1.61 0.00 0.00 0.00 175.10 173.56 2xfj s GLU 268 N 0.68 1.39 -0.21 2.72 2.02 -0.49 -1.69 118.70 123.11 2xfj s GLU 268 Ca -0.11 -0.89 0.02 0.00 0.02 0.00 0.00 54.97 54.01 2xfj s GLU 268 Cb -0.14 -1.47 0.03 0.00 0.10 0.00 0.00 34.13 32.66 2xfj s GLU 268 CO 0.01 0.38 -0.17 0.42 0.02 0.00 0.00 175.26 175.92 2xfj s ILE 269 N -0.75 2.09 -1.47 -1.63 -1.09 -0.46 -0.76 121.20 117.13 2xfj s ILE 269 Ca 0.07 -1.19 -0.01 0.00 -2.23 0.00 0.00 60.65 57.29 2xfj s ILE 269 Cb -0.09 -2.00 0.00 0.00 -1.58 0.00 0.00 42.46 38.79 2xfj s ILE 269 CO 0.01 0.33 0.22 0.59 -1.23 0.00 0.00 174.94 174.87 2xfj n ASN 270 N 4.55 0.14 0.00 3.58 4.13 0.38 -1.70 115.26 126.35 2xfj n ASN 270 Ca -0.18 -1.15 0.00 0.00 1.68 0.00 0.00 54.58 54.92 2xfj n ASN 270 Cb 0.47 -2.29 0.00 0.00 -1.54 0.00 0.00 39.78 36.42 2xfj n ASN 270 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2xfj n GLY 271 N -2.28 1.11 3.61 7.41 0.00 -1.26 -4.99 105.19 108.78 2xfj n GLY 271 Ca -0.31 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 2xfj n GLY 271 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2xfj s GLN 272 N -0.22 4.02 0.31 1.61 -1.52 -0.69 -4.99 119.66 118.19 2xfj s GLN 272 Ca 0.00 0.06 -0.29 0.00 -1.95 0.00 0.00 55.36 53.18 2xfj s GLN 272 Cb 0.00 -3.66 -0.11 0.00 -0.22 0.00 0.00 33.01 29.03 2xfj s GLN 272 CO 0.00 -0.28 1.52 0.34 -0.25 0.00 0.00 175.29 176.62 2xfj s ASP 273 N 1.63 6.43 0.50 5.90 2.15 -1.26 -1.35 116.67 130.67 2xfj s ASP 273 Ca 0.15 2.92 0.32 0.00 0.43 0.00 0.00 52.55 56.37 2xfj s ASP 273 Cb -0.16 -2.64 1.39 0.00 -0.30 0.00 0.00 42.92 41.21 2xfj s ASP 273 CO 0.10 -0.84 1.96 -0.07 -0.17 0.00 0.00 175.17 176.14 2xfj h LEU 274 N 4.26 0.00 -1.91 -1.34 3.38 -1.71 -3.47 115.31 114.52 2xfj h LEU 274 Ca -0.48 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.20 2xfj h LEU 274 Cb 1.23 0.00 0.17 0.00 0.09 0.00 0.00 40.66 42.14 2xfj h LEU 274 CO 0.74 0.00 -0.75 0.29 0.09 0.00 0.00 178.44 178.81 2xfj n LYS 275 N -2.89 -5.04 -4.39 1.13 5.02 -1.26 -5.02 118.16 105.71 2xfj n LYS 275 Ca 0.01 0.81 -0.27 0.00 -2.02 0.00 0.00 58.31 56.83 2xfj n LYS 275 Cb 0.26 -5.66 -0.11 0.00 -0.02 0.00 0.00 35.03 29.50 2xfj n LYS 275 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 2xfj s MET 276 N -5.00 1.65 0.14 1.97 1.75 -1.26 -5.09 119.30 113.46 2xfj s MET 276 Ca 0.13 -1.45 -0.34 0.00 -1.25 0.00 0.00 55.69 52.78 2xfj s MET 276 Cb -0.02 -1.93 -0.13 0.00 2.84 0.00 0.00 34.83 35.59 2xfj s MET 276 CO 0.69 0.41 1.62 -3.47 -0.65 0.00 0.00 175.02 173.62 2xfj n ASP 277 N 0.25 3.20 0.29 1.11 -0.08 -1.26 -4.85 116.55 115.20 2xfj n ASP 277 Ca -0.12 1.07 0.19 0.00 -1.51 0.00 0.00 54.79 54.41 2xfj n ASP 277 Cb 0.56 -1.43 0.88 0.00 2.34 0.00 0.00 41.12 43.46 2xfj n ASP 277 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2xfj h LYS 279 N 0.00 0.00 -0.14 0.00 1.57 -1.84 -2.16 116.57 114.00 2xfj h LYS 279 Ca 0.00 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.74 2xfj h LYS 279 Cb 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 2xfj h LYS 279 CO 0.00 0.00 -0.09 0.93 -0.57 0.00 0.00 179.45 179.72 2xfj h GLU 280 N 0.00 0.21 0.00 3.15 4.39 -1.33 -1.44 114.58 119.56 2xfj h GLU 280 Ca 0.09 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 2xfj h GLU 280 Cb 0.37 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.98 2xfj h GLU 280 CO -0.00 0.31 -0.08 1.88 -1.16 0.00 0.00 179.01 179.96 2xfj h TYR 281 N 0.20 0.00 -0.00 4.33 0.99 -1.55 -3.09 116.97 117.85 2xfj h TYR 281 Ca 0.04 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.77 2xfj h TYR 281 Cb 0.29 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 38.02 2xfj h TYR 281 CO 0.00 0.08 -0.13 0.09 -0.00 0.00 0.00 178.16 178.20 2xfj n ASN 282 N -3.33 2.19 -4.58 3.88 3.02 -0.59 -4.48 115.26 111.38 2xfj n ASN 282 Ca -0.01 -3.30 -0.43 0.00 -0.03 0.00 0.00 54.58 50.81 2xfj n ASN 282 Cb 0.27 -0.46 -0.03 0.00 -0.61 0.00 0.00 39.78 38.95 2xfj n ASN 282 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 2xfj s TYR 283 N -2.97 2.86 -1.21 3.10 6.04 -0.92 -1.13 117.35 123.12 2xfj s TYR 283 Ca 0.34 0.49 0.10 0.00 0.04 0.00 0.00 57.07 58.04 2xfj s TYR 283 Cb 0.30 -4.18 0.10 0.00 -1.04 0.00 0.00 41.96 37.14 2xfj s TYR 283 CO 0.00 -1.20 0.86 -0.40 -1.54 0.00 0.00 175.55 173.28 2xfj n ASP 284 N 7.49 1.93 -3.51 4.32 5.75 -1.26 -3.15 116.55 128.11 2xfj n ASP 284 Ca 0.08 -1.47 -0.10 0.00 -0.01 0.00 0.00 54.79 53.29 2xfj n ASP 284 Cb 0.49 -0.02 -0.02 0.00 -1.03 0.00 0.00 41.12 40.54 2xfj n ASP 284 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 2xfj s LYS 285 N -0.85 1.30 -0.06 0.11 -2.85 -0.28 -4.62 119.74 112.49 2xfj s LYS 285 Ca 0.13 -0.54 0.04 0.00 -1.00 0.00 0.00 55.97 54.59 2xfj s LYS 285 Cb 0.09 0.56 0.00 0.00 -2.06 0.00 0.00 37.83 36.42 2xfj s LYS 285 CO 0.13 -0.58 -0.19 -1.12 0.10 0.00 0.00 175.35 173.69 2xfj s SER 286 N -2.75 2.40 0.13 0.03 0.01 -1.26 -0.94 113.70 111.32 2xfj s SER 286 Ca 0.04 -0.41 0.04 0.00 1.31 0.00 0.00 55.95 56.93 2xfj s SER 286 Cb -0.02 -0.87 -0.04 0.00 0.21 0.00 0.00 66.02 65.30 2xfj s SER 286 CO -0.09 0.14 -0.10 0.27 0.41 0.00 0.00 173.24 173.87 2xfj s ILE 287 N 0.23 1.07 -0.28 1.44 -4.36 -0.51 -0.69 121.20 118.11 2xfj s ILE 287 Ca -0.10 -1.94 -0.07 0.00 -0.26 0.00 0.00 60.65 58.28 2xfj s ILE 287 Cb -0.14 -1.71 -0.00 0.00 1.25 0.00 0.00 42.46 41.85 2xfj s ILE 287 CO 0.04 -0.71 0.07 -0.69 0.24 0.00 0.00 174.94 173.89 2xfj s VAL 288 N -3.13 4.03 -0.32 8.37 1.01 -0.77 -0.43 120.40 129.16 2xfj s VAL 288 Ca 0.13 -0.52 -0.02 0.00 0.00 0.00 0.00 61.98 61.58 2xfj s VAL 288 Cb 0.01 -3.00 0.11 0.00 0.00 0.00 0.00 36.38 33.51 2xfj s VAL 288 CO -0.00 0.19 0.15 -0.62 0.00 0.00 0.00 175.10 174.82 2xfj s ASP 289 N 1.53 3.46 0.48 3.32 -1.08 -0.28 -4.43 116.67 119.68 2xfj s ASP 289 Ca 0.04 -1.68 0.32 0.00 -0.52 0.00 0.00 52.55 50.71 2xfj s ASP 289 Cb -0.16 -0.49 1.52 0.00 -1.46 0.00 0.00 42.92 42.33 2xfj s ASP 289 CO 0.02 -0.39 1.97 0.77 0.52 0.00 0.00 175.17 178.06 2xfj h SER 290 N 7.86 0.00 0.54 -0.34 4.64 -1.85 -2.75 113.55 121.63 2xfj h SER 290 Ca -0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 2xfj h SER 290 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 2xfj h SER 290 CO 0.40 0.00 -0.32 0.61 -0.87 0.00 0.00 176.83 176.64 2xfj n GLY 291 N -0.48 -1.17 3.75 -0.77 0.00 -1.26 -4.53 105.19 100.74 2xfj n GLY 291 Ca -0.00 -0.30 -0.35 0.00 0.00 0.00 0.00 46.02 45.37 2xfj n GLY 291 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2xfj s THR 292 N -2.86 4.67 -0.08 2.61 2.01 -1.04 -4.97 115.64 115.99 2xfj s THR 292 Ca 0.16 -0.23 -0.19 0.00 0.31 0.00 0.00 61.69 61.74 2xfj s THR 292 Cb 0.18 -3.04 -0.15 0.00 0.01 0.00 0.00 72.50 69.50 2xfj s THR 292 CO 0.61 0.51 0.69 0.74 -0.69 0.00 0.00 174.62 176.49 2xfj h THR 293 N 3.79 0.90 -3.83 -0.82 2.02 -1.87 0.26 112.91 113.35 2xfj h THR 293 Ca -0.51 -1.37 -0.48 0.00 0.77 0.00 0.00 66.41 64.82 2xfj h THR 293 Cb 1.20 1.60 0.06 0.00 -1.74 0.00 0.00 68.15 69.26 2xfj h THR 293 CO 0.58 0.27 0.22 0.20 0.37 0.00 0.00 175.52 177.16 2xfj s ASN 294 N -5.65 5.67 -0.27 4.18 -0.87 -1.26 -1.34 114.94 115.39 2xfj s ASN 294 Ca -0.12 0.85 -0.29 0.00 -1.57 0.00 0.00 52.86 51.73 2xfj s ASN 294 Cb -0.00 -1.84 0.00 0.00 -0.02 0.00 0.00 41.25 39.39 2xfj s ASN 294 CO 0.44 -1.05 1.23 -0.22 -2.57 0.00 0.00 177.10 174.93 2xfj s LEU 295 N -5.04 3.96 -0.14 0.60 2.96 -0.46 -2.40 118.68 118.16 2xfj s LEU 295 Ca 0.54 1.27 -0.02 0.00 -0.22 0.00 0.00 54.13 55.70 2xfj s LEU 295 Cb -0.11 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.02 2xfj s LEU 295 CO 0.47 -0.95 -0.07 -0.13 -1.32 0.00 0.00 176.35 174.34 2xfj s ARG 296 N 3.88 3.56 0.07 1.98 0.52 0.15 -1.37 118.95 127.74 2xfj s ARG 296 Ca 0.53 -0.57 0.09 0.00 -0.52 0.00 0.00 55.73 55.25 2xfj s ARG 296 Cb -0.17 -2.81 -0.03 0.00 0.52 0.00 0.00 34.95 32.46 2xfj s ARG 296 CO 0.19 0.25 -0.24 -0.51 0.02 0.00 0.00 175.30 175.01 2xfj s LEU 297 N 0.32 2.22 0.38 2.53 1.43 0.12 -0.67 118.68 125.02 2xfj s LEU 297 Ca -0.06 -0.62 -0.26 0.00 -1.03 0.00 0.00 54.13 52.16 2xfj s LEU 297 Cb -0.15 -1.10 -0.11 0.00 0.03 0.00 0.00 46.19 44.86 2xfj s LEU 297 CO 0.04 0.17 1.15 -2.65 0.23 0.00 0.00 176.35 175.29 2xfj n PRO 298 N 1.49 1.70 -0.31 1.29 -0.02 -1.26 -0.40 135.00 137.49 2xfj n PRO 298 Ca -0.18 0.60 0.03 0.00 -2.02 0.00 0.00 63.50 61.94 2xfj n PRO 298 Cb 0.53 -2.18 0.11 0.00 -0.02 0.00 0.00 33.50 31.94 2xfj n PRO 298 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2xfj h LYS 299 N 1.99 -0.01 -0.73 -0.52 3.64 -1.93 0.13 116.57 119.15 2xfj h LYS 299 Ca -0.45 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 58.90 2xfj h LYS 299 Cb 1.31 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.10 2xfj h LYS 299 CO 0.60 -0.00 0.32 -0.22 -2.27 0.00 0.00 179.45 177.87 2xfj h LYS 300 N -0.01 1.05 -0.18 1.90 3.64 -1.93 -0.16 116.57 120.89 2xfj h LYS 300 Ca 0.41 -0.16 -0.19 0.00 -1.27 0.00 0.00 60.65 59.44 2xfj h LYS 300 Cb 0.64 -0.19 0.01 0.00 -0.41 0.00 0.00 32.23 32.28 2xfj h LYS 300 CO -0.91 0.83 -0.63 0.28 -2.27 0.00 0.00 179.45 176.76 2xfj h VAL 301 N 1.04 1.30 -0.22 2.00 2.07 -1.30 -2.59 116.25 118.55 2xfj h VAL 301 Ca 0.25 -1.85 0.03 0.00 0.82 0.00 0.00 66.70 65.95 2xfj h VAL 301 Cb 0.15 1.93 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 2xfj h VAL 301 CO -0.03 0.58 0.05 0.15 0.02 0.00 0.00 177.57 178.34 2xfj h PHE 302 N 0.46 0.08 -0.46 1.57 3.57 -0.46 0.61 116.94 122.32 2xfj h PHE 302 Ca -0.03 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 2xfj h PHE 302 Cb 1.26 -0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.97 2xfj h PHE 302 CO 0.09 0.03 0.13 0.93 -2.23 0.00 0.00 178.31 177.26 2xfj h GLU 303 N 0.13 0.72 -0.64 1.11 4.39 -1.07 -0.37 114.58 118.85 2xfj h GLU 303 Ca 0.10 -0.16 -0.05 0.00 0.34 0.00 0.00 59.36 59.60 2xfj h GLU 303 Cb 0.09 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 2xfj h GLU 303 CO -0.13 0.69 0.23 0.00 -1.16 0.00 0.00 179.01 178.64 2xfj h ALA 304 N 0.99 0.84 -0.22 3.43 0.00 -1.25 -1.77 119.26 121.27 2xfj h ALA 304 Ca 0.15 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2xfj h ALA 304 Cb 0.28 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2xfj h ALA 304 CO -0.00 0.49 0.07 0.00 0.00 0.00 0.00 179.25 179.81 2xfj h ALA 305 N 1.09 0.29 -0.84 0.00 0.00 -0.54 -2.48 119.26 116.79 2xfj h ALA 305 Ca 0.21 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 2xfj h ALA 305 Cb 0.26 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.92 2xfj h ALA 305 CO -0.01 -0.08 0.44 0.28 0.00 0.00 0.00 179.25 179.88 2xfj h VAL 306 N 0.19 1.25 -0.62 0.00 2.07 -1.00 -0.30 116.25 117.85 2xfj h VAL 306 Ca 0.07 -0.65 0.06 0.00 0.82 0.00 0.00 66.70 67.00 2xfj h VAL 306 Cb 0.24 0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 30.10 2xfj h VAL 306 CO -0.00 0.29 0.33 0.50 0.02 0.00 0.00 177.57 178.71 2xfj h LYS 307 N 1.17 0.60 -0.31 1.57 3.64 -1.20 0.17 116.57 122.21 2xfj h LYS 307 Ca 0.29 -0.04 -0.18 0.00 -1.27 0.00 0.00 60.65 59.46 2xfj h LYS 307 Cb 0.06 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 2xfj h LYS 307 CO -0.04 0.40 -0.51 1.03 -2.27 0.00 0.00 179.45 178.06 2xfj h SER 308 N 0.62 0.98 -0.43 4.20 0.87 -0.95 -0.99 113.55 117.84 2xfj h SER 308 Ca 0.28 -0.50 -0.15 0.00 -1.23 0.00 0.00 61.79 60.19 2xfj h SER 308 Cb 0.19 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 2xfj h SER 308 CO -0.19 1.30 -0.30 0.40 -0.53 0.00 0.00 176.83 177.52 2xfj h ILE 309 N 0.69 1.27 -0.33 2.23 2.04 -0.83 -1.40 117.51 121.19 2xfj h ILE 309 Ca 0.03 -1.47 0.04 0.00 1.00 0.00 0.00 64.86 64.46 2xfj h ILE 309 Cb 1.11 1.27 -0.04 0.00 -0.74 0.00 0.00 36.82 38.42 2xfj h ILE 309 CO 0.11 0.50 0.09 0.11 0.00 0.00 0.00 178.15 178.96 2xfj h LYS 310 N 0.80 0.20 -0.60 2.37 1.57 -0.58 -1.58 116.57 118.77 2xfj h LYS 310 Ca 0.08 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2xfj h LYS 310 Cb 0.89 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.13 2xfj h LYS 310 CO 0.08 0.14 0.38 0.00 -0.57 0.00 0.00 179.45 179.48 2xfj h ALA 311 N 1.23 0.76 -0.36 3.86 0.00 -0.99 -2.15 119.26 121.60 2xfj h ALA 311 Ca 0.15 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2xfj h ALA 311 Cb 0.15 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 2xfj h ALA 311 CO -0.18 0.21 0.05 0.00 0.00 0.00 0.00 179.25 179.32 2xfj h ALA 312 N 1.21 1.41 -0.61 0.00 0.00 -1.08 -3.08 119.26 117.10 2xfj h ALA 312 Ca 0.22 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2xfj h ALA 312 Cb -0.07 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.57 2xfj h ALA 312 CO -0.04 0.42 0.00 -1.13 0.00 0.00 0.00 179.25 178.50 2xfj n SER 313 N -4.31 5.02 0.00 0.00 3.41 -0.61 -4.69 113.62 112.45 2xfj n SER 313 Ca 0.02 -2.61 0.08 0.00 -0.26 0.00 0.00 58.87 56.09 2xfj n SER 313 Cb 0.22 -0.61 0.38 0.00 -0.26 0.00 0.00 64.21 63.94 2xfj n SER 313 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2xfj n SER 314 N 0.91 0.00 0.29 4.04 3.41 -0.84 -1.62 113.62 119.82 2xfj n SER 314 Ca 0.26 0.18 0.15 0.00 -0.26 0.00 0.00 58.87 59.20 2xfj n SER 314 Cb 0.98 -0.34 0.90 0.00 -0.26 0.00 0.00 64.21 65.49 2xfj n SER 314 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2xfj h THR 315 N 0.00 0.55 -3.98 6.66 1.03 -1.87 -3.41 112.91 111.89 2xfj h THR 315 Ca 0.00 0.00 -0.62 0.00 -0.01 0.00 0.00 66.41 65.78 2xfj h THR 315 Cb 0.18 0.99 -0.23 0.00 -1.07 0.00 0.00 68.15 68.02 2xfj h THR 315 CO 0.00 0.00 -0.85 -1.61 -0.01 0.00 0.00 175.52 173.05 2xfj s GLU 316 N -4.65 1.30 -0.13 0.00 2.02 -0.64 -5.14 118.70 111.45 2xfj s GLU 316 Ca -0.05 -1.20 0.02 0.00 0.02 0.00 0.00 54.97 53.76 2xfj s GLU 316 Cb 0.15 -1.63 0.00 0.00 0.10 0.00 0.00 34.13 32.76 2xfj s GLU 316 CO 0.55 0.39 -0.19 0.15 0.02 0.00 0.00 175.26 176.18 2xfj s LYS 317 N -1.82 3.13 0.15 1.61 -0.14 -1.26 -4.92 119.74 116.48 2xfj s LYS 317 Ca 0.10 -0.81 0.07 0.00 -1.36 0.00 0.00 55.97 53.97 2xfj s LYS 317 Cb -0.10 -2.49 -0.04 0.00 -1.68 0.00 0.00 37.83 33.52 2xfj s LYS 317 CO 0.04 0.06 -0.04 -0.06 -0.76 0.00 0.00 175.35 174.60 2xfj s PHE 318 N 0.66 2.81 0.58 3.18 0.40 -1.26 -5.10 117.98 119.25 2xfj s PHE 318 Ca -0.10 -0.14 -0.20 0.00 -0.60 0.00 0.00 56.93 55.89 2xfj s PHE 318 Cb -0.16 -1.40 -0.03 0.00 0.51 0.00 0.00 43.02 41.94 2xfj s PHE 318 CO 0.02 0.49 1.32 -1.25 0.70 0.00 0.00 175.22 176.50 2xfj s PRO 319 N -2.67 2.93 0.34 0.24 0.05 -1.26 -4.88 135.00 129.75 2xfj s PRO 319 Ca 0.25 2.13 0.10 0.00 0.05 0.00 0.00 61.00 63.53 2xfj s PRO 319 Cb -0.10 -2.09 0.84 0.00 0.05 0.00 0.00 34.50 33.21 2xfj s PRO 319 CO 0.17 -1.32 1.82 -0.44 0.05 0.00 0.00 177.00 177.27 2xfj h ASP 320 N 1.10 0.66 -0.21 6.66 3.32 -2.01 -0.71 116.42 125.23 2xfj h ASP 320 Ca -0.51 0.07 0.06 0.00 0.02 0.00 0.00 57.03 56.67 2xfj h ASP 320 Cb 1.31 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 2xfj h ASP 320 CO 0.56 0.27 0.17 1.23 -1.72 0.00 0.00 179.24 179.74 2xfj h GLY 321 N 0.66 0.00 0.85 2.75 0.00 -1.96 -1.41 103.07 103.96 2xfj h GLY 321 Ca 0.52 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.84 2xfj h GLY 321 CO -0.28 0.00 0.05 -2.75 0.00 0.00 0.00 176.54 173.56 2xfj h PHE 322 N 0.00 0.32 0.00 5.60 3.57 -1.32 0.10 116.94 125.21 2xfj h PHE 322 Ca 0.10 -0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.55 2xfj h PHE 322 Cb 0.44 -0.09 -0.00 0.00 2.79 0.00 0.00 35.95 39.09 2xfj h PHE 322 CO 0.00 0.42 -0.08 -1.49 -2.23 0.00 0.00 178.31 174.93 2xfj h TRP 323 N 0.12 0.00 -0.02 0.41 4.06 -1.34 -1.15 115.95 118.04 2xfj h TRP 323 Ca 0.06 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.01 2xfj h TRP 323 Cb 0.26 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.42 2xfj h TRP 323 CO 0.01 0.08 -0.08 1.28 -3.56 0.00 0.00 178.44 176.17 2xfj n LEU 324 N -3.31 1.61 -0.29 -4.49 4.77 -0.96 -4.95 117.00 109.39 2xfj n LEU 324 Ca -0.01 -0.52 -0.04 0.00 -0.03 0.00 0.00 56.01 55.41 2xfj n LEU 324 Cb 0.27 -0.03 -0.02 0.00 -2.33 0.00 0.00 43.42 41.32 2xfj n LEU 324 CO 0.28 0.28 -0.04 0.61 -1.33 0.00 0.00 177.39 177.19 2xfj n GLY 325 N 1.24 0.66 0.49 -0.72 0.00 -0.43 -4.89 105.19 101.54 2xfj n GLY 325 Ca 0.16 -0.51 0.13 0.00 0.00 0.00 0.00 46.02 45.81 2xfj n GLY 325 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2xfj n GLU 326 N -2.49 1.49 -3.62 1.61 1.02 0.31 -4.94 120.64 114.02 2xfj n GLU 326 Ca -0.04 -0.98 -0.14 0.00 -0.02 0.00 0.00 57.16 55.98 2xfj n GLU 326 Cb 0.17 -1.48 -0.07 0.00 -0.02 0.00 0.00 31.44 30.04 2xfj n GLU 326 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 2xfj s GLN 327 N -2.18 0.86 0.47 3.49 0.74 -1.12 -4.93 119.66 116.99 2xfj s GLN 327 Ca 0.31 0.92 -0.15 0.00 0.05 0.00 0.00 55.36 56.49 2xfj s GLN 327 Cb 0.20 0.42 -0.07 0.00 1.10 0.00 0.00 33.01 34.65 2xfj s GLN 327 CO 0.40 -0.12 0.91 -0.51 -0.55 0.00 0.00 175.29 175.42 2xfj s LEU 328 N 0.22 3.71 -0.08 3.68 1.43 -1.26 -4.34 118.68 122.04 2xfj s LEU 328 Ca -0.01 1.42 0.02 0.00 -1.03 0.00 0.00 54.13 54.53 2xfj s LEU 328 Cb -0.04 -4.34 -0.02 0.00 0.03 0.00 0.00 46.19 41.82 2xfj s LEU 328 CO 0.02 -0.51 -0.15 -0.69 0.23 0.00 0.00 176.35 175.25 2xfj s VAL 329 N -2.51 2.94 0.01 -1.59 1.01 -0.43 -4.93 120.40 114.89 2xfj s VAL 329 Ca 0.56 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.85 2xfj s VAL 329 Cb -0.10 -2.18 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 2xfj s VAL 329 CO 0.30 0.56 -0.16 0.00 0.00 0.00 0.00 175.10 175.81 2xfj s TRP 331 N -0.52 1.34 0.31 0.00 0.51 -0.50 -4.97 118.94 115.10 2xfj s TRP 331 Ca 0.05 -0.52 -0.28 0.00 -2.12 0.00 0.00 56.10 53.24 2xfj s TRP 331 Cb -0.07 -0.72 -0.13 0.00 -0.81 0.00 0.00 33.47 31.74 2xfj s TRP 331 CO 0.00 0.11 1.11 0.94 -0.51 0.00 0.00 176.95 178.60 2xfj n GLN 332 N 0.86 1.64 -1.56 4.98 7.27 -1.26 -0.05 117.38 129.25 2xfj n GLN 332 Ca -0.18 0.57 -0.54 0.00 0.07 0.00 0.00 57.00 56.93 2xfj n GLN 332 Cb 0.56 -2.02 -0.06 0.00 2.41 0.00 0.00 30.24 31.12 2xfj n GLN 332 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2xfj n ALA 333 N 0.25 -1.76 -0.98 1.69 0.00 -0.52 -1.63 120.51 117.56 2xfj n ALA 333 Ca 0.08 0.54 0.00 0.00 0.00 0.00 0.00 53.44 54.05 2xfj n ALA 333 Cb 0.34 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 17.81 2xfj n ALA 333 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2xfj n GLY 334 N 2.19 0.73 0.30 0.00 0.00 -1.26 -4.90 105.19 102.24 2xfj n GLY 334 Ca 0.19 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.23 2xfj n GLY 334 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2xfj n THR 335 N -2.53 0.70 -1.66 2.61 -2.24 -0.65 -5.03 114.28 105.47 2xfj n THR 335 Ca 0.00 -0.85 -0.54 0.00 -2.27 0.00 0.00 64.05 60.39 2xfj n THR 335 Cb 0.00 0.69 -0.06 0.00 -2.10 0.00 0.00 70.33 68.86 2xfj n THR 335 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2xfj n THR 336 N 0.11 0.21 -2.15 4.28 -1.04 -1.26 -4.83 114.28 109.61 2xfj n THR 336 Ca 0.05 -0.04 -0.42 0.00 -2.04 0.00 0.00 64.05 61.60 2xfj n THR 336 Cb 0.28 -1.18 0.00 0.00 -1.82 0.00 0.00 70.33 67.61 2xfj n THR 336 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2xfj n PRO 337 N 4.42 3.31 -0.32 -2.82 -0.04 -1.26 -4.78 135.00 133.50 2xfj n PRO 337 Ca 0.23 -3.19 0.12 0.00 -0.04 0.00 0.00 63.50 60.62 2xfj n PRO 337 Cb 0.18 -3.09 0.34 0.00 -0.04 0.00 0.00 33.50 30.90 2xfj n PRO 337 CO 0.00 0.00 0.00 -1.49 -0.04 0.00 0.00 175.50 173.97 2xfj h TRP 338 N 5.96 0.96 0.00 0.54 4.06 -1.96 -2.27 115.95 123.24 2xfj h TRP 338 Ca 0.46 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.44 2xfj h TRP 338 Cb 0.65 -0.30 0.00 0.00 -1.00 0.00 0.00 29.16 28.52 2xfj h TRP 338 CO 1.33 0.29 0.00 -0.91 -3.56 0.00 0.00 178.44 175.59 2xfj h ASN 339 N 0.76 0.00 1.49 -3.49 -0.26 -2.01 -1.90 115.58 110.17 2xfj h ASN 339 Ca 0.52 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.26 2xfj h ASN 339 Cb 0.80 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.06 2xfj h ASN 339 CO -0.28 0.00 0.00 0.16 -1.06 0.00 0.00 177.43 176.25 2xfj h ILE 340 N 0.00 0.00 -2.95 2.81 3.07 -1.77 -3.45 117.51 115.22 2xfj h ILE 340 Ca 0.00 -0.52 -0.62 0.00 1.55 0.00 0.00 64.86 65.27 2xfj h ILE 340 Cb 0.34 1.51 -0.06 0.00 -0.27 0.00 0.00 36.82 38.34 2xfj h ILE 340 CO 0.00 0.00 -0.25 -0.36 -1.05 0.00 0.00 178.15 176.49 2xfj s PHE 341 N -3.13 3.71 0.64 0.16 0.08 -0.71 -3.42 117.98 115.30 2xfj s PHE 341 Ca 0.10 0.91 -0.09 0.00 0.12 0.00 0.00 56.93 57.98 2xfj s PHE 341 Cb 0.11 -2.23 0.00 0.00 -0.57 0.00 0.00 43.02 40.34 2xfj s PHE 341 CO 0.59 0.66 0.99 -1.25 -0.10 0.00 0.00 175.22 176.11 2xfj s PRO 342 N -1.09 2.98 0.34 0.24 0.04 -1.26 -4.79 135.00 131.45 2xfj s PRO 342 Ca 0.22 0.26 -0.16 0.00 0.04 0.00 0.00 61.00 61.37 2xfj s PRO 342 Cb -0.16 -2.16 -0.09 0.00 0.04 0.00 0.00 34.50 32.13 2xfj s PRO 342 CO 0.12 -0.81 0.77 0.14 0.04 0.00 0.00 177.00 177.26 2xfj s VAL 343 N -3.15 4.64 -0.13 -0.36 -7.23 -1.26 -4.24 120.40 108.67 2xfj s VAL 343 Ca 0.55 1.03 0.02 0.00 -1.81 0.00 0.00 61.98 61.77 2xfj s VAL 343 Cb -0.11 -3.61 -0.00 0.00 0.56 0.00 0.00 36.38 33.22 2xfj s VAL 343 CO 0.49 -0.21 -0.18 -0.63 -0.31 0.00 0.00 175.10 174.25 2xfj s ILE 344 N -2.02 2.48 -0.19 -0.62 1.01 -0.41 -0.47 121.20 120.98 2xfj s ILE 344 Ca 0.55 -0.85 -0.03 0.00 0.00 0.00 0.00 60.65 60.32 2xfj s ILE 344 Cb -0.10 -2.01 -0.02 0.00 0.01 0.00 0.00 42.46 40.35 2xfj s ILE 344 CO 0.17 0.54 -0.05 -0.44 0.00 0.00 0.00 174.94 175.15 2xfj s SER 345 N 0.55 4.40 -0.23 3.58 0.01 0.06 -0.03 113.70 122.05 2xfj s SER 345 Ca -0.11 -0.31 -0.07 0.00 1.31 0.00 0.00 55.95 56.77 2xfj s SER 345 Cb -0.16 -1.73 -0.03 0.00 0.21 0.00 0.00 66.02 64.30 2xfj s SER 345 CO 0.04 0.06 0.07 -0.76 0.41 0.00 0.00 173.24 173.06 2xfj s LEU 346 N 0.98 3.54 -0.21 2.44 1.43 -0.26 -1.40 118.68 125.20 2xfj s LEU 346 Ca -0.00 -0.13 -0.14 0.00 -1.03 0.00 0.00 54.13 52.83 2xfj s LEU 346 Cb -0.15 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 2xfj s LEU 346 CO 0.00 0.02 0.31 -0.31 0.23 0.00 0.00 176.35 176.61 2xfj s TYR 347 N 1.28 3.36 -0.03 0.29 1.51 0.18 -0.99 117.35 122.94 2xfj s TYR 347 Ca 0.05 0.48 -0.00 0.00 -1.01 0.00 0.00 57.07 56.59 2xfj s TYR 347 Cb -0.15 -2.43 -0.04 0.00 -0.11 0.00 0.00 41.96 39.24 2xfj s TYR 347 CO 0.04 0.03 0.02 -0.51 -1.11 0.00 0.00 175.55 174.01 2xfj s LEU 348 N 1.17 3.62 0.21 -1.29 1.43 0.55 -0.45 118.68 123.92 2xfj s LEU 348 Ca 0.15 0.08 -0.32 0.00 -1.03 0.00 0.00 54.13 53.01 2xfj s LEU 348 Cb -0.14 -1.99 -0.14 0.00 0.03 0.00 0.00 46.19 43.95 2xfj s LEU 348 CO 0.06 0.32 1.44 0.80 0.23 0.00 0.00 176.35 179.20 2xfj n MET 349 N 1.63 2.00 -2.03 1.70 0.00 -0.01 -2.02 117.12 118.39 2xfj n MET 349 Ca -0.16 0.71 -0.29 0.00 -0.00 0.00 0.00 57.70 57.96 2xfj n MET 349 Cb 0.53 -2.39 0.19 0.00 0.00 0.00 0.00 33.22 31.55 2xfj n MET 349 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 2xfj s GLY 350 N 0.44 1.81 0.00 -5.12 0.00 0.48 -4.17 107.32 100.77 2xfj s GLY 350 Ca 0.72 -1.38 0.28 0.00 0.00 0.00 0.00 44.72 44.34 2xfj s GLY 350 CO 0.47 -0.58 1.82 1.18 0.00 0.00 0.00 173.10 175.99 2xfj n GLU 351 N -3.73 0.08 -4.70 2.90 1.02 -1.25 -4.61 120.64 110.35 2xfj n GLU 351 Ca 0.17 -0.02 -0.30 0.00 -0.02 0.00 0.00 57.16 56.99 2xfj n GLU 351 Cb 0.59 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 30.37 2xfj n GLU 351 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2xfj s VAL 352 N -2.93 2.21 0.09 2.62 1.01 -1.26 -5.08 120.40 117.05 2xfj s VAL 352 Ca 0.15 -1.53 -0.36 0.00 0.00 0.00 0.00 61.98 60.25 2xfj s VAL 352 Cb 0.19 -1.91 -0.16 0.00 0.00 0.00 0.00 36.38 34.50 2xfj s VAL 352 CO 0.56 0.26 1.40 0.41 0.00 0.00 0.00 175.10 177.73 2xfj n THR 353 N 1.44 0.02 -1.02 3.92 -1.04 -1.26 -2.00 114.28 114.32 2xfj n THR 353 Ca -0.17 -0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 61.83 2xfj n THR 353 Cb 0.52 -0.97 -0.00 0.00 -1.82 0.00 0.00 70.33 68.06 2xfj n THR 353 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2xfj n GLN 354 N 2.81 -1.86 -3.93 -2.82 1.13 -1.26 -4.97 117.38 106.48 2xfj n GLN 354 Ca 0.18 0.50 -0.30 0.00 -1.94 0.00 0.00 57.00 55.44 2xfj n GLN 354 Cb 0.21 -4.91 -0.04 0.00 0.11 0.00 0.00 30.24 25.61 2xfj n GLN 354 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2xfj s GLN 355 N -1.96 3.40 0.24 -1.09 -0.21 -0.85 -1.82 119.66 117.38 2xfj s GLN 355 Ca 0.00 -0.48 -0.06 0.00 0.02 0.00 0.00 55.36 54.84 2xfj s GLN 355 Cb 0.00 -3.01 -0.02 0.00 1.00 0.00 0.00 33.01 30.98 2xfj s GLN 355 CO 0.00 0.59 0.32 -1.54 -2.12 0.00 0.00 175.29 172.54 2xfj s SER 356 N -2.62 0.15 0.19 5.90 1.04 -0.04 -0.39 113.70 117.95 2xfj s SER 356 Ca 0.35 -1.21 0.01 0.00 0.48 0.00 0.00 55.95 55.58 2xfj s SER 356 Cb -0.13 0.50 -0.05 0.00 0.10 0.00 0.00 66.02 66.45 2xfj s SER 356 CO 0.28 -1.02 0.03 0.72 0.98 0.00 0.00 173.24 174.23 2xfj s PHE 357 N -3.98 1.26 0.06 5.02 -0.12 -0.86 -1.06 117.98 118.31 2xfj s PHE 357 Ca 0.31 -1.09 0.09 0.00 -0.05 0.00 0.00 56.93 56.19 2xfj s PHE 357 Cb 0.03 -0.72 -0.03 0.00 -0.63 0.00 0.00 43.02 41.67 2xfj s PHE 357 CO 0.12 -0.28 -0.24 -0.98 -0.05 0.00 0.00 175.22 173.79 2xfj s ARG 358 N -3.96 1.50 -0.11 1.99 1.70 0.37 -0.33 118.95 120.12 2xfj s ARG 358 Ca 0.28 -1.09 -0.00 0.00 -0.47 0.00 0.00 55.73 54.45 2xfj s ARG 358 Cb 0.07 -1.72 -0.02 0.00 -0.57 0.00 0.00 34.95 32.71 2xfj s ARG 358 CO 0.06 0.43 -0.10 0.96 -1.08 0.00 0.00 175.30 175.58 2xfj s ILE 359 N -0.88 3.39 -0.13 4.99 -4.36 -0.16 -1.18 121.20 122.87 2xfj s ILE 359 Ca 0.10 -0.56 -0.00 0.00 -0.26 0.00 0.00 60.65 59.92 2xfj s ILE 359 Cb -0.10 -2.42 -0.02 0.00 1.25 0.00 0.00 42.46 41.18 2xfj s ILE 359 CO 0.03 0.54 -0.13 -0.89 0.24 0.00 0.00 174.94 174.74 2xfj s THR 360 N -0.08 3.10 -0.16 8.37 2.01 -0.12 -1.10 115.64 127.67 2xfj s THR 360 Ca -0.01 -0.65 -0.02 0.00 0.31 0.00 0.00 61.69 61.33 2xfj s THR 360 Cb -0.14 -2.30 -0.02 0.00 0.01 0.00 0.00 72.50 70.06 2xfj s THR 360 CO 0.03 0.53 -0.09 -0.63 -0.69 0.00 0.00 174.62 173.77 2xfj s ILE 361 N 0.30 3.32 0.42 1.82 -1.09 0.96 -3.22 121.20 123.71 2xfj s ILE 361 Ca -0.10 -0.55 -0.00 0.00 -2.23 0.00 0.00 60.65 57.77 2xfj s ILE 361 Cb -0.16 -2.44 -0.02 0.00 -1.58 0.00 0.00 42.46 38.26 2xfj s ILE 361 CO 0.05 0.49 0.65 -0.76 -1.23 0.00 0.00 174.94 174.14 2xfj s LEU 362 N 0.66 3.77 0.61 2.97 1.43 -1.26 -1.29 118.68 125.57 2xfj s LEU 362 Ca -0.05 0.44 0.32 0.00 -1.03 0.00 0.00 54.13 53.81 2xfj s LEU 362 Cb -0.15 -3.32 1.93 0.00 0.03 0.00 0.00 46.19 44.68 2xfj s LEU 362 CO 0.02 -0.55 2.27 1.55 0.23 0.00 0.00 176.35 179.88 2xfj h PRO 363 N 0.49 0.00 0.00 1.29 0.13 -1.87 -0.63 132.00 131.41 2xfj h PRO 363 Ca -0.48 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2xfj h PRO 363 Cb 1.23 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 2xfj h PRO 363 CO 0.59 0.00 -0.01 1.96 -0.23 0.00 0.00 178.00 180.31 2xfj h GLN 364 N 0.00 0.00 0.07 0.86 7.50 -1.94 0.99 115.11 122.59 2xfj h GLN 364 Ca 0.00 0.00 -0.24 0.00 0.50 0.00 0.00 58.65 58.91 2xfj h GLN 364 Cb 0.03 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.55 2xfj h GLN 364 CO -0.00 0.01 -1.27 1.96 -1.50 0.00 0.00 178.83 178.03 2xfj h GLN 365 N 0.00 0.14 -0.01 1.46 4.20 -1.43 -3.41 115.11 116.06 2xfj h GLN 365 Ca -0.00 -0.24 0.00 0.00 0.06 0.00 0.00 58.65 58.47 2xfj h GLN 365 Cb 0.11 0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.98 2xfj h GLN 365 CO 0.00 1.12 -0.31 2.48 -0.67 0.00 0.00 178.83 181.45 2xfj n TYR 366 N -4.12 0.00 -3.52 2.96 0.18 -1.03 -4.42 117.16 107.21 2xfj n TYR 366 Ca -0.26 0.00 -0.42 0.00 1.88 0.00 0.00 57.90 59.10 2xfj n TYR 366 Cb 0.80 -0.12 -0.09 0.00 -0.38 0.00 0.00 39.34 39.55 2xfj n TYR 366 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 2xfj s LEU 367 N -2.56 5.45 -0.16 -3.48 1.43 0.32 -0.73 118.68 118.94 2xfj s LEU 367 Ca 0.22 -1.56 -0.20 0.00 -1.03 0.00 0.00 54.13 51.56 2xfj s LEU 367 Cb 0.19 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 44.32 2xfj s LEU 367 CO 0.55 -0.62 0.60 -0.60 0.23 0.00 0.00 176.35 176.51 2xfj s ARG 368 N 1.48 4.27 0.33 1.70 3.52 0.25 -4.74 118.95 125.75 2xfj s ARG 368 Ca 0.04 0.60 -0.28 0.00 -0.13 0.00 0.00 55.73 55.96 2xfj s ARG 368 Cb -0.24 -3.53 -0.10 0.00 -1.56 0.00 0.00 34.95 29.52 2xfj s ARG 368 CO 0.03 -0.11 1.21 -1.25 -0.81 0.00 0.00 175.30 174.37 2xfj s PRO 369 N 1.47 4.36 -0.32 5.12 0.04 -1.26 -0.80 135.00 143.61 2xfj s PRO 369 Ca 0.29 2.01 -0.02 0.00 0.04 0.00 0.00 61.00 63.32 2xfj s PRO 369 Cb -0.16 -3.01 0.06 0.00 0.04 0.00 0.00 34.50 31.43 2xfj s PRO 369 CO 0.11 -0.11 0.03 0.08 0.04 0.00 0.00 177.00 177.16 2xfj s VAL 370 N -1.21 3.05 0.02 -0.36 1.01 -0.34 -4.86 120.40 117.71 2xfj s VAL 370 Ca 0.50 -1.48 -0.30 0.00 0.00 0.00 0.00 61.98 60.70 2xfj s VAL 370 Cb -0.35 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.18 2xfj s VAL 370 CO 0.46 -0.19 1.00 -1.61 0.00 0.00 0.00 175.10 174.76 2xfj s GLU 371 N 1.24 4.56 -0.30 2.72 8.01 -1.26 -4.57 118.70 129.10 2xfj s GLU 371 Ca -0.03 1.46 -0.10 0.00 0.01 0.00 0.00 54.97 56.32 2xfj s GLU 371 Cb -0.20 -3.44 0.17 0.00 -4.31 0.00 0.00 34.13 26.35 2xfj s GLU 371 CO -0.01 -0.05 0.83 0.34 0.01 0.00 0.00 175.26 176.39 2xfj s ASP 372 N 0.90 -0.88 0.28 -0.19 -1.08 -1.26 -5.02 116.67 109.43 2xfj s ASP 372 Ca 0.52 0.83 0.03 0.00 -0.52 0.00 0.00 52.55 53.41 2xfj s ASP 372 Cb -0.22 1.85 0.63 0.00 -1.46 0.00 0.00 42.92 43.72 2xfj s ASP 372 CO 0.28 -0.17 1.79 0.58 0.52 0.00 0.00 175.17 178.17 2xfj h VAL 373 N 5.69 0.76 -0.55 1.11 2.07 -1.99 -1.95 116.25 121.39 2xfj h VAL 373 Ca -0.18 -0.27 0.06 0.00 0.82 0.00 0.00 66.70 67.14 2xfj h VAL 373 Cb 1.14 -0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 2xfj h VAL 373 CO 0.09 0.14 0.36 0.00 0.02 0.00 0.00 177.57 178.19 2xfj h ALA 374 N 1.59 1.87 -0.60 1.67 0.00 -2.01 -1.72 119.26 120.07 2xfj h ALA 374 Ca 0.52 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.42 2xfj h ALA 374 Cb 0.72 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2xfj h ALA 374 CO -0.35 0.03 0.00 0.25 0.00 0.00 0.00 179.25 179.18 2xfj n THR 375 N -4.47 0.79 1.62 0.00 -2.24 -0.75 -4.72 114.28 104.51 2xfj n THR 375 Ca 0.08 -0.84 0.11 0.00 -2.27 0.00 0.00 64.05 61.12 2xfj n THR 375 Cb 0.25 0.52 0.63 0.00 -2.10 0.00 0.00 70.33 69.63 2xfj n THR 375 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2xfj n SER 376 N 1.40 0.00 0.26 3.42 3.41 -0.65 -0.92 113.62 120.55 2xfj n SER 376 Ca 0.21 -0.96 0.14 0.00 -0.26 0.00 0.00 58.87 58.01 2xfj n SER 376 Cb 0.55 0.00 0.70 0.00 -0.26 0.00 0.00 64.21 65.21 2xfj n SER 376 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 2xfj h GLN 377 N 0.00 0.00 -6.04 4.33 3.07 -1.84 -3.45 115.11 111.17 2xfj h GLN 377 Ca 0.00 0.00 -0.55 0.00 0.09 0.00 0.00 58.65 58.19 2xfj h GLN 377 Cb 0.00 0.00 -0.08 0.00 0.08 0.00 0.00 27.48 27.48 2xfj h GLN 377 CO 0.00 0.11 -0.51 -0.51 0.09 0.00 0.00 178.83 178.00 2xfj s ASP 378 N -5.94 4.62 -0.19 0.06 1.11 -0.09 -1.43 116.67 114.79 2xfj s ASP 378 Ca -0.01 -0.87 -0.07 0.00 0.18 0.00 0.00 52.55 51.78 2xfj s ASP 378 Cb 0.11 -0.63 -0.04 0.00 1.07 0.00 0.00 42.92 43.44 2xfj s ASP 378 CO 0.57 -0.40 0.05 -1.81 1.18 0.00 0.00 175.17 174.75 2xfj s ASP 379 N -3.89 5.39 0.05 0.27 -0.00 0.92 -4.63 116.67 114.79 2xfj s ASP 379 Ca 0.40 -0.02 0.08 0.00 -0.00 0.00 0.00 52.55 53.01 2xfj s ASP 379 Cb -0.01 -1.93 -0.03 0.00 -0.00 0.00 0.00 42.92 40.96 2xfj s ASP 379 CO 0.23 0.13 -0.22 0.00 -0.00 0.00 0.00 175.17 175.30 2xfj s TYR 381 N -0.85 0.31 -0.04 0.00 1.51 -0.10 -1.20 117.35 116.97 2xfj s TYR 381 Ca 0.09 -0.51 -0.01 0.00 -1.01 0.00 0.00 57.07 55.63 2xfj s TYR 381 Cb -0.09 -0.21 -0.04 0.00 -0.11 0.00 0.00 41.96 41.51 2xfj s TYR 381 CO 0.02 -0.17 0.02 0.15 -1.11 0.00 0.00 175.55 174.47 2xfj s LYS 382 N -1.42 2.95 -0.22 -0.62 1.02 0.02 -1.32 119.74 120.16 2xfj s LYS 382 Ca -0.15 -0.48 -0.29 0.00 0.02 0.00 0.00 55.97 55.07 2xfj s LYS 382 Cb -0.10 -2.78 -0.01 0.00 -0.52 0.00 0.00 37.83 34.42 2xfj s LYS 382 CO -0.01 0.67 1.33 0.12 -0.92 0.00 0.00 175.35 176.54 2xfj s PHE 383 N -1.02 2.67 -0.40 3.18 5.36 -1.26 -0.59 117.98 125.92 2xfj s PHE 383 Ca 0.17 0.87 0.06 0.00 -0.96 0.00 0.00 56.93 57.07 2xfj s PHE 383 Cb -0.12 -3.72 0.66 0.00 -0.34 0.00 0.00 43.02 39.50 2xfj s PHE 383 CO 0.07 -1.94 1.83 0.00 -1.46 0.00 0.00 175.22 173.73 2xfj n ALA 384 N 7.21 5.22 -3.15 11.12 0.00 0.09 -4.61 120.51 136.40 2xfj n ALA 384 Ca 0.15 -2.84 -0.32 0.00 0.00 0.00 0.00 53.44 50.42 2xfj n ALA 384 Cb 0.45 -1.30 -0.16 0.00 0.00 0.00 0.00 19.45 18.45 2xfj n ALA 384 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2xfj s ILE 385 N -3.24 2.56 0.29 0.00 1.01 -1.26 -1.35 121.20 119.21 2xfj s ILE 385 Ca 0.55 -0.84 -0.06 0.00 0.00 0.00 0.00 60.65 60.30 2xfj s ILE 385 Cb 0.46 -2.03 -0.01 0.00 0.01 0.00 0.00 42.46 40.89 2xfj s ILE 385 CO 0.10 0.54 0.43 -0.94 0.00 0.00 0.00 174.94 175.07 2xfj s SER 386 N 0.35 0.44 0.29 3.58 1.04 -0.47 -4.87 113.70 114.05 2xfj s SER 386 Ca -0.15 -1.27 0.01 0.00 0.48 0.00 0.00 55.95 55.02 2xfj s SER 386 Cb -0.17 0.60 -0.03 0.00 0.10 0.00 0.00 66.02 66.52 2xfj s SER 386 CO 0.07 -1.18 0.48 0.00 0.98 0.00 0.00 173.24 173.59 2xfj s GLN 387 N -3.54 3.49 -0.00 4.02 -2.07 -1.26 -0.70 119.66 119.59 2xfj s GLN 387 Ca 0.29 -0.42 -0.03 0.00 -1.82 0.00 0.00 55.36 53.37 2xfj s GLN 387 Cb 0.00 -2.75 -0.00 0.00 -1.09 0.00 0.00 33.01 29.17 2xfj s GLN 387 CO 0.15 0.26 0.06 0.45 -1.32 0.00 0.00 175.29 174.89 2xfj s SER 388 N -3.83 0.06 0.00 12.60 0.15 0.46 -4.69 113.70 118.46 2xfj s SER 388 Ca 0.38 -0.17 0.13 0.00 0.70 0.00 0.00 55.95 56.99 2xfj s SER 388 Cb -0.10 0.16 0.26 0.00 -1.71 0.00 0.00 66.02 64.63 2xfj s SER 388 CO 0.33 -0.23 1.15 -1.54 1.20 0.00 0.00 173.24 174.15 2xfj n SER 389 N 2.06 2.70 -0.61 5.45 3.41 -1.26 -3.19 113.62 122.19 2xfj n SER 389 Ca -0.19 -1.82 0.06 0.00 -0.26 0.00 0.00 58.87 56.66 2xfj n SER 389 Cb 0.57 -0.16 0.17 0.00 -0.26 0.00 0.00 64.21 64.53 2xfj n SER 389 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2xfj n THR 390 N 0.73 1.88 -0.07 6.66 -2.24 -1.26 -4.87 114.28 115.11 2xfj n THR 390 Ca 0.11 -2.79 0.00 0.00 -2.27 0.00 0.00 64.05 59.10 2xfj n THR 390 Cb 0.41 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.54 2xfj n THR 390 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2xfj n GLY 391 N -0.98 -3.67 3.73 3.38 0.00 -1.19 -4.45 105.19 102.02 2xfj n GLY 391 Ca 0.17 -1.94 -0.41 0.00 0.00 0.00 0.00 46.02 43.83 2xfj n GLY 391 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2xfj s THR 392 N -0.94 4.10 -0.23 2.61 2.01 -0.12 -4.44 115.64 118.63 2xfj s THR 392 Ca 0.00 1.77 0.02 0.00 0.31 0.00 0.00 61.69 63.79 2xfj s THR 392 Cb 0.00 -4.13 0.04 0.00 0.01 0.00 0.00 72.50 68.43 2xfj s THR 392 CO 0.00 0.28 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.39 2xfj s VAL 393 N -0.09 2.04 -0.91 3.82 1.01 0.15 -1.43 120.40 124.99 2xfj s VAL 393 Ca 0.49 -1.32 -0.21 0.00 0.00 0.00 0.00 61.98 60.95 2xfj s VAL 393 Cb -0.27 -2.05 0.10 0.00 0.00 0.00 0.00 36.38 34.16 2xfj s VAL 393 CO 0.33 0.17 1.19 -0.04 0.00 0.00 0.00 175.10 176.75 2xfj s MET 394 N 1.21 3.51 0.00 2.72 -1.94 0.43 -0.67 119.30 124.56 2xfj s MET 394 Ca -0.03 -1.41 0.00 0.00 -1.71 0.00 0.00 55.69 52.54 2xfj s MET 394 Cb -0.17 -4.91 0.00 0.00 2.01 0.00 0.00 34.83 31.76 2xfj s MET 394 CO -0.08 -1.90 0.00 0.41 -0.01 0.00 0.00 175.02 173.44 2xfj n GLY 395 N 5.83 -0.28 0.28 -0.03 0.00 -1.01 -1.12 105.19 108.85 2xfj n GLY 395 Ca 0.22 -1.79 0.05 0.00 0.00 0.00 0.00 46.02 44.49 2xfj n GLY 395 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2xfj h ALA 396 N -1.33 1.76 -0.10 4.61 0.00 -0.17 -1.01 119.26 123.02 2xfj h ALA 396 Ca 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2xfj h ALA 396 Cb 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2xfj h ALA 396 CO 0.00 0.20 0.04 0.28 0.00 0.00 0.00 179.25 179.77 2xfj h VAL 397 N 0.31 1.04 0.20 0.00 2.07 -1.46 0.57 116.25 118.98 2xfj h VAL 397 Ca 0.08 -0.14 -0.31 0.00 0.82 0.00 0.00 66.70 67.15 2xfj h VAL 397 Cb 0.05 0.93 0.02 0.00 -1.52 0.00 0.00 31.29 30.77 2xfj h VAL 397 CO -0.01 0.05 -1.47 0.40 0.02 0.00 0.00 177.57 176.56 2xfj h ILE 398 N 0.13 1.17 -0.03 4.57 1.08 -1.47 -3.35 117.51 119.62 2xfj h ILE 398 Ca 0.04 -2.58 -0.10 0.00 -0.39 0.00 0.00 64.86 61.83 2xfj h ILE 398 Cb 0.03 2.94 -0.01 0.00 -3.07 0.00 0.00 36.82 36.71 2xfj h ILE 398 CO -0.00 0.80 -0.46 0.24 -0.69 0.00 0.00 178.15 178.04 2xfj h MET 399 N 0.00 0.06 -6.63 2.37 2.86 -0.97 -3.43 114.93 109.20 2xfj h MET 399 Ca -0.28 -0.03 -0.56 0.00 -2.06 0.00 0.00 59.70 56.77 2xfj h MET 399 Cb 2.03 0.00 0.08 0.00 0.06 0.00 0.00 31.60 33.76 2xfj h MET 399 CO 0.20 0.51 0.77 0.39 1.06 0.00 0.00 176.91 179.84 2xfj n GLU 400 N -3.99 2.32 -0.98 1.72 1.02 0.15 -1.34 120.64 119.54 2xfj n GLU 400 Ca -0.02 0.83 0.00 0.00 -0.02 0.00 0.00 57.16 57.95 2xfj n GLU 400 Cb 0.49 -2.57 0.00 0.00 -0.02 0.00 0.00 31.44 29.34 2xfj n GLU 400 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2xfj n GLY 401 N 2.63 0.81 3.48 0.62 0.00 -0.88 -4.87 105.19 106.99 2xfj n GLY 401 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 2xfj n GLY 401 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2xfj s PHE 402 N -3.31 2.47 -0.30 1.61 0.40 -0.45 -1.82 117.98 116.58 2xfj s PHE 402 Ca 0.00 -0.29 -0.14 0.00 -0.60 0.00 0.00 56.93 55.90 2xfj s PHE 402 Cb 0.00 -1.26 -0.03 0.00 0.51 0.00 0.00 43.02 42.24 2xfj s PHE 402 CO 0.00 0.44 0.31 -0.47 0.70 0.00 0.00 175.22 176.21 2xfj s TYR 403 N -1.42 3.23 -0.21 0.36 5.04 0.11 -4.24 117.35 120.22 2xfj s TYR 403 Ca 0.20 0.15 -0.01 0.00 -2.44 0.00 0.00 57.07 54.97 2xfj s TYR 403 Cb -0.09 -2.55 0.01 0.00 0.35 0.00 0.00 41.96 39.68 2xfj s TYR 403 CO 0.11 -0.29 -0.11 0.08 -1.34 0.00 0.00 175.55 174.00 2xfj s VAL 404 N 1.95 2.76 -0.30 3.14 1.01 -0.57 -1.66 120.40 126.72 2xfj s VAL 404 Ca 0.11 -0.78 -0.11 0.00 0.00 0.00 0.00 61.98 61.21 2xfj s VAL 404 Cb -0.16 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.94 2xfj s VAL 404 CO 0.11 0.42 0.17 -0.69 0.00 0.00 0.00 175.10 175.11 2xfj s VAL 405 N 1.37 4.94 -0.99 2.92 1.01 0.47 -0.57 120.40 129.56 2xfj s VAL 405 Ca 0.04 -0.16 -0.16 0.00 0.00 0.00 0.00 61.98 61.70 2xfj s VAL 405 Cb -0.14 -3.45 0.17 0.00 0.00 0.00 0.00 36.38 32.96 2xfj s VAL 405 CO -0.07 0.14 1.14 -0.36 0.00 0.00 0.00 175.10 175.95 2xfj s PHE 406 N 1.68 3.40 -1.21 5.22 0.08 0.82 -0.76 117.98 127.21 2xfj s PHE 406 Ca 0.06 -1.77 -0.13 0.00 0.12 0.00 0.00 56.93 55.22 2xfj s PHE 406 Cb -0.17 -4.18 0.18 0.00 -0.57 0.00 0.00 43.02 38.29 2xfj s PHE 406 CO 0.08 -1.34 1.45 -3.47 -0.10 0.00 0.00 175.22 171.84 2xfj n ASP 407 N 5.62 5.26 -0.31 1.36 -0.08 -0.40 -2.38 116.55 125.63 2xfj n ASP 407 Ca 0.25 -3.01 -0.03 0.00 -1.51 0.00 0.00 54.79 50.50 2xfj n ASP 407 Cb 0.47 -1.54 0.13 0.00 2.34 0.00 0.00 41.12 42.52 2xfj n ASP 407 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 2xfj h ARG 408 N 6.89 1.19 -0.76 -0.67 3.08 -1.75 -0.62 114.38 121.75 2xfj h ARG 408 Ca 0.31 -0.12 0.09 0.00 0.07 0.00 0.00 59.98 60.33 2xfj h ARG 408 Cb 0.84 -0.24 -0.05 0.00 0.08 0.00 0.00 29.97 30.60 2xfj h ARG 408 CO 1.27 0.85 0.50 0.00 -1.07 0.00 0.00 179.97 181.51 2xfj h ALA 409 N 1.35 1.79 -0.23 0.04 0.00 -1.62 -2.29 119.26 118.30 2xfj h ALA 409 Ca 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2xfj h ALA 409 Cb -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.62 2xfj h ALA 409 CO -0.05 0.05 0.00 0.54 0.00 0.00 0.00 179.25 179.79 2xfj n ARG 410 N -4.50 2.73 -3.84 0.00 1.74 -0.99 -4.99 116.66 106.81 2xfj n ARG 410 Ca 0.12 -2.41 -0.24 0.00 -0.77 0.00 0.00 57.85 54.55 2xfj n ARG 410 Cb 0.32 -1.53 0.01 0.00 -1.02 0.00 0.00 32.46 30.24 2xfj n ARG 410 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2xfj n LYS 411 N -0.27 -4.15 -3.81 5.56 5.02 -0.30 -4.91 118.16 115.30 2xfj n LYS 411 Ca 0.15 0.51 -0.10 0.00 -2.02 0.00 0.00 58.31 56.86 2xfj n LYS 411 Cb 0.64 -4.89 -0.07 0.00 -0.02 0.00 0.00 35.03 30.69 2xfj n LYS 411 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2xfj s ARG 412 N -6.30 0.83 -0.12 1.97 1.70 -0.84 -0.84 118.95 115.36 2xfj s ARG 412 Ca 0.05 -0.78 0.03 0.00 -0.47 0.00 0.00 55.73 54.56 2xfj s ARG 412 Cb -0.03 0.34 0.01 0.00 -0.57 0.00 0.00 34.95 34.71 2xfj s ARG 412 CO 0.85 -0.27 -0.20 0.42 -1.08 0.00 0.00 175.30 175.02 2xfj s ILE 413 N -3.33 1.87 -0.08 4.99 1.01 0.88 -1.28 121.20 125.27 2xfj s ILE 413 Ca 0.01 -0.88 -0.05 0.00 0.00 0.00 0.00 60.65 59.73 2xfj s ILE 413 Cb 0.02 -1.66 -0.04 0.00 0.01 0.00 0.00 42.46 40.79 2xfj s ILE 413 CO -0.08 0.52 0.13 -0.83 0.00 0.00 0.00 174.94 174.67 2xfj s GLY 414 N 0.74 2.12 -0.05 6.18 0.00 0.06 -0.77 107.32 115.60 2xfj s GLY 414 Ca -0.10 -0.71 0.04 0.00 0.00 0.00 0.00 44.72 43.96 2xfj s GLY 414 CO 0.01 -0.49 -0.18 -1.36 0.00 0.00 0.00 173.10 171.08 2xfj s PHE 415 N -1.10 1.81 0.05 1.90 0.40 0.96 -0.39 117.98 121.61 2xfj s PHE 415 Ca 0.18 -0.56 -0.02 0.00 -0.60 0.00 0.00 56.93 55.93 2xfj s PHE 415 Cb -0.12 -1.23 -0.03 0.00 0.51 0.00 0.00 43.02 42.15 2xfj s PHE 415 CO 0.08 -0.20 0.01 0.00 0.70 0.00 0.00 175.22 175.81 2xfj s ALA 416 N 0.11 0.33 0.15 5.36 0.00 -0.66 -1.11 121.76 125.92 2xfj s ALA 416 Ca -0.06 -1.02 -0.31 0.00 0.00 0.00 0.00 51.96 50.56 2xfj s ALA 416 Cb -0.13 0.29 -0.10 0.00 0.00 0.00 0.00 23.12 23.18 2xfj s ALA 416 CO 0.03 -0.37 1.55 0.08 0.00 0.00 0.00 175.76 177.06 2xfj s VAL 417 N -3.58 2.77 0.49 0.00 1.01 -1.25 0.08 120.40 119.91 2xfj s VAL 417 Ca 0.04 0.52 -0.13 0.00 0.00 0.00 0.00 61.98 62.40 2xfj s VAL 417 Cb 0.05 -3.33 -0.07 0.00 0.00 0.00 0.00 36.38 33.03 2xfj s VAL 417 CO -0.09 0.04 0.91 -0.55 0.00 0.00 0.00 175.10 175.41 2xfj s SER 418 N 1.29 6.53 0.63 3.32 0.15 -0.76 -1.38 113.70 123.48 2xfj s SER 418 Ca 0.70 1.38 0.35 0.00 0.70 0.00 0.00 55.95 59.08 2xfj s SER 418 Cb -0.42 -2.43 1.99 0.00 -1.71 0.00 0.00 66.02 63.44 2xfj s SER 418 CO 0.31 -0.56 2.21 0.00 1.20 0.00 0.00 173.24 176.40 2xfj h ALA 419 N 0.84 1.37 -0.97 5.45 0.00 -1.15 -1.19 119.26 123.62 2xfj h ALA 419 Ca -0.47 -0.00 -0.65 0.00 0.00 0.00 0.00 54.91 53.79 2xfj h ALA 419 Cb 1.19 0.00 -0.34 0.00 0.00 0.00 0.00 17.79 18.65 2xfj h ALA 419 CO 0.62 -0.13 0.32 0.00 0.00 0.00 0.00 179.25 180.06 2xfj s HIS 421 N -3.78 2.53 -0.07 0.00 -0.00 -0.45 -4.33 115.29 109.19 2xfj s HIS 421 Ca 0.58 1.57 -0.12 0.00 -0.00 0.00 0.00 55.06 57.09 2xfj s HIS 421 Cb 0.46 -3.06 -0.05 0.00 -0.00 0.00 0.00 32.58 29.93 2xfj s HIS 421 CO -0.07 -1.84 0.29 0.14 -0.00 0.00 0.00 174.74 173.25 2xfj s VAL 422 N -2.88 5.25 -0.17 -5.38 -7.23 -1.26 -5.00 120.40 103.72 2xfj s VAL 422 Ca 0.62 0.56 -0.30 0.00 -1.81 0.00 0.00 61.98 61.04 2xfj s VAL 422 Cb -0.17 -3.58 0.14 0.00 0.56 0.00 0.00 36.38 33.32 2xfj s VAL 422 CO 0.56 0.57 1.07 -1.38 -0.31 0.00 0.00 175.10 175.61 2xfj s HIS 423 N -0.88 -0.29 0.00 2.82 -3.43 -1.26 -1.58 115.29 110.68 2xfj s HIS 423 Ca 0.19 0.46 0.00 0.00 -0.80 0.00 0.00 55.06 54.91 2xfj s HIS 423 Cb -0.14 0.47 0.00 0.00 -1.43 0.00 0.00 32.58 31.48 2xfj s HIS 423 CO 0.09 -0.29 0.00 -0.40 -2.00 0.00 0.00 174.74 172.13 2xfj n ASP 424 N 0.56 1.48 -0.04 7.38 5.68 -0.62 -5.02 116.55 125.97 2xfj n ASP 424 Ca -0.08 -0.06 0.15 0.00 -0.50 0.00 0.00 54.79 54.30 2xfj n ASP 424 Cb 0.58 0.00 0.71 0.00 -1.14 0.00 0.00 41.12 41.28 2xfj n ASP 424 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 2xfj n GLU 425 N 0.00 0.56 -0.04 0.11 0.00 -1.26 -3.95 120.64 116.06 2xfj n GLU 425 Ca 0.00 -0.08 -0.05 0.00 0.00 0.00 0.00 57.16 57.03 2xfj n GLU 425 Cb 0.00 -1.50 -0.05 0.00 0.00 0.00 0.00 31.44 29.89 2xfj n GLU 425 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 2xfj n PHE 426 N -1.15 0.00 -4.13 -1.84 3.01 -1.26 -5.09 117.46 107.00 2xfj n PHE 426 Ca 0.15 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.50 2xfj n PHE 426 Cb 0.25 -0.37 -0.10 0.00 -0.01 0.00 0.00 39.48 39.24 2xfj n PHE 426 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2xfj s ARG 427 N -2.19 0.73 -0.00 -1.08 0.52 -1.25 -5.16 118.95 110.51 2xfj s ARG 427 Ca -0.07 -1.17 -0.03 0.00 -0.52 0.00 0.00 55.73 53.95 2xfj s ARG 427 Cb 0.03 -0.20 -0.00 0.00 0.52 0.00 0.00 34.95 35.30 2xfj s ARG 427 CO 0.28 -0.01 0.05 0.99 0.02 0.00 0.00 175.30 176.63 2xfj s THR 428 N -3.02 0.06 0.59 0.02 2.01 -1.26 -1.59 115.64 112.44 2xfj s THR 428 Ca 0.05 -0.46 -0.20 0.00 0.31 0.00 0.00 61.69 61.39 2xfj s THR 428 Cb 0.01 -0.23 -0.03 0.00 0.01 0.00 0.00 72.50 72.26 2xfj s THR 428 CO -0.04 -0.25 1.35 0.00 -0.69 0.00 0.00 174.62 174.99 2xfj s ALA 429 N -0.78 2.66 0.04 7.40 0.00 -0.61 -4.95 121.76 125.51 2xfj s ALA 429 Ca -0.09 1.31 -0.14 0.00 0.00 0.00 0.00 51.96 53.05 2xfj s ALA 429 Cb -0.05 -3.57 0.02 0.00 0.00 0.00 0.00 23.12 19.51 2xfj s ALA 429 CO 0.00 -1.49 0.30 0.00 0.00 0.00 0.00 175.76 174.57 2xfj s ALA 430 N -1.32 -0.68 -0.15 0.00 0.00 -1.20 -4.93 121.76 113.48 2xfj s ALA 430 Ca 0.76 0.04 -0.00 0.00 0.00 0.00 0.00 51.96 52.75 2xfj s ALA 430 Cb -0.40 0.28 0.04 0.00 0.00 0.00 0.00 23.12 23.04 2xfj s ALA 430 CO 0.46 -0.39 -0.07 0.08 0.00 0.00 0.00 175.76 175.84 2xfj s VAL 431 N -2.38 1.16 0.01 0.00 1.01 -1.26 -0.94 120.40 118.00 2xfj s VAL 431 Ca -0.06 -0.56 -0.11 0.00 0.00 0.00 0.00 61.98 61.24 2xfj s VAL 431 Cb -0.01 -1.27 0.01 0.00 0.00 0.00 0.00 36.38 35.11 2xfj s VAL 431 CO -0.02 0.23 0.23 -1.83 0.00 0.00 0.00 175.10 173.70 2xfj s GLU 432 N 1.62 0.63 0.02 2.72 -1.05 -0.32 -4.89 118.70 117.43 2xfj s GLU 432 Ca 0.02 -0.38 -0.10 0.00 -0.15 0.00 0.00 54.97 54.37 2xfj s GLU 432 Cb -0.14 0.27 0.03 0.00 -0.44 0.00 0.00 34.13 33.85 2xfj s GLU 432 CO -0.08 -0.17 0.44 0.41 0.95 0.00 0.00 175.26 176.81 2xfj n GLY 433 N 1.15 0.66 3.88 -3.83 0.00 -1.26 -0.47 105.19 105.31 2xfj n GLY 433 Ca -0.21 -0.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.57 2xfj n GLY 433 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2xfj s PRO 434 N -2.01 3.73 0.11 1.61 0.04 -1.26 -5.08 135.00 132.15 2xfj s PRO 434 Ca 0.10 0.33 0.10 0.00 0.04 0.00 0.00 61.00 61.57 2xfj s PRO 434 Cb -0.01 -2.47 -0.04 0.00 0.04 0.00 0.00 34.50 32.03 2xfj s PRO 434 CO 0.00 0.04 -0.22 -0.06 0.04 0.00 0.00 177.00 176.80 2xfj s PHE 435 N -2.29 2.43 -0.03 0.56 0.40 -0.22 -4.96 117.98 113.87 2xfj s PHE 435 Ca 0.49 -0.32 0.07 0.00 -0.60 0.00 0.00 56.93 56.57 2xfj s PHE 435 Cb -0.10 -1.32 -0.02 0.00 0.51 0.00 0.00 43.02 42.09 2xfj s PHE 435 CO 0.31 0.34 -0.24 0.08 0.70 0.00 0.00 175.22 176.41 2xfj s VAL 436 N -1.07 2.24 -0.08 -0.44 1.01 -1.26 -0.86 120.40 119.95 2xfj s VAL 436 Ca 0.16 -1.03 -0.00 0.00 0.00 0.00 0.00 61.98 61.10 2xfj s VAL 436 Cb -0.10 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.45 2xfj s VAL 436 CO 0.07 0.58 -0.04 -0.89 0.00 0.00 0.00 175.10 174.83 2xfj s THR 437 N -0.57 3.97 0.14 3.92 2.01 -0.75 -5.01 115.64 119.35 2xfj s THR 437 Ca 0.09 -0.38 -0.10 0.00 0.31 0.00 0.00 61.69 61.61 2xfj s THR 437 Cb -0.11 -2.65 -0.10 0.00 0.01 0.00 0.00 72.50 69.66 2xfj s THR 437 CO -0.00 0.60 1.41 0.17 -0.69 0.00 0.00 174.62 176.11 2xfj h LEU 438 N 5.22 0.90 -9.24 4.42 -0.00 -2.01 -3.45 115.31 111.15 2xfj h LEU 438 Ca -0.50 -0.50 -0.55 0.00 -0.00 0.00 0.00 57.88 56.33 2xfj h LEU 438 Cb 1.18 -0.26 0.01 0.00 -0.00 0.00 0.00 40.66 41.59 2xfj h LEU 438 CO 0.53 1.29 1.29 -0.62 -0.00 0.00 0.00 178.44 180.93 2xfj s ASP 439 N -6.98 6.20 0.00 0.17 3.68 -1.26 -4.89 116.67 113.59 2xfj s ASP 439 Ca -0.10 2.41 0.21 0.00 2.13 0.00 0.00 52.55 57.20 2xfj s ASP 439 Cb 0.10 -2.53 0.90 0.00 -1.45 0.00 0.00 42.92 39.95 2xfj s ASP 439 CO 0.88 -1.29 1.62 0.23 0.13 0.00 0.00 175.17 176.75 2xfj n MET 440 N 7.84 1.47 -1.93 4.34 2.81 -1.26 -4.94 117.12 125.44 2xfj n MET 440 Ca 0.22 -0.70 -0.41 0.00 -1.81 0.00 0.00 57.70 55.00 2xfj n MET 440 Cb 0.42 -1.36 -0.01 0.00 -0.71 0.00 0.00 33.22 31.56 2xfj n MET 440 CO 0.00 0.00 0.00 -2.00 1.51 0.00 0.00 175.97 175.48 2xfj s GLU 441 N -1.87 4.21 -0.03 0.03 2.12 -1.26 -4.97 118.70 116.93 2xfj s GLU 441 Ca 0.31 2.42 -0.30 0.00 0.36 0.00 0.00 54.97 57.77 2xfj s GLU 441 Cb 0.16 -3.01 -0.03 0.00 0.26 0.00 0.00 34.13 31.51 2xfj s GLU 441 CO 0.25 -0.39 1.04 0.34 -0.54 0.00 0.00 175.26 175.96 2xfj s ASP 442 N -0.27 7.26 0.00 -1.70 2.15 -1.26 -4.94 116.67 117.91 2xfj s ASP 442 Ca 0.51 1.69 0.27 0.00 0.43 0.00 0.00 52.55 55.46 2xfj s ASP 442 Cb -0.44 -2.57 0.94 0.00 -0.30 0.00 0.00 42.92 40.56 2xfj s ASP 442 CO 0.59 -0.38 1.68 0.00 -0.17 0.00 0.00 175.17 176.89 2xfj s GLY 444 N -2.57 2.87 -0.11 0.00 0.00 -1.26 -3.89 107.32 102.35 2xfj s GLY 444 Ca 0.24 1.37 -0.25 0.00 0.00 0.00 0.00 44.72 46.08 2xfj s GLY 444 CO 0.52 2.08 0.76 -1.82 0.00 0.00 0.00 173.10 174.64 2xfj h TYR 445 N 3.54 -0.02 -3.77 1.90 3.20 -1.83 -3.44 116.97 116.56 2xfj h TYR 445 Ca -0.49 -0.00 -0.49 0.00 3.14 0.00 0.00 58.73 60.89 2xfj h TYR 445 Cb 1.23 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.50 2xfj h TYR 445 CO 0.56 0.76 0.39 -0.80 -1.64 0.00 0.00 178.16 177.43 2xfj s ASN 446 N -6.02 7.53 0.00 -2.11 0.01 -1.26 -5.09 114.94 108.00 2xfj s ASN 446 Ca -0.16 2.05 0.00 0.00 -0.71 0.00 0.00 52.86 54.04 2xfj s ASN 446 Cb -0.02 -2.62 0.00 0.00 0.41 0.00 0.00 41.25 39.03 2xfj s ASN 446 CO 0.60 0.07 0.00 0.00 -1.51 0.00 0.00 177.10 176.25