#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fnr s SER 78 N 0.00 6.57 0.31 -1.43 0.15 -1.26 -4.90 113.70 113.14 3fnr s SER 78 Ca 0.00 0.29 0.05 0.00 0.70 0.00 0.00 55.95 56.99 3fnr s SER 78 Cb 0.00 -2.50 0.52 0.00 -1.71 0.00 0.00 66.02 62.33 3fnr s SER 78 CO 0.00 -1.14 1.78 0.11 1.20 0.00 0.00 173.24 175.20 3fnr h LYS 79 N 9.13 0.41 -0.46 5.44 1.57 -1.97 -1.95 116.57 128.73 3fnr h LYS 79 Ca -0.24 -0.13 0.01 0.00 -1.87 0.00 0.00 60.65 58.42 3fnr h LYS 79 Cb 1.07 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 33.32 3fnr h LYS 79 CO 1.07 0.60 0.30 1.15 -0.57 0.00 0.00 179.45 182.00 3fnr h THR 80 N 0.37 1.09 0.20 -0.16 2.02 -1.90 0.61 112.91 115.14 3fnr h THR 80 Ca 0.06 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 3fnr h THR 80 Cb 0.57 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 3fnr h THR 80 CO 0.04 0.11 -0.09 0.15 0.37 0.00 0.00 175.52 176.09 3fnr h PHE 81 N 0.60 -0.25 -0.82 3.16 3.57 -1.93 -2.48 116.94 118.80 3fnr h PHE 81 Ca 0.18 -0.01 0.09 0.00 3.53 0.00 0.00 57.97 61.76 3fnr h PHE 81 Cb -0.04 0.08 -0.06 0.00 2.79 0.00 0.00 35.95 38.72 3fnr h PHE 81 CO -0.05 0.12 0.53 -0.07 -2.23 0.00 0.00 178.31 176.61 3fnr h LEU 82 N -0.67 0.71 -0.80 0.59 3.38 -1.35 -1.31 115.31 115.86 3fnr h LEU 82 Ca -0.03 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 3fnr h LEU 82 Cb 0.48 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 3fnr h LEU 82 CO 0.04 0.42 0.30 -1.13 0.09 0.00 0.00 178.44 178.17 3fnr h ASN 83 N 0.79 1.11 -0.53 -0.43 -1.24 -0.82 0.15 115.58 114.59 3fnr h ASN 83 Ca 0.38 -0.18 -0.02 0.00 0.71 0.00 0.00 56.30 57.19 3fnr h ASN 83 Cb 0.41 -0.29 -0.02 0.00 0.73 0.00 0.00 38.32 39.15 3fnr h ASN 83 CO -0.15 0.99 0.26 -0.33 -1.29 0.00 0.00 177.43 176.91 3fnr h GLU 84 N 1.16 0.76 -0.94 6.67 4.39 -0.79 0.12 114.58 125.95 3fnr h GLU 84 Ca 0.26 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.85 3fnr h GLU 84 Cb 0.24 -0.14 -0.05 0.00 -0.10 0.00 0.00 28.75 28.70 3fnr h GLU 84 CO -0.02 0.62 0.56 -0.07 -1.16 0.00 0.00 179.01 178.94 3fnr h LEU 85 N 0.71 1.14 -0.55 1.33 3.38 -1.08 -1.41 115.31 118.82 3fnr h LEU 85 Ca 0.18 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.06 3fnr h LEU 85 Cb 0.11 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3fnr h LEU 85 CO -0.02 0.88 0.29 0.00 0.09 0.00 0.00 178.44 179.67 3fnr h ALA 86 N 1.31 0.70 -0.86 1.53 0.00 -0.19 -0.90 119.26 120.86 3fnr h ALA 86 Ca 0.34 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 3fnr h ALA 86 Cb -0.04 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.49 3fnr h ALA 86 CO -0.06 0.24 0.45 -0.91 0.00 0.00 0.00 179.25 178.97 3fnr h ASN 87 N 0.74 1.09 -0.43 0.00 2.35 -0.39 -0.53 115.58 118.40 3fnr h ASN 87 Ca 0.19 -0.11 -0.10 0.00 -0.55 0.00 0.00 56.30 55.73 3fnr h ASN 87 Cb 0.07 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 3fnr h ASN 87 CO -0.03 0.89 -0.13 1.56 -1.65 0.00 0.00 177.43 178.07 3fnr h GLN 88 N 1.21 0.86 -0.46 0.81 4.20 -0.99 -1.36 115.11 119.38 3fnr h GLN 88 Ca 0.30 -0.34 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 3fnr h GLN 88 Cb 0.06 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.78 3fnr h GLN 88 CO -0.04 0.98 0.20 0.00 -0.67 0.00 0.00 178.83 179.29 3fnr h ALA 89 N 0.85 0.60 0.00 3.87 0.00 -0.96 -3.08 119.26 120.54 3fnr h ALA 89 Ca 0.11 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 3fnr h ALA 89 Cb 0.68 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3fnr h ALA 89 CO 0.05 0.19 -0.45 -0.07 0.00 0.00 0.00 179.25 178.97 3fnr h LEU 90 N 0.61 0.00 -0.41 0.00 3.38 -1.03 -3.00 115.31 114.85 3fnr h LEU 90 Ca 0.16 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.94 3fnr h LEU 90 Cb 0.16 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3fnr h LEU 90 CO -0.02 0.35 -0.68 0.74 0.09 0.00 0.00 178.44 178.93 3fnr h THR 91 N 0.00 1.35 -2.44 0.22 2.02 -1.27 -3.36 112.91 109.42 3fnr h THR 91 Ca -0.01 -2.02 -0.60 0.00 0.77 0.00 0.00 66.41 64.55 3fnr h THR 91 Cb 1.28 2.00 -0.41 0.00 -1.74 0.00 0.00 68.15 69.28 3fnr h THR 91 CO 0.04 0.62 -0.75 0.59 0.37 0.00 0.00 175.52 176.39 3fnr n ASN 92 N -3.88 2.19 0.03 4.18 3.02 -1.17 -4.98 115.26 114.64 3fnr n ASN 92 Ca -0.04 -3.06 0.02 0.00 -0.03 0.00 0.00 54.58 51.46 3fnr n ASN 92 Cb 0.68 -0.67 0.37 0.00 -0.61 0.00 0.00 39.78 39.55 3fnr n ASN 92 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3fnr h PRO 93 N 4.72 0.46 0.00 3.52 0.13 -1.69 -1.83 132.00 137.32 3fnr h PRO 93 Ca 0.17 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 3fnr h PRO 93 Cb 0.77 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.82 3fnr h PRO 93 CO 0.66 0.43 0.00 -0.91 -0.23 0.00 0.00 178.00 177.95 3fnr h ASN 94 N 0.45 0.00 -0.02 1.44 -0.26 -1.94 -2.89 115.58 112.36 3fnr h ASN 94 Ca 0.11 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.85 3fnr h ASN 94 Cb 0.18 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.44 3fnr h ASN 94 CO -0.00 0.00 -0.11 0.47 -1.06 0.00 0.00 177.43 176.72 3fnr n ASP 95 N -2.92 2.64 -4.68 5.81 10.43 -0.69 -4.88 116.55 122.26 3fnr n ASP 95 Ca 0.00 -1.83 -0.42 0.00 2.57 0.00 0.00 54.79 55.11 3fnr n ASP 95 Cb 0.26 0.11 -0.03 0.00 1.84 0.00 0.00 41.12 43.30 3fnr n ASP 95 CO 0.00 0.00 0.00 0.12 -1.07 0.00 0.00 177.20 176.25 3fnr s PHE 96 N -2.12 1.83 0.00 1.24 5.36 -1.10 -2.04 117.98 121.16 3fnr s PHE 96 Ca 0.26 -0.16 0.00 0.00 -0.96 0.00 0.00 56.93 56.07 3fnr s PHE 96 Cb 0.20 -4.19 0.00 0.00 -0.34 0.00 0.00 43.02 38.69 3fnr s PHE 96 CO 0.37 -5.05 0.00 0.25 -1.46 0.00 0.00 175.22 169.33 3fnr n THR 97 N 5.06 0.00 -1.99 0.12 -2.24 -1.26 -5.01 114.28 108.96 3fnr n THR 97 Ca 0.18 0.00 -0.41 0.00 -2.27 0.00 0.00 64.05 61.55 3fnr n THR 97 Cb 0.39 -0.18 -0.02 0.00 -2.10 0.00 0.00 70.33 68.42 3fnr n THR 97 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3fnr s LYS 98 N -0.36 4.25 0.36 -0.78 1.02 -0.86 -4.80 119.74 118.56 3fnr s LYS 98 Ca 0.00 2.34 -0.03 0.00 0.02 0.00 0.00 55.97 58.30 3fnr s LYS 98 Cb 0.00 -3.07 -0.04 0.00 -0.52 0.00 0.00 37.83 34.19 3fnr s LYS 98 CO 0.00 -0.40 0.62 0.20 -0.92 0.00 0.00 175.35 174.85 3fnr s GLY 99 N 0.11 1.60 0.81 -3.33 0.00 -0.82 -4.99 107.32 100.70 3fnr s GLY 99 Ca 0.56 -0.65 -0.11 0.00 0.00 0.00 0.00 44.72 44.53 3fnr s GLY 99 CO 0.48 -0.54 1.10 -0.54 0.00 0.00 0.00 173.10 173.61 3fnr s GLU 100 N -4.10 1.98 0.01 2.90 2.02 -1.26 -4.05 118.70 116.20 3fnr s GLU 100 Ca 0.44 1.19 -0.36 0.00 0.02 0.00 0.00 54.97 56.25 3fnr s GLU 100 Cb -0.10 -1.86 -0.15 0.00 0.10 0.00 0.00 34.13 32.11 3fnr s GLU 100 CO 0.36 -1.85 1.54 1.17 0.02 0.00 0.00 175.26 176.50 3fnr n LYS 101 N -3.66 1.50 -3.22 1.61 0.00 -1.26 -4.36 118.16 108.77 3fnr n LYS 101 Ca 0.09 0.55 -0.18 0.00 0.00 0.00 0.00 58.31 58.77 3fnr n LYS 101 Cb 0.53 -2.25 0.00 0.00 0.00 0.00 0.00 35.03 33.31 3fnr n LYS 101 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 3fnr s LYS 102 N 1.62 2.96 -0.15 1.64 -0.14 -0.04 -5.02 119.74 120.62 3fnr s LYS 102 Ca 0.87 -1.13 0.03 0.00 -1.36 0.00 0.00 55.97 54.38 3fnr s LYS 102 Cb -0.88 -2.79 -0.23 0.00 -1.68 0.00 0.00 37.83 32.25 3fnr s LYS 102 CO 0.49 -0.12 0.22 1.04 -0.76 0.00 0.00 175.35 176.23 3fnr n GLN 103 N -1.76 0.70 -2.56 1.68 1.13 -1.26 -4.75 117.38 110.56 3fnr n GLN 103 Ca 0.04 0.20 -0.42 0.00 -1.94 0.00 0.00 57.00 54.88 3fnr n GLN 103 Cb 0.59 -1.65 -0.03 0.00 0.11 0.00 0.00 30.24 29.26 3fnr n GLN 103 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 3fnr s GLU 104 N -2.55 4.50 0.18 -1.09 2.12 -1.26 -4.97 118.70 115.64 3fnr s GLU 104 Ca -0.21 1.61 0.10 0.00 0.36 0.00 0.00 54.97 56.83 3fnr s GLU 104 Cb 0.07 -3.39 -0.04 0.00 0.26 0.00 0.00 34.13 31.03 3fnr s GLU 104 CO 0.74 -0.14 -0.14 -1.54 -0.54 0.00 0.00 175.26 173.65 3fnr s SER 105 N 0.96 4.03 0.04 -1.70 1.04 -1.26 -4.09 113.70 112.71 3fnr s SER 105 Ca 0.55 -0.65 0.02 0.00 0.48 0.00 0.00 55.95 56.35 3fnr s SER 105 Cb -0.26 -0.59 -0.02 0.00 0.10 0.00 0.00 66.02 65.25 3fnr s SER 105 CO 0.29 0.11 -0.08 -0.36 0.98 0.00 0.00 173.24 174.18 3fnr s PHE 106 N -1.68 0.70 -0.25 5.02 0.08 -0.31 -1.25 117.98 120.30 3fnr s PHE 106 Ca 0.24 -0.42 0.02 0.00 0.12 0.00 0.00 56.93 56.88 3fnr s PHE 106 Cb -0.09 -0.42 0.05 0.00 -0.57 0.00 0.00 43.02 41.99 3fnr s PHE 106 CO 0.14 -0.06 -0.11 -1.17 -0.10 0.00 0.00 175.22 173.92 3fnr s LEU 107 N -1.32 3.18 -0.25 -0.37 2.96 -0.16 -1.22 118.68 121.50 3fnr s LEU 107 Ca -0.07 -1.17 -0.11 0.00 -0.22 0.00 0.00 54.13 52.56 3fnr s LEU 107 Cb -0.09 -1.56 -0.05 0.00 0.50 0.00 0.00 46.19 44.99 3fnr s LEU 107 CO 0.00 -0.15 0.17 -0.22 -1.32 0.00 0.00 176.35 174.84 3fnr s LEU 108 N 1.18 4.09 -0.21 -0.68 0.20 0.84 -0.71 118.68 123.40 3fnr s LEU 108 Ca -0.05 0.09 -0.03 0.00 0.69 0.00 0.00 54.13 54.83 3fnr s LEU 108 Cb -0.18 -2.12 -0.01 0.00 -0.43 0.00 0.00 46.19 43.45 3fnr s LEU 108 CO -0.06 0.04 -0.06 -0.70 -0.29 0.00 0.00 176.35 175.28 3fnr s GLU 109 N 1.22 3.38 0.22 1.98 2.12 -0.46 -1.00 118.70 126.16 3fnr s GLU 109 Ca 0.08 -0.63 -0.08 0.00 0.36 0.00 0.00 54.97 54.69 3fnr s GLU 109 Cb -0.14 -2.95 -0.02 0.00 0.26 0.00 0.00 34.13 31.28 3fnr s GLU 109 CO 0.06 -0.14 0.32 1.52 -0.54 0.00 0.00 175.26 176.49 3fnr s TYR 110 N 1.31 0.67 0.00 5.30 1.13 -1.02 -3.22 117.35 121.52 3fnr s TYR 110 Ca 0.04 -0.98 0.00 0.00 -1.41 0.00 0.00 57.07 54.72 3fnr s TYR 110 Cb -0.14 -0.12 0.00 0.00 -1.10 0.00 0.00 41.96 40.59 3fnr s TYR 110 CO -0.03 -0.83 0.00 0.28 -2.51 0.00 0.00 175.55 172.47 3fnr n VAL 111 N -0.32 0.00 -4.13 -3.49 0.31 -1.26 -4.57 118.33 104.87 3fnr n VAL 111 Ca -0.01 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.01 3fnr n VAL 111 Cb 0.64 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.53 3fnr n VAL 111 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3fnr n SER 112 N 2.90 -1.15 -4.82 4.52 7.64 -1.26 -4.93 113.62 116.52 3fnr n SER 112 Ca 0.00 -1.06 -0.33 0.00 1.01 0.00 0.00 58.87 58.48 3fnr n SER 112 Cb 0.00 -2.65 -0.07 0.00 -1.01 0.00 0.00 64.21 60.48 3fnr n SER 112 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3fnr s ALA 113 N -3.78 3.03 0.26 -0.43 0.00 -1.26 -4.83 121.76 114.74 3fnr s ALA 113 Ca 0.28 0.43 -0.31 0.00 0.00 0.00 0.00 51.96 52.36 3fnr s ALA 113 Cb -0.16 -3.16 -0.12 0.00 0.00 0.00 0.00 23.12 19.68 3fnr s ALA 113 CO 0.93 0.08 1.53 0.09 0.00 0.00 0.00 175.76 178.38 3fnr n ASN 114 N -0.65 3.40 -2.17 0.00 3.02 -1.26 -4.69 115.26 112.91 3fnr n ASN 114 Ca 0.07 1.14 -0.15 0.00 -0.03 0.00 0.00 54.58 55.61 3fnr n ASN 114 Cb 0.54 -1.52 -0.15 0.00 -0.61 0.00 0.00 39.78 38.04 3fnr n ASN 114 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 3fnr n PRO 115 N 2.24 2.15 -0.01 3.52 -0.04 -1.26 -4.04 135.00 137.55 3fnr n PRO 115 Ca 0.10 -1.12 0.01 0.00 -0.04 0.00 0.00 63.50 62.46 3fnr n PRO 115 Cb 0.34 -2.08 0.01 0.00 -0.04 0.00 0.00 33.50 31.73 3fnr n PRO 115 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3fnr n THR 116 N 2.65 0.99 0.00 0.52 -2.24 -1.26 -4.46 114.28 110.48 3fnr n THR 116 Ca 0.46 -1.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.21 3fnr n THR 116 Cb 0.81 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 69.51 3fnr n THR 116 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3fnr n GLY 117 N -0.55 0.34 3.77 3.38 0.00 -1.26 -5.00 105.19 105.88 3fnr n GLY 117 Ca 0.02 -1.00 -0.32 0.00 0.00 0.00 0.00 46.02 44.72 3fnr n GLY 117 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3fnr s PRO 118 N -2.00 2.49 0.23 1.61 0.04 -1.26 -4.74 135.00 131.37 3fnr s PRO 118 Ca 0.00 1.23 -0.31 0.00 0.04 0.00 0.00 61.00 61.97 3fnr s PRO 118 Cb 0.00 -1.92 -0.11 0.00 0.04 0.00 0.00 34.50 32.51 3fnr s PRO 118 CO 0.00 -1.47 1.58 -0.51 0.04 0.00 0.00 177.00 176.64 3fnr s LEU 119 N -5.53 4.37 0.73 -3.56 1.43 -1.26 -4.95 118.68 109.91 3fnr s LEU 119 Ca 0.63 2.78 -0.12 0.00 -1.03 0.00 0.00 54.13 56.39 3fnr s LEU 119 Cb -0.18 -3.61 0.03 0.00 0.03 0.00 0.00 46.19 42.46 3fnr s LEU 119 CO 0.51 -0.86 1.11 -1.00 0.23 0.00 0.00 176.35 176.34 3fnr s HIS 120 N 0.58 3.20 0.36 0.29 3.76 -1.26 -1.08 115.29 121.14 3fnr s HIS 120 Ca 0.67 1.02 0.16 0.00 -0.15 0.00 0.00 55.06 56.77 3fnr s HIS 120 Cb -0.46 -3.13 0.89 0.00 1.11 0.00 0.00 32.58 30.99 3fnr s HIS 120 CO 0.39 -1.35 1.88 0.97 -0.85 0.00 0.00 174.74 175.79 3fnr h ILE 121 N -0.77 1.07 0.00 0.60 6.09 -1.33 -2.74 117.51 120.42 3fnr h ILE 121 Ca -0.45 -1.08 0.00 0.00 -1.37 0.00 0.00 64.86 61.96 3fnr h ILE 121 Cb 1.27 1.61 0.00 0.00 0.47 0.00 0.00 36.82 40.16 3fnr h ILE 121 CO 0.63 0.29 0.00 1.23 -3.07 0.00 0.00 178.15 177.24 3fnr h GLY 122 N 1.11 0.00 1.64 8.18 0.00 -1.94 -0.72 103.07 111.34 3fnr h GLY 122 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3fnr h GLY 122 CO 0.04 0.00 -0.23 1.42 0.00 0.00 0.00 176.54 177.77 3fnr n HIS 123 N -2.33 0.45 -0.10 5.60 8.25 -1.03 -4.46 115.22 121.59 3fnr n HIS 123 Ca -0.00 0.13 -0.11 0.00 -0.26 0.00 0.00 57.72 57.48 3fnr n HIS 123 Cb 0.12 -0.65 -0.04 0.00 1.12 0.00 0.00 29.99 30.55 3fnr n HIS 123 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3fnr h ALA 124 N 2.72 0.40 -0.13 -1.41 0.00 -1.27 -1.52 119.26 118.05 3fnr h ALA 124 Ca 0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 3fnr h ALA 124 Cb 0.64 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3fnr h ALA 124 CO 0.00 0.20 0.08 -0.09 0.00 0.00 0.00 179.25 179.44 3fnr h ARG 125 N 0.32 0.18 -0.26 0.00 2.43 -1.78 0.16 114.38 115.43 3fnr h ARG 125 Ca 0.08 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.27 3fnr h ARG 125 Cb 0.53 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 3fnr h ARG 125 CO 0.03 0.16 0.05 0.78 -1.51 0.00 0.00 179.97 179.48 3fnr h GLY 126 N 0.15 0.29 0.97 2.80 0.00 -1.82 0.71 103.07 106.17 3fnr h GLY 126 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.37 3fnr h GLY 126 CO -0.01 -0.01 0.04 0.00 0.00 0.00 0.00 176.54 176.56 3fnr h ALA 127 N 1.19 0.11 -0.28 3.60 0.00 -1.00 -0.25 119.26 122.63 3fnr h ALA 127 Ca 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3fnr h ALA 127 Cb 0.12 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3fnr h ALA 127 CO -0.16 -0.41 -0.04 0.28 0.00 0.00 0.00 179.25 178.92 3fnr h VAL 128 N 0.10 1.27 -0.34 0.00 2.07 -0.53 -1.95 116.25 116.87 3fnr h VAL 128 Ca 0.04 -1.02 0.03 0.00 0.82 0.00 0.00 66.70 66.56 3fnr h VAL 128 Cb 0.00 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 3fnr h VAL 128 CO -0.02 0.32 0.14 0.15 0.02 0.00 0.00 177.57 178.18 3fnr h PHE 129 N 0.28 0.26 -0.38 1.57 3.57 -0.81 -2.08 116.94 119.35 3fnr h PHE 129 Ca 0.07 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.49 3fnr h PHE 129 Cb 0.49 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 3fnr h PHE 129 CO 0.04 0.12 -0.19 0.78 -2.23 0.00 0.00 178.31 176.84 3fnr h GLY 130 N 0.30 0.77 1.25 2.40 0.00 -0.87 0.03 103.07 106.95 3fnr h GLY 130 Ca 0.15 -0.62 -0.21 0.00 0.00 0.00 0.00 47.33 46.64 3fnr h GLY 130 CO -0.13 0.57 -0.73 -1.80 0.00 0.00 0.00 176.54 174.45 3fnr h ASP 131 N 0.63 0.87 -0.15 0.19 1.82 -1.29 -0.45 116.42 118.05 3fnr h ASP 131 Ca 0.10 -0.55 -0.02 0.00 -0.39 0.00 0.00 57.03 56.17 3fnr h ASP 131 Cb 0.67 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 40.41 3fnr h ASP 131 CO 0.05 1.34 0.03 0.74 -1.61 0.00 0.00 179.24 179.79 3fnr h THR 132 N 0.52 1.21 -0.57 2.25 2.02 -1.23 0.00 112.91 117.11 3fnr h THR 132 Ca -0.04 -0.68 0.12 0.00 0.77 0.00 0.00 66.41 66.58 3fnr h THR 132 Cb 1.35 1.38 -0.10 0.00 -1.74 0.00 0.00 68.15 69.04 3fnr h THR 132 CO 0.15 0.20 -0.03 0.25 0.37 0.00 0.00 175.52 176.47 3fnr h LEU 133 N 0.03 -0.30 0.19 2.58 6.46 -0.94 0.72 115.31 124.06 3fnr h LEU 133 Ca 0.05 0.15 -0.00 0.00 -0.12 0.00 0.00 57.88 57.95 3fnr h LEU 133 Cb 0.29 0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.47 3fnr h LEU 133 CO 0.00 -0.12 -0.15 0.74 -0.62 0.00 0.00 178.44 178.29 3fnr h THR 134 N 0.09 0.67 -1.01 1.05 2.02 -0.78 0.17 112.91 115.13 3fnr h THR 134 Ca 0.29 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.50 3fnr h THR 134 Cb 0.46 0.67 -0.06 0.00 -1.74 0.00 0.00 68.15 67.48 3fnr h THR 134 CO -0.50 0.00 0.66 0.03 0.37 0.00 0.00 175.52 176.08 3fnr h ARG 135 N -0.35 1.26 -0.03 6.66 3.08 -0.53 -1.00 114.38 123.47 3fnr h ARG 135 Ca -0.01 -0.08 -0.01 0.00 0.07 0.00 0.00 59.98 59.96 3fnr h ARG 135 Cb 0.32 -0.28 -0.00 0.00 0.08 0.00 0.00 29.97 30.08 3fnr h ARG 135 CO -0.02 0.84 -0.01 1.25 -1.07 0.00 0.00 179.97 180.96 3fnr h LEU 136 N 1.30 0.06 -0.61 3.04 5.85 -0.65 -1.62 115.31 122.69 3fnr h LEU 136 Ca 0.39 -0.42 0.10 0.00 0.84 0.00 0.00 57.88 58.78 3fnr h LEU 136 Cb -0.05 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 40.89 3fnr h LEU 136 CO -0.11 0.47 0.21 0.00 -0.34 0.00 0.00 178.44 178.67 3fnr h ALA 137 N 0.59 0.78 -0.53 1.25 0.00 -0.39 -1.32 119.26 119.64 3fnr h ALA 137 Ca 0.01 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 3fnr h ALA 137 Cb 0.45 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3fnr h ALA 137 CO 0.00 -0.21 0.17 0.00 0.00 0.00 0.00 179.25 179.22 3fnr h ARG 138 N 0.38 0.81 -0.84 0.00 -0.00 -1.15 -0.36 114.38 113.23 3fnr h ARG 138 Ca 0.31 -0.17 0.07 0.00 -0.50 0.00 0.00 59.98 59.69 3fnr h ARG 138 Cb 0.40 -0.12 -0.06 0.00 0.00 0.00 0.00 29.97 30.18 3fnr h ARG 138 CO -0.32 0.75 0.51 1.25 0.00 0.00 0.00 179.97 182.15 3fnr h HIS 139 N 0.72 0.94 -0.00 3.04 2.76 -0.79 -1.62 115.15 120.20 3fnr h HIS 139 Ca 0.17 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.37 3fnr h HIS 139 Cb 0.26 -0.30 0.00 0.00 1.55 0.00 0.00 27.41 28.93 3fnr h HIS 139 CO 0.01 0.45 -0.00 1.28 -1.30 0.00 0.00 177.93 178.37 3fnr n LEU 140 N -4.66 0.07 0.00 0.26 4.77 -0.54 -1.94 117.00 114.95 3fnr n LEU 140 Ca 0.13 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.16 3fnr n LEU 140 Cb 0.20 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3fnr n LEU 140 CO 0.30 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 3fnr n GLY 141 N 1.08 0.86 3.77 -0.72 0.00 -0.61 -3.94 105.19 105.64 3fnr n GLY 141 Ca 0.21 -0.05 -0.39 0.00 0.00 0.00 0.00 46.02 45.79 3fnr n GLY 141 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fnr s TYR 142 N -2.00 3.90 -0.15 1.61 1.51 -0.17 -0.86 117.35 121.18 3fnr s TYR 142 Ca 0.00 1.69 -0.29 0.00 -1.01 0.00 0.00 57.07 57.46 3fnr s TYR 142 Cb 0.00 -2.81 -0.02 0.00 -0.11 0.00 0.00 41.96 39.02 3fnr s TYR 142 CO 0.00 0.47 1.26 0.15 -1.11 0.00 0.00 175.55 176.33 3fnr s LYS 143 N -1.27 4.24 -0.21 -0.62 1.02 -1.26 -4.09 119.74 117.55 3fnr s LYS 143 Ca 0.38 1.67 -0.04 0.00 0.02 0.00 0.00 55.97 58.01 3fnr s LYS 143 Cb -0.23 -3.75 0.10 0.00 -0.52 0.00 0.00 37.83 33.43 3fnr s LYS 143 CO 0.27 -0.69 0.24 0.12 -0.92 0.00 0.00 175.35 174.37 3fnr s PHE 144 N 3.40 -0.34 0.06 3.18 5.36 -1.26 -1.16 117.98 127.22 3fnr s PHE 144 Ca 0.55 0.24 -0.00 0.00 -0.96 0.00 0.00 56.93 56.76 3fnr s PHE 144 Cb -0.22 -0.34 -0.04 0.00 -0.34 0.00 0.00 43.02 42.08 3fnr s PHE 144 CO 0.15 -0.64 0.20 -0.80 -1.46 0.00 0.00 175.22 172.68 3fnr s ASN 145 N 2.35 6.34 0.05 6.13 -0.87 -0.36 -4.96 114.94 123.62 3fnr s ASN 145 Ca 0.08 0.27 0.08 0.00 -1.57 0.00 0.00 52.86 51.72 3fnr s ASN 145 Cb -0.16 -1.95 -0.03 0.00 -0.02 0.00 0.00 41.25 39.10 3fnr s ASN 145 CO -0.14 0.18 -0.23 0.42 -2.57 0.00 0.00 177.10 174.76 3fnr s THR 146 N -1.49 1.82 -0.07 1.60 -4.23 -1.26 -0.11 115.64 111.90 3fnr s THR 146 Ca 0.34 -1.31 -0.11 0.00 -1.18 0.00 0.00 61.69 59.44 3fnr s THR 146 Cb -0.13 -1.59 0.02 0.00 1.34 0.00 0.00 72.50 72.15 3fnr s THR 146 CO 0.27 0.22 0.27 -0.70 -0.54 0.00 0.00 174.62 174.15 3fnr s GLU 147 N -1.30 0.45 -0.09 3.99 2.12 -0.17 -2.41 118.70 121.30 3fnr s GLU 147 Ca 0.09 0.12 0.03 0.00 0.36 0.00 0.00 54.97 55.57 3fnr s GLU 147 Cb -0.09 0.21 0.00 0.00 0.26 0.00 0.00 34.13 34.51 3fnr s GLU 147 CO 0.02 -0.09 -0.20 -0.47 -0.54 0.00 0.00 175.26 173.98 3fnr s TYR 148 N -0.48 2.20 -0.26 5.30 6.14 0.73 -2.44 117.35 128.53 3fnr s TYR 148 Ca -0.06 -0.87 -0.14 0.00 0.64 0.00 0.00 57.07 56.64 3fnr s TYR 148 Cb -0.04 -1.50 -0.04 0.00 0.42 0.00 0.00 41.96 40.81 3fnr s TYR 148 CO 0.02 -0.37 0.33 -0.47 0.64 0.00 0.00 175.55 175.69 3fnr s TYR 149 N 0.43 3.26 -0.41 4.97 5.04 -1.26 -0.60 117.35 128.79 3fnr s TYR 149 Ca -0.17 0.37 -0.18 0.00 -2.44 0.00 0.00 57.07 54.65 3fnr s TYR 149 Cb -0.17 -2.51 0.02 0.00 0.35 0.00 0.00 41.96 39.65 3fnr s TYR 149 CO 0.07 -0.16 0.48 0.08 -1.34 0.00 0.00 175.55 174.68 3fnr s VAL 150 N 1.83 5.04 -1.31 3.14 1.01 0.91 -4.50 120.40 126.51 3fnr s VAL 150 Ca 0.13 -0.14 -0.16 0.00 0.00 0.00 0.00 61.98 61.81 3fnr s VAL 150 Cb -0.15 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 32.19 3fnr s VAL 150 CO 0.09 -0.40 2.07 0.59 0.00 0.00 0.00 175.10 177.45 3fnr n ASN 151 N 5.73 3.85 -1.44 3.32 3.02 -1.26 -1.61 115.26 126.86 3fnr n ASN 151 Ca -0.06 -2.83 -0.08 0.00 -0.03 0.00 0.00 54.58 51.58 3fnr n ASN 151 Cb 0.48 -1.60 0.21 0.00 -0.61 0.00 0.00 39.78 38.25 3fnr n ASN 151 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 3fnr n ASP 152 N 7.17 3.00 -4.76 6.41 3.85 -1.26 -4.65 116.55 126.32 3fnr n ASP 152 Ca 0.51 -3.65 -0.38 0.00 -0.71 0.00 0.00 54.79 50.55 3fnr n ASP 152 Cb 0.41 -0.68 0.03 0.00 -1.35 0.00 0.00 41.12 39.52 3fnr n ASP 152 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3fnr s ALA 153 N -3.22 2.86 0.34 2.12 0.00 -1.26 -4.74 121.76 117.85 3fnr s ALA 153 Ca 0.48 1.22 0.07 0.00 0.00 0.00 0.00 51.96 53.73 3fnr s ALA 153 Cb 0.42 -3.51 0.75 0.00 0.00 0.00 0.00 23.12 20.78 3fnr s ALA 153 CO 0.04 -1.17 1.87 0.78 0.00 0.00 0.00 175.76 177.27 3fnr h GLY 154 N 1.61 1.29 2.00 0.00 0.00 -1.97 -0.25 103.07 105.76 3fnr h GLY 154 Ca -0.50 -0.33 -0.05 0.00 0.00 0.00 0.00 47.33 46.45 3fnr h GLY 154 CO 0.58 0.11 -0.23 3.43 0.00 0.00 0.00 176.54 180.43 3fnr h ASN 155 N 0.77 0.00 0.17 0.19 2.35 -1.99 -1.79 115.58 115.28 3fnr h ASN 155 Ca 0.45 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.90 3fnr h ASN 155 Cb 0.64 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.03 3fnr h ASN 155 CO -0.21 0.23 -1.48 1.56 -1.65 0.00 0.00 177.43 175.88 3fnr h GLN 156 N 0.00 0.36 -0.10 0.81 1.08 -1.43 -3.38 115.11 112.45 3fnr h GLN 156 Ca -0.00 -0.62 0.00 0.00 -1.45 0.00 0.00 58.65 56.58 3fnr h GLN 156 Cb 0.73 0.23 0.00 0.00 -0.05 0.00 0.00 27.48 28.39 3fnr h GLN 156 CO 0.03 1.30 0.00 0.44 -0.95 0.00 0.00 178.83 179.65 3fnr n ILE 157 N -3.79 0.11 -0.06 2.54 -5.35 -0.43 -4.43 119.36 107.95 3fnr n ILE 157 Ca -0.22 -0.43 -0.08 0.00 -0.27 0.00 0.00 62.75 61.75 3fnr n ILE 157 Cb 0.99 0.89 -0.02 0.00 -1.74 0.00 0.00 39.64 39.77 3fnr n ILE 157 CO 0.00 0.00 0.00 0.22 -1.76 0.00 0.00 176.55 175.01 3fnr h TYR 158 N 3.45 0.00 -0.68 4.28 3.20 -1.50 -2.45 116.97 123.26 3fnr h TYR 158 Ca 0.00 0.02 0.07 0.00 3.14 0.00 0.00 58.73 61.96 3fnr h TYR 158 Cb 0.74 0.03 -0.04 0.00 1.54 0.00 0.00 36.73 39.00 3fnr h TYR 158 CO 0.05 -0.03 0.45 1.25 -1.64 0.00 0.00 178.16 178.25 3fnr h LEU 159 N 0.08 0.58 -0.60 2.82 6.46 -1.87 0.74 115.31 123.53 3fnr h LEU 159 Ca 0.11 0.01 -0.04 0.00 -0.12 0.00 0.00 57.88 57.84 3fnr h LEU 159 Cb 0.14 -0.12 -0.03 0.00 -0.73 0.00 0.00 40.66 39.92 3fnr h LEU 159 CO -0.18 0.37 0.22 0.25 -0.62 0.00 0.00 178.44 178.48 3fnr h LEU 160 N 0.66 0.84 -0.72 2.25 5.85 -1.74 0.14 115.31 122.59 3fnr h LEU 160 Ca 0.30 -0.18 -0.08 0.00 0.84 0.00 0.00 57.88 58.75 3fnr h LEU 160 Cb 0.32 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 3fnr h LEU 160 CO -0.10 0.80 0.07 1.23 -0.34 0.00 0.00 178.44 180.10 3fnr h GLY 161 N 0.83 1.14 0.94 3.75 0.00 -0.94 -2.71 103.07 106.08 3fnr h GLY 161 Ca 0.20 -0.77 -0.01 0.00 0.00 0.00 0.00 47.33 46.75 3fnr h GLY 161 CO -0.01 0.71 0.14 -2.00 0.00 0.00 0.00 176.54 175.38 3fnr h LEU 162 N 0.98 0.36 -0.82 3.11 5.85 -0.65 -2.78 115.31 121.36 3fnr h LEU 162 Ca 0.19 -0.11 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 3fnr h LEU 162 Cb 0.46 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 3fnr h LEU 162 CO 0.02 0.36 0.03 0.28 -0.34 0.00 0.00 178.44 178.80 3fnr h SER 163 N 0.32 0.89 -0.34 1.25 0.02 -0.66 -1.93 113.55 113.09 3fnr h SER 163 Ca 0.10 -0.22 -0.05 0.00 -0.84 0.00 0.00 61.79 60.78 3fnr h SER 163 Cb 0.10 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.39 3fnr h SER 163 CO -0.01 0.93 0.03 0.40 -1.14 0.00 0.00 176.83 177.03 3fnr h ILE 164 N 0.86 1.25 -0.57 3.27 2.04 -1.49 -2.10 117.51 120.77 3fnr h ILE 164 Ca 0.17 -0.91 0.08 0.00 1.00 0.00 0.00 64.86 65.20 3fnr h ILE 164 Cb 0.46 1.17 -0.07 0.00 -0.74 0.00 0.00 36.82 37.64 3fnr h ILE 164 CO 0.02 0.30 0.21 0.25 0.00 0.00 0.00 178.15 178.93 3fnr h LEU 165 N 0.41 0.20 -0.70 1.44 5.85 -1.29 -0.75 115.31 120.47 3fnr h LEU 165 Ca 0.10 0.07 -0.10 0.00 0.84 0.00 0.00 57.88 58.79 3fnr h LEU 165 Cb 0.41 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.47 3fnr h LEU 165 CO 0.01 0.13 -0.09 -0.07 -0.34 0.00 0.00 178.44 178.08 3fnr h LEU 166 N 0.39 0.90 -0.16 2.25 4.07 -1.21 -1.44 115.31 120.12 3fnr h LEU 166 Ca 0.28 -0.28 -0.03 0.00 0.08 0.00 0.00 57.88 57.93 3fnr h LEU 166 Cb 0.33 -0.24 -0.00 0.00 1.08 0.00 0.00 40.66 41.82 3fnr h LEU 166 CO -0.28 1.02 -0.13 0.77 -1.08 0.00 0.00 178.44 178.73 3fnr h SER 167 N 0.82 0.00 -0.35 -0.43 4.64 -1.17 -2.11 113.55 114.96 3fnr h SER 167 Ca 0.14 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.39 3fnr h SER 167 Cb 0.62 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.70 3fnr h SER 167 CO 0.04 0.13 -0.05 0.58 -0.87 0.00 0.00 176.83 176.66 3fnr h VAL 168 N 0.00 1.27 -0.45 0.95 2.07 -0.86 -1.97 116.25 117.27 3fnr h VAL 168 Ca -0.00 -1.08 -0.06 0.00 0.82 0.00 0.00 66.70 66.37 3fnr h VAL 168 Cb 1.04 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 32.07 3fnr h VAL 168 CO 0.02 0.36 0.03 0.11 0.02 0.00 0.00 177.57 178.10 3fnr h LYS 169 N 0.44 0.71 0.00 1.57 1.57 -1.02 0.24 116.57 120.09 3fnr h LYS 169 Ca 0.09 -0.17 -0.38 0.00 -1.87 0.00 0.00 60.65 58.32 3fnr h LYS 169 Cb 0.54 -0.10 -0.07 0.00 0.08 0.00 0.00 32.23 32.68 3fnr h LYS 169 CO 0.03 0.71 -2.44 -1.91 -0.57 0.00 0.00 179.45 175.26 3fnr n GLU 170 N -4.25 0.66 0.05 3.15 2.13 -0.81 -1.00 120.64 120.57 3fnr n GLU 170 Ca 0.03 0.12 0.09 0.00 0.66 0.00 0.00 57.16 58.06 3fnr n GLU 170 Cb 0.26 -1.51 -0.07 0.00 0.27 0.00 0.00 31.44 30.39 3fnr n GLU 170 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 3fnr n SER 171 N -3.17 0.55 -0.05 4.31 3.41 -0.74 -3.26 113.62 114.67 3fnr n SER 171 Ca -0.43 0.22 -0.07 0.00 -0.26 0.00 0.00 58.87 58.33 3fnr n SER 171 Cb 1.01 0.92 -0.05 0.00 -0.26 0.00 0.00 64.21 65.84 3fnr n SER 171 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 3fnr n ILE 172 N -2.58 0.56 0.97 -1.33 5.41 -1.01 -4.72 119.36 116.67 3fnr n ILE 172 Ca -0.04 -0.22 0.10 0.00 1.00 0.00 0.00 62.75 63.59 3fnr n ILE 172 Cb 0.62 -0.84 -0.11 0.00 -0.71 0.00 0.00 39.64 38.60 3fnr n ILE 172 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 3fnr n LEU 173 N -2.77 0.96 -2.17 1.39 4.32 0.82 -5.01 117.00 114.54 3fnr n LEU 173 Ca -0.17 -0.47 -0.20 0.00 -0.02 0.00 0.00 56.01 55.15 3fnr n LEU 173 Cb 0.69 -0.01 -0.02 0.00 -1.62 0.00 0.00 43.42 42.45 3fnr n LEU 173 CO 0.10 0.24 -0.25 1.41 -1.22 0.00 0.00 177.39 177.67 3fnr n HIS 174 N -1.52 -0.78 -3.75 -1.77 8.25 -0.19 -4.89 115.22 110.56 3fnr n HIS 174 Ca 0.04 0.00 -0.26 0.00 -0.26 0.00 0.00 57.72 57.24 3fnr n HIS 174 Cb 0.34 -3.80 -0.03 0.00 1.12 0.00 0.00 29.99 27.62 3fnr n HIS 174 CO 0.00 0.00 0.00 -1.83 0.64 0.00 0.00 176.34 175.15 3fnr s GLU 175 N -4.77 3.49 -0.04 -0.41 1.03 -0.17 -4.97 118.70 112.87 3fnr s GLU 175 Ca 0.00 -0.45 -0.30 0.00 0.03 0.00 0.00 54.97 54.25 3fnr s GLU 175 Cb 0.00 -2.85 -0.04 0.00 -0.80 0.00 0.00 34.13 30.44 3fnr s GLU 175 CO 0.00 0.40 1.35 1.21 -1.33 0.00 0.00 175.26 176.88 3fnr s ASN 176 N -3.40 6.91 0.06 0.83 3.84 -1.26 -4.28 114.94 117.63 3fnr s ASN 176 Ca 0.37 1.99 0.07 0.00 0.21 0.00 0.00 52.86 55.50 3fnr s ASN 176 Cb -0.11 -2.56 -0.03 0.00 -0.55 0.00 0.00 41.25 38.01 3fnr s ASN 176 CO 0.30 -0.70 -0.19 0.68 -2.79 0.00 0.00 177.10 174.40 3fnr s VAL 177 N 2.58 1.51 0.09 -5.21 -7.23 -1.26 -5.09 120.40 105.79 3fnr s VAL 177 Ca 0.61 -1.22 -0.30 0.00 -1.81 0.00 0.00 61.98 59.26 3fnr s VAL 177 Cb -0.28 -1.34 -0.06 0.00 0.56 0.00 0.00 36.38 35.25 3fnr s VAL 177 CO 0.24 0.08 1.18 -1.61 -0.31 0.00 0.00 175.10 174.69 3fnr s GLU 178 N -1.34 4.46 -0.12 4.82 0.41 -1.26 -5.06 118.70 120.62 3fnr s GLU 178 Ca 0.05 1.77 0.01 0.00 -0.41 0.00 0.00 54.97 56.39 3fnr s GLU 178 Cb -0.09 -3.33 -0.02 0.00 -1.78 0.00 0.00 34.13 28.92 3fnr s GLU 178 CO 0.02 -0.20 -0.14 0.71 -0.49 0.00 0.00 175.26 175.16 3fnr s TYR 179 N 0.79 2.78 1.09 1.61 2.02 -1.26 -5.11 117.35 119.27 3fnr s TYR 179 Ca 0.57 -0.62 -0.17 0.00 -0.37 0.00 0.00 57.07 56.49 3fnr s TYR 179 Cb -0.30 -1.81 0.24 0.00 -0.40 0.00 0.00 41.96 39.69 3fnr s TYR 179 CO 0.31 -0.18 1.15 -2.14 -1.57 0.00 0.00 175.55 173.12 3fnr s PRO 180 N 0.22 -0.35 0.41 -1.71 0.02 -1.26 -4.98 135.00 127.34 3fnr s PRO 180 Ca -0.09 -0.01 0.22 0.00 0.02 0.00 0.00 61.00 61.14 3fnr s PRO 180 Cb -0.15 -1.69 0.45 0.00 0.02 0.00 0.00 34.50 33.12 3fnr s PRO 180 CO 0.05 -3.14 1.63 0.93 -0.33 0.00 0.00 177.00 176.14 3fnr h GLU 181 N -2.17 0.00 -4.35 5.54 4.39 -2.08 -3.41 114.58 112.50 3fnr h GLU 181 Ca -0.47 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 58.65 3fnr h GLU 181 Cb 1.29 0.00 -0.37 0.00 -0.10 0.00 0.00 28.75 29.57 3fnr h GLU 181 CO 0.42 0.16 -0.80 -0.65 -1.16 0.00 0.00 179.01 176.98 3fnr s GLN 182 N -3.24 1.71 0.07 2.33 -1.52 -1.26 -5.12 119.66 112.63 3fnr s GLN 182 Ca 0.05 -0.65 -0.18 0.00 -1.95 0.00 0.00 55.36 52.64 3fnr s GLN 182 Cb 0.07 -2.17 0.04 0.00 -0.22 0.00 0.00 33.01 30.72 3fnr s GLN 182 CO 0.67 -0.42 0.41 1.52 -0.25 0.00 0.00 175.29 177.22 3fnr s TYR 183 N 1.53 -0.25 -0.17 0.91 1.13 -1.26 -5.09 117.35 114.15 3fnr s TYR 183 Ca 0.00 0.13 -0.19 0.00 -1.41 0.00 0.00 57.07 55.60 3fnr s TYR 183 Cb -0.15 0.23 -0.03 0.00 -1.10 0.00 0.00 41.96 40.90 3fnr s TYR 183 CO -0.08 -0.61 0.55 0.71 -2.51 0.00 0.00 175.55 173.61 3fnr s TYR 184 N -2.86 3.43 0.13 -3.49 2.02 -1.26 -5.06 117.35 110.25 3fnr s TYR 184 Ca -0.03 0.88 0.04 0.00 -0.37 0.00 0.00 57.07 57.59 3fnr s TYR 184 Cb 0.00 -2.68 -0.04 0.00 -0.40 0.00 0.00 41.96 38.83 3fnr s TYR 184 CO -0.05 -0.03 -0.09 -1.59 -1.57 0.00 0.00 175.55 172.22 3fnr s LYS 185 N 1.37 0.98 0.00 -0.62 -2.85 -1.26 -4.84 119.74 112.52 3fnr s LYS 185 Ca 0.27 -1.40 0.00 0.00 -1.00 0.00 0.00 55.97 53.84 3fnr s LYS 185 Cb -0.16 -0.48 0.00 0.00 -2.06 0.00 0.00 37.83 35.13 3fnr s LYS 185 CO 0.11 0.04 0.00 0.41 0.10 0.00 0.00 175.35 176.01 3fnr n GLY 186 N -0.12 1.41 0.34 0.59 0.00 -1.26 -4.78 105.19 101.37 3fnr n GLY 186 Ca -0.11 -1.92 0.01 0.00 0.00 0.00 0.00 46.02 44.01 3fnr n GLY 186 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3fnr h GLU 187 N 0.00 0.89 -0.10 1.61 4.81 -1.94 -2.57 114.58 117.28 3fnr h GLU 187 Ca 0.00 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.07 3fnr h GLU 187 Cb 0.00 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 3fnr h GLU 187 CO 0.00 0.59 -0.40 0.10 -0.73 0.00 0.00 179.01 178.57 3fnr h TYR 188 N 0.91 0.25 -0.07 0.92 -0.00 -1.90 -2.32 116.97 114.77 3fnr h TYR 188 Ca 0.25 -0.07 -0.16 0.00 -0.00 0.00 0.00 58.73 58.75 3fnr h TYR 188 Cb -0.10 -0.06 -0.01 0.00 -0.00 0.00 0.00 36.73 36.56 3fnr h TYR 188 CO -0.00 0.59 -0.67 0.97 -0.00 0.00 0.00 178.16 179.05 3fnr h ILE 189 N 0.18 1.39 0.03 -0.90 6.09 -1.77 -2.52 117.51 120.01 3fnr h ILE 189 Ca 0.02 -2.09 -0.22 0.00 -1.37 0.00 0.00 64.86 61.19 3fnr h ILE 189 Cb 0.79 2.07 -0.02 0.00 0.47 0.00 0.00 36.82 40.13 3fnr h ILE 189 CO 0.06 0.62 -1.05 -0.37 -3.07 0.00 0.00 178.15 174.34 3fnr h VAL 190 N 0.22 1.67 -0.48 2.19 -1.51 -1.39 -2.07 116.25 114.88 3fnr h VAL 190 Ca -0.02 -3.34 -0.11 0.00 -1.23 0.00 0.00 66.70 62.00 3fnr h VAL 190 Cb 1.21 2.87 -0.01 0.00 -2.13 0.00 0.00 31.29 33.22 3fnr h VAL 190 CO 0.11 0.96 -0.15 0.44 -1.23 0.00 0.00 177.57 177.70 3fnr h ASP 191 N 0.02 0.96 0.02 4.19 3.45 -1.43 -2.26 116.42 121.37 3fnr h ASP 191 Ca -0.04 -0.37 -0.16 0.00 0.43 0.00 0.00 57.03 56.89 3fnr h ASP 191 Cb 1.81 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 40.31 3fnr h ASP 191 CO 0.15 1.11 -0.52 0.25 -1.57 0.00 0.00 179.24 178.66 3fnr h LEU 192 N 0.80 0.61 -1.15 1.55 5.85 -1.49 -1.56 115.31 119.91 3fnr h LEU 192 Ca 0.12 -0.32 -0.03 0.00 0.84 0.00 0.00 57.88 58.49 3fnr h LEU 192 Cb 0.71 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 3fnr h LEU 192 CO 0.05 1.02 0.20 0.00 -0.34 0.00 0.00 178.44 179.38 3fnr h ALA 193 N 0.99 1.33 -0.20 1.25 0.00 -1.31 0.24 119.26 121.56 3fnr h ALA 193 Ca 0.01 -0.16 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 3fnr h ALA 193 Cb 1.06 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3fnr h ALA 193 CO 0.10 0.50 -0.47 0.87 0.00 0.00 0.00 179.25 180.25 3fnr h LYS 194 N 0.79 0.52 -0.52 0.00 1.57 -1.17 -0.54 116.57 117.22 3fnr h LYS 194 Ca 0.19 -0.29 -0.11 0.00 -1.87 0.00 0.00 60.65 58.57 3fnr h LYS 194 Cb 0.18 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 3fnr h LYS 194 CO -0.01 0.88 -0.10 0.93 -0.57 0.00 0.00 179.45 180.58 3fnr h GLU 195 N 0.42 0.96 -0.24 3.15 5.08 -0.88 -2.83 114.58 120.25 3fnr h GLU 195 Ca 0.02 -0.34 -0.05 0.00 -1.00 0.00 0.00 59.36 57.99 3fnr h GLU 195 Cb 0.98 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 30.16 3fnr h GLU 195 CO 0.09 1.01 -0.04 0.00 -1.00 0.00 0.00 179.01 179.07 3fnr h ALA 196 N 1.01 0.33 -0.26 3.43 0.00 -0.31 -2.45 119.26 121.00 3fnr h ALA 196 Ca 0.14 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 3fnr h ALA 196 Cb 0.65 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3fnr h ALA 196 CO 0.04 0.10 -0.09 0.35 0.00 0.00 0.00 179.25 179.66 3fnr h PHE 197 N 0.20 0.45 -0.09 0.00 3.57 -1.14 -1.11 116.94 118.82 3fnr h PHE 197 Ca 0.06 -0.06 -0.19 0.00 3.53 0.00 0.00 57.97 61.32 3fnr h PHE 197 Cb 0.49 -0.13 -0.00 0.00 2.79 0.00 0.00 35.95 39.10 3fnr h PHE 197 CO 0.05 0.51 -0.74 1.49 -2.23 0.00 0.00 178.31 177.39 3fnr h GLU 198 N 0.40 0.48 0.06 1.11 4.57 -1.46 -2.39 114.58 117.35 3fnr h GLU 198 Ca 0.08 -0.39 -0.11 0.00 -1.18 0.00 0.00 59.36 57.76 3fnr h GLU 198 Cb 0.41 0.08 0.01 0.00 -0.16 0.00 0.00 28.75 29.09 3fnr h GLU 198 CO 0.02 1.03 -0.47 -0.22 -1.18 0.00 0.00 179.01 178.19 3fnr h LYS 199 N 0.33 0.20 0.00 1.92 1.63 -1.18 -3.40 116.57 116.08 3fnr h LYS 199 Ca -0.03 -0.30 -0.23 0.00 -0.85 0.00 0.00 60.65 59.24 3fnr h LYS 199 Cb 1.32 0.11 -0.04 0.00 -0.60 0.00 0.00 32.23 33.02 3fnr h LYS 199 CO 0.13 1.10 -2.15 1.19 -3.45 0.00 0.00 179.45 176.28 3fnr n PHE 200 N -4.34 0.12 0.00 1.91 3.72 -0.44 -5.11 117.46 113.32 3fnr n PHE 200 Ca -0.12 0.04 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 3fnr n PHE 200 Cb 0.66 -0.85 0.00 0.00 -0.94 0.00 0.00 39.48 38.35 3fnr n PHE 200 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3fnr n GLY 201 N 1.55 -1.82 0.37 1.37 0.00 -0.90 -4.42 105.19 101.33 3fnr n GLY 201 Ca -0.21 -1.53 0.11 0.00 0.00 0.00 0.00 46.02 44.39 3fnr n GLY 201 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3fnr h LYS 202 N 0.00 0.69 -0.25 1.61 3.64 -1.95 -2.70 116.57 117.60 3fnr h LYS 202 Ca 0.00 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.38 3fnr h LYS 202 Cb 0.00 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.65 3fnr h LYS 202 CO 0.00 0.46 0.18 0.93 -2.27 0.00 0.00 179.45 178.74 3fnr h GLU 203 N 0.71 0.15 0.00 1.90 5.08 -1.98 -3.02 114.58 117.42 3fnr h GLU 203 Ca 0.42 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.65 3fnr h GLU 203 Cb 0.63 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 3fnr h GLU 203 CO -0.18 0.10 -0.57 0.35 -1.00 0.00 0.00 179.01 177.70 3fnr h PHE 204 N 0.15 0.00 -0.69 4.33 3.57 -1.69 -3.41 116.94 119.20 3fnr h PHE 204 Ca 0.11 0.00 -0.69 0.00 3.53 0.00 0.00 57.97 60.92 3fnr h PHE 204 Cb 0.26 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 38.92 3fnr h PHE 204 CO -0.00 0.57 2.43 1.19 -2.23 0.00 0.00 178.31 180.27 3fnr n PHE 205 N -3.79 4.33 -4.26 0.41 3.01 -1.14 -4.65 117.46 111.37 3fnr n PHE 205 Ca -0.01 -2.90 -0.14 0.00 1.01 0.00 0.00 57.45 55.40 3fnr n PHE 205 Cb 0.59 -2.58 -0.10 0.00 -0.01 0.00 0.00 39.48 37.38 3fnr n PHE 205 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 3fnr s SER 206 N 3.80 1.22 0.64 4.37 1.04 -1.26 -5.06 113.70 118.45 3fnr s SER 206 Ca 0.51 -1.22 0.37 0.00 0.48 0.00 0.00 55.95 56.09 3fnr s SER 206 Cb 0.07 0.13 2.06 0.00 0.10 0.00 0.00 66.02 68.38 3fnr s SER 206 CO 0.03 -0.60 2.23 -0.33 0.98 0.00 0.00 173.24 175.55 3fnr h GLU 207 N 2.62 0.00 0.00 4.02 5.08 -2.01 -1.99 114.58 122.30 3fnr h GLU 207 Ca -0.37 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 57.96 3fnr h GLU 207 Cb 1.22 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.46 3fnr h GLU 207 CO 0.62 0.00 -0.16 1.05 -1.00 0.00 0.00 179.01 179.52 3fnr h GLU 208 N 0.00 0.00 -0.38 2.33 4.11 -1.97 -3.24 114.58 115.43 3fnr h GLU 208 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.45 3fnr h GLU 208 Cb 0.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 3fnr h GLU 208 CO -0.00 0.16 0.00 0.09 0.07 0.00 0.00 179.01 179.33 3fnr n ASN 209 N -3.18 3.02 -0.05 3.06 3.02 -0.75 -4.57 115.26 115.82 3fnr n ASN 209 Ca 0.02 -1.93 -0.08 0.00 -0.03 0.00 0.00 54.58 52.56 3fnr n ASN 209 Cb 0.53 -0.24 -0.01 0.00 -0.61 0.00 0.00 39.78 39.44 3fnr n ASN 209 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3fnr h ILE 210 N 3.81 0.52 0.00 2.41 2.04 -1.65 -0.00 117.51 124.64 3fnr h ILE 210 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 3fnr h ILE 210 Cb 0.84 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 37.44 3fnr h ILE 210 CO 0.00 0.00 -0.08 1.55 0.00 0.00 0.00 178.15 179.62 3fnr h PRO 211 N -0.17 0.00 -0.20 2.37 0.13 -1.87 0.30 132.00 132.57 3fnr h PRO 211 Ca 0.13 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 65.12 3fnr h PRO 211 Cb 0.37 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.49 3fnr h PRO 211 CO -0.34 0.08 -0.46 0.77 -0.23 0.00 0.00 178.00 177.83 3fnr h SER 212 N 0.00 0.54 -0.10 1.44 0.02 -1.73 -2.27 113.55 111.45 3fnr h SER 212 Ca -0.00 -0.26 -0.11 0.00 -0.84 0.00 0.00 61.79 60.58 3fnr h SER 212 Cb 0.59 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.98 3fnr h SER 212 CO 0.01 0.92 -0.38 0.25 -1.14 0.00 0.00 176.83 176.49 3fnr h LEU 213 N 0.40 0.52 -0.91 5.07 6.46 -0.14 -3.01 115.31 123.70 3fnr h LEU 213 Ca 0.03 -0.62 0.01 0.00 -0.12 0.00 0.00 57.88 57.17 3fnr h LEU 213 Cb 0.96 -0.15 -0.05 0.00 -0.73 0.00 0.00 40.66 40.70 3fnr h LEU 213 CO 0.09 1.05 0.60 0.00 -0.62 0.00 0.00 178.44 179.56 3fnr h ALA 214 N 0.48 1.15 -0.45 1.25 0.00 -0.47 0.14 119.26 121.36 3fnr h ALA 214 Ca -0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3fnr h ALA 214 Cb 1.02 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3fnr h ALA 214 CO 0.08 0.55 0.22 -0.44 0.00 0.00 0.00 179.25 179.66 3fnr h ASP 215 N 1.23 0.58 -0.58 0.00 3.32 -1.46 0.10 116.42 119.62 3fnr h ASP 215 Ca 0.33 -0.12 -0.07 0.00 0.02 0.00 0.00 57.03 57.20 3fnr h ASP 215 Cb -0.14 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.24 3fnr h ASP 215 CO -0.07 0.54 0.09 -0.25 -1.72 0.00 0.00 179.24 177.82 3fnr h TRP 216 N 0.59 1.02 -0.06 4.55 7.01 -1.36 -3.03 115.95 124.66 3fnr h TRP 216 Ca 0.16 -0.14 -0.01 0.00 2.11 0.00 0.00 58.89 61.00 3fnr h TRP 216 Cb 0.10 -0.28 -0.00 0.00 -2.10 0.00 0.00 29.16 26.88 3fnr h TRP 216 CO -0.01 0.89 -0.02 0.00 -2.79 0.00 0.00 178.44 176.50 3fnr h ALA 217 N 1.00 0.08 0.00 2.65 0.00 -0.49 -2.76 119.26 119.74 3fnr h ALA 217 Ca 0.17 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 3fnr h ALA 217 Cb 0.42 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 3fnr h ALA 217 CO 0.01 -0.19 -0.13 1.57 0.00 0.00 0.00 179.25 180.51 3fnr h LYS 218 N -0.25 0.00 -0.15 0.00 5.09 -0.85 0.88 116.57 121.29 3fnr h LYS 218 Ca 0.01 0.00 -0.14 0.00 0.09 0.00 0.00 60.65 60.62 3fnr h LYS 218 Cb 0.44 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 32.76 3fnr h LYS 218 CO 0.01 0.13 -0.50 -0.44 -2.09 0.00 0.00 179.45 176.56 3fnr h ASP 219 N 0.00 0.43 -0.24 7.07 3.32 -1.50 -1.14 116.42 124.36 3fnr h ASP 219 Ca -0.00 -0.21 -0.18 0.00 0.02 0.00 0.00 57.03 56.66 3fnr h ASP 219 Cb 0.24 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.67 3fnr h ASP 219 CO 0.02 0.86 -0.54 0.11 -1.72 0.00 0.00 179.24 177.96 3fnr h LYS 220 N 0.31 0.79 -0.27 3.56 1.79 -0.68 -2.41 116.57 119.66 3fnr h LYS 220 Ca 0.01 -0.53 -0.08 0.00 -2.18 0.00 0.00 60.65 57.88 3fnr h LYS 220 Cb 0.99 0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.69 3fnr h LYS 220 CO 0.09 1.16 -0.15 0.52 -1.08 0.00 0.00 179.45 179.98 3fnr h MET 221 N 0.53 0.47 -0.21 3.15 2.86 -0.89 0.10 114.93 120.95 3fnr h MET 221 Ca -0.00 -0.14 -0.11 0.00 -2.06 0.00 0.00 59.70 57.39 3fnr h MET 221 Cb 1.16 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 32.76 3fnr h MET 221 CO 0.12 0.62 -0.35 1.25 1.06 0.00 0.00 176.91 179.61 3fnr h LEU 222 N 0.43 0.45 -0.47 1.22 5.85 -1.19 0.26 115.31 121.87 3fnr h LEU 222 Ca 0.08 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.57 3fnr h LEU 222 Cb 0.52 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 3fnr h LEU 222 CO 0.03 0.77 0.11 0.58 -0.34 0.00 0.00 178.44 179.59 3fnr h VAL 223 N 0.37 1.24 -0.26 1.05 2.07 -0.94 -1.48 116.25 118.30 3fnr h VAL 223 Ca 0.04 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 3fnr h VAL 223 Cb 0.79 0.89 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 3fnr h VAL 223 CO 0.06 0.30 0.14 0.25 0.02 0.00 0.00 177.57 178.34 3fnr h LEU 224 N 0.63 0.33 -0.53 2.57 5.85 -0.51 -2.09 115.31 121.57 3fnr h LEU 224 Ca 0.15 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 3fnr h LEU 224 Cb 0.34 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 3fnr h LEU 224 CO 0.00 0.33 0.29 0.40 -0.34 0.00 0.00 178.44 179.12 3fnr h ILE 225 N 0.31 1.18 -0.88 4.05 2.04 -0.47 0.57 117.51 124.31 3fnr h ILE 225 Ca 0.09 -0.46 0.07 0.00 1.00 0.00 0.00 64.86 65.56 3fnr h ILE 225 Cb 0.08 0.53 -0.06 0.00 -0.74 0.00 0.00 36.82 36.62 3fnr h ILE 225 CO -0.01 0.19 0.54 0.11 0.00 0.00 0.00 178.15 178.98 3fnr h LYS 226 N 0.70 0.95 0.00 2.37 1.57 -1.11 -1.09 116.57 119.96 3fnr h LYS 226 Ca 0.18 -0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 58.75 3fnr h LYS 226 Cb 0.05 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 3fnr h LYS 226 CO -0.03 0.63 -0.74 -0.56 -0.57 0.00 0.00 179.45 178.18 3fnr h GLN 227 N 0.98 0.00 -0.61 3.15 3.07 -0.95 -0.39 115.11 120.36 3fnr h GLN 227 Ca 0.39 0.00 0.07 0.00 0.09 0.00 0.00 58.65 59.20 3fnr h GLN 227 Cb 0.21 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 27.71 3fnr h GLN 227 CO -0.19 0.74 0.29 -0.91 0.09 0.00 0.00 178.83 178.85 3fnr h ASN 228 N 0.00 0.39 -0.16 0.06 -0.26 -0.38 -0.30 115.58 114.93 3fnr h ASN 228 Ca -0.01 0.05 -0.17 0.00 -0.56 0.00 0.00 56.30 55.61 3fnr h ASN 228 Cb 1.45 -0.02 -0.00 0.00 -1.06 0.00 0.00 38.32 38.69 3fnr h ASN 228 CO 0.10 0.25 -0.52 -0.07 -1.06 0.00 0.00 177.43 176.12 3fnr h LEU 229 N 0.54 0.81 -1.09 1.61 3.38 -1.04 -3.18 115.31 116.34 3fnr h LEU 229 Ca 0.29 -0.42 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 3fnr h LEU 229 Cb 0.26 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 3fnr h LEU 229 CO -0.22 1.18 -0.24 -0.08 0.09 0.00 0.00 178.44 179.16 3fnr h GLU 230 N 0.57 0.34 -0.62 1.13 4.22 -0.74 0.35 114.58 119.84 3fnr h GLU 230 Ca 0.02 -0.12 0.05 0.00 0.08 0.00 0.00 59.36 59.39 3fnr h GLU 230 Cb 1.09 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.28 3fnr h GLU 230 CO 0.11 0.57 0.41 0.37 -2.18 0.00 0.00 179.01 178.29 3fnr h GLN 231 N 0.31 0.66 -0.65 1.92 4.15 -1.04 -0.98 115.11 119.48 3fnr h GLN 231 Ca 0.05 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.43 3fnr h GLN 231 Cb 0.60 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.14 3fnr h GLN 231 CO 0.04 0.43 0.00 0.00 -1.93 0.00 0.00 178.83 177.38 3fnr n ALA 232 N -2.46 3.22 -2.45 3.38 0.00 -0.80 -4.71 120.51 116.69 3fnr n ALA 232 Ca 0.08 -1.30 -0.15 0.00 0.00 0.00 0.00 53.44 52.07 3fnr n ALA 232 Cb 0.18 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.58 3fnr n ALA 232 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3fnr n LYS 233 N 0.65 -1.93 -4.09 0.00 4.76 -0.37 -4.95 118.16 112.23 3fnr n LYS 233 Ca 0.20 0.71 -0.34 0.00 -2.87 0.00 0.00 58.31 56.01 3fnr n LYS 233 Cb 0.82 -5.04 -0.14 0.00 -1.84 0.00 0.00 35.03 28.83 3fnr n LYS 233 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3fnr s ILE 234 N -2.83 3.21 -0.08 -0.18 1.01 0.12 -4.97 121.20 117.47 3fnr s ILE 234 Ca 0.07 -0.56 0.03 0.00 0.00 0.00 0.00 60.65 60.19 3fnr s ILE 234 Cb -0.03 -2.43 0.00 0.00 0.01 0.00 0.00 42.46 40.01 3fnr s ILE 234 CO 0.08 0.45 -0.19 -0.54 0.00 0.00 0.00 174.94 174.75 3fnr s LYS 235 N 1.23 2.48 -0.12 2.79 1.02 -1.26 -2.94 119.74 122.93 3fnr s LYS 235 Ca 0.03 -0.70 -0.05 0.00 0.02 0.00 0.00 55.97 55.27 3fnr s LYS 235 Cb -0.14 -1.93 -0.04 0.00 -0.52 0.00 0.00 37.83 35.20 3fnr s LYS 235 CO -0.03 0.13 0.07 0.42 -0.92 0.00 0.00 175.35 175.03 3fnr s ILE 236 N 0.43 4.91 -0.73 2.17 1.01 -1.26 -5.03 121.20 122.70 3fnr s ILE 236 Ca -0.16 -0.01 0.26 0.00 0.00 0.00 0.00 60.65 60.74 3fnr s ILE 236 Cb -0.17 -3.13 0.29 0.00 0.01 0.00 0.00 42.46 39.46 3fnr s ILE 236 CO 0.07 0.57 1.78 0.47 0.00 0.00 0.00 174.94 177.83 3fnr n ASP 237 N 2.45 0.81 -3.67 3.58 9.92 -1.21 -4.77 116.55 123.66 3fnr n ASP 237 Ca -0.19 0.58 -0.09 0.00 -0.53 0.00 0.00 54.79 54.56 3fnr n ASP 237 Cb 0.54 -0.79 -0.10 0.00 -0.64 0.00 0.00 41.12 40.13 3fnr n ASP 237 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 3fnr s SER 238 N -4.52 -0.46 -0.20 -2.24 0.15 -1.01 -5.00 113.70 100.42 3fnr s SER 238 Ca 0.11 1.01 -0.05 0.00 0.70 0.00 0.00 55.95 57.71 3fnr s SER 238 Cb 0.12 1.12 -0.03 0.00 -1.71 0.00 0.00 66.02 65.53 3fnr s SER 238 CO 0.60 -0.21 0.01 -0.31 1.20 0.00 0.00 173.24 174.52 3fnr s TYR 239 N 2.00 3.06 0.03 3.44 1.51 -1.26 -0.20 117.35 125.93 3fnr s TYR 239 Ca -0.06 -0.39 0.07 0.00 -1.01 0.00 0.00 57.07 55.68 3fnr s TYR 239 Cb -0.10 -2.08 -0.03 0.00 -0.11 0.00 0.00 41.96 39.64 3fnr s TYR 239 CO -0.14 -0.19 -0.20 0.14 -1.11 0.00 0.00 175.55 174.05 3fnr s VAL 240 N 0.93 2.63 -0.09 0.71 -7.23 0.23 -4.96 120.40 112.61 3fnr s VAL 240 Ca 0.01 -1.17 -0.13 0.00 -1.81 0.00 0.00 61.98 58.89 3fnr s VAL 240 Cb -0.14 -2.07 -0.05 0.00 0.56 0.00 0.00 36.38 34.68 3fnr s VAL 240 CO 0.02 0.39 0.30 -0.55 -0.31 0.00 0.00 175.10 174.96 3fnr s SER 241 N -1.24 6.57 0.25 4.85 0.15 -1.26 -0.07 113.70 122.95 3fnr s SER 241 Ca 0.13 0.67 -0.03 0.00 0.70 0.00 0.00 55.95 57.42 3fnr s SER 241 Cb -0.10 -2.18 0.41 0.00 -1.71 0.00 0.00 66.02 62.43 3fnr s SER 241 CO 0.03 0.25 1.84 -0.08 1.20 0.00 0.00 173.24 176.48 3fnr h GLU 242 N 5.57 0.90 -0.02 5.44 4.81 -1.66 -2.84 114.58 126.78 3fnr h GLU 242 Ca -0.48 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 58.70 3fnr h GLU 242 Cb 1.20 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 30.38 3fnr h GLU 242 CO 0.66 0.60 0.02 0.00 -0.73 0.00 0.00 179.01 179.56 3fnr h ARG 243 N 0.93 0.00 0.00 1.92 3.08 -1.85 -1.50 114.38 116.96 3fnr h ARG 243 Ca 0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.46 3fnr h ARG 243 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.36 3fnr h ARG 243 CO -0.22 0.00 0.00 -1.13 -1.07 0.00 0.00 179.97 177.55 3fnr n SER 244 N -4.00 0.00 -0.48 7.04 3.41 -1.07 -3.41 113.62 115.11 3fnr n SER 244 Ca -0.03 -1.42 0.06 0.00 -0.26 0.00 0.00 58.87 57.23 3fnr n SER 244 Cb 0.11 0.00 0.15 0.00 -0.26 0.00 0.00 64.21 64.20 3fnr n SER 244 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3fnr n TYR 245 N -0.77 0.42 0.08 7.33 4.02 -0.56 -4.64 117.16 123.03 3fnr n TYR 245 Ca 0.12 -0.67 -0.08 0.00 -0.01 0.00 0.00 57.90 57.26 3fnr n TYR 245 Cb 0.06 -0.13 0.04 0.00 -0.02 0.00 0.00 39.34 39.29 3fnr n TYR 245 CO 0.00 0.00 0.00 0.10 -1.01 0.00 0.00 176.86 175.95 3fnr h TYR 246 N 1.22 0.37 0.00 -0.72 -0.00 -1.71 -3.01 116.97 113.12 3fnr h TYR 246 Ca 0.00 -0.17 0.00 0.00 -0.00 0.00 0.00 58.73 58.56 3fnr h TYR 246 Cb 0.91 -0.05 0.00 0.00 -0.00 0.00 0.00 36.73 37.58 3fnr h TYR 246 CO 0.22 0.93 0.00 -0.44 -0.00 0.00 0.00 178.16 178.86 3fnr h ASP 247 N 0.18 0.00 0.14 0.10 3.32 -1.86 -3.32 116.42 114.98 3fnr h ASP 247 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3fnr h ASP 247 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.88 3fnr h ASP 247 CO 0.12 0.00 -0.22 0.00 -1.72 0.00 0.00 179.24 177.42 3fnr n ALA 248 N -1.82 3.00 -0.14 3.45 0.00 -1.14 -4.31 120.51 119.55 3fnr n ALA 248 Ca 0.04 -0.46 -0.10 0.00 0.00 0.00 0.00 53.44 52.92 3fnr n ALA 248 Cb 0.37 -1.08 -0.01 0.00 0.00 0.00 0.00 19.45 18.73 3fnr n ALA 248 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3fnr h LEU 249 N 1.77 0.73 -0.25 0.00 5.85 -1.66 -3.06 115.31 118.70 3fnr h LEU 249 Ca 0.00 -0.31 0.05 0.00 0.84 0.00 0.00 57.88 58.45 3fnr h LEU 249 Cb 0.56 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 3fnr h LEU 249 CO 0.00 0.87 -0.04 -1.13 -0.34 0.00 0.00 178.44 177.80 3fnr h ASN 250 N 0.58 -0.19 -0.38 1.25 -1.24 -1.86 -1.29 115.58 112.45 3fnr h ASN 250 Ca 0.12 0.07 -0.01 0.00 0.71 0.00 0.00 56.30 57.18 3fnr h ASN 250 Cb 0.50 0.14 -0.02 0.00 0.73 0.00 0.00 38.32 39.66 3fnr h ASN 250 CO 0.02 -0.06 0.20 0.00 -1.29 0.00 0.00 177.43 176.30 3fnr h ALA 251 N 1.24 1.57 -0.02 1.57 0.00 -1.83 -0.24 119.26 121.55 3fnr h ALA 251 Ca 0.12 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3fnr h ALA 251 Cb 0.17 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3fnr h ALA 251 CO -0.24 0.35 -0.00 1.15 0.00 0.00 0.00 179.25 180.51 3fnr h THR 252 N 0.58 1.25 -0.32 0.00 2.02 -1.33 -1.12 112.91 114.00 3fnr h THR 252 Ca 0.15 -0.76 0.05 0.00 0.77 0.00 0.00 66.41 66.62 3fnr h THR 252 Cb 0.06 1.72 -0.05 0.00 -1.74 0.00 0.00 68.15 68.15 3fnr h THR 252 CO -0.02 0.20 0.02 -0.07 0.37 0.00 0.00 175.52 176.02 3fnr h LEU 253 N -0.27 -0.08 -0.19 2.58 3.38 -0.85 0.00 115.31 119.89 3fnr h LEU 253 Ca 0.01 0.06 0.03 0.00 0.09 0.00 0.00 57.88 58.07 3fnr h LEU 253 Cb 0.33 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 3fnr h LEU 253 CO 0.00 -0.00 -0.02 -0.33 0.09 0.00 0.00 178.44 178.18 3fnr h GLU 254 N 0.12 0.04 -0.75 1.13 4.39 -1.03 -0.17 114.58 118.31 3fnr h GLU 254 Ca 0.15 -0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.81 3fnr h GLU 254 Cb 0.19 -0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 28.80 3fnr h GLU 254 CO -0.24 0.02 0.30 1.03 -1.16 0.00 0.00 179.01 178.97 3fnr h SER 255 N 0.04 1.03 -0.96 1.42 0.87 -0.90 -0.42 113.55 114.64 3fnr h SER 255 Ca 0.09 -0.17 0.03 0.00 -1.23 0.00 0.00 61.79 60.51 3fnr h SER 255 Cb 0.12 -0.27 -0.05 0.00 -0.44 0.00 0.00 62.40 61.76 3fnr h SER 255 CO -0.17 0.92 0.62 -0.07 -0.53 0.00 0.00 176.83 177.61 3fnr h LEU 256 N 1.08 1.05 -0.50 2.23 4.07 -0.68 -2.78 115.31 119.77 3fnr h LEU 256 Ca 0.25 -0.01 -0.16 0.00 0.08 0.00 0.00 57.88 58.04 3fnr h LEU 256 Cb 0.21 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.70 3fnr h LEU 256 CO -0.02 0.72 -0.46 0.50 -1.08 0.00 0.00 178.44 178.10 3fnr h LYS 257 N 1.22 0.71 0.00 1.13 3.64 -0.30 0.53 116.57 123.49 3fnr h LYS 257 Ca 0.38 -0.40 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3fnr h LYS 257 Cb -0.02 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 3fnr h LYS 257 CO -0.12 1.02 0.00 0.93 -2.27 0.00 0.00 179.45 179.01 3fnr h GLU 258 N 0.56 0.00 -0.26 1.90 5.08 -0.83 0.11 114.58 121.14 3fnr h GLU 258 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3fnr h GLU 258 Cb 1.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.26 3fnr h GLU 258 CO 0.10 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.83 3fnr n HIS 259 N -2.73 0.39 -3.13 4.33 8.25 -1.10 -4.99 115.22 116.23 3fnr n HIS 259 Ca -0.02 -0.53 -0.21 0.00 -0.26 0.00 0.00 57.72 56.69 3fnr n HIS 259 Cb 0.06 -0.05 0.05 0.00 1.12 0.00 0.00 29.99 31.17 3fnr n HIS 259 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3fnr n LYS 260 N 0.21 -5.44 0.00 -0.41 5.02 0.03 -4.92 118.16 112.64 3fnr n LYS 260 Ca 0.10 0.83 0.12 0.00 -2.02 0.00 0.00 58.31 57.34 3fnr n LYS 260 Cb 0.42 -5.61 0.17 0.00 -0.02 0.00 0.00 35.03 29.99 3fnr n LYS 260 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3fnr n GLY 261 N -1.61 -0.89 3.24 0.72 0.00 0.18 -4.89 105.19 101.95 3fnr n GLY 261 Ca -0.07 -0.45 -0.19 0.00 0.00 0.00 0.00 46.02 45.30 3fnr n GLY 261 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3fnr s ILE 262 N -2.82 1.39 0.07 -0.61 -4.36 -1.25 -0.65 121.20 112.97 3fnr s ILE 262 Ca 0.15 -1.64 -0.19 0.00 -0.26 0.00 0.00 60.65 58.70 3fnr s ILE 262 Cb 0.18 -1.48 0.04 0.00 1.25 0.00 0.00 42.46 42.45 3fnr s ILE 262 CO 0.68 -0.33 0.46 -0.72 0.24 0.00 0.00 174.94 175.27 3fnr s TYR 263 N -1.86 -0.32 -0.04 1.37 -0.85 -0.85 -4.91 117.35 109.90 3fnr s TYR 263 Ca 0.07 0.24 -0.14 0.00 -0.52 0.00 0.00 57.07 56.72 3fnr s TYR 263 Cb -0.06 0.29 -0.05 0.00 0.38 0.00 0.00 41.96 42.51 3fnr s TYR 263 CO 0.03 -0.64 0.36 -2.00 -1.52 0.00 0.00 175.55 171.78 3fnr s GLU 264 N -2.86 3.88 -0.23 -3.49 -6.30 -1.26 -0.67 118.70 107.76 3fnr s GLU 264 Ca -0.03 0.30 -0.20 0.00 -2.50 0.00 0.00 54.97 52.55 3fnr s GLU 264 Cb -0.00 -3.24 0.06 0.00 0.00 0.00 0.00 34.13 30.95 3fnr s GLU 264 CO -0.05 0.65 0.61 -1.14 0.02 0.00 0.00 175.26 175.36 3fnr s GLN 265 N -0.89 0.70 -1.43 4.30 0.74 -0.15 -4.97 119.66 117.95 3fnr s GLN 265 Ca 0.22 0.91 -0.10 0.00 0.05 0.00 0.00 55.36 56.43 3fnr s GLN 265 Cb -0.16 0.29 0.06 0.00 1.10 0.00 0.00 33.01 34.31 3fnr s GLN 265 CO 0.11 -0.10 0.68 0.39 -0.55 0.00 0.00 175.29 175.82 3fnr n GLU 266 N 3.08 -4.41 -1.01 1.67 1.02 -1.26 -0.76 120.64 118.98 3fnr n GLU 266 Ca -0.15 0.60 -0.00 0.00 -0.02 0.00 0.00 57.16 57.59 3fnr n GLU 266 Cb 0.56 -5.41 -0.00 0.00 -0.02 0.00 0.00 31.44 26.57 3fnr n GLU 266 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3fnr n GLY 267 N -1.42 0.39 3.38 0.62 0.00 -1.26 -4.88 105.19 102.01 3fnr n GLY 267 Ca -0.01 -0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.70 3fnr n GLY 267 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fnr s LYS 268 N -0.60 1.38 -0.22 1.61 1.02 0.07 -3.84 119.74 119.15 3fnr s LYS 268 Ca 0.00 -1.37 -0.11 0.00 0.02 0.00 0.00 55.97 54.50 3fnr s LYS 268 Cb 0.00 -1.75 -0.05 0.00 -0.52 0.00 0.00 37.83 35.51 3fnr s LYS 268 CO 0.00 0.40 0.20 0.42 -0.92 0.00 0.00 175.35 175.45 3fnr s ILE 269 N -1.33 5.34 0.11 2.17 1.01 -0.71 -0.98 121.20 126.80 3fnr s ILE 269 Ca 0.15 0.29 0.07 0.00 0.00 0.00 0.00 60.65 61.16 3fnr s ILE 269 Cb -0.09 -3.54 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 3fnr s ILE 269 CO 0.07 0.34 -0.11 0.26 0.00 0.00 0.00 174.94 175.50 3fnr s TRP 270 N 0.98 2.70 -0.11 3.97 0.52 0.15 -0.77 118.94 126.39 3fnr s TRP 270 Ca 0.10 -0.18 -0.18 0.00 0.02 0.00 0.00 56.10 55.86 3fnr s TRP 270 Cb -0.13 -1.41 -0.04 0.00 -1.15 0.00 0.00 33.47 30.73 3fnr s TRP 270 CO 0.04 0.43 0.48 -1.17 0.02 0.00 0.00 176.95 176.74 3fnr s LEU 271 N -2.23 4.29 -1.08 2.99 2.96 0.92 -2.00 118.68 124.52 3fnr s LEU 271 Ca 0.21 0.83 -0.07 0.00 -0.22 0.00 0.00 54.13 54.87 3fnr s LEU 271 Cb -0.11 -2.70 -0.07 0.00 0.50 0.00 0.00 46.19 43.82 3fnr s LEU 271 CO 0.13 0.01 2.97 0.00 -1.32 0.00 0.00 176.35 178.15 3fnr n ALA 272 N 3.59 7.04 0.21 5.97 0.00 0.17 -2.36 120.51 135.13 3fnr n ALA 272 Ca -0.07 -3.23 0.09 0.00 0.00 0.00 0.00 53.44 50.23 3fnr n ALA 272 Cb 0.52 -2.89 0.40 0.00 0.00 0.00 0.00 19.45 17.47 3fnr n ALA 272 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3fnr h SER 273 N 4.27 0.00 0.62 0.00 4.64 -1.85 -2.43 113.55 118.80 3fnr h SER 273 Ca 0.64 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.96 3fnr h SER 273 Cb 0.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.69 3fnr h SER 273 CO 1.28 0.27 0.00 -1.54 -0.87 0.00 0.00 176.83 175.97 3fnr n SER 274 N -3.40 0.63 0.00 4.97 3.41 -1.26 -1.23 113.62 116.74 3fnr n SER 274 Ca 0.00 0.67 0.13 0.00 -0.26 0.00 0.00 58.87 59.41 3fnr n SER 274 Cb 0.47 -0.80 0.62 0.00 -0.26 0.00 0.00 64.21 64.24 3fnr n SER 274 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3fnr n GLN 275 N -2.21 0.25 -0.87 4.33 6.02 -0.92 -3.58 117.38 120.40 3fnr n GLN 275 Ca 0.02 0.05 0.05 0.00 -0.01 0.00 0.00 57.00 57.10 3fnr n GLN 275 Cb 0.20 -1.50 0.10 0.00 1.02 0.00 0.00 30.24 30.06 3fnr n GLN 275 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3fnr n LYS 276 N -1.36 0.73 -0.33 -1.09 4.01 -0.36 -5.01 118.16 114.76 3fnr n LYS 276 Ca 0.10 -2.41 0.00 0.00 -0.51 0.00 0.00 58.31 55.49 3fnr n LYS 276 Cb 0.24 -0.83 0.00 0.00 -0.51 0.00 0.00 35.03 33.93 3fnr n LYS 276 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3fnr n GLY 277 N -0.39 0.75 3.86 0.72 0.00 -1.15 -4.63 105.19 104.35 3fnr n GLY 277 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 3fnr n GLY 277 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3fnr s ASP 278 N -2.51 6.24 0.11 1.61 3.68 -0.93 -4.95 116.67 119.92 3fnr s ASP 278 Ca 0.00 1.48 -0.23 0.00 2.13 0.00 0.00 52.55 55.93 3fnr s ASP 278 Cb 0.00 -2.48 -0.09 0.00 -1.45 0.00 0.00 42.92 38.90 3fnr s ASP 278 CO 0.00 -0.86 1.70 -0.08 0.13 0.00 0.00 175.17 176.06 3fnr h GLU 279 N -0.07 -0.13 -3.90 4.34 4.81 -1.93 -3.38 114.58 114.32 3fnr h GLU 279 Ca -0.45 0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 58.69 3fnr h GLU 279 Cb 1.19 0.03 -0.11 0.00 0.63 0.00 0.00 28.75 30.49 3fnr h GLU 279 CO 0.61 -0.09 -0.28 -1.59 -0.73 0.00 0.00 179.01 176.94 3fnr s LYS 280 N -6.17 1.33 0.65 1.92 -2.85 -1.26 -4.89 119.74 108.48 3fnr s LYS 280 Ca -0.14 -1.28 -0.12 0.00 -1.00 0.00 0.00 55.97 53.43 3fnr s LYS 280 Cb 0.08 0.40 -0.01 0.00 -2.06 0.00 0.00 37.83 36.24 3fnr s LYS 280 CO 0.67 -0.51 1.05 -0.51 0.10 0.00 0.00 175.35 176.14 3fnr s ASP 281 N -3.02 5.66 0.04 0.03 -0.00 -1.26 -4.17 116.67 113.95 3fnr s ASP 281 Ca 0.23 1.63 0.05 0.00 -0.00 0.00 0.00 52.55 54.46 3fnr s ASP 281 Cb 0.02 -2.50 -0.02 0.00 -0.00 0.00 0.00 42.92 40.42 3fnr s ASP 281 CO 0.06 -1.25 -0.14 -0.13 -0.00 0.00 0.00 175.17 173.70 3fnr s ARG 282 N -4.80 0.94 -0.17 8.23 1.81 -0.99 -4.97 118.95 118.99 3fnr s ARG 282 Ca 0.59 -0.78 -0.29 0.00 -1.72 0.00 0.00 55.73 53.52 3fnr s ARG 282 Cb -0.14 -0.95 -0.00 0.00 -0.45 0.00 0.00 34.95 33.41 3fnr s ARG 282 CO 0.50 0.23 1.06 0.08 -0.68 0.00 0.00 175.30 176.49 3fnr s VAL 283 N -0.88 4.64 -0.19 3.52 1.01 -1.26 -0.05 120.40 127.18 3fnr s VAL 283 Ca 0.01 1.96 -0.16 0.00 0.00 0.00 0.00 61.98 63.79 3fnr s VAL 283 Cb -0.08 -4.26 -0.12 0.00 0.00 0.00 0.00 36.38 31.92 3fnr s VAL 283 CO 0.01 -0.10 -0.02 -0.38 0.00 0.00 0.00 175.10 174.61 3fnr n ILE 284 N 5.03 1.49 -4.74 2.22 2.08 0.05 -4.65 119.36 120.85 3fnr n ILE 284 Ca 0.11 0.02 -0.33 0.00 0.56 0.00 0.00 62.75 63.11 3fnr n ILE 284 Cb 0.47 -2.16 -0.16 0.00 -0.75 0.00 0.00 39.64 37.04 3fnr n ILE 284 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 3fnr s ILE 285 N -2.38 2.49 0.92 1.39 -1.09 -0.72 -1.10 121.20 120.71 3fnr s ILE 285 Ca -0.26 -0.84 -0.12 0.00 -2.23 0.00 0.00 60.65 57.20 3fnr s ILE 285 Cb 0.06 -2.02 0.14 0.00 -1.58 0.00 0.00 42.46 39.06 3fnr s ILE 285 CO 0.45 0.53 1.11 -0.13 -1.23 0.00 0.00 174.94 175.66 3fnr s ARG 286 N 0.64 1.09 0.00 2.79 0.52 -0.10 -1.74 118.95 122.15 3fnr s ARG 286 Ca -0.09 0.54 0.12 0.00 -0.52 0.00 0.00 55.73 55.78 3fnr s ARG 286 Cb -0.16 -1.81 0.56 0.00 0.52 0.00 0.00 34.95 34.06 3fnr s ARG 286 CO 0.02 -2.28 1.35 -0.85 0.02 0.00 0.00 175.30 173.56 3fnr n GLU 287 N -3.87 0.08 0.16 3.54 0.28 -1.25 -1.26 120.64 118.32 3fnr n GLU 287 Ca 0.06 0.24 0.02 0.00 -0.16 0.00 0.00 57.16 57.32 3fnr n GLU 287 Cb 0.57 -1.50 0.24 0.00 1.43 0.00 0.00 31.44 32.18 3fnr n GLU 287 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 177.13 177.19 3fnr h ASP 288 N 0.00 0.00 0.00 -1.84 -0.00 -1.91 -3.47 116.42 109.20 3fnr h ASP 288 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 3fnr h ASP 288 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.49 3fnr h ASP 288 CO 0.00 0.51 0.00 0.61 -0.00 0.00 0.00 179.24 180.36 3fnr n GLY 289 N 0.27 0.47 3.86 -0.78 0.00 -0.39 -5.08 105.19 103.55 3fnr n GLY 289 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 3fnr n GLY 289 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fnr s ARG 290 N -0.97 3.76 0.49 1.61 3.00 -1.26 -4.85 118.95 120.74 3fnr s ARG 290 Ca 0.00 0.19 -0.22 0.00 0.00 0.00 0.00 55.73 55.70 3fnr s ARG 290 Cb 0.00 -3.06 -0.07 0.00 0.00 0.00 0.00 34.95 31.82 3fnr s ARG 290 CO 0.00 0.61 1.18 0.20 0.00 0.00 0.00 175.30 177.28 3fnr s GLY 291 N -1.58 2.76 0.83 -3.53 0.00 -1.26 -0.92 107.32 103.61 3fnr s GLY 291 Ca 0.30 0.95 -0.10 0.00 0.00 0.00 0.00 44.72 45.87 3fnr s GLY 291 CO 0.16 1.39 1.16 -0.51 0.00 0.00 0.00 173.10 175.30 3fnr s THR 292 N -1.57 2.09 0.30 0.90 -4.23 -0.26 -4.87 115.64 108.01 3fnr s THR 292 Ca 0.67 -0.22 -0.01 0.00 -1.18 0.00 0.00 61.69 60.95 3fnr s THR 292 Cb -0.29 -2.88 0.25 0.00 1.34 0.00 0.00 72.50 70.93 3fnr s THR 292 CO 0.34 0.00 1.96 1.88 -0.54 0.00 0.00 174.62 178.26 3fnr h TYR 293 N -1.08 1.00 -0.42 3.99 -1.99 -1.91 -2.18 116.97 114.39 3fnr h TYR 293 Ca -0.42 0.02 -0.01 0.00 2.00 0.00 0.00 58.73 60.31 3fnr h TYR 293 Cb 1.27 -0.33 -0.02 0.00 2.00 0.00 0.00 36.73 39.64 3fnr h TYR 293 CO -0.47 0.64 0.23 1.25 -0.00 0.00 0.00 178.16 179.81 3fnr h LEU 294 N 1.07 0.52 -0.18 3.88 5.85 -1.92 -0.99 115.31 123.53 3fnr h LEU 294 Ca 0.28 -0.09 0.04 0.00 0.84 0.00 0.00 57.88 58.96 3fnr h LEU 294 Cb -0.09 -0.13 -0.05 0.00 0.37 0.00 0.00 40.66 40.76 3fnr h LEU 294 CO -0.06 0.46 -0.11 0.00 -0.34 0.00 0.00 178.44 178.39 3fnr h ALA 295 N 1.08 0.03 -0.89 1.25 0.00 -1.71 0.12 119.26 119.13 3fnr h ALA 295 Ca 0.15 0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.21 3fnr h ALA 295 Cb 0.05 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.03 3fnr h ALA 295 CO -0.02 -0.55 0.55 0.00 0.00 0.00 0.00 179.25 179.23 3fnr h ALA 296 N 1.03 1.27 -0.35 0.00 0.00 -1.22 -1.13 119.26 118.85 3fnr h ALA 296 Ca 0.10 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3fnr h ALA 296 Cb 0.26 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3fnr h ALA 296 CO -0.25 0.24 -0.11 0.22 0.00 0.00 0.00 179.25 179.35 3fnr h ASP 297 N 0.95 0.71 -0.13 0.00 3.58 -0.31 -2.33 116.42 118.89 3fnr h ASP 297 Ca 0.41 -0.38 0.00 0.00 0.42 0.00 0.00 57.03 57.49 3fnr h ASP 297 Cb 0.29 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 41.13 3fnr h ASP 297 CO -0.21 0.93 0.08 0.40 -2.88 0.00 0.00 179.24 177.56 3fnr h ILE 298 N 0.49 1.04 -0.39 2.25 2.04 -0.41 -1.25 117.51 121.28 3fnr h ILE 298 Ca 0.09 -0.08 0.08 0.00 1.00 0.00 0.00 64.86 65.95 3fnr h ILE 298 Cb 0.63 0.86 -0.08 0.00 -0.74 0.00 0.00 36.82 37.49 3fnr h ILE 298 CO 0.04 0.04 -0.13 0.58 0.00 0.00 0.00 178.15 178.68 3fnr h VAL 299 N 0.17 0.55 -0.21 1.67 2.07 -1.19 0.21 116.25 119.51 3fnr h VAL 299 Ca 0.05 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.56 3fnr h VAL 299 Cb -0.01 0.55 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 3fnr h VAL 299 CO -0.01 0.00 0.11 0.22 0.02 0.00 0.00 177.57 177.91 3fnr h TYR 300 N -0.04 0.29 -0.36 1.57 3.20 -1.32 -2.56 116.97 117.75 3fnr h TYR 300 Ca 0.19 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.00 3fnr h TYR 300 Cb 0.33 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.49 3fnr h TYR 300 CO -0.37 0.27 0.01 0.45 -1.64 0.00 0.00 178.16 176.88 3fnr h HIS 301 N 0.23 0.58 -0.41 -3.82 3.86 -0.80 -0.65 115.15 114.13 3fnr h HIS 301 Ca 0.07 -0.06 0.02 0.00 -1.16 0.00 0.00 60.37 59.25 3fnr h HIS 301 Cb 0.07 -0.17 -0.03 0.00 1.06 0.00 0.00 27.41 28.35 3fnr h HIS 301 CO -0.03 0.55 0.23 -0.22 0.86 0.00 0.00 177.93 179.32 3fnr h LYS 302 N 0.53 0.45 0.49 2.45 3.64 -0.42 0.09 116.57 123.81 3fnr h LYS 302 Ca 0.12 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.45 3fnr h LYS 302 Cb 0.32 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 3fnr h LYS 302 CO 0.01 0.30 -0.31 0.22 -2.27 0.00 0.00 179.45 177.40 3fnr h ASP 303 N 0.47 -0.78 -0.80 4.20 3.58 -1.02 -2.80 116.42 119.26 3fnr h ASP 303 Ca 0.17 0.05 0.12 0.00 0.42 0.00 0.00 57.03 57.79 3fnr h ASP 303 Cb 0.04 0.23 -0.08 0.00 1.72 0.00 0.00 39.33 41.23 3fnr h ASP 303 CO -0.09 -0.48 0.41 0.11 -2.88 0.00 0.00 179.24 176.30 3fnr h LYS 304 N -0.77 0.62 0.00 0.28 1.57 -0.87 -2.34 116.57 115.06 3fnr h LYS 304 Ca -0.06 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3fnr h LYS 304 Cb 0.63 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3fnr h LYS 304 CO 0.05 0.41 0.00 -1.33 -0.57 0.00 0.00 179.45 178.01 3fnr n MET 305 N -4.86 0.12 -1.18 3.15 2.81 -0.00 -3.31 117.12 113.85 3fnr n MET 305 Ca 0.15 0.01 -0.14 0.00 -1.81 0.00 0.00 57.70 55.91 3fnr n MET 305 Cb 0.36 -1.50 0.14 0.00 -0.71 0.00 0.00 33.22 31.51 3fnr n MET 305 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3fnr n SER 306 N -1.44 3.80 -0.52 7.83 3.41 -0.88 -4.57 113.62 121.24 3fnr n SER 306 Ca 0.09 -3.78 0.07 0.00 -0.26 0.00 0.00 58.87 54.99 3fnr n SER 306 Cb 0.30 -0.63 0.05 0.00 -0.26 0.00 0.00 64.21 63.67 3fnr n SER 306 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3fnr n ARG 307 N -1.01 1.08 -0.32 4.33 1.74 -1.21 -4.99 116.66 116.28 3fnr n ARG 307 Ca 0.41 -1.25 0.00 0.00 -0.77 0.00 0.00 57.85 56.24 3fnr n ARG 307 Cb 1.00 -1.26 0.00 0.00 -1.02 0.00 0.00 32.46 31.18 3fnr n ARG 307 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3fnr n GLY 308 N 0.82 0.71 3.78 -0.13 0.00 -1.26 -5.07 105.19 104.04 3fnr n GLY 308 Ca 0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.72 3fnr n GLY 308 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3fnr s TYR 309 N -2.48 3.44 0.25 1.61 2.02 -1.26 -4.96 117.35 115.98 3fnr s TYR 309 Ca 0.00 1.69 -0.04 0.00 -0.37 0.00 0.00 57.07 58.35 3fnr s TYR 309 Cb 0.00 -3.12 0.36 0.00 -0.40 0.00 0.00 41.96 38.80 3fnr s TYR 309 CO 0.00 -0.42 1.87 0.78 -1.57 0.00 0.00 175.55 176.21 3fnr h GLY 310 N 2.97 1.41 -5.04 0.71 0.00 -1.55 -3.44 103.07 98.12 3fnr h GLY 310 Ca -0.48 -0.44 -0.15 0.00 0.00 0.00 0.00 47.33 46.27 3fnr h GLY 310 CO 0.64 0.32 -0.38 0.54 0.00 0.00 0.00 176.54 177.65 3fnr s LYS 311 N -6.06 0.43 -0.20 4.80 -0.14 -0.75 -4.90 119.74 112.93 3fnr s LYS 311 Ca -0.13 0.11 -0.07 0.00 -1.36 0.00 0.00 55.97 54.52 3fnr s LYS 311 Cb 0.19 0.20 -0.04 0.00 -1.68 0.00 0.00 37.83 36.50 3fnr s LYS 311 CO 0.80 -0.09 0.06 0.00 -0.76 0.00 0.00 175.35 175.37 3fnr s ILE 313 N 0.68 3.76 0.04 0.00 1.01 0.11 -0.64 121.20 126.17 3fnr s ILE 313 Ca 0.03 -0.41 0.04 0.00 0.00 0.00 0.00 60.65 60.32 3fnr s ILE 313 Cb -0.13 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.67 3fnr s ILE 313 CO 0.02 0.50 -0.06 0.20 0.00 0.00 0.00 174.94 175.60 3fnr s ASN 314 N 0.28 4.66 -0.28 3.58 0.01 -0.32 -1.36 114.94 121.50 3fnr s ASN 314 Ca -0.04 -0.19 -0.02 0.00 -0.71 0.00 0.00 52.86 51.89 3fnr s ASN 314 Cb -0.14 -1.06 0.04 0.00 0.41 0.00 0.00 41.25 40.49 3fnr s ASN 314 CO 0.03 0.25 -0.02 -0.63 -1.51 0.00 0.00 177.10 175.22 3fnr s ILE 315 N -1.09 3.05 0.25 0.60 1.01 -1.20 -0.27 121.20 123.55 3fnr s ILE 315 Ca 0.19 -1.16 0.10 0.00 0.00 0.00 0.00 60.65 59.78 3fnr s ILE 315 Cb -0.11 -2.65 -0.04 0.00 0.01 0.00 0.00 42.46 39.66 3fnr s ILE 315 CO 0.10 0.04 -0.07 0.26 0.00 0.00 0.00 174.94 175.28 3fnr s TRP 316 N 1.31 2.59 0.43 3.97 0.51 -0.06 -4.63 118.94 123.06 3fnr s TRP 316 Ca -0.02 -0.25 -0.24 0.00 -2.12 0.00 0.00 56.10 53.47 3fnr s TRP 316 Cb -0.18 -1.17 -0.08 0.00 -0.81 0.00 0.00 33.47 31.23 3fnr s TRP 316 CO -0.02 0.62 1.21 0.20 -0.51 0.00 0.00 176.95 178.45 3fnr s GLY 317 N -3.44 2.86 0.58 0.98 0.00 -1.26 -0.15 107.32 106.88 3fnr s GLY 317 Ca 0.30 1.05 0.27 0.00 0.00 0.00 0.00 44.72 46.34 3fnr s GLY 317 CO 0.18 1.56 2.21 0.00 0.00 0.00 0.00 173.10 177.05 3fnr h ALA 318 N 2.39 1.66 0.00 3.20 0.00 -1.63 -0.91 119.26 123.97 3fnr h ALA 318 Ca -0.49 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.42 3fnr h ALA 318 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3fnr h ALA 318 CO 0.61 -0.05 0.00 -0.40 0.00 0.00 0.00 179.25 179.41 3fnr n ASP 319 N -3.96 0.00 -2.01 0.00 5.75 -1.26 -2.72 116.55 112.34 3fnr n ASP 319 Ca -0.02 0.00 -0.06 0.00 -0.01 0.00 0.00 54.79 54.70 3fnr n ASP 319 Cb 0.12 -0.28 0.31 0.00 -1.03 0.00 0.00 41.12 40.24 3fnr n ASP 319 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 3fnr n HIS 320 N -1.28 2.46 -0.33 2.11 8.25 -0.35 -4.59 115.22 121.49 3fnr n HIS 320 Ca 0.09 -1.18 -0.03 0.00 -0.26 0.00 0.00 57.72 56.34 3fnr n HIS 320 Cb 0.15 -0.69 0.09 0.00 1.12 0.00 0.00 29.99 30.66 3fnr n HIS 320 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3fnr h HIS 321 N 2.68 1.15 0.00 4.41 2.76 -1.70 -2.84 115.15 121.61 3fnr h HIS 321 Ca 0.26 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.44 3fnr h HIS 321 Cb 2.33 -0.38 0.00 0.00 1.55 0.00 0.00 27.41 30.91 3fnr h HIS 321 CO 1.29 0.76 0.00 0.41 -1.30 0.00 0.00 177.93 179.08 3fnr n GLY 322 N -1.26 -0.84 0.06 5.26 0.00 -1.26 -2.11 105.19 105.03 3fnr n GLY 322 Ca 0.10 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.20 3fnr n GLY 322 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3fnr n TYR 323 N -1.52 0.48 0.12 1.61 4.19 -1.07 -4.37 117.16 116.60 3fnr n TYR 323 Ca 0.02 0.14 -0.13 0.00 3.31 0.00 0.00 57.90 61.24 3fnr n TYR 323 Cb 0.12 -0.60 -0.06 0.00 0.49 0.00 0.00 39.34 39.28 3fnr n TYR 323 CO 0.00 0.00 0.00 0.82 0.91 0.00 0.00 176.86 178.59 3fnr h ILE 324 N 0.00 0.66 -0.68 2.97 2.04 -1.55 -3.16 117.51 117.79 3fnr h ILE 324 Ca 0.00 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.89 3fnr h ILE 324 Cb 0.75 0.66 -0.04 0.00 -0.74 0.00 0.00 36.82 37.45 3fnr h ILE 324 CO 0.00 0.00 0.45 -0.65 0.00 0.00 0.00 178.15 177.95 3fnr h PRO 325 N -0.33 0.81 0.00 2.37 0.11 -1.80 -1.69 132.00 131.47 3fnr h PRO 325 Ca 0.00 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.00 3fnr h PRO 325 Cb 0.32 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 3fnr h PRO 325 CO -0.04 0.54 -0.32 0.07 -0.21 0.00 0.00 178.00 178.03 3fnr h ARG 326 N 0.83 0.00 0.25 1.05 0.11 -1.83 -1.42 114.38 113.37 3fnr h ARG 326 Ca 0.27 0.00 -0.34 0.00 0.10 0.00 0.00 59.98 60.01 3fnr h ARG 326 Cb 0.03 0.00 0.04 0.00 1.11 0.00 0.00 29.97 31.15 3fnr h ARG 326 CO -0.07 0.32 -1.49 1.98 0.10 0.00 0.00 179.97 180.81 3fnr h MET 327 N 0.00 0.52 -0.80 0.08 4.05 -1.30 -2.56 114.93 114.92 3fnr h MET 327 Ca -0.00 -0.89 -0.04 0.00 -0.28 0.00 0.00 59.70 58.49 3fnr h MET 327 Cb 0.77 0.33 -0.04 0.00 -0.80 0.00 0.00 31.60 31.86 3fnr h MET 327 CO 0.04 1.43 0.36 0.87 0.23 0.00 0.00 176.91 179.84 3fnr h LYS 328 N 0.12 1.18 -0.63 0.39 1.79 -1.27 -1.90 116.57 116.25 3fnr h LYS 328 Ca -0.27 -0.19 -0.01 0.00 -2.18 0.00 0.00 60.65 58.00 3fnr h LYS 328 Cb 2.15 -0.20 -0.03 0.00 -1.58 0.00 0.00 32.23 32.57 3fnr h LYS 328 CO 0.26 0.93 0.35 0.00 -1.08 0.00 0.00 179.45 179.91 3fnr h ALA 329 N 1.23 0.81 -0.56 3.86 0.00 -1.32 -1.42 119.26 121.86 3fnr h ALA 329 Ca 0.27 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3fnr h ALA 329 Cb 0.16 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.67 3fnr h ALA 329 CO -0.03 0.32 0.32 0.00 0.00 0.00 0.00 179.25 179.86 3fnr h ALA 330 N 1.17 0.71 -0.35 0.00 0.00 -1.18 -1.73 119.26 117.88 3fnr h ALA 330 Ca 0.22 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3fnr h ALA 330 Cb 0.04 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3fnr h ALA 330 CO -0.04 0.22 -0.12 0.52 0.00 0.00 0.00 179.25 179.83 3fnr h MET 331 N 0.75 0.61 -0.51 0.00 2.07 -1.08 -2.34 114.93 114.43 3fnr h MET 331 Ca 0.20 -0.19 -0.09 0.00 -2.07 0.00 0.00 59.70 57.55 3fnr h MET 331 Cb 0.02 -0.06 -0.02 0.00 -1.87 0.00 0.00 31.60 29.67 3fnr h MET 331 CO -0.03 0.72 -0.02 0.93 1.07 0.00 0.00 176.91 179.57 3fnr h GLU 332 N 0.56 0.89 0.00 1.72 4.39 -1.02 -0.68 114.58 120.43 3fnr h GLU 332 Ca 0.10 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.54 3fnr h GLU 332 Cb 0.54 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.10 3fnr h GLU 332 CO 0.03 0.90 0.00 1.19 -1.16 0.00 0.00 179.01 179.97 3fnr n PHE 333 N -4.19 0.00 0.00 4.33 3.72 -0.67 -2.29 117.46 118.36 3fnr n PHE 333 Ca 0.02 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.43 3fnr n PHE 333 Cb 0.33 0.00 0.01 0.00 -0.94 0.00 0.00 39.48 38.88 3fnr n PHE 333 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3fnr n LEU 334 N -0.59 1.78 0.00 4.37 4.77 -0.86 -4.01 117.00 122.46 3fnr n LEU 334 Ca 0.04 -1.69 0.00 0.00 -0.03 0.00 0.00 56.01 54.34 3fnr n LEU 334 Cb 0.02 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3fnr n LEU 334 CO 0.03 0.44 0.00 0.61 -1.33 0.00 0.00 177.39 177.14 3fnr n GLY 335 N -0.25 0.72 3.86 -0.72 0.00 -0.97 -5.02 105.19 102.81 3fnr n GLY 335 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 3fnr n GLY 335 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3fnr s PHE 336 N -2.81 3.41 -0.37 1.61 2.99 -0.32 -5.00 117.98 117.48 3fnr s PHE 336 Ca 0.00 1.13 -0.26 0.00 0.00 0.00 0.00 56.93 57.80 3fnr s PHE 336 Cb 0.00 -2.48 0.02 0.00 0.00 0.00 0.00 43.02 40.56 3fnr s PHE 336 CO 0.00 0.04 0.94 0.34 -0.00 0.00 0.00 175.22 176.54 3fnr s ASP 337 N -2.59 6.69 0.16 1.36 2.15 -1.26 -3.81 116.67 119.37 3fnr s ASP 337 Ca 0.53 0.61 0.20 0.00 0.43 0.00 0.00 52.55 54.31 3fnr s ASP 337 Cb -0.10 -2.47 0.83 0.00 -0.30 0.00 0.00 42.92 40.88 3fnr s ASP 337 CO 0.22 -0.87 1.61 -1.54 -0.17 0.00 0.00 175.17 174.42 3fnr n SER 338 N 6.80 0.40 0.15 -0.34 3.41 -1.26 -1.56 113.62 121.22 3fnr n SER 338 Ca 0.07 0.60 0.12 0.00 -0.26 0.00 0.00 58.87 59.41 3fnr n SER 338 Cb 0.48 -0.69 0.53 0.00 -0.26 0.00 0.00 64.21 64.28 3fnr n SER 338 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3fnr h ASN 339 N 0.00 0.00 -0.05 4.04 2.35 -1.96 -2.28 115.58 117.69 3fnr h ASN 339 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3fnr h ASN 339 Cb 0.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.68 3fnr h ASN 339 CO 0.00 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 176.37 3fnr n ASN 340 N -2.30 1.02 -4.30 5.81 3.02 -0.60 -4.57 115.26 113.34 3fnr n ASN 340 Ca 0.01 -1.43 -0.38 0.00 -0.03 0.00 0.00 54.58 52.75 3fnr n ASN 340 Cb 0.19 -0.03 -0.12 0.00 -0.61 0.00 0.00 39.78 39.21 3fnr n ASN 340 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3fnr s LEU 341 N -1.84 4.33 -0.29 3.41 2.96 -0.86 -0.75 118.68 125.64 3fnr s LEU 341 Ca 0.38 -1.07 -0.10 0.00 -0.22 0.00 0.00 54.13 53.12 3fnr s LEU 341 Cb 0.19 -1.89 -0.02 0.00 0.50 0.00 0.00 46.19 44.96 3fnr s LEU 341 CO 0.31 -0.32 0.15 -0.70 -1.32 0.00 0.00 176.35 174.47 3fnr s GLU 342 N 1.44 3.58 -0.29 1.98 2.12 0.19 -5.01 118.70 122.71 3fnr s GLU 342 Ca -0.01 -0.55 -0.12 0.00 0.36 0.00 0.00 54.97 54.65 3fnr s GLU 342 Cb -0.19 -3.56 -0.04 0.00 0.26 0.00 0.00 34.13 30.60 3fnr s GLU 342 CO 0.03 -0.31 0.22 0.42 -0.54 0.00 0.00 175.26 175.09 3fnr s ILE 343 N 1.66 5.29 -0.21 -3.70 -1.09 -1.26 -1.18 121.20 120.71 3fnr s ILE 343 Ca 0.06 0.16 -0.09 0.00 -2.23 0.00 0.00 60.65 58.55 3fnr s ILE 343 Cb -0.16 -3.57 -0.05 0.00 -1.58 0.00 0.00 42.46 37.10 3fnr s ILE 343 CO 0.07 0.20 0.12 -0.63 -1.23 0.00 0.00 174.94 173.48 3fnr s ILE 344 N 1.79 5.18 -0.25 2.92 1.01 0.62 -4.98 121.20 127.49 3fnr s ILE 344 Ca 0.08 0.11 -0.10 0.00 0.00 0.00 0.00 60.65 60.74 3fnr s ILE 344 Cb -0.16 -3.38 -0.05 0.00 0.01 0.00 0.00 42.46 38.88 3fnr s ILE 344 CO 0.11 0.41 0.16 -0.76 0.00 0.00 0.00 174.94 174.86 3fnr s LEU 345 N 0.67 4.02 -0.31 2.97 1.43 -1.26 -0.88 118.68 125.31 3fnr s LEU 345 Ca 0.06 0.04 -0.17 0.00 -1.03 0.00 0.00 54.13 53.04 3fnr s LEU 345 Cb -0.12 -2.09 -0.02 0.00 0.03 0.00 0.00 46.19 43.99 3fnr s LEU 345 CO 0.01 0.02 0.46 0.00 0.23 0.00 0.00 176.35 177.08 3fnr s ALA 346 N 1.33 3.52 0.68 4.21 0.00 0.78 -3.48 121.76 128.81 3fnr s ALA 346 Ca 0.07 -0.90 -0.11 0.00 0.00 0.00 0.00 51.96 51.02 3fnr s ALA 346 Cb -0.14 -2.90 0.01 0.00 0.00 0.00 0.00 23.12 20.08 3fnr s ALA 346 CO 0.07 -0.97 1.07 -0.65 0.00 0.00 0.00 175.76 175.27 3fnr s GLN 347 N 2.26 2.96 0.44 0.00 -1.52 0.35 -1.64 119.66 122.50 3fnr s GLN 347 Ca 0.18 0.45 -0.25 0.00 -1.95 0.00 0.00 55.36 53.79 3fnr s GLN 347 Cb -0.16 -2.05 -0.09 0.00 -0.22 0.00 0.00 33.01 30.49 3fnr s GLN 347 CO 0.11 -0.94 1.30 -0.12 -0.25 0.00 0.00 175.29 175.39 3fnr n MET 348 N -2.93 1.95 -4.89 2.91 0.00 -1.26 -4.88 117.12 108.01 3fnr n MET 348 Ca 0.07 0.70 -0.33 0.00 0.00 0.00 0.00 57.70 58.14 3fnr n MET 348 Cb 0.57 -2.43 -0.14 0.00 0.00 0.00 0.00 33.22 31.22 3fnr n MET 348 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 3fnr s VAL 349 N -1.21 2.89 -0.28 1.12 1.01 -1.26 -3.06 120.40 119.61 3fnr s VAL 349 Ca 0.62 -0.75 -0.09 0.00 0.00 0.00 0.00 61.98 61.76 3fnr s VAL 349 Cb -0.49 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 3fnr s VAL 349 CO 0.57 0.55 0.14 -0.44 0.00 0.00 0.00 175.10 175.92 3fnr s SER 350 N -0.05 5.57 -0.15 3.32 0.01 0.70 -5.00 113.70 118.10 3fnr s SER 350 Ca -0.04 -0.20 -0.10 0.00 1.31 0.00 0.00 55.95 56.92 3fnr s SER 350 Cb -0.14 -2.02 -0.05 0.00 0.21 0.00 0.00 66.02 64.02 3fnr s SER 350 CO 0.04 -0.08 0.19 -0.76 0.41 0.00 0.00 173.24 173.04 3fnr s LEU 351 N 1.67 4.29 0.12 2.44 1.43 -1.26 -1.63 118.68 125.74 3fnr s LEU 351 Ca 0.06 0.42 0.10 0.00 -1.03 0.00 0.00 54.13 53.68 3fnr s LEU 351 Cb -0.16 -2.18 -0.04 0.00 0.03 0.00 0.00 46.19 43.84 3fnr s LEU 351 CO 0.07 0.25 -0.24 -0.76 0.23 0.00 0.00 176.35 175.90 3fnr s LEU 352 N -0.17 2.31 -0.07 1.79 1.43 0.35 -0.74 118.68 123.58 3fnr s LEU 352 Ca 0.13 -0.73 -0.01 0.00 -1.03 0.00 0.00 54.13 52.50 3fnr s LEU 352 Cb -0.12 -1.07 0.03 0.00 0.03 0.00 0.00 46.19 45.06 3fnr s LEU 352 CO 0.02 0.12 0.00 -0.75 0.23 0.00 0.00 176.35 175.98 3fnr s LYS 353 N -2.01 0.57 -1.71 1.70 2.20 0.49 -0.57 119.74 120.41 3fnr s LYS 353 Ca 0.11 0.10 -0.02 0.00 -0.36 0.00 0.00 55.97 55.81 3fnr s LYS 353 Cb -0.10 -0.91 0.00 0.00 -1.51 0.00 0.00 37.83 35.31 3fnr s LYS 353 CO 0.05 -0.28 0.20 -0.25 -0.36 0.00 0.00 175.35 174.72 3fnr n ASP 354 N 5.01 -5.97 0.00 1.43 10.43 -1.26 -2.32 116.55 123.87 3fnr n ASP 354 Ca -0.09 -0.10 0.00 0.00 2.57 0.00 0.00 54.79 57.16 3fnr n ASP 354 Cb 0.50 -4.92 0.00 0.00 1.84 0.00 0.00 41.12 38.54 3fnr n ASP 354 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3fnr n GLY 355 N -1.18 1.67 3.73 0.44 0.00 -1.26 -5.04 105.19 103.55 3fnr n GLY 355 Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 3fnr n GLY 355 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3fnr s GLU 356 N -0.47 2.95 0.22 1.61 2.12 -0.98 -5.06 118.70 119.08 3fnr s GLU 356 Ca 0.00 -0.52 -0.32 0.00 0.36 0.00 0.00 54.97 54.50 3fnr s GLU 356 Cb 0.00 -2.78 -0.14 0.00 0.26 0.00 0.00 34.13 31.47 3fnr s GLU 356 CO 0.00 0.65 1.30 -0.35 -0.54 0.00 0.00 175.26 176.32 3fnr n PRO 357 N 1.43 1.69 -1.73 4.30 -0.04 -1.26 -0.38 135.00 139.01 3fnr n PRO 357 Ca -0.15 0.60 -0.42 0.00 -0.04 0.00 0.00 63.50 63.49 3fnr n PRO 357 Cb 0.53 -2.19 -0.01 0.00 -0.04 0.00 0.00 33.50 31.79 3fnr n PRO 357 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 3fnr n TYR 358 N 1.67 2.67 -3.40 0.54 9.36 0.08 -4.71 117.16 123.37 3fnr n TYR 358 Ca 0.13 0.42 -0.04 0.00 3.32 0.00 0.00 57.90 61.72 3fnr n TYR 358 Cb 0.29 -2.51 0.01 0.00 -0.63 0.00 0.00 39.34 36.50 3fnr n TYR 358 CO 0.00 0.00 0.00 0.36 0.22 0.00 0.00 176.86 177.44 3fnr n LYS 359 N 1.11 0.54 0.00 2.98 2.85 -1.26 -5.01 118.16 119.37 3fnr n LYS 359 Ca 0.05 -1.09 0.00 0.00 -1.05 0.00 0.00 58.31 56.22 3fnr n LYS 359 Cb 0.37 1.34 0.00 0.00 -0.65 0.00 0.00 35.03 36.09 3fnr n LYS 359 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3fnr n MET 360 N -0.26 0.00 -1.99 -1.58 0.00 -1.26 -5.15 117.12 106.88 3fnr n MET 360 Ca -0.04 0.00 -0.16 0.00 0.00 0.00 0.00 57.70 57.50 3fnr n MET 360 Cb 0.29 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.48 3fnr n MET 360 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3fnr n ALA 364 N -3.00 -0.38 0.00 3.17 0.00 -1.26 -5.19 120.51 113.85 3fnr n ALA 364 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.61 3fnr n ALA 364 Cb 0.00 -1.73 0.00 0.00 0.00 0.00 0.00 19.45 17.72 3fnr n ALA 364 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fnr n GLY 365 N -1.03 3.44 0.71 0.00 0.00 -1.26 -2.57 105.19 104.47 3fnr n GLY 365 Ca -0.17 -0.82 0.12 0.00 0.00 0.00 0.00 46.02 45.14 3fnr n GLY 365 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3fnr n ASN 366 N 0.00 2.18 -4.24 1.61 5.15 -1.26 -4.90 115.26 113.80 3fnr n ASN 366 Ca 0.00 -1.74 -0.22 0.00 -0.60 0.00 0.00 54.58 52.02 3fnr n ASN 366 Cb 0.00 -0.06 -0.13 0.00 -0.53 0.00 0.00 39.78 39.06 3fnr n ASN 366 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 3fnr s PHE 367 N -1.88 1.59 -0.05 1.20 0.08 -1.26 -5.13 117.98 112.54 3fnr s PHE 367 Ca 0.34 -0.42 -0.27 0.00 0.12 0.00 0.00 56.93 56.70 3fnr s PHE 367 Cb 0.20 -0.89 -0.03 0.00 -0.57 0.00 0.00 43.02 41.73 3fnr s PHE 367 CO 0.31 0.14 0.85 0.42 -0.10 0.00 0.00 175.22 176.84 3fnr s ILE 368 N -1.14 4.94 -0.00 0.64 1.01 -1.26 -5.03 121.20 120.35 3fnr s ILE 368 Ca 0.04 1.77 -0.15 0.00 0.00 0.00 0.00 60.65 62.31 3fnr s ILE 368 Cb -0.10 -4.19 -0.06 0.00 0.01 0.00 0.00 42.46 38.13 3fnr s ILE 368 CO 0.03 0.18 0.41 -0.76 0.00 0.00 0.00 174.94 174.80 3fnr s LEU 369 N 1.07 4.47 0.27 2.97 1.02 -1.26 -1.03 118.68 126.19 3fnr s LEU 369 Ca 0.45 0.96 -0.01 0.00 0.02 0.00 0.00 54.13 55.55 3fnr s LEU 369 Cb -0.19 -2.58 0.53 0.00 0.02 0.00 0.00 46.19 43.97 3fnr s LEU 369 CO 0.22 0.32 1.79 -0.03 0.02 0.00 0.00 176.35 178.67 3fnr h MET 370 N 4.77 0.72 -0.67 1.70 1.85 -1.24 -2.04 114.93 120.01 3fnr h MET 370 Ca -0.51 -0.04 0.08 0.00 -0.61 0.00 0.00 59.70 58.62 3fnr h MET 370 Cb 1.22 -0.16 -0.07 0.00 0.43 0.00 0.00 31.60 33.02 3fnr h MET 370 CO 0.62 0.48 0.33 1.03 -0.40 0.00 0.00 176.91 178.97 3fnr h SER 371 N 0.75 0.43 -0.55 1.39 0.87 -1.91 -1.45 113.55 113.08 3fnr h SER 371 Ca 0.47 0.06 -0.08 0.00 -1.23 0.00 0.00 61.79 61.01 3fnr h SER 371 Cb 0.59 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 62.51 3fnr h SER 371 CO -0.32 0.26 0.05 0.44 -0.53 0.00 0.00 176.83 176.72 3fnr h ASP 372 N 0.58 0.91 -0.38 6.23 3.45 -1.76 -1.04 116.42 124.40 3fnr h ASP 372 Ca 0.32 -0.28 -0.06 0.00 0.43 0.00 0.00 57.03 57.44 3fnr h ASP 372 Cb 0.32 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 38.83 3fnr h ASP 372 CO -0.25 0.96 0.02 0.58 -1.57 0.00 0.00 179.24 178.98 3fnr h VAL 373 N 0.82 1.25 -0.33 -1.35 2.07 -1.24 -2.12 116.25 115.35 3fnr h VAL 373 Ca 0.16 -0.95 -0.06 0.00 0.82 0.00 0.00 66.70 66.66 3fnr h VAL 373 Cb 0.47 1.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 3fnr h VAL 373 CO 0.02 0.32 -0.06 0.58 0.02 0.00 0.00 177.57 178.46 3fnr h VAL 374 N 0.49 1.22 -0.93 2.57 2.07 -1.18 0.14 116.25 120.63 3fnr h VAL 374 Ca 0.11 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.72 3fnr h VAL 374 Cb 0.44 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 3fnr h VAL 374 CO 0.02 0.31 0.57 0.44 0.02 0.00 0.00 177.57 178.92 3fnr h ASP 375 N 0.51 1.10 0.00 0.57 3.32 -0.99 0.08 116.42 121.02 3fnr h ASP 375 Ca 0.10 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 3fnr h ASP 375 Cb 0.42 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 3fnr h ASP 375 CO 0.02 0.84 -0.01 -0.08 -1.72 0.00 0.00 179.24 178.28 3fnr h GLU 376 N 1.27 0.00 0.00 3.56 4.81 -0.75 -3.40 114.58 120.07 3fnr h GLU 376 Ca 0.33 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.56 3fnr h GLU 376 Cb -0.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.31 3fnr h GLU 376 CO -0.06 0.98 -1.56 0.44 -0.73 0.00 0.00 179.01 178.07 3fnr n ILE 377 N -4.61 0.03 0.00 2.32 -5.35 0.44 -5.10 119.36 107.09 3fnr n ILE 377 Ca -0.10 -0.32 0.00 0.00 -0.27 0.00 0.00 62.75 62.06 3fnr n ILE 377 Cb 0.47 0.33 0.00 0.00 -1.74 0.00 0.00 39.64 38.70 3fnr n ILE 377 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3fnr n GLY 378 N 1.34 -1.29 0.14 3.28 0.00 0.02 -4.42 105.19 104.26 3fnr n GLY 378 Ca -0.01 -1.55 -0.11 0.00 0.00 0.00 0.00 46.02 44.36 3fnr n GLY 378 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3fnr h SER 379 N 0.00 0.35 -0.69 1.61 0.87 -1.84 -2.80 113.55 111.04 3fnr h SER 379 Ca 0.00 -0.20 0.08 0.00 -1.23 0.00 0.00 61.79 60.44 3fnr h SER 379 Cb 0.00 -0.09 -0.07 0.00 -0.44 0.00 0.00 62.40 61.80 3fnr h SER 379 CO 0.00 0.46 0.36 0.44 -0.53 0.00 0.00 176.83 177.56 3fnr h ASP 380 N 0.22 0.49 -0.45 6.23 3.32 -1.89 0.11 116.42 124.44 3fnr h ASP 380 Ca 0.08 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.14 3fnr h ASP 380 Cb 0.23 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 39.73 3fnr h ASP 380 CO -0.00 0.30 0.14 0.00 -1.72 0.00 0.00 179.24 177.96 3fnr h ALA 381 N 1.40 0.60 -0.27 3.45 0.00 -1.75 -0.55 119.26 122.13 3fnr h ALA 381 Ca 0.33 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3fnr h ALA 381 Cb 0.30 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3fnr h ALA 381 CO -0.24 0.24 0.18 1.25 0.00 0.00 0.00 179.25 180.68 3fnr h LEU 382 N 0.60 0.30 -1.80 0.00 5.85 -1.15 0.27 115.31 119.38 3fnr h LEU 382 Ca 0.15 -0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 3fnr h LEU 382 Cb 0.26 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.21 3fnr h LEU 382 CO -0.01 0.22 -0.15 0.03 -0.34 0.00 0.00 178.44 178.19 3fnr h ARG 383 N 0.36 0.00 0.00 1.25 2.47 -0.74 -2.04 114.38 115.68 3fnr h ARG 383 Ca 0.10 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.81 3fnr h ARG 383 Cb -0.03 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.29 3fnr h ARG 383 CO -0.03 0.15 -0.13 -0.92 0.56 0.00 0.00 179.97 179.60 3fnr h TYR 384 N 0.00 0.00 -0.51 3.04 5.03 -0.58 -3.34 116.97 120.62 3fnr h TYR 384 Ca -0.00 0.00 0.06 0.00 2.58 0.00 0.00 58.73 61.37 3fnr h TYR 384 Cb 0.33 0.00 -0.05 0.00 1.55 0.00 0.00 36.73 38.55 3fnr h TYR 384 CO 0.00 0.23 0.20 0.82 -1.32 0.00 0.00 178.16 178.09 3fnr h ILE 385 N -1.00 0.87 0.00 1.81 2.04 -0.94 -2.11 117.51 118.17 3fnr h ILE 385 Ca -0.01 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.71 3fnr h ILE 385 Cb 0.30 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 3fnr h ILE 385 CO -0.01 0.07 0.00 0.49 0.00 0.00 0.00 178.15 178.70 3fnr n PHE 386 N -4.97 0.00 0.72 1.37 3.72 -0.77 -2.20 117.46 115.33 3fnr n PHE 386 Ca 0.05 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.53 3fnr n PHE 386 Cb 0.18 -0.31 -0.05 0.00 -0.94 0.00 0.00 39.48 38.37 3fnr n PHE 386 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 3fnr n LEU 387 N -1.31 1.14 -0.00 4.37 7.94 -0.83 -4.69 117.00 123.62 3fnr n LEU 387 Ca 0.11 -0.62 0.14 0.00 -1.11 0.00 0.00 56.01 54.53 3fnr n LEU 387 Cb 0.21 0.00 0.62 0.00 0.53 0.00 0.00 43.42 44.77 3fnr n LEU 387 CO 0.19 0.24 0.94 -1.54 -1.11 0.00 0.00 177.39 176.11 3fnr n SER 388 N -0.80 0.04 -4.00 1.96 3.41 -0.93 -3.52 113.62 109.77 3fnr n SER 388 Ca 0.05 0.34 -0.11 0.00 -0.26 0.00 0.00 58.87 58.89 3fnr n SER 388 Cb 0.29 -0.41 -0.12 0.00 -0.26 0.00 0.00 64.21 63.71 3fnr n SER 388 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3fnr s LYS 389 N -2.93 0.38 0.06 4.33 2.47 -1.26 -4.91 119.74 117.87 3fnr s LYS 389 Ca 0.16 -0.59 -0.37 0.00 -1.56 0.00 0.00 55.97 53.61 3fnr s LYS 389 Cb 0.19 -0.09 -0.19 0.00 -1.46 0.00 0.00 37.83 36.29 3fnr s LYS 389 CO 0.53 0.00 1.00 1.17 0.16 0.00 0.00 175.35 178.22 3fnr n LYS 390 N 1.75 0.19 -0.25 4.03 4.81 -1.26 -4.83 118.16 122.61 3fnr n LYS 390 Ca -0.22 0.07 0.03 0.00 -0.87 0.00 0.00 58.31 57.33 3fnr n LYS 390 Cb 0.55 -1.49 0.26 0.00 0.02 0.00 0.00 35.03 34.37 3fnr n LYS 390 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3fnr n ASP 392 N -4.46 3.50 -4.48 0.00 3.85 -1.23 -0.50 116.55 113.24 3fnr n ASP 392 Ca 0.11 -2.37 -0.30 0.00 -0.71 0.00 0.00 54.79 51.53 3fnr n ASP 392 Cb 0.15 -0.50 -0.12 0.00 -1.35 0.00 0.00 41.12 39.30 3fnr n ASP 392 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 3fnr s THR 393 N -1.84 2.84 0.23 2.12 -4.23 -0.46 -4.82 115.64 109.48 3fnr s THR 393 Ca 0.34 -1.37 -0.30 0.00 -1.18 0.00 0.00 61.69 59.19 3fnr s THR 393 Cb 0.23 -2.26 -0.09 0.00 1.34 0.00 0.00 72.50 71.72 3fnr s THR 393 CO 0.15 0.20 1.35 -2.28 -0.54 0.00 0.00 174.62 173.49 3fnr s HIS 394 N -1.06 3.17 -0.16 3.99 2.46 -1.26 -4.69 115.29 117.73 3fnr s HIS 394 Ca 0.17 1.18 -0.01 0.00 0.47 0.00 0.00 55.06 56.86 3fnr s HIS 394 Cb -0.11 -3.68 -0.01 0.00 -0.13 0.00 0.00 32.58 28.66 3fnr s HIS 394 CO 0.08 -2.12 -0.11 -1.17 -2.47 0.00 0.00 174.74 168.96 3fnr s LEU 395 N -0.37 2.74 -0.09 8.88 1.98 -1.17 -5.04 118.68 125.61 3fnr s LEU 395 Ca 0.57 -0.37 0.04 0.00 -2.89 0.00 0.00 54.13 51.47 3fnr s LEU 395 Cb -0.38 -1.65 0.00 0.00 0.66 0.00 0.00 46.19 44.82 3fnr s LEU 395 CO 0.41 0.09 -0.22 -0.70 -1.89 0.00 0.00 176.35 174.05 3fnr s GLU 396 N 0.80 2.78 -0.04 1.98 2.12 -1.26 -0.22 118.70 124.86 3fnr s GLU 396 Ca -0.04 -0.79 -0.03 0.00 0.36 0.00 0.00 54.97 54.48 3fnr s GLU 396 Cb -0.15 -2.12 0.02 0.00 0.26 0.00 0.00 34.13 32.14 3fnr s GLU 396 CO 0.01 0.15 0.10 0.12 -0.54 0.00 0.00 175.26 175.11 3fnr s PHE 397 N 0.40 -0.11 -0.29 5.30 5.36 -0.65 -4.99 117.98 123.01 3fnr s PHE 397 Ca -0.18 0.32 -0.13 0.00 -0.96 0.00 0.00 56.93 55.97 3fnr s PHE 397 Cb -0.18 -0.03 -0.04 0.00 -0.34 0.00 0.00 43.02 42.43 3fnr s PHE 397 CO 0.08 -0.09 0.30 0.34 -1.46 0.00 0.00 175.22 174.38 3fnr s ASP 398 N 0.53 6.15 0.00 6.13 -1.08 -1.26 -0.50 116.67 126.64 3fnr s ASP 398 Ca -0.04 0.06 0.18 0.00 -0.52 0.00 0.00 52.55 52.23 3fnr s ASP 398 Cb -0.06 -2.17 0.81 0.00 -1.46 0.00 0.00 42.92 40.04 3fnr s ASP 398 CO -0.02 -0.16 1.57 2.30 0.52 0.00 0.00 175.17 179.38 3fnr n ILE 399 N 5.12 0.69 0.40 4.11 -5.35 0.26 -2.50 119.36 122.09 3fnr n ILE 399 Ca -0.11 0.17 0.13 0.00 -0.27 0.00 0.00 62.75 62.68 3fnr n ILE 399 Cb 0.51 -0.87 0.49 0.00 -1.74 0.00 0.00 39.64 38.03 3fnr n ILE 399 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 3fnr h SER 400 N 0.00 0.00 0.57 7.28 0.02 -1.94 -2.93 113.55 116.55 3fnr h SER 400 Ca 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.94 3fnr h SER 400 Cb 0.28 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.81 3fnr h SER 400 CO 0.00 0.00 -0.07 0.44 -1.14 0.00 0.00 176.83 176.06 3fnr h ASP 401 N 0.00 0.00 0.00 3.07 3.45 -1.86 -2.68 116.42 118.40 3fnr h ASP 401 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3fnr h ASP 401 Cb 0.54 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.31 3fnr h ASP 401 CO 0.00 0.07 0.00 0.18 -1.57 0.00 0.00 179.24 177.92 3fnr n LEU 402 N -3.32 0.00 0.04 1.55 4.77 -1.11 -2.48 117.00 116.45 3fnr n LEU 402 Ca -0.01 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.99 3fnr n LEU 402 Cb 0.25 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.26 3fnr n LEU 402 CO 0.27 0.00 -0.29 0.00 -1.33 0.00 0.00 177.39 176.05 3fnr n GLN 403 N -0.90 0.62 -1.94 3.23 1.13 -1.01 -4.94 117.38 113.57 3fnr n GLN 403 Ca 0.18 0.18 -0.34 0.00 -1.94 0.00 0.00 57.00 55.09 3fnr n GLN 403 Cb 0.08 -1.79 0.03 0.00 0.11 0.00 0.00 30.24 28.67 3fnr n GLN 403 CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3fnr s LYS 404 N -3.01 3.02 -0.51 -1.09 -0.14 -1.04 -5.01 119.74 111.97 3fnr s LYS 404 Ca -0.03 1.43 0.06 0.00 -1.36 0.00 0.00 55.97 56.08 3fnr s LYS 404 Cb 0.09 -1.98 0.37 0.00 -1.68 0.00 0.00 37.83 34.63 3fnr s LYS 404 CO 0.81 -1.08 0.96 0.39 -0.76 0.00 0.00 175.35 175.67 3fnr n GLU 405 N -2.05 2.93 0.00 1.68 1.02 -1.26 -4.65 120.64 118.31 3fnr n GLU 405 Ca 0.11 -4.53 0.00 0.00 -0.02 0.00 0.00 57.16 52.72 3fnr n GLU 405 Cb 0.52 -2.13 0.00 0.00 -0.02 0.00 0.00 31.44 29.81 3fnr n GLU 405 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3fnr n ASP 406 N -0.24 0.00 0.24 1.62 5.75 -1.26 -5.01 116.55 117.66 3fnr n ASP 406 Ca 0.31 0.00 0.07 0.00 -0.01 0.00 0.00 54.79 55.17 3fnr n ASP 406 Cb 0.51 0.00 0.60 0.00 -1.03 0.00 0.00 41.12 41.20 3fnr n ASP 406 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 3fnr h SER 407 N 0.00 0.00 1.50 -1.12 0.02 -1.99 -2.91 113.55 109.06 3fnr h SER 407 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3fnr h SER 407 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3fnr h SER 407 CO 0.00 0.10 0.00 0.77 -1.14 0.00 0.00 176.83 176.56 3fnr h SER 408 N 0.00 0.00 -3.94 3.07 4.64 -1.95 -3.35 113.55 112.02 3fnr h SER 408 Ca -0.00 0.00 -0.75 0.00 -0.47 0.00 0.00 61.79 60.57 3fnr h SER 408 Cb 0.18 0.00 -0.30 0.00 -0.31 0.00 0.00 62.40 61.97 3fnr h SER 408 CO 0.01 0.00 -0.12 0.21 -0.87 0.00 0.00 176.83 176.07 3fnr s ASN 409 N -5.54 6.07 0.33 4.97 2.47 -1.10 -4.85 114.94 117.29 3fnr s ASN 409 Ca 0.06 -2.73 0.05 0.00 0.42 0.00 0.00 52.86 50.65 3fnr s ASN 409 Cb 0.08 -2.05 0.57 0.00 -1.45 0.00 0.00 41.25 38.39 3fnr s ASN 409 CO 0.59 -0.49 1.82 -0.65 -3.72 0.00 0.00 177.10 174.66 3fnr h PRO 410 N 7.48 0.45 -0.40 0.43 0.11 -1.80 -0.99 132.00 137.27 3fnr h PRO 410 Ca 0.04 -0.12 -0.01 0.00 0.11 0.00 0.00 66.00 66.02 3fnr h PRO 410 Cb 1.00 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.04 3fnr h PRO 410 CO 0.74 0.57 0.22 0.28 -0.21 0.00 0.00 178.00 179.60 3fnr h VAL 411 N 0.41 1.16 0.15 3.15 2.07 -1.93 0.67 116.25 121.92 3fnr h VAL 411 Ca 0.08 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.18 3fnr h VAL 411 Cb 0.47 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 30.92 3fnr h VAL 411 CO 0.03 0.16 -0.10 0.22 0.02 0.00 0.00 177.57 177.90 3fnr h TYR 412 N 0.52 -0.26 -0.62 1.57 5.03 -1.77 -1.60 116.97 119.84 3fnr h TYR 412 Ca 0.14 -0.00 -0.03 0.00 2.58 0.00 0.00 58.73 61.42 3fnr h TYR 412 Cb 0.07 0.09 -0.03 0.00 1.55 0.00 0.00 36.73 38.41 3fnr h TYR 412 CO -0.02 -0.16 0.28 -0.92 -1.32 0.00 0.00 178.16 176.02 3fnr h TYR 413 N -0.25 0.91 -0.12 -3.82 -0.00 -0.95 0.55 116.97 113.30 3fnr h TYR 413 Ca -0.01 -0.05 -0.04 0.00 -0.00 0.00 0.00 58.73 58.63 3fnr h TYR 413 Cb 0.21 -0.28 -0.00 0.00 -0.00 0.00 0.00 36.73 36.66 3fnr h TYR 413 CO -0.09 0.70 -0.08 0.82 -0.00 0.00 0.00 178.16 179.50 3fnr h ILE 414 N 0.85 1.34 -0.84 1.81 2.04 -0.88 -2.38 117.51 119.44 3fnr h ILE 414 Ca 0.21 -1.17 0.04 0.00 1.00 0.00 0.00 64.86 64.94 3fnr h ILE 414 Cb 0.15 1.85 -0.05 0.00 -0.74 0.00 0.00 36.82 38.03 3fnr h ILE 414 CO -0.02 0.34 0.55 0.78 0.00 0.00 0.00 178.15 179.80 3fnr h ASN 415 N -0.11 0.90 -0.91 1.72 2.35 -0.95 -2.35 115.58 116.22 3fnr h ASN 415 Ca 0.02 -0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 3fnr h ASN 415 Cb 0.57 -0.21 -0.04 0.00 0.05 0.00 0.00 38.32 38.69 3fnr h ASN 415 CO 0.02 0.62 0.54 0.22 -1.65 0.00 0.00 177.43 177.18 3fnr h TYR 416 N 1.04 1.22 -0.16 1.19 3.20 0.25 0.66 116.97 124.37 3fnr h TYR 416 Ca 0.34 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.22 3fnr h TYR 416 Cb 0.04 -0.40 -0.03 0.00 1.54 0.00 0.00 36.73 37.89 3fnr h TYR 416 CO -0.00 0.82 0.00 0.00 -1.64 0.00 0.00 178.16 177.34 3fnr h ALA 417 N 1.32 0.14 -0.45 1.82 0.00 -0.90 0.99 119.26 122.19 3fnr h ALA 417 Ca 0.33 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 3fnr h ALA 417 Cb -0.03 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3fnr h ALA 417 CO -0.06 -0.44 0.22 1.25 0.00 0.00 0.00 179.25 180.22 3fnr h HIS 418 N 0.06 0.64 -0.50 0.00 -0.00 -1.17 -2.49 115.15 111.69 3fnr h HIS 418 Ca 0.08 -0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 60.32 3fnr h HIS 418 Cb 0.09 -0.20 -0.02 0.00 -0.00 0.00 0.00 27.41 27.28 3fnr h HIS 418 CO -0.16 0.51 -0.07 0.00 -0.00 0.00 0.00 177.93 178.22 3fnr h ALA 419 N 1.07 0.95 -0.80 5.26 0.00 -0.73 -2.28 119.26 122.73 3fnr h ALA 419 Ca 0.15 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3fnr h ALA 419 Cb 0.11 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 3fnr h ALA 419 CO -0.02 0.62 0.46 -0.09 0.00 0.00 0.00 179.25 180.22 3fnr h ARG 420 N 0.80 1.09 -0.25 0.00 2.43 -0.62 -0.97 114.38 116.85 3fnr h ARG 420 Ca 0.14 -0.11 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 3fnr h ARG 420 Cb 0.57 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 3fnr h ARG 420 CO 0.03 0.78 -0.03 0.82 -1.51 0.00 0.00 179.97 180.06 3fnr h ILE 421 N 1.10 1.27 -0.99 1.20 2.04 -1.27 -2.03 117.51 118.83 3fnr h ILE 421 Ca 0.28 -1.00 0.04 0.00 1.00 0.00 0.00 64.86 65.19 3fnr h ILE 421 Cb -0.01 1.42 -0.06 0.00 -0.74 0.00 0.00 36.82 37.42 3fnr h ILE 421 CO -0.05 0.31 0.65 -0.74 0.00 0.00 0.00 178.15 178.32 3fnr h HIS 422 N 0.22 1.21 -0.23 1.37 2.76 -1.04 -2.52 115.15 116.92 3fnr h HIS 422 Ca 0.07 0.03 -0.19 0.00 -2.20 0.00 0.00 60.37 58.07 3fnr h HIS 422 Cb 0.48 -0.40 0.00 0.00 1.55 0.00 0.00 27.41 29.04 3fnr h HIS 422 CO 0.04 0.68 -0.62 1.96 -1.30 0.00 0.00 177.93 178.69 3fnr h GLN 423 N 1.23 0.80 -0.12 5.26 7.50 -1.12 -2.83 115.11 125.83 3fnr h GLN 423 Ca 0.40 -0.55 -0.06 0.00 0.50 0.00 0.00 58.65 58.94 3fnr h GLN 423 Cb 0.04 0.08 -0.01 0.00 0.05 0.00 0.00 27.48 27.65 3fnr h GLN 423 CO -0.14 1.18 -0.21 -0.24 -1.50 0.00 0.00 178.83 177.92 3fnr h VAL 424 N 0.59 1.21 -0.20 -0.54 3.04 -1.17 0.43 116.25 119.61 3fnr h VAL 424 Ca -0.01 -0.97 -0.10 0.00 -1.01 0.00 0.00 66.70 64.61 3fnr h VAL 424 Cb 1.23 1.36 -0.01 0.00 -2.01 0.00 0.00 31.29 31.85 3fnr h VAL 424 CO 0.13 0.29 -0.32 -0.26 -1.01 0.00 0.00 177.57 176.41 3fnr h PHE 425 N 0.19 0.47 -0.11 3.17 0.04 -1.42 -1.29 116.94 118.00 3fnr h PHE 425 Ca 0.03 -0.11 -0.22 0.00 2.80 0.00 0.00 57.97 60.47 3fnr h PHE 425 Cb 0.49 -0.11 0.01 0.00 2.20 0.00 0.00 35.95 38.53 3fnr h PHE 425 CO 0.01 0.69 -0.82 0.00 -0.60 0.00 0.00 178.31 177.59 3fnr h ALA 426 N 1.30 0.34 -0.77 2.45 0.00 -1.15 -1.36 119.26 120.08 3fnr h ALA 426 Ca 0.05 -0.62 -0.03 0.00 0.00 0.00 0.00 54.91 54.30 3fnr h ALA 426 Cb 0.74 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 3fnr h ALA 426 CO 0.06 0.71 0.37 -0.22 0.00 0.00 0.00 179.25 180.17 3fnr h LYS 427 N 0.45 1.10 0.00 0.00 3.64 -0.80 -2.54 116.57 118.42 3fnr h LYS 427 Ca -0.06 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 3fnr h LYS 427 Cb 1.44 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 3fnr h LYS 427 CO 0.16 0.85 0.00 0.00 -2.27 0.00 0.00 179.45 178.20 3fnr n ALA 428 N -2.39 2.17 -3.35 5.00 0.00 -0.50 -4.93 120.51 116.51 3fnr n ALA 428 Ca 0.07 -0.06 -0.18 0.00 0.00 0.00 0.00 53.44 53.27 3fnr n ALA 428 Cb 0.13 -1.43 0.07 0.00 0.00 0.00 0.00 19.45 18.22 3fnr n ALA 428 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3fnr n GLY 429 N 1.11 -0.25 3.13 0.00 0.00 -0.96 -5.03 105.19 103.20 3fnr n GLY 429 Ca 0.06 0.06 -0.17 0.00 0.00 0.00 0.00 46.02 45.97 3fnr n GLY 429 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fnr s LYS 430 N -5.90 0.74 0.31 1.61 1.02 -0.55 -5.05 119.74 111.92 3fnr s LYS 430 Ca 0.39 -0.86 0.06 0.00 0.02 0.00 0.00 55.97 55.58 3fnr s LYS 430 Cb -0.17 -0.68 -0.02 0.00 -0.52 0.00 0.00 37.83 36.44 3fnr s LYS 430 CO 0.59 0.15 0.44 0.15 -0.92 0.00 0.00 175.35 175.76 3fnr s LYS 431 N -1.59 3.23 0.60 1.68 1.02 -1.26 -4.53 119.74 118.88 3fnr s LYS 431 Ca -0.04 -0.90 0.39 0.00 0.02 0.00 0.00 55.97 55.44 3fnr s LYS 431 Cb -0.10 -2.83 1.89 0.00 -0.52 0.00 0.00 37.83 36.27 3fnr s LYS 431 CO 0.02 0.17 2.16 -0.84 -0.92 0.00 0.00 175.35 175.94 3fnr h ILE 432 N 0.96 0.00 0.00 2.17 3.07 -1.99 -1.45 117.51 120.27 3fnr h ILE 432 Ca -0.48 -0.24 0.00 0.00 1.55 0.00 0.00 64.86 65.70 3fnr h ILE 432 Cb 1.25 1.21 0.00 0.00 -0.27 0.00 0.00 36.82 39.01 3fnr h ILE 432 CO 0.56 0.00 -0.04 0.44 -1.05 0.00 0.00 178.15 178.06 3fnr h ASP 433 N 0.00 0.00 1.74 2.16 5.19 -1.98 -3.27 116.42 120.26 3fnr h ASP 433 Ca 0.00 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3fnr h ASP 433 Cb 0.24 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.75 3fnr h ASP 433 CO 0.00 0.00 0.00 0.44 -3.12 0.00 0.00 179.24 176.56 3fnr h ASP 434 N 0.00 0.00 -0.02 6.45 3.45 -1.66 -3.29 116.42 121.35 3fnr h ASP 434 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3fnr h ASP 434 Cb 0.94 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.71 3fnr h ASP 434 CO 0.00 0.00 -0.02 1.33 -1.57 0.00 0.00 179.24 178.98 3fnr n VAL 435 N -2.92 0.00 -0.37 -1.35 0.24 -1.23 -4.59 118.33 108.11 3fnr n VAL 435 Ca 0.04 -0.49 0.03 0.00 -2.04 0.00 0.00 64.34 61.88 3fnr n VAL 435 Cb 0.47 1.27 0.18 0.00 -1.47 0.00 0.00 33.84 34.29 3fnr n VAL 435 CO 0.00 0.00 0.00 -0.03 -2.14 0.00 0.00 176.83 174.66 3fnr h MET 436 N 2.52 1.14 0.00 7.34 -1.53 -1.63 -2.61 114.93 120.15 3fnr h MET 436 Ca 0.00 -0.07 0.00 0.00 -3.44 0.00 0.00 59.70 56.19 3fnr h MET 436 Cb 0.54 -0.26 0.00 0.00 -0.55 0.00 0.00 31.60 31.34 3fnr h MET 436 CO 0.00 0.75 0.00 0.36 0.14 0.00 0.00 176.91 178.16 3fnr n LYS 437 N -4.51 0.12 -2.08 0.39 -0.00 -1.26 -4.77 118.16 106.05 3fnr n LYS 437 Ca 0.16 0.48 -0.36 0.00 -0.00 0.00 0.00 58.31 58.59 3fnr n LYS 437 Cb 0.19 -1.80 0.02 0.00 -0.00 0.00 0.00 35.03 33.44 3fnr n LYS 437 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3fnr s ALA 438 N -3.31 2.72 -1.26 0.58 0.00 -0.98 -4.97 121.76 114.53 3fnr s ALA 438 Ca 0.02 1.01 0.14 0.00 0.00 0.00 0.00 51.96 53.13 3fnr s ALA 438 Cb 0.07 -3.44 -0.01 0.00 0.00 0.00 0.00 23.12 19.74 3fnr s ALA 438 CO 0.25 -1.00 0.77 -0.40 0.00 0.00 0.00 175.76 175.38 3fnr n ASP 439 N -1.18 1.46 0.00 0.00 5.68 -1.26 -4.99 116.55 116.25 3fnr n ASP 439 Ca 0.11 -1.23 0.00 0.00 -0.50 0.00 0.00 54.79 53.17 3fnr n ASP 439 Cb 0.49 0.49 0.00 0.00 -1.14 0.00 0.00 41.12 40.96 3fnr n ASP 439 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 3fnr n LEU 440 N -0.21 0.40 0.23 -2.12 4.32 -1.26 -4.78 117.00 113.58 3fnr n LEU 440 Ca 0.06 0.00 0.09 0.00 -0.02 0.00 0.00 56.01 56.14 3fnr n LEU 440 Cb 0.29 -1.20 0.56 0.00 -1.62 0.00 0.00 43.42 41.45 3fnr n LEU 440 CO 0.18 -0.37 0.86 -0.61 -1.22 0.00 0.00 177.39 176.23 3fnr h GLN 441 N 0.77 0.00 -0.00 3.23 5.75 -1.94 -2.79 115.11 120.13 3fnr h GLN 441 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3fnr h GLN 441 Cb 0.34 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.89 3fnr h GLN 441 CO 0.00 0.22 -0.10 -1.13 -2.65 0.00 0.00 178.83 175.17 3fnr n SER 442 N -3.70 0.32 -4.70 -0.69 3.41 -1.26 -4.90 113.62 102.10 3fnr n SER 442 Ca -0.01 -0.38 -0.43 0.00 -0.26 0.00 0.00 58.87 57.78 3fnr n SER 442 Cb 0.33 -0.13 -0.03 0.00 -0.26 0.00 0.00 64.21 64.12 3fnr n SER 442 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3fnr n LEU 443 N -1.10 3.69 -4.76 1.04 4.32 -1.05 -5.01 117.00 114.12 3fnr n LEU 443 Ca 0.13 1.08 -0.29 0.00 -0.02 0.00 0.00 56.01 56.91 3fnr n LEU 443 Cb 0.28 -1.52 0.18 0.00 -1.62 0.00 0.00 43.42 40.73 3fnr n LEU 443 CO 0.24 -0.02 0.73 0.54 -1.22 0.00 0.00 177.39 177.66 3fnr s ASN 444 N 0.95 2.64 0.26 -1.43 2.20 -1.26 -4.72 114.94 113.58 3fnr s ASN 444 Ca 0.74 0.71 -0.01 0.00 -0.94 0.00 0.00 52.86 53.36 3fnr s ASN 444 Cb -0.57 -1.06 0.50 0.00 -2.00 0.00 0.00 41.25 38.12 3fnr s ASN 444 CO 0.37 -3.07 1.80 -0.61 -2.94 0.00 0.00 177.10 172.66 3fnr h GLN 445 N -1.86 0.79 -0.68 3.55 5.75 -1.99 0.00 115.11 120.67 3fnr h GLN 445 Ca -0.48 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 57.96 3fnr h GLN 445 Cb 1.30 -0.18 -0.03 0.00 1.07 0.00 0.00 27.48 29.64 3fnr h GLN 445 CO 0.48 0.52 0.37 -0.44 -2.65 0.00 0.00 178.83 177.11 3fnr h ASP 446 N 0.81 0.84 -0.32 -0.69 3.45 -1.99 -0.72 116.42 117.81 3fnr h ASP 446 Ca 0.46 -0.07 -0.17 0.00 0.43 0.00 0.00 57.03 57.68 3fnr h ASP 446 Cb 0.51 -0.21 -0.00 0.00 -0.56 0.00 0.00 39.33 39.06 3fnr h ASP 446 CO -0.29 0.69 -0.46 1.23 -1.57 0.00 0.00 179.24 178.84 3fnr h GLY 447 N 1.01 0.95 1.06 2.75 0.00 -1.41 -2.57 103.07 104.86 3fnr h GLY 447 Ca 0.24 -1.05 -0.09 0.00 0.00 0.00 0.00 47.33 46.43 3fnr h GLY 447 CO -0.04 0.95 0.02 -2.08 0.00 0.00 0.00 176.54 175.39 3fnr h VAL 448 N 0.66 1.26 -0.57 4.60 2.07 -0.81 0.15 116.25 123.61 3fnr h VAL 448 Ca 0.03 -1.11 0.03 0.00 0.82 0.00 0.00 66.70 66.47 3fnr h VAL 448 Cb 1.06 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 31.62 3fnr h VAL 448 CO 0.11 0.40 0.34 0.78 0.02 0.00 0.00 177.57 179.22 3fnr h ASN 449 N 0.92 0.54 -0.24 0.57 2.35 -1.15 0.12 115.58 118.69 3fnr h ASN 449 Ca 0.17 0.01 -0.12 0.00 -0.55 0.00 0.00 56.30 55.80 3fnr h ASN 449 Cb 0.53 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.78 3fnr h ASN 449 CO 0.03 0.37 -0.29 0.25 -1.65 0.00 0.00 177.43 176.14 3fnr h LEU 450 N 0.66 0.76 0.01 1.61 5.85 -1.23 0.11 115.31 123.08 3fnr h LEU 450 Ca 0.23 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 3fnr h LEU 450 Cb 0.05 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.87 3fnr h LEU 450 CO -0.11 1.00 -0.01 0.25 -0.34 0.00 0.00 178.44 179.23 3fnr h LEU 451 N 0.63 -0.02 -0.40 2.25 5.85 -0.65 -0.36 115.31 122.61 3fnr h LEU 451 Ca 0.08 -0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.78 3fnr h LEU 451 Cb 0.80 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.79 3fnr h LEU 451 CO 0.07 0.05 0.13 0.15 -0.34 0.00 0.00 178.44 178.50 3fnr h PHE 452 N -0.09 0.22 -0.72 1.25 3.57 -0.47 -1.92 116.94 118.79 3fnr h PHE 452 Ca -0.00 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.56 3fnr h PHE 452 Cb 0.08 -0.04 -0.05 0.00 2.79 0.00 0.00 35.95 38.73 3fnr h PHE 452 CO -0.06 0.08 0.44 1.49 -2.23 0.00 0.00 178.31 178.03 3fnr h GLU 453 N 0.28 0.82 -0.21 1.11 4.81 -0.61 0.65 114.58 121.43 3fnr h GLU 453 Ca 0.19 -0.05 0.02 0.00 -0.13 0.00 0.00 59.36 59.39 3fnr h GLU 453 Cb 0.18 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 3fnr h GLU 453 CO -0.20 0.54 0.07 0.00 -0.73 0.00 0.00 179.01 178.69 3fnr h ALA 454 N 1.32 0.23 0.00 2.92 0.00 -0.60 -2.86 119.26 120.27 3fnr h ALA 454 Ca 0.30 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 3fnr h ALA 454 Cb 0.07 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 3fnr h ALA 454 CO -0.13 -0.35 -0.07 -0.07 0.00 0.00 0.00 179.25 178.62 3fnr h LEU 455 N 0.17 0.00 0.00 0.00 3.38 -0.75 -3.18 115.31 114.93 3fnr h LEU 455 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 3fnr h LEU 455 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3fnr h LEU 455 CO -0.10 0.07 0.00 -3.20 0.09 0.00 0.00 178.44 175.31 3fnr n ASN 456 N -3.16 0.00 -0.23 -0.43 4.05 0.17 -3.73 115.26 111.92 3fnr n ASN 456 Ca 0.02 -0.01 0.01 0.00 0.45 0.00 0.00 54.58 55.04 3fnr n ASN 456 Cb 0.42 -0.25 0.13 0.00 1.23 0.00 0.00 39.78 41.31 3fnr n ASN 456 CO 0.00 0.00 0.00 0.25 -3.05 0.00 0.00 177.26 174.46 3fnr h LEU 457 N 0.00 0.40 -0.39 1.20 5.85 -1.66 -2.41 115.31 118.29 3fnr h LEU 457 Ca 0.00 0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.87 3fnr h LEU 457 Cb 0.13 -0.00 -0.08 0.00 0.37 0.00 0.00 40.66 41.07 3fnr h LEU 457 CO 0.00 0.23 -0.18 0.50 -0.34 0.00 0.00 178.44 178.65 3fnr h LYS 458 N 0.55 -0.10 -0.41 1.25 3.64 -1.88 0.27 116.57 119.89 3fnr h LYS 458 Ca 0.33 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.73 3fnr h LYS 458 Cb 0.36 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.18 3fnr h LYS 458 CO -0.27 -0.07 0.26 0.00 -2.27 0.00 0.00 179.45 177.10 3fnr h ALA 459 N 1.19 0.52 -0.23 5.00 0.00 -1.76 -2.41 119.26 121.58 3fnr h ALA 459 Ca 0.19 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3fnr h ALA 459 Cb 0.40 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3fnr h ALA 459 CO -0.46 -0.05 0.12 0.28 0.00 0.00 0.00 179.25 179.13 3fnr h VAL 460 N 0.52 1.01 -0.41 0.00 2.07 -0.87 -1.72 116.25 116.86 3fnr h VAL 460 Ca 0.16 -0.09 -0.02 0.00 0.82 0.00 0.00 66.70 67.57 3fnr h VAL 460 Cb -0.03 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 3fnr h VAL 460 CO -0.05 0.05 0.17 -0.07 0.02 0.00 0.00 177.57 177.68 3fnr h LEU 461 N 0.25 0.56 -0.83 2.57 3.38 -0.82 0.23 115.31 120.65 3fnr h LEU 461 Ca 0.09 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.87 3fnr h LEU 461 Cb 0.01 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 3fnr h LEU 461 CO -0.06 0.56 0.38 0.78 0.09 0.00 0.00 178.44 180.19 3fnr h ASN 462 N 0.52 1.10 -0.32 -0.43 2.35 -1.39 -1.34 115.58 116.07 3fnr h ASN 462 Ca 0.14 -0.15 -0.14 0.00 -0.55 0.00 0.00 56.30 55.59 3fnr h ASN 462 Cb 0.17 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.25 3fnr h ASN 462 CO -0.01 0.94 -0.34 -0.78 -1.65 0.00 0.00 177.43 175.59 3fnr h ASP 463 N 1.19 0.90 -0.64 5.81 3.58 -0.93 -2.14 116.42 124.19 3fnr h ASP 463 Ca 0.28 -0.39 -0.05 0.00 0.42 0.00 0.00 57.03 57.29 3fnr h ASP 463 Cb 0.15 -0.25 -0.03 0.00 1.72 0.00 0.00 39.33 40.92 3fnr h ASP 463 CO -0.03 1.15 0.21 0.00 -2.88 0.00 0.00 179.24 177.69 3fnr h ALA 464 N 0.89 0.83 0.27 -0.78 0.00 -0.26 -2.47 119.26 117.75 3fnr h ALA 464 Ca 0.07 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 3fnr h ALA 464 Cb 0.90 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3fnr h ALA 464 CO 0.08 0.50 -0.13 0.35 0.00 0.00 0.00 179.25 180.05 3fnr h PHE 465 N 0.92 -0.34 -0.07 0.00 3.57 -1.15 -0.51 116.94 119.35 3fnr h PHE 465 Ca 0.21 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 3fnr h PHE 465 Cb 0.28 0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.13 3fnr h PHE 465 CO 0.02 -0.02 0.02 0.93 -2.23 0.00 0.00 178.31 177.03 3fnr h GLU 466 N -0.68 0.09 -0.02 1.11 5.08 -1.39 -1.41 114.58 117.36 3fnr h GLU 466 Ca -0.04 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3fnr h GLU 466 Cb 0.47 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3fnr h GLU 466 CO 0.06 0.09 -0.26 0.00 -1.00 0.00 0.00 179.01 177.90 3fnr n ALA 467 N -2.52 3.08 -1.78 3.43 0.00 -0.93 -4.95 120.51 116.83 3fnr n ALA 467 Ca -0.02 -0.59 -0.20 0.00 0.00 0.00 0.00 53.44 52.63 3fnr n ALA 467 Cb 0.11 -0.90 -0.07 0.00 0.00 0.00 0.00 19.45 18.59 3fnr n ALA 467 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3fnr n ARG 468 N 0.24 -1.43 -3.11 0.00 5.12 -0.53 -4.93 116.66 112.02 3fnr n ARG 468 Ca 0.12 1.14 -0.44 0.00 -1.93 0.00 0.00 57.85 56.74 3fnr n ARG 468 Cb 0.47 -5.55 0.00 0.00 -1.16 0.00 0.00 32.46 26.23 3fnr n ARG 468 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3fnr n ALA 469 N 0.51 4.50 0.30 7.54 0.00 -0.27 -4.85 120.51 128.23 3fnr n ALA 469 Ca -0.21 -4.60 0.16 0.00 0.00 0.00 0.00 53.44 48.80 3fnr n ALA 469 Cb 0.66 -2.58 0.65 0.00 0.00 0.00 0.00 19.45 18.18 3fnr n ALA 469 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3fnr h LEU 470 N 6.99 0.00 -0.98 0.00 3.38 -1.90 -2.68 115.31 120.12 3fnr h LEU 470 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3fnr h LEU 470 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 3fnr h LEU 470 CO 1.19 0.00 0.00 0.00 0.09 0.00 0.00 178.44 179.72 3fnr n GLN 471 N -2.95 0.18 0.26 1.13 0.00 -1.23 -1.61 117.38 113.16 3fnr n GLN 471 Ca 0.01 0.50 0.11 0.00 0.00 0.00 0.00 57.00 57.62 3fnr n GLN 471 Cb 0.29 -1.91 0.71 0.00 0.00 0.00 0.00 30.24 29.33 3fnr n GLN 471 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.06 177.93 3fnr h LYS 472 N 0.00 0.00 0.39 2.61 1.79 -1.80 -2.23 116.57 117.33 3fnr h LYS 472 Ca 0.00 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.45 3fnr h LYS 472 Cb 0.24 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.89 3fnr h LYS 472 CO 0.00 0.10 -0.19 0.82 -1.08 0.00 0.00 179.45 179.10 3fnr h ILE 473 N 0.00 0.46 -0.94 1.86 2.04 -1.53 -1.29 117.51 118.11 3fnr h ILE 473 Ca -0.00 -0.60 0.09 0.00 1.00 0.00 0.00 64.86 65.35 3fnr h ILE 473 Cb 0.22 0.69 -0.07 0.00 -0.74 0.00 0.00 36.82 36.92 3fnr h ILE 473 CO 0.01 0.09 0.61 -0.65 0.00 0.00 0.00 178.15 178.21 3fnr h PRO 474 N -0.94 0.95 -0.72 2.37 0.11 -1.72 -2.38 132.00 129.69 3fnr h PRO 474 Ca -0.05 -0.06 0.02 0.00 0.11 0.00 0.00 66.00 66.02 3fnr h PRO 474 Cb 0.55 -0.22 -0.04 0.00 0.11 0.00 0.00 31.00 31.40 3fnr h PRO 474 CO 0.09 0.63 0.46 -0.44 -0.21 0.00 0.00 178.00 178.53 3fnr h ASP 475 N 0.98 0.78 -0.27 -2.05 3.45 -1.41 0.31 116.42 118.21 3fnr h ASP 475 Ca 0.44 -0.01 -0.00 0.00 0.43 0.00 0.00 57.03 57.88 3fnr h ASP 475 Cb 0.37 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 38.94 3fnr h ASP 475 CO -0.20 0.55 0.15 0.22 -1.57 0.00 0.00 179.24 178.40 3fnr h TYR 476 N 0.92 0.37 -0.39 4.55 3.20 -0.99 -2.58 116.97 122.05 3fnr h TYR 476 Ca 0.28 -0.01 -0.10 0.00 3.14 0.00 0.00 58.73 62.03 3fnr h TYR 476 Cb -0.04 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.10 3fnr h TYR 476 CO -0.03 0.30 -0.17 1.25 -1.64 0.00 0.00 178.16 177.87 3fnr h LEU 477 N 0.33 0.82 -0.11 2.82 5.85 -1.10 -0.32 115.31 123.60 3fnr h LEU 477 Ca 0.10 -0.40 0.04 0.00 0.84 0.00 0.00 57.88 58.46 3fnr h LEU 477 Cb 0.05 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 40.80 3fnr h LEU 477 CO -0.02 1.03 -0.21 0.11 -0.34 0.00 0.00 178.44 179.02 3fnr h LYS 478 N 0.61 -0.27 -0.51 1.25 1.57 -0.93 -0.13 116.57 118.16 3fnr h LYS 478 Ca 0.09 0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.78 3fnr h LYS 478 Cb 0.71 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 33.07 3fnr h LYS 478 CO 0.05 -0.18 -0.10 -0.91 -0.57 0.00 0.00 179.45 177.75 3fnr h ASN 479 N -0.28 0.92 -0.53 0.86 2.35 -1.31 -1.72 115.58 115.87 3fnr h ASN 479 Ca 0.09 -0.29 -0.09 0.00 -0.55 0.00 0.00 56.30 55.47 3fnr h ASN 479 Cb 0.42 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 3fnr h ASN 479 CO -0.27 1.04 0.00 0.25 -1.65 0.00 0.00 177.43 176.79 3fnr h LEU 480 N 0.83 0.95 -0.34 1.61 5.85 -0.87 -1.29 115.31 122.04 3fnr h LEU 480 Ca 0.14 -0.26 -0.08 0.00 0.84 0.00 0.00 57.88 58.52 3fnr h LEU 480 Cb 0.63 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 3fnr h LEU 480 CO 0.04 1.00 -0.11 0.00 -0.34 0.00 0.00 178.44 179.04 3fnr h ALA 481 N 1.10 0.48 0.06 1.25 0.00 -0.88 -0.62 119.26 120.64 3fnr h ALA 481 Ca 0.16 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.77 3fnr h ALA 481 Cb 0.52 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 3fnr h ALA 481 CO 0.03 0.34 -0.10 0.00 0.00 0.00 0.00 179.25 179.52 3fnr h ALA 482 N 0.80 -0.15 -0.72 0.00 0.00 -1.17 -0.57 119.26 117.45 3fnr h ALA 482 Ca 0.08 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 3fnr h ALA 482 Cb 0.62 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 3fnr h ALA 482 CO 0.04 -0.61 0.19 -0.91 0.00 0.00 0.00 179.25 177.96 3fnr h ASN 483 N -0.19 1.08 0.43 0.00 2.35 -1.23 -1.81 115.58 116.21 3fnr h ASN 483 Ca 0.02 -0.23 -0.02 0.00 -0.55 0.00 0.00 56.30 55.52 3fnr h ASN 483 Cb 0.21 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.29 3fnr h ASN 483 CO -0.06 1.02 -0.24 0.15 -1.65 0.00 0.00 177.43 176.66 3fnr h PHE 484 N 1.09 -0.63 -0.42 1.19 3.57 -0.94 -1.02 116.94 119.78 3fnr h PHE 484 Ca 0.23 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.80 3fnr h PHE 484 Cb 0.35 0.22 -0.07 0.00 2.79 0.00 0.00 35.95 39.24 3fnr h PHE 484 CO 0.03 -0.38 -0.01 0.45 -2.23 0.00 0.00 178.31 176.17 3fnr h HIS 485 N -0.63 -0.05 -0.42 0.41 3.86 -0.96 0.65 115.15 118.01 3fnr h HIS 485 Ca -0.05 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.18 3fnr h HIS 485 Cb 0.50 0.09 -0.02 0.00 1.06 0.00 0.00 27.41 29.04 3fnr h HIS 485 CO -0.07 -0.10 0.21 -0.22 0.86 0.00 0.00 177.93 178.61 3fnr h LYS 486 N 0.09 0.60 -0.08 2.45 3.64 -1.31 -1.36 116.57 120.61 3fnr h LYS 486 Ca 0.21 -0.08 0.02 0.00 -1.27 0.00 0.00 60.65 59.53 3fnr h LYS 486 Cb 0.30 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 3fnr h LYS 486 CO -0.36 0.51 -0.07 0.35 -2.27 0.00 0.00 179.45 177.62 3fnr h PHE 487 N 0.55 -0.16 -0.01 1.91 3.04 -0.31 -2.80 116.94 119.15 3fnr h PHE 487 Ca 0.15 0.01 -0.08 0.00 3.98 0.00 0.00 57.97 62.03 3fnr h PHE 487 Cb 0.10 0.08 -0.01 0.00 2.56 0.00 0.00 35.95 38.68 3fnr h PHE 487 CO -0.02 -0.11 -0.38 -0.92 -2.02 0.00 0.00 178.31 174.87 3fnr h TYR 488 N -0.08 0.02 -0.11 0.41 -0.00 -0.70 -1.78 116.97 114.73 3fnr h TYR 488 Ca 0.05 -0.00 -0.05 0.00 -0.00 0.00 0.00 58.73 58.73 3fnr h TYR 488 Cb 0.16 -0.00 -0.01 0.00 -0.00 0.00 0.00 36.73 36.87 3fnr h TYR 488 CO -0.17 0.39 -0.15 -0.91 -0.00 0.00 0.00 178.16 177.32 3fnr h ASN 489 N 0.02 0.17 -0.02 -2.11 2.35 -1.11 -3.08 115.58 111.79 3fnr h ASN 489 Ca -0.00 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3fnr h ASN 489 Cb 0.67 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.00 3fnr h ASN 489 CO 0.05 0.34 -0.21 -0.62 -1.65 0.00 0.00 177.43 175.35 3fnr n GLU 490 N -4.27 1.80 -3.96 0.81 -0.58 -0.78 -4.90 120.64 108.76 3fnr n GLU 490 Ca -0.01 -1.49 -0.26 0.00 -0.42 0.00 0.00 57.16 54.99 3fnr n GLU 490 Cb 0.27 -1.45 -0.17 0.00 -0.57 0.00 0.00 31.44 29.52 3fnr n GLU 490 CO 0.00 0.00 0.00 -0.80 -0.48 0.00 0.00 177.13 175.85 3fnr s ASN 491 N -2.15 1.98 0.20 1.62 0.01 -0.74 -5.09 114.94 110.77 3fnr s ASN 491 Ca 0.23 -0.26 -0.30 0.00 -0.71 0.00 0.00 52.86 51.83 3fnr s ASN 491 Cb 0.19 -0.75 -0.08 0.00 0.41 0.00 0.00 41.25 41.01 3fnr s ASN 491 CO 0.41 -0.11 1.08 -0.75 -1.51 0.00 0.00 177.10 176.21 3fnr s LYS 492 N 1.61 4.63 0.00 -0.60 2.36 -1.26 -4.77 119.74 121.71 3fnr s LYS 492 Ca 0.02 1.70 -0.01 0.00 -2.55 0.00 0.00 55.97 55.13 3fnr s LYS 492 Cb -0.13 -3.26 -0.00 0.00 -1.05 0.00 0.00 37.83 33.38 3fnr s LYS 492 CO -0.06 0.15 -0.03 0.28 1.55 0.00 0.00 175.35 177.24 3fnr n VAL 493 N 2.07 0.31 -2.15 4.02 0.31 -1.26 -4.79 118.33 116.84 3fnr n VAL 493 Ca 0.01 0.21 -0.42 0.00 -0.01 0.00 0.00 64.34 64.13 3fnr n VAL 493 Cb 0.46 -1.33 -0.03 0.00 -0.91 0.00 0.00 33.84 32.03 3fnr n VAL 493 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3fnr s VAL 494 N -1.31 3.38 0.00 2.52 1.01 -1.26 -2.29 120.40 122.45 3fnr s VAL 494 Ca -0.02 0.92 0.00 0.00 0.00 0.00 0.00 61.98 62.88 3fnr s VAL 494 Cb 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.79 3fnr s VAL 494 CO 0.03 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.79 3fnr n GLY 495 N 3.60 3.38 3.81 4.51 0.00 -1.26 -5.06 105.19 114.17 3fnr n GLY 495 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.84 3fnr n GLY 495 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3fnr s SER 496 N -0.99 5.04 0.35 1.61 1.04 -0.97 -4.94 113.70 114.84 3fnr s SER 496 Ca 0.00 1.55 0.27 0.00 0.48 0.00 0.00 55.95 58.25 3fnr s SER 496 Cb 0.00 -2.37 1.06 0.00 0.10 0.00 0.00 66.02 64.81 3fnr s SER 496 CO 0.00 -1.65 1.79 0.00 0.98 0.00 0.00 173.24 174.36 3fnr h ALA 497 N -0.87 1.00 -0.33 5.32 0.00 -1.95 -2.82 119.26 119.61 3fnr h ALA 497 Ca -0.45 0.00 -0.23 0.00 0.00 0.00 0.00 54.91 54.23 3fnr h ALA 497 Cb 1.23 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 18.85 3fnr h ALA 497 CO 0.57 0.00 -0.52 0.27 0.00 0.00 0.00 179.25 179.57 3fnr n ASN 498 N -2.52 3.07 -0.04 0.00 6.94 -1.26 -4.82 115.26 116.62 3fnr n ASN 498 Ca 0.02 -3.84 -0.08 0.00 -0.02 0.00 0.00 54.58 50.66 3fnr n ASN 498 Cb 0.28 -0.49 -0.02 0.00 -2.36 0.00 0.00 39.78 37.19 3fnr n ASN 498 CO 0.00 0.00 0.00 -0.08 -1.03 0.00 0.00 177.26 176.15 3fnr h GLU 499 N 1.43 -0.03 -0.96 -3.83 4.81 -1.70 -2.16 114.58 112.15 3fnr h GLU 499 Ca 0.17 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.42 3fnr h GLU 499 Cb 1.27 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.60 3fnr h GLU 499 CO 0.35 -0.02 0.63 -0.91 -0.73 0.00 0.00 179.01 178.34 3fnr h ASN 500 N -0.03 1.09 -0.23 1.04 2.35 -1.87 0.12 115.58 118.05 3fnr h ASN 500 Ca 0.11 -0.03 0.01 0.00 -0.55 0.00 0.00 56.30 55.84 3fnr h ASN 500 Cb 0.19 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 3fnr h ASN 500 CO -0.24 0.79 0.14 0.44 -1.65 0.00 0.00 177.43 176.91 3fnr h ASP 501 N 1.29 0.24 -0.29 5.81 5.19 -1.80 -0.00 116.42 126.85 3fnr h ASP 501 Ca 0.35 -0.00 -0.07 0.00 -0.62 0.00 0.00 57.03 56.69 3fnr h ASP 501 Cb -0.14 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 39.31 3fnr h ASP 501 CO -0.08 0.17 -0.09 -0.07 -3.12 0.00 0.00 179.24 176.06 3fnr h LEU 502 N 0.29 0.58 -0.54 1.55 3.38 -0.99 -1.58 115.31 118.01 3fnr h LEU 502 Ca 0.09 -0.37 0.02 0.00 0.09 0.00 0.00 57.88 57.70 3fnr h LEU 502 Cb -0.02 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 3fnr h LEU 502 CO -0.03 0.82 0.33 -0.07 0.09 0.00 0.00 178.44 179.59 3fnr h LEU 503 N 0.34 0.55 -0.56 1.67 3.38 -0.71 -0.07 115.31 119.90 3fnr h LEU 503 Ca 0.07 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 3fnr h LEU 503 Cb 0.58 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 3fnr h LEU 503 CO 0.03 0.39 0.26 0.50 0.09 0.00 0.00 178.44 179.72 3fnr h LYS 504 N 0.67 0.81 -0.22 1.13 3.64 -0.90 0.20 116.57 121.90 3fnr h LYS 504 Ca 0.21 -0.12 0.06 0.00 -1.27 0.00 0.00 60.65 59.52 3fnr h LYS 504 Cb -0.01 -0.14 -0.06 0.00 -0.41 0.00 0.00 32.23 31.61 3fnr h LYS 504 CO -0.08 0.67 -0.19 1.25 -2.27 0.00 0.00 179.45 178.83 3fnr h LEU 505 N 0.76 -0.60 -1.13 5.20 5.85 -1.06 -2.34 115.31 121.98 3fnr h LEU 505 Ca 0.19 0.12 -0.01 0.00 0.84 0.00 0.00 57.88 59.02 3fnr h LEU 505 Cb 0.13 0.30 -0.04 0.00 0.37 0.00 0.00 40.66 41.42 3fnr h LEU 505 CO -0.02 -0.23 0.43 -0.26 -0.34 0.00 0.00 178.44 178.01 3fnr h PHE 506 N -0.19 1.00 -0.13 1.25 0.05 -0.10 -1.82 116.94 117.00 3fnr h PHE 506 Ca 0.13 -0.01 -0.05 0.00 3.82 0.00 0.00 57.97 61.86 3fnr h PHE 506 Cb 0.39 -0.33 -0.01 0.00 2.00 0.00 0.00 35.95 38.00 3fnr h PHE 506 CO -0.34 0.68 -0.13 0.66 -0.18 0.00 0.00 178.31 179.01 3fnr h SER 507 N 1.04 0.19 0.18 2.17 4.64 -0.23 0.15 113.55 121.68 3fnr h SER 507 Ca 0.27 -0.04 -0.24 0.00 -0.47 0.00 0.00 61.79 61.31 3fnr h SER 507 Cb -0.00 -0.05 0.01 0.00 -0.31 0.00 0.00 62.40 62.05 3fnr h SER 507 CO -0.05 0.34 -0.97 0.25 -0.87 0.00 0.00 176.83 175.53 3fnr h LEU 508 N 0.19 0.71 -0.36 5.97 5.85 -0.84 -2.49 115.31 124.34 3fnr h LEU 508 Ca 0.04 -0.56 -0.02 0.00 0.84 0.00 0.00 57.88 58.18 3fnr h LEU 508 Cb 0.35 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 3fnr h LEU 508 CO 0.02 1.36 0.17 0.58 -0.34 0.00 0.00 178.44 180.23 3fnr h VAL 509 N 0.31 1.17 -0.82 1.05 2.07 -0.81 -1.92 116.25 117.32 3fnr h VAL 509 Ca -0.10 -0.50 0.07 0.00 0.82 0.00 0.00 66.70 66.99 3fnr h VAL 509 Cb 1.62 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 32.17 3fnr h VAL 509 CO 0.18 0.18 0.53 0.00 0.02 0.00 0.00 177.57 178.49 3fnr h ALA 510 N 1.02 1.62 -0.31 1.67 0.00 -1.02 -1.64 119.26 120.60 3fnr h ALA 510 Ca 0.12 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 3fnr h ALA 510 Cb 0.13 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 3fnr h ALA 510 CO -0.01 0.25 -0.34 1.25 0.00 0.00 0.00 179.25 180.39 3fnr h LEU 511 N 0.88 0.84 -0.81 0.00 5.85 -1.10 -1.54 115.31 119.43 3fnr h LEU 511 Ca 0.35 -0.48 -0.06 0.00 0.84 0.00 0.00 57.88 58.53 3fnr h LEU 511 Cb 0.25 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 3fnr h LEU 511 CO -0.13 1.15 0.16 0.28 -0.34 0.00 0.00 178.44 179.56 3fnr h SER 512 N 0.55 0.99 0.05 1.25 0.02 -1.07 -0.12 113.55 115.22 3fnr h SER 512 Ca 0.05 -0.20 -0.00 0.00 -0.84 0.00 0.00 61.79 60.79 3fnr h SER 512 Cb 0.93 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 63.21 3fnr h SER 512 CO 0.08 0.96 -0.03 0.40 -1.14 0.00 0.00 176.83 177.10 3fnr h ILE 513 N 1.00 1.07 -0.04 3.27 2.04 -1.20 -1.71 117.51 121.95 3fnr h ILE 513 Ca 0.21 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.67 3fnr h ILE 513 Cb 0.35 1.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.77 3fnr h ILE 513 CO 0.00 0.10 0.03 0.50 0.00 0.00 0.00 178.15 178.78 3fnr h LYS 514 N -0.25 0.05 0.61 2.37 3.64 -1.20 -0.32 116.57 121.47 3fnr h LYS 514 Ca -0.01 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.35 3fnr h LYS 514 Cb 0.22 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 3fnr h LYS 514 CO 0.01 0.03 -0.50 1.15 -2.27 0.00 0.00 179.45 177.88 3fnr h THR 515 N 0.05 0.00 -0.46 1.00 2.02 -1.02 -1.04 112.91 113.46 3fnr h THR 515 Ca 0.01 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.22 3fnr h THR 515 Cb -0.01 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.37 3fnr h THR 515 CO -0.00 0.00 0.26 0.00 0.37 0.00 0.00 175.52 176.14 3fnr h ALA 516 N -1.02 0.58 -0.80 6.16 0.00 -1.26 -1.97 119.26 120.95 3fnr h ALA 516 Ca -0.08 0.00 0.08 0.00 0.00 0.00 0.00 54.91 54.91 3fnr h ALA 516 Cb 0.90 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.52 3fnr h ALA 516 CO -0.00 -0.07 0.46 0.74 0.00 0.00 0.00 179.25 180.38 3fnr h PHE 517 N 0.51 0.84 0.00 0.00 0.05 -1.05 -2.55 116.94 114.75 3fnr h PHE 517 Ca 0.19 0.03 -0.05 0.00 3.82 0.00 0.00 57.97 61.96 3fnr h PHE 517 Cb 0.05 -0.26 -0.01 0.00 2.00 0.00 0.00 35.95 37.73 3fnr h PHE 517 CO -0.08 0.37 -0.22 0.66 -0.18 0.00 0.00 178.31 178.86 3fnr h SER 518 N 0.80 0.00 1.20 2.17 4.64 -0.40 -0.28 113.55 121.68 3fnr h SER 518 Ca 0.37 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.69 3fnr h SER 518 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3fnr h SER 518 CO -0.22 0.22 0.00 -0.07 -0.87 0.00 0.00 176.83 175.88 3fnr h LEU 519 N 0.00 0.00 -1.86 5.97 3.38 -1.22 -1.73 115.31 119.85 3fnr h LEU 519 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3fnr h LEU 519 Cb 0.39 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3fnr h LEU 519 CO 0.03 0.00 0.00 0.23 0.09 0.00 0.00 178.44 178.79 3fnr n MET 520 N -2.74 2.20 -2.00 1.13 2.81 -0.26 -4.53 117.12 113.73 3fnr n MET 520 Ca 0.02 -1.83 -0.11 0.00 -1.81 0.00 0.00 57.70 53.97 3fnr n MET 520 Cb 0.35 -1.45 -0.02 0.00 -0.71 0.00 0.00 33.22 31.39 3fnr n MET 520 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3fnr n GLY 521 N 1.35 0.23 3.27 3.03 0.00 -0.65 -4.85 105.19 107.57 3fnr n GLY 521 Ca 0.18 -0.43 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 3fnr n GLY 521 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3fnr s ILE 522 N -2.54 2.48 -0.21 -0.61 1.01 -0.36 -4.87 121.20 116.10 3fnr s ILE 522 Ca 0.00 -0.86 -0.17 0.00 0.00 0.00 0.00 60.65 59.62 3fnr s ILE 522 Cb 0.00 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.43 3fnr s ILE 522 CO 0.00 0.54 0.47 -0.70 0.00 0.00 0.00 174.94 175.25 3fnr s GLU 523 N 0.47 4.16 0.28 2.79 2.12 -1.26 -2.52 118.70 124.74 3fnr s GLU 523 Ca -0.13 0.32 -0.29 0.00 0.36 0.00 0.00 54.97 55.22 3fnr s GLU 523 Cb -0.17 -3.57 -0.10 0.00 0.26 0.00 0.00 34.13 30.56 3fnr s GLU 523 CO 0.05 -0.15 1.27 0.00 -0.54 0.00 0.00 175.26 175.89 3fnr s ALA 524 N 1.64 3.49 0.02 6.30 0.00 -1.26 -5.00 121.76 126.94 3fnr s ALA 524 Ca 0.22 1.14 -0.21 0.00 0.00 0.00 0.00 51.96 53.10 3fnr s ALA 524 Cb -0.15 -3.45 -0.06 0.00 0.00 0.00 0.00 23.12 19.46 3fnr s ALA 524 CO 0.09 -0.51 0.62 0.15 0.00 0.00 0.00 175.76 176.11 3fnr s LYS 525 N -1.19 4.33 0.22 0.00 1.02 -1.26 -4.97 119.74 117.88 3fnr s LYS 525 Ca 0.50 0.79 0.18 0.00 0.02 0.00 0.00 55.97 57.46 3fnr s LYS 525 Cb -0.37 -3.33 0.02 0.00 -0.52 0.00 0.00 37.83 33.64 3fnr s LYS 525 CO 0.46 0.41 1.21 -0.91 -0.92 0.00 0.00 175.35 175.59 3fnr h ASN 526 N 5.42 0.00 -3.76 2.83 2.35 -1.91 -3.14 115.58 117.37 3fnr h ASN 526 Ca -0.46 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.02 3fnr h ASN 526 Cb 1.20 0.00 -0.29 0.00 0.05 0.00 0.00 38.32 39.29 3fnr h ASN 526 CO 0.69 0.38 -0.73 -0.54 -1.65 0.00 0.00 177.43 175.58 3fnr s LYS 527 N -3.04 0.16 0.00 0.81 -0.14 -1.26 -4.53 119.74 111.74 3fnr s LYS 527 Ca 0.01 -0.05 0.25 0.00 -1.36 0.00 0.00 55.97 54.82 3fnr s LYS 527 Cb 0.08 -0.18 0.37 0.00 -1.68 0.00 0.00 37.83 36.41 3fnr s LYS 527 CO 0.76 0.02 1.36 -1.33 -0.76 0.00 0.00 175.35 175.40