#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kr5 s GLU 87 N 0.00 4.29 0.03 1.43 4.04 -1.26 -4.95 118.70 122.28 3kr5 s GLU 87 Ca 0.00 2.11 -0.30 0.00 0.04 0.00 0.00 54.97 56.81 3kr5 s GLU 87 Cb 0.00 -3.32 -0.05 0.00 0.02 0.00 0.00 34.13 30.77 3kr5 s GLU 87 CO 0.00 -0.50 1.25 0.08 -1.84 0.00 0.00 175.26 174.25 3kr5 s VAL 88 N 1.46 3.96 1.01 1.83 1.01 -1.26 -5.00 120.40 123.40 3kr5 s VAL 88 Ca 0.66 1.37 -0.12 0.00 0.00 0.00 0.00 61.98 63.89 3kr5 s VAL 88 Cb -0.37 -3.88 0.20 0.00 0.00 0.00 0.00 36.38 32.33 3kr5 s VAL 88 CO 0.30 0.06 1.08 -2.16 0.00 0.00 0.00 175.10 174.38 3kr5 s PRO 89 N 1.58 0.31 -0.17 2.72 0.04 -1.26 -4.96 135.00 133.27 3kr5 s PRO 89 Ca 0.59 0.65 -0.16 0.00 0.04 0.00 0.00 61.00 62.12 3kr5 s PRO 89 Cb -0.29 -1.71 0.04 0.00 0.04 0.00 0.00 34.50 32.58 3kr5 s PRO 89 CO 0.27 -2.85 0.46 -0.65 0.04 0.00 0.00 177.00 174.28 3kr5 s GLN 90 N -4.86 0.56 -0.13 4.56 -0.21 -1.26 -4.97 119.66 113.35 3kr5 s GLN 90 Ca 0.66 0.60 -0.20 0.00 0.02 0.00 0.00 55.36 56.44 3kr5 s GLN 90 Cb -0.20 0.27 -0.26 0.00 1.00 0.00 0.00 33.01 33.83 3kr5 s GLN 90 CO 0.59 -0.07 0.56 0.28 -2.12 0.00 0.00 175.29 174.52 3kr5 h VAL 91 N 4.36 1.20 -2.26 1.09 2.07 -1.97 -3.48 116.25 117.27 3kr5 h VAL 91 Ca -0.27 -2.36 -0.58 0.00 0.82 0.00 0.00 66.70 64.31 3kr5 h VAL 91 Cb 1.18 2.79 -0.12 0.00 -1.52 0.00 0.00 31.29 33.62 3kr5 h VAL 91 CO 0.22 0.60 -0.70 0.68 0.02 0.00 0.00 177.57 178.40 3kr5 s VAL 92 N -2.40 3.03 -2.00 2.57 -7.23 -1.26 -5.01 120.40 108.10 3kr5 s VAL 92 Ca -0.21 -2.11 0.15 0.00 -1.81 0.00 0.00 61.98 58.00 3kr5 s VAL 92 Cb 0.03 -2.60 0.42 0.00 0.56 0.00 0.00 36.38 34.79 3kr5 s VAL 92 CO 0.72 -0.37 1.31 -1.54 -0.31 0.00 0.00 175.10 174.91 3kr5 n SER 93 N -0.72 0.00 -0.76 4.85 3.41 -1.26 -2.17 113.62 116.98 3kr5 n SER 93 Ca -0.06 -0.48 0.09 0.00 -0.26 0.00 0.00 58.87 58.17 3kr5 n SER 93 Cb 0.59 0.00 0.08 0.00 -0.26 0.00 0.00 64.21 64.62 3kr5 n SER 93 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kr5 n LEU 94 N -0.99 2.57 -4.67 1.04 4.77 -1.26 -4.95 117.00 113.51 3kr5 n LEU 94 Ca 0.11 -1.00 -0.43 0.00 -0.03 0.00 0.00 56.01 54.67 3kr5 n LEU 94 Cb 0.05 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 3kr5 n LEU 94 CO 0.08 0.45 1.06 -1.81 -1.33 0.00 0.00 177.39 175.84 3kr5 s ASP 95 N -1.59 6.96 0.11 -1.43 1.01 -0.92 -4.98 116.67 115.83 3kr5 s ASP 95 Ca 0.22 1.74 -0.35 0.00 0.71 0.00 0.00 52.55 54.87 3kr5 s ASP 95 Cb 0.16 -2.54 -0.18 0.00 1.01 0.00 0.00 42.92 41.37 3kr5 s ASP 95 CO 0.24 -0.73 0.98 -0.81 0.21 0.00 0.00 175.17 175.06 3kr5 n PRO 96 N 6.30 0.42 -0.34 8.23 -0.04 -1.26 -4.89 135.00 143.42 3kr5 n PRO 96 Ca 0.13 0.15 0.08 0.00 -0.04 0.00 0.00 63.50 63.83 3kr5 n PRO 96 Cb 0.45 -1.53 0.21 0.00 -0.04 0.00 0.00 33.50 32.59 3kr5 n PRO 96 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3kr5 n THR 97 N 1.19 2.17 -3.60 0.52 -2.24 -1.26 -4.81 114.28 106.24 3kr5 n THR 97 Ca 0.18 -2.09 -0.05 0.00 -2.27 0.00 0.00 64.05 59.82 3kr5 n THR 97 Cb 0.18 -0.26 -0.03 0.00 -2.10 0.00 0.00 70.33 68.12 3kr5 n THR 97 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3kr5 s SER 98 N -2.32 -0.16 -0.18 3.42 1.04 -1.26 -4.69 113.70 109.56 3kr5 s SER 98 Ca 0.39 0.06 -0.29 0.00 0.48 0.00 0.00 55.95 56.59 3kr5 s SER 98 Cb 0.33 0.15 -0.01 0.00 0.10 0.00 0.00 66.02 66.59 3kr5 s SER 98 CO 0.06 -0.23 1.24 -0.63 0.98 0.00 0.00 173.24 174.66 3kr5 s ILE 99 N -1.99 4.32 0.21 -1.02 1.01 -1.25 -4.91 121.20 117.57 3kr5 s ILE 99 Ca 0.07 1.59 -0.30 0.00 0.00 0.00 0.00 60.65 62.02 3kr5 s ILE 99 Cb -0.01 -4.03 -0.09 0.00 0.01 0.00 0.00 42.46 38.34 3kr5 s ILE 99 CO -0.05 -0.15 1.28 -2.16 0.00 0.00 0.00 174.94 173.86 3kr5 s PRO 100 N 3.49 4.42 -0.06 2.79 0.04 -1.26 -5.02 135.00 139.39 3kr5 s PRO 100 Ca 0.54 2.02 -0.01 0.00 0.04 0.00 0.00 61.00 63.59 3kr5 s PRO 100 Cb -0.21 -3.19 0.03 0.00 0.04 0.00 0.00 34.50 31.16 3kr5 s PRO 100 CO 0.14 -0.20 -0.00 0.42 0.04 0.00 0.00 177.00 177.40 3kr5 s ILE 101 N -0.06 0.35 -0.11 0.56 -1.09 -1.26 -4.99 121.20 114.60 3kr5 s ILE 101 Ca 0.55 0.10 -0.21 0.00 -2.23 0.00 0.00 60.65 58.86 3kr5 s ILE 101 Cb -0.36 -0.48 -0.04 0.00 -1.58 0.00 0.00 42.46 40.01 3kr5 s ILE 101 CO 0.39 0.23 0.59 -1.61 -1.23 0.00 0.00 174.94 173.31 3kr5 s GLU 102 N 1.68 4.36 -0.05 2.79 2.02 -1.26 -4.95 118.70 123.29 3kr5 s GLU 102 Ca 0.00 0.64 -0.09 0.00 0.02 0.00 0.00 54.97 55.54 3kr5 s GLU 102 Cb -0.13 -3.46 -0.03 0.00 0.10 0.00 0.00 34.13 30.61 3kr5 s GLU 102 CO -0.04 0.06 -0.18 0.66 0.02 0.00 0.00 175.26 175.78 3kr5 n TYR 103 N 3.92 0.00 -2.56 1.61 4.02 -1.26 -4.85 117.16 118.04 3kr5 n TYR 103 Ca -0.04 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.43 3kr5 n TYR 103 Cb 0.51 -0.26 -0.02 0.00 -0.02 0.00 0.00 39.34 39.55 3kr5 n TYR 103 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3kr5 s ASN 104 N -5.81 6.46 0.23 7.72 0.01 -1.26 -4.99 114.94 117.30 3kr5 s ASN 104 Ca -0.15 0.21 0.08 0.00 -0.71 0.00 0.00 52.86 52.29 3kr5 s ASN 104 Cb 0.02 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 39.09 3kr5 s ASN 104 CO 0.22 -1.46 0.06 0.42 -1.51 0.00 0.00 177.10 174.83 3kr5 s THR 105 N 4.96 3.83 0.65 1.60 -4.23 -1.26 -4.97 115.64 116.23 3kr5 s THR 105 Ca 0.45 -1.61 0.29 0.00 -1.18 0.00 0.00 61.69 59.64 3kr5 s THR 105 Cb -0.08 -3.02 0.30 0.00 1.34 0.00 0.00 72.50 71.04 3kr5 s THR 105 CO 0.27 -0.29 1.89 -0.65 -0.54 0.00 0.00 174.62 175.30 3kr5 h PRO 106 N 2.02 0.00 0.00 3.99 0.11 -2.00 0.37 132.00 136.49 3kr5 h PRO 106 Ca -0.46 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.56 3kr5 h PRO 106 Cb 1.23 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 3kr5 h PRO 106 CO 0.60 0.00 -0.39 0.82 -0.21 0.00 0.00 178.00 178.81 3kr5 h ILE 107 N 0.00 0.86 0.00 4.15 1.08 -1.94 -2.77 117.51 118.89 3kr5 h ILE 107 Ca 0.03 -1.65 0.00 0.00 -0.39 0.00 0.00 64.86 62.85 3kr5 h ILE 107 Cb 0.78 2.02 0.00 0.00 -3.07 0.00 0.00 36.82 36.56 3kr5 h ILE 107 CO -0.00 0.39 0.00 1.41 -0.69 0.00 0.00 178.15 179.26 3kr5 n HIS 108 N -3.45 0.15 1.10 1.37 8.25 0.13 -2.93 115.22 119.83 3kr5 n HIS 108 Ca 0.00 0.04 0.12 0.00 -0.26 0.00 0.00 57.72 57.63 3kr5 n HIS 108 Cb 0.55 -0.57 0.25 0.00 1.12 0.00 0.00 29.99 31.34 3kr5 n HIS 108 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3kr5 n ASP 109 N -1.62 0.88 -4.66 0.41 8.00 -1.05 -4.89 116.55 113.62 3kr5 n ASP 109 Ca 0.07 -0.68 -0.43 0.00 0.71 0.00 0.00 54.79 54.46 3kr5 n ASP 109 Cb 0.34 0.29 -0.02 0.00 -0.02 0.00 0.00 41.12 41.71 3kr5 n ASP 109 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kr5 s ILE 110 N -2.75 4.51 0.06 0.53 1.01 -1.15 -4.81 121.20 118.59 3kr5 s ILE 110 Ca 0.17 1.81 -0.30 0.00 0.00 0.00 0.00 60.65 62.32 3kr5 s ILE 110 Cb 0.18 -4.21 -0.05 0.00 0.01 0.00 0.00 42.46 38.39 3kr5 s ILE 110 CO 0.63 -0.21 1.08 -0.54 0.00 0.00 0.00 174.94 175.90 3kr5 s LYS 111 N 3.39 4.53 -0.02 2.79 1.02 0.53 -4.89 119.74 127.09 3kr5 s LYS 111 Ca 0.48 1.60 0.05 0.00 0.02 0.00 0.00 55.97 58.12 3kr5 s LYS 111 Cb -0.17 -3.38 -0.03 0.00 -0.52 0.00 0.00 37.83 33.73 3kr5 s LYS 111 CO 0.11 -0.08 -0.17 0.08 -0.92 0.00 0.00 175.35 174.37 3kr5 s VAL 112 N 0.74 2.88 -0.02 3.17 1.01 -1.26 0.16 120.40 127.08 3kr5 s VAL 112 Ca 0.54 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.60 3kr5 s VAL 112 Cb -0.26 -2.15 0.03 0.00 0.00 0.00 0.00 36.38 34.01 3kr5 s VAL 112 CO 0.30 0.51 0.04 -1.10 0.00 0.00 0.00 175.10 174.84 3kr5 s GLN 113 N -0.95 -0.03 -0.29 2.72 -1.52 0.11 -4.96 119.66 114.73 3kr5 s GLN 113 Ca 0.12 0.20 -0.08 0.00 -1.95 0.00 0.00 55.36 53.65 3kr5 s GLN 113 Cb -0.11 -0.24 -0.01 0.00 -0.22 0.00 0.00 33.01 32.44 3kr5 s GLN 113 CO 0.02 -0.17 0.12 0.08 -0.25 0.00 0.00 175.29 175.09 3kr5 s VAL 114 N 1.06 4.38 0.17 1.09 1.01 -1.26 0.70 120.40 127.55 3kr5 s VAL 114 Ca -0.09 -0.44 0.06 0.00 0.00 0.00 0.00 61.98 61.51 3kr5 s VAL 114 Cb -0.13 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 3kr5 s VAL 114 CO -0.03 0.13 0.08 -0.31 0.00 0.00 0.00 175.10 174.97 3kr5 s TYR 115 N 1.59 3.03 0.34 5.22 4.12 0.18 -4.90 117.35 126.92 3kr5 s TYR 115 Ca 0.04 -0.07 -0.26 0.00 0.02 0.00 0.00 57.07 56.81 3kr5 s TYR 115 Cb -0.17 -1.46 -0.09 0.00 -1.52 0.00 0.00 41.96 38.72 3kr5 s TYR 115 CO 0.05 0.52 1.02 0.34 0.02 0.00 0.00 175.55 177.50 3kr5 s ASP 116 N -3.05 7.11 0.07 2.29 2.15 -1.26 -2.55 116.67 121.43 3kr5 s ASP 116 Ca 0.30 2.03 0.05 0.00 0.43 0.00 0.00 52.55 55.36 3kr5 s ASP 116 Cb -0.10 -2.60 -0.23 0.00 -0.30 0.00 0.00 42.92 39.69 3kr5 s ASP 116 CO 0.22 -0.24 1.10 -0.29 -0.17 0.00 0.00 175.17 175.79 3kr5 h ILE 117 N 2.60 1.47 -0.74 4.11 2.10 -1.63 -3.25 117.51 122.17 3kr5 h ILE 117 Ca -0.47 -3.17 0.21 0.00 1.08 0.00 0.00 64.86 62.51 3kr5 h ILE 117 Cb 1.21 2.78 -0.03 0.00 -1.09 0.00 0.00 36.82 39.69 3kr5 h ILE 117 CO 0.65 0.86 0.53 0.11 -1.08 0.00 0.00 178.15 179.22 3kr5 h LYS 118 N 0.02 0.01 0.00 2.19 1.57 -1.94 0.15 116.57 118.57 3kr5 h LYS 118 Ca -0.11 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3kr5 h LYS 118 Cb 1.87 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.18 3kr5 h LYS 118 CO 0.14 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.43 3kr5 n GLY 119 N -1.68 -0.88 0.04 3.86 0.00 -1.23 -4.98 105.19 100.33 3kr5 n GLY 119 Ca 0.15 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3kr5 n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kr5 n GLY 120 N 0.36 -2.74 3.84 -0.02 0.00 0.04 -4.98 105.19 101.69 3kr5 n GLY 120 Ca 0.10 -1.36 -0.37 0.00 0.00 0.00 0.00 46.02 44.40 3kr5 n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kr5 s ASN 122 N -0.74 6.46 -0.37 0.00 0.01 -1.26 0.17 114.94 119.21 3kr5 s ASN 122 Ca 0.15 0.51 0.01 0.00 -0.71 0.00 0.00 52.86 52.81 3kr5 s ASN 122 Cb -0.12 -2.07 0.12 0.00 0.41 0.00 0.00 41.25 39.58 3kr5 s ASN 122 CO 0.04 0.29 0.17 -0.69 -1.51 0.00 0.00 177.10 175.39 3kr5 s VAL 123 N -1.25 1.10 0.00 1.60 1.01 -1.26 -4.96 120.40 116.64 3kr5 s VAL 123 Ca 0.25 -1.96 0.00 0.00 0.00 0.00 0.00 61.98 60.27 3kr5 s VAL 123 Cb -0.13 -1.80 0.00 0.00 0.00 0.00 0.00 36.38 34.45 3kr5 s VAL 123 CO 0.14 -0.79 0.00 -0.62 0.00 0.00 0.00 175.10 173.83 3kr5 n GLU 124 N 4.20 3.04 -3.97 2.72 1.02 -1.26 -4.87 120.64 121.52 3kr5 n GLU 124 Ca 0.04 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.08 3kr5 n GLU 124 Cb 0.38 -0.94 -0.03 0.00 -0.02 0.00 0.00 31.44 30.82 3kr5 n GLU 124 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 3kr5 s GLU 125 N -1.87 1.76 2.35 3.49 -1.05 -1.26 -4.84 118.70 117.28 3kr5 s GLU 125 Ca 0.00 -1.35 0.00 0.00 -0.15 0.00 0.00 54.97 53.47 3kr5 s GLU 125 Cb 0.00 0.51 0.00 0.00 -0.44 0.00 0.00 34.13 34.20 3kr5 s GLU 125 CO 0.00 -0.76 0.00 0.41 0.95 0.00 0.00 175.26 175.86 3kr5 n GLY 126 N -0.45 0.89 3.45 -3.83 0.00 -1.26 -4.64 105.19 99.34 3kr5 n GLY 126 Ca -0.02 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 44.94 3kr5 n GLY 126 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kr5 s LEU 127 N 0.00 3.04 -0.21 0.99 2.96 0.67 -2.35 118.68 123.79 3kr5 s LEU 127 Ca 0.00 -0.20 -0.04 0.00 -0.22 0.00 0.00 54.13 53.67 3kr5 s LEU 127 Cb 0.00 -1.71 -0.02 0.00 0.50 0.00 0.00 46.19 44.96 3kr5 s LEU 127 CO 0.00 0.17 -0.02 -0.89 -1.32 0.00 0.00 176.35 174.29 3kr5 s THR 128 N 0.32 3.66 -0.10 3.68 2.01 -0.16 -0.67 115.64 124.37 3kr5 s THR 128 Ca -0.06 -0.41 0.03 0.00 0.31 0.00 0.00 61.69 61.56 3kr5 s THR 128 Cb -0.15 -2.66 0.01 0.00 0.01 0.00 0.00 72.50 69.71 3kr5 s THR 128 CO 0.04 0.43 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.57 3kr5 s ILE 129 N 1.21 1.79 -0.24 1.82 -1.09 0.53 -1.43 121.20 123.80 3kr5 s ILE 129 Ca 0.03 -0.84 -0.13 0.00 -2.23 0.00 0.00 60.65 57.48 3kr5 s ILE 129 Cb -0.14 -1.58 -0.04 0.00 -1.58 0.00 0.00 42.46 39.11 3kr5 s ILE 129 CO -0.00 0.50 0.26 -0.36 -1.23 0.00 0.00 174.94 174.11 3kr5 s PHE 130 N 0.63 3.31 -0.59 3.97 0.40 -0.82 0.54 117.98 125.42 3kr5 s PHE 130 Ca -0.13 0.36 -0.25 0.00 -0.60 0.00 0.00 56.93 56.31 3kr5 s PHE 130 Cb -0.16 -2.40 0.04 0.00 0.51 0.00 0.00 43.02 41.01 3kr5 s PHE 130 CO 0.04 -0.02 1.01 -0.51 0.70 0.00 0.00 175.22 176.43 3kr5 s LEU 131 N 1.35 3.97 0.05 -0.37 1.43 0.35 0.19 118.68 125.65 3kr5 s LEU 131 Ca 0.12 -0.39 0.09 0.00 -1.03 0.00 0.00 54.13 52.92 3kr5 s LEU 131 Cb -0.14 -2.79 -0.03 0.00 0.03 0.00 0.00 46.19 43.25 3kr5 s LEU 131 CO 0.07 -1.35 -0.26 0.68 0.23 0.00 0.00 176.35 175.72 3kr5 s VAL 132 N 4.26 2.15 0.07 -1.59 -7.23 -0.93 -1.28 120.40 115.86 3kr5 s VAL 132 Ca 0.31 -1.42 0.05 0.00 -1.81 0.00 0.00 61.98 59.12 3kr5 s VAL 132 Cb -0.12 -1.84 -0.03 0.00 0.56 0.00 0.00 36.38 34.94 3kr5 s VAL 132 CO 0.18 0.35 -0.14 0.54 -0.31 0.00 0.00 175.10 175.72 3kr5 s ASN 133 N -1.30 1.69 -0.86 4.85 4.22 -1.26 0.80 114.94 123.09 3kr5 s ASN 133 Ca 0.12 -0.63 -0.08 0.00 -2.14 0.00 0.00 52.86 50.12 3kr5 s ASN 133 Cb -0.10 -0.05 0.22 0.00 1.28 0.00 0.00 41.25 42.60 3kr5 s ASN 133 CO 0.02 -0.08 0.77 0.21 -2.04 0.00 0.00 177.10 175.98 3kr5 s ASN 134 N -1.79 6.42 0.50 3.54 3.84 -0.99 -4.90 114.94 121.56 3kr5 s ASN 134 Ca -0.01 -3.10 0.15 0.00 0.21 0.00 0.00 52.86 50.10 3kr5 s ASN 134 Cb -0.10 -2.08 1.19 0.00 -0.55 0.00 0.00 41.25 39.71 3kr5 s ASN 134 CO 0.02 -0.40 2.13 -0.65 -2.79 0.00 0.00 177.10 175.41 3kr5 h PRO 135 N 7.07 0.08 0.00 0.43 0.11 -1.82 -2.59 132.00 135.29 3kr5 h PRO 135 Ca 0.11 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.21 3kr5 h PRO 135 Cb 0.95 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3kr5 h PRO 135 CO 0.81 0.07 0.00 0.41 -0.21 0.00 0.00 178.00 179.08 3kr5 n GLY 136 N -1.49 -1.28 3.62 -0.55 0.00 -1.26 -4.80 105.19 99.42 3kr5 n GLY 136 Ca -0.02 -0.09 -0.04 0.00 0.00 0.00 0.00 46.02 45.87 3kr5 n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kr5 s LYS 137 N -2.91 0.55 0.07 1.61 -2.85 -0.98 -5.06 119.74 110.18 3kr5 s LYS 137 Ca 0.14 1.09 -0.30 0.00 -1.00 0.00 0.00 55.97 55.90 3kr5 s LYS 137 Cb 0.16 0.33 -0.10 0.00 -2.06 0.00 0.00 37.83 36.17 3kr5 s LYS 137 CO 0.43 -0.14 1.94 0.39 0.10 0.00 0.00 175.35 178.06 3kr5 n GLU 138 N 4.52 2.87 -2.40 1.78 4.71 -1.26 -0.89 120.64 129.97 3kr5 n GLU 138 Ca -0.17 1.05 -0.18 0.00 -0.01 0.00 0.00 57.16 57.85 3kr5 n GLU 138 Cb 0.56 -2.99 -0.00 0.00 -1.01 0.00 0.00 31.44 27.99 3kr5 n GLU 138 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 3kr5 n ASN 139 N 6.94 -5.31 -4.84 1.62 4.13 -1.26 -5.01 115.26 111.53 3kr5 n ASN 139 Ca 0.19 -0.04 -0.29 0.00 1.68 0.00 0.00 54.58 56.12 3kr5 n ASN 139 Cb 0.40 -4.36 0.10 0.00 -1.54 0.00 0.00 39.78 34.38 3kr5 n ASN 139 CO 0.00 0.00 0.00 -0.83 0.28 0.00 0.00 177.26 176.71 3kr5 s GLY 140 N -2.23 1.59 0.58 7.41 0.00 -0.07 -4.35 107.32 110.26 3kr5 s GLY 140 Ca 0.02 -0.51 -0.18 0.00 0.00 0.00 0.00 44.72 44.05 3kr5 s GLY 140 CO 0.03 -0.02 1.13 2.56 0.00 0.00 0.00 173.10 176.80 3kr5 s PRO 141 N -5.39 3.16 -0.18 2.90 0.04 -1.26 -0.83 135.00 133.43 3kr5 s PRO 141 Ca 0.62 1.55 -0.29 0.00 0.04 0.00 0.00 61.00 62.92 3kr5 s PRO 141 Cb -0.13 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 3kr5 s PRO 141 CO 0.52 -0.99 1.50 0.08 0.04 0.00 0.00 177.00 178.15 3kr5 s VAL 142 N -1.95 3.86 -0.15 -0.36 1.01 0.40 -4.75 120.40 118.46 3kr5 s VAL 142 Ca 0.71 1.00 0.01 0.00 0.00 0.00 0.00 61.98 63.70 3kr5 s VAL 142 Cb -0.23 -3.77 0.02 0.00 0.00 0.00 0.00 36.38 32.40 3kr5 s VAL 142 CO 0.32 -0.23 -0.16 -0.54 0.00 0.00 0.00 175.10 174.49 3kr5 s LYS 143 N 4.20 2.51 0.35 2.72 1.02 -1.26 -3.68 119.74 125.61 3kr5 s LYS 143 Ca 0.66 -0.65 -0.17 0.00 0.02 0.00 0.00 55.97 55.84 3kr5 s LYS 143 Cb -0.25 -2.23 -0.10 0.00 -0.52 0.00 0.00 37.83 34.74 3kr5 s LYS 143 CO 0.25 -0.20 0.80 0.42 -0.92 0.00 0.00 175.35 175.70 3kr5 s ILE 144 N 1.35 4.59 0.00 2.17 1.09 -1.26 -4.94 121.20 124.20 3kr5 s ILE 144 Ca 0.03 1.11 0.00 0.00 -1.10 0.00 0.00 60.65 60.69 3kr5 s ILE 144 Cb -0.13 -3.62 0.00 0.00 -1.06 0.00 0.00 42.46 37.65 3kr5 s ILE 144 CO -0.10 -0.21 0.00 -0.24 -0.10 0.00 0.00 174.94 174.29 3kr5 n SER 145 N -0.41 0.03 -4.88 3.58 2.88 -1.26 -4.97 113.62 108.58 3kr5 n SER 145 Ca 0.04 -0.04 -0.30 0.00 -1.33 0.00 0.00 58.87 57.25 3kr5 n SER 145 Cb 0.53 0.08 -0.03 0.00 -0.75 0.00 0.00 64.21 64.05 3kr5 n SER 145 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 3kr5 s SER 146 N -0.09 6.50 0.23 -3.46 0.01 -1.26 -5.02 113.70 110.61 3kr5 s SER 146 Ca 0.00 1.02 -0.31 0.00 1.31 0.00 0.00 55.95 57.97 3kr5 s SER 146 Cb 0.00 -2.28 -0.11 0.00 0.21 0.00 0.00 66.02 63.84 3kr5 s SER 146 CO 0.00 -0.35 1.61 -1.59 0.41 0.00 0.00 173.24 173.33 3kr5 s LYS 147 N -3.76 4.16 -0.16 12.44 0.00 -1.26 -4.91 119.74 126.24 3kr5 s LYS 147 Ca 0.49 2.51 0.01 0.00 0.00 0.00 0.00 55.97 58.98 3kr5 s LYS 147 Cb -0.10 -3.08 0.03 0.00 0.00 0.00 0.00 37.83 34.67 3kr5 s LYS 147 CO 0.31 -0.64 -0.14 0.08 0.00 0.00 0.00 175.35 174.95 3kr5 s VAL 148 N 0.64 1.65 -2.40 1.79 1.01 -1.26 0.71 120.40 122.54 3kr5 s VAL 148 Ca 0.68 -0.75 0.25 0.00 0.00 0.00 0.00 61.98 62.17 3kr5 s VAL 148 Cb -0.47 -1.57 0.52 0.00 0.00 0.00 0.00 36.38 34.85 3kr5 s VAL 148 CO 0.38 0.42 1.67 0.59 0.00 0.00 0.00 175.10 178.16 3kr5 n ASN 149 N 4.73 1.54 -4.67 3.32 3.02 0.13 -4.65 115.26 118.69 3kr5 n ASN 149 Ca -0.17 -1.58 -0.39 0.00 -0.03 0.00 0.00 54.58 52.41 3kr5 n ASN 149 Cb 0.49 -0.04 -0.06 0.00 -0.61 0.00 0.00 39.78 39.56 3kr5 n ASN 149 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3kr5 s ASP 150 N -1.82 6.65 0.48 6.41 2.15 -1.26 -4.97 116.67 124.31 3kr5 s ASP 150 Ca 0.36 0.79 0.24 0.00 0.43 0.00 0.00 52.55 54.36 3kr5 s ASP 150 Cb 0.20 -2.32 1.22 0.00 -0.30 0.00 0.00 42.92 41.71 3kr5 s ASP 150 CO 0.31 -0.20 1.98 0.07 -0.17 0.00 0.00 175.17 177.15 3kr5 h LYS 151 N 7.37 0.00 0.17 4.34 2.10 -1.99 -1.49 116.57 127.06 3kr5 h LYS 151 Ca -0.34 0.00 -0.33 0.00 -2.00 0.00 0.00 60.65 57.99 3kr5 h LYS 151 Cb 1.15 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.49 3kr5 h LYS 151 CO 0.76 0.18 -1.58 1.96 -2.00 0.00 0.00 179.45 178.77 3kr5 h GLN 152 N 0.00 0.35 -0.01 0.07 1.08 -1.92 -3.09 115.11 111.59 3kr5 h GLN 152 Ca -0.00 -0.60 -0.11 0.00 -1.45 0.00 0.00 58.65 56.49 3kr5 h GLN 152 Cb 0.46 0.22 0.01 0.00 -0.05 0.00 0.00 27.48 28.13 3kr5 h GLN 152 CO 0.02 1.25 -0.44 0.28 -0.95 0.00 0.00 178.83 179.00 3kr5 h VAL 153 N 0.10 1.47 -0.90 -0.54 2.07 -1.86 -2.70 116.25 113.89 3kr5 h VAL 153 Ca -0.27 -1.99 0.26 0.00 0.82 0.00 0.00 66.70 65.51 3kr5 h VAL 153 Cb 2.07 2.64 -0.04 0.00 -1.52 0.00 0.00 31.29 34.44 3kr5 h VAL 153 CO 0.19 0.57 0.70 0.28 0.02 0.00 0.00 177.57 179.32 3kr5 h SER 154 N -0.27 0.00 0.15 0.57 0.02 -1.41 0.21 113.55 112.83 3kr5 h SER 154 Ca -0.05 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 3kr5 h SER 154 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 3kr5 h SER 154 CO 0.09 0.00 -0.07 -0.08 -1.14 0.00 0.00 176.83 175.62 3kr5 h GLU 155 N 0.00 -0.19 -0.99 3.45 4.57 -1.44 -3.04 114.58 116.94 3kr5 h GLU 155 Ca 0.43 0.01 0.22 0.00 -1.18 0.00 0.00 59.36 58.84 3kr5 h GLU 155 Cb 1.82 0.04 -0.09 0.00 -0.16 0.00 0.00 28.75 30.36 3kr5 h GLU 155 CO -0.00 0.22 0.62 0.35 -1.18 0.00 0.00 179.01 179.02 3kr5 h PHE 156 N -0.69 0.80 -0.09 0.92 3.57 -0.32 0.15 116.94 121.27 3kr5 h PHE 156 Ca -0.02 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3kr5 h PHE 156 Cb 0.50 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.00 3kr5 h PHE 156 CO 0.07 0.15 0.00 1.28 -2.23 0.00 0.00 178.31 177.58 3kr5 n LEU 157 N -4.65 0.71 -3.96 0.59 4.77 -0.35 -4.55 117.00 109.56 3kr5 n LEU 157 Ca 0.23 -0.32 -0.53 0.00 -0.03 0.00 0.00 56.01 55.36 3kr5 n LEU 157 Cb 0.70 -0.06 -0.07 0.00 -2.33 0.00 0.00 43.42 41.66 3kr5 n LEU 157 CO 0.25 0.16 0.58 0.29 -1.33 0.00 0.00 177.39 177.34 3kr5 n LYS 158 N -0.24 0.00 -0.34 3.23 5.02 0.53 -4.63 118.16 121.73 3kr5 n LYS 158 Ca 0.11 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.52 3kr5 n LYS 158 Cb 0.15 -1.31 0.32 0.00 -0.02 0.00 0.00 35.03 34.18 3kr5 n LYS 158 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3kr5 h ASP 159 N 2.89 0.78 0.39 4.39 5.19 -1.90 0.24 116.42 128.40 3kr5 h ASP 159 Ca -0.44 0.07 -0.04 0.00 -0.62 0.00 0.00 57.03 56.00 3kr5 h ASP 159 Cb 1.24 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.67 3kr5 h ASP 159 CO 0.61 0.34 -0.19 -0.33 -3.12 0.00 0.00 179.24 176.55 3kr5 h GLU 160 N 0.80 0.00 0.14 3.56 3.07 -1.95 -2.64 114.58 117.56 3kr5 h GLU 160 Ca 0.53 0.00 -0.01 0.00 -0.50 0.00 0.00 59.36 59.38 3kr5 h GLU 160 Cb 0.78 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.69 3kr5 h GLU 160 CO -0.30 0.19 -0.07 -0.91 -1.40 0.00 0.00 179.01 176.52 3kr5 h ASN 161 N 0.00 -0.16 1.41 1.42 4.21 -0.86 -3.38 115.58 118.22 3kr5 h ASN 161 Ca -0.00 -0.38 0.00 0.00 1.21 0.00 0.00 56.30 57.13 3kr5 h ASN 161 Cb 0.44 0.04 0.00 0.00 -1.12 0.00 0.00 38.32 37.68 3kr5 h ASN 161 CO 0.02 0.41 0.00 0.24 -1.29 0.00 0.00 177.43 176.82 3kr5 h MET 162 N -0.86 0.00 0.00 0.81 2.86 -1.17 -2.69 114.93 113.88 3kr5 h MET 162 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3kr5 h MET 162 Cb 0.53 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.19 3kr5 h MET 162 CO 0.03 0.00 0.00 -0.85 1.06 0.00 0.00 176.91 177.15 3kr5 n GLU 163 N -3.08 0.08 0.00 1.72 0.28 -1.00 -1.27 120.64 117.36 3kr5 n GLU 163 Ca 0.02 0.14 0.10 0.00 -0.16 0.00 0.00 57.16 57.26 3kr5 n GLU 163 Cb 0.40 -1.50 0.55 0.00 1.43 0.00 0.00 31.44 32.31 3kr5 n GLU 163 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 3kr5 n LYS 164 N -1.44 0.40 -4.35 3.44 4.01 -1.01 -4.70 118.16 114.51 3kr5 n LYS 164 Ca 0.06 0.07 -0.21 0.00 -0.51 0.00 0.00 58.31 57.72 3kr5 n LYS 164 Cb 0.22 -1.50 -0.13 0.00 -0.51 0.00 0.00 35.03 33.11 3kr5 n LYS 164 CO 0.00 0.00 0.00 -0.06 -1.11 0.00 0.00 177.40 176.23 3kr5 s PHE 165 N -2.40 1.41 0.00 2.13 0.40 -0.40 -5.10 117.98 114.03 3kr5 s PHE 165 Ca 0.23 -0.39 0.00 0.00 -0.60 0.00 0.00 56.93 56.17 3kr5 s PHE 165 Cb 0.14 -0.82 0.00 0.00 0.51 0.00 0.00 43.02 42.85 3kr5 s PHE 165 CO 0.29 0.08 0.00 0.27 0.70 0.00 0.00 175.22 176.56 3kr5 n ASN 166 N 1.61 0.09 0.00 1.36 0.23 -1.26 -0.45 115.26 116.85 3kr5 n ASN 166 Ca -0.19 -0.27 0.00 0.00 -0.53 0.00 0.00 54.58 53.59 3kr5 n ASN 166 Cb 0.54 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.24 3kr5 n ASN 166 CO 0.00 0.00 0.00 0.55 -0.93 0.00 0.00 177.26 176.88 3kr5 n VAL 167 N -0.25 0.00 -0.22 3.53 3.14 -0.01 -4.14 118.33 120.37 3kr5 n VAL 167 Ca 0.00 -0.18 -0.09 0.00 -2.96 0.00 0.00 64.34 61.11 3kr5 n VAL 167 Cb 0.00 1.34 -0.01 0.00 -1.06 0.00 0.00 33.84 34.10 3kr5 n VAL 167 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 3kr5 n LYS 168 N -0.17 0.00 -1.68 1.45 3.00 -1.26 -1.98 118.16 117.53 3kr5 n LYS 168 Ca 0.00 0.00 -0.59 0.00 -0.00 0.00 0.00 58.31 57.72 3kr5 n LYS 168 Cb 0.08 -0.21 -0.08 0.00 0.00 0.00 0.00 35.03 34.83 3kr5 n LYS 168 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 3kr5 n LEU 169 N 0.71 2.14 0.00 3.14 7.94 -1.26 -1.07 117.00 128.61 3kr5 n LEU 169 Ca 0.05 1.02 0.00 0.00 -1.11 0.00 0.00 56.01 55.98 3kr5 n LEU 169 Cb -0.01 -1.10 0.00 0.00 0.53 0.00 0.00 43.42 42.84 3kr5 n LEU 169 CO 0.12 -0.52 0.00 0.61 -1.11 0.00 0.00 177.39 176.50 3kr5 n GLY 170 N 4.51 0.35 3.81 -3.96 0.00 0.15 -4.89 105.19 105.17 3kr5 n GLY 170 Ca 0.30 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.97 3kr5 n GLY 170 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kr5 s THR 171 N -2.11 4.45 0.14 2.61 2.01 -0.23 -4.71 115.64 117.81 3kr5 s THR 171 Ca 0.00 1.42 -0.08 0.00 0.31 0.00 0.00 61.69 63.33 3kr5 s THR 171 Cb 0.00 -3.79 -0.01 0.00 0.01 0.00 0.00 72.50 68.72 3kr5 s THR 171 CO 0.00 -0.02 0.25 -0.94 -0.69 0.00 0.00 174.62 173.22 3kr5 s SER 172 N -1.90 0.08 -0.09 3.53 1.04 -1.26 0.38 113.70 115.47 3kr5 s SER 172 Ca 0.52 -0.83 -0.12 0.00 0.48 0.00 0.00 55.95 56.00 3kr5 s SER 172 Cb -0.14 0.40 0.03 0.00 0.10 0.00 0.00 66.02 66.41 3kr5 s SER 172 CO 0.19 -0.84 0.32 -0.54 0.98 0.00 0.00 173.24 173.34 3kr5 s LYS 173 N -3.94 0.45 -0.05 4.02 -0.14 -1.14 -5.00 119.74 113.94 3kr5 s LYS 173 Ca 0.14 0.27 -0.08 0.00 -1.36 0.00 0.00 55.97 54.95 3kr5 s LYS 173 Cb 0.04 0.21 0.01 0.00 -1.68 0.00 0.00 37.83 36.42 3kr5 s LYS 173 CO -0.03 -0.08 0.19 -3.38 -0.76 0.00 0.00 175.35 171.29 3kr5 s HIS 174 N -0.24 -0.14 0.31 3.18 -3.43 -1.26 -1.16 115.29 112.54 3kr5 s HIS 174 Ca -0.04 0.32 0.11 0.00 -0.80 0.00 0.00 55.06 54.65 3kr5 s HIS 174 Cb -0.03 0.04 -0.06 0.00 -1.43 0.00 0.00 32.58 31.10 3kr5 s HIS 174 CO 0.01 -0.18 -0.13 -0.06 -2.00 0.00 0.00 174.74 172.38 3kr5 s PHE 175 N -0.45 2.38 -0.17 0.38 0.08 -0.66 -4.94 117.98 114.60 3kr5 s PHE 175 Ca -0.05 -0.40 -0.06 0.00 0.12 0.00 0.00 56.93 56.53 3kr5 s PHE 175 Cb -0.04 -1.19 -0.04 0.00 -0.57 0.00 0.00 43.02 41.18 3kr5 s PHE 175 CO 0.01 0.64 0.04 0.71 -0.10 0.00 0.00 175.22 176.52 3kr5 s TYR 176 N -2.54 3.20 0.25 0.36 1.51 -1.26 -1.35 117.35 117.52 3kr5 s TYR 176 Ca 0.31 -0.01 -0.02 0.00 -1.01 0.00 0.00 57.07 56.35 3kr5 s TYR 176 Cb -0.02 -2.04 -0.03 0.00 -0.11 0.00 0.00 41.96 39.77 3kr5 s TYR 176 CO 0.16 0.13 0.27 0.00 -1.11 0.00 0.00 175.55 175.00 3kr5 s MET 177 N 0.29 1.47 -0.18 -0.62 0.23 -0.49 -5.02 119.30 114.98 3kr5 s MET 177 Ca 0.02 -1.66 -0.14 0.00 -1.03 0.00 0.00 55.69 52.88 3kr5 s MET 177 Cb -0.13 0.34 -0.05 0.00 -1.53 0.00 0.00 34.83 33.47 3kr5 s MET 177 CO 0.01 -0.54 0.30 -0.06 -2.03 0.00 0.00 175.02 172.70 3kr5 s PHE 178 N -3.84 3.42 0.00 3.16 0.08 -1.26 -2.19 117.98 117.35 3kr5 s PHE 178 Ca 0.35 0.55 0.00 0.00 0.12 0.00 0.00 56.93 57.95 3kr5 s PHE 178 Cb 0.04 -2.37 0.00 0.00 -0.57 0.00 0.00 43.02 40.11 3kr5 s PHE 178 CO 0.16 0.16 0.00 0.27 -0.10 0.00 0.00 175.22 175.70 3kr5 n ASN 179 N 3.89 0.00 0.29 1.36 6.94 -0.97 -4.78 115.26 121.99 3kr5 n ASN 179 Ca -0.11 -0.74 0.15 0.00 -0.02 0.00 0.00 54.58 53.86 3kr5 n ASN 179 Cb 0.52 0.00 0.90 0.00 -2.36 0.00 0.00 39.78 38.84 3kr5 n ASN 179 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 3kr5 h ASP 180 N 0.00 0.00 -1.39 0.53 3.32 -1.89 -3.09 116.42 113.90 3kr5 h ASP 180 Ca 0.00 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.40 3kr5 h ASP 180 Cb 0.00 0.00 -0.35 0.00 0.22 0.00 0.00 39.33 39.20 3kr5 h ASP 180 CO 0.00 0.03 0.10 0.59 -1.72 0.00 0.00 179.24 178.24 3kr5 n ASN 181 N -3.70 6.19 -3.53 6.45 3.02 -1.26 -4.90 115.26 117.53 3kr5 n ASN 181 Ca -0.03 -3.78 -0.25 0.00 -0.03 0.00 0.00 54.58 50.49 3kr5 n ASN 181 Cb 0.12 -0.72 -0.05 0.00 -0.61 0.00 0.00 39.78 38.53 3kr5 n ASN 181 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 3kr5 n LYS 182 N -0.64 -1.37 -4.96 3.52 2.85 -1.17 -4.88 118.16 111.51 3kr5 n LYS 182 Ca 0.49 0.08 -0.32 0.00 -1.05 0.00 0.00 58.31 57.51 3kr5 n LYS 182 Cb 0.60 -4.02 -0.14 0.00 -0.65 0.00 0.00 35.03 30.82 3kr5 n LYS 182 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 177.40 176.55 3kr5 s ASN 183 N -2.56 3.76 -0.20 -5.58 0.02 -1.26 -4.95 114.94 104.16 3kr5 s ASN 183 Ca 0.50 -0.33 -0.29 0.00 -1.02 0.00 0.00 52.86 51.72 3kr5 s ASN 183 Cb -0.29 -1.09 -0.01 0.00 0.02 0.00 0.00 41.25 39.88 3kr5 s ASN 183 CO 0.61 0.26 1.32 -0.55 0.02 0.00 0.00 177.10 178.76 3kr5 s SER 184 N -0.23 6.80 0.24 -1.22 0.15 -1.26 -2.28 113.70 115.90 3kr5 s SER 184 Ca 0.00 1.57 0.11 0.00 0.70 0.00 0.00 55.95 58.33 3kr5 s SER 184 Cb -0.13 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.59 3kr5 s SER 184 CO 0.03 -0.91 -0.21 0.68 1.20 0.00 0.00 173.24 174.04 3kr5 s VAL 185 N 3.93 2.37 -0.07 4.45 -7.23 -0.93 -4.60 120.40 118.32 3kr5 s VAL 185 Ca 0.57 -2.26 0.04 0.00 -1.81 0.00 0.00 61.98 58.53 3kr5 s VAL 185 Cb -0.21 -2.21 -0.02 0.00 0.56 0.00 0.00 36.38 34.50 3kr5 s VAL 185 CO 0.19 -0.31 -0.19 0.00 -0.31 0.00 0.00 175.10 174.48 3kr5 s ALA 186 N -2.24 2.45 -0.06 1.32 0.00 -0.99 -1.40 121.76 120.84 3kr5 s ALA 186 Ca 0.26 -1.00 -0.01 0.00 0.00 0.00 0.00 51.96 51.22 3kr5 s ALA 186 Cb -0.06 -0.88 0.03 0.00 0.00 0.00 0.00 23.12 22.20 3kr5 s ALA 186 CO 0.13 0.44 -0.00 0.08 0.00 0.00 0.00 175.76 176.41 3kr5 s VAL 187 N -0.31 0.33 0.00 0.00 1.01 -0.46 -0.99 120.40 119.98 3kr5 s VAL 187 Ca 0.02 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.10 3kr5 s VAL 187 Cb -0.13 -0.46 0.00 0.00 0.00 0.00 0.00 36.38 35.79 3kr5 s VAL 187 CO 0.02 0.23 0.00 0.61 0.00 0.00 0.00 175.10 175.96 3kr5 n GLY 188 N 4.79 4.18 3.13 4.51 0.00 -0.51 -1.66 105.19 119.64 3kr5 n GLY 188 Ca -0.13 -1.45 -0.11 0.00 0.00 0.00 0.00 46.02 44.32 3kr5 n GLY 188 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kr5 s TYR 189 N -2.37 0.01 -0.11 1.61 1.13 -0.31 -1.95 117.35 115.37 3kr5 s TYR 189 Ca 0.00 -0.10 0.03 0.00 -1.41 0.00 0.00 57.07 55.59 3kr5 s TYR 189 Cb 0.00 -0.03 -0.00 0.00 -1.10 0.00 0.00 41.96 40.83 3kr5 s TYR 189 CO 0.00 -0.32 -0.22 0.08 -2.51 0.00 0.00 175.55 172.58 3kr5 s VAL 190 N -1.52 2.23 -0.02 -3.49 1.01 0.13 -2.87 120.40 115.87 3kr5 s VAL 190 Ca -0.13 -0.95 -0.30 0.00 0.00 0.00 0.00 61.98 60.59 3kr5 s VAL 190 Cb -0.06 -1.87 -0.05 0.00 0.00 0.00 0.00 36.38 34.39 3kr5 s VAL 190 CO 0.01 0.55 1.42 -0.83 0.00 0.00 0.00 175.10 176.26 3kr5 s GLY 191 N 0.40 1.79 -0.50 4.51 0.00 0.16 -2.19 107.32 111.49 3kr5 s GLY 191 Ca -0.16 0.85 0.02 0.00 0.00 0.00 0.00 44.72 45.44 3kr5 s GLY 191 CO 0.07 2.58 1.73 0.00 0.00 0.00 0.00 173.10 177.49 3kr5 n GLY 193 N -0.91 0.75 0.00 0.00 0.00 -0.84 -4.41 105.19 99.79 3kr5 n GLY 193 Ca 0.54 -0.80 0.01 0.00 0.00 0.00 0.00 46.02 45.77 3kr5 n GLY 193 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kr5 n SER 194 N -2.62 0.82 -4.73 1.61 7.64 -1.26 -2.34 113.62 112.74 3kr5 n SER 194 Ca 0.00 -0.44 -0.41 0.00 1.01 0.00 0.00 58.87 59.03 3kr5 n SER 194 Cb 0.00 1.01 -0.05 0.00 -1.01 0.00 0.00 64.21 64.16 3kr5 n SER 194 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3kr5 s VAL 195 N -1.28 4.62 0.12 0.44 1.01 -1.26 -4.12 120.40 119.92 3kr5 s VAL 195 Ca 0.00 1.89 -0.12 0.00 0.00 0.00 0.00 61.98 63.76 3kr5 s VAL 195 Cb 0.01 -4.24 -0.12 0.00 0.00 0.00 0.00 36.38 32.03 3kr5 s VAL 195 CO 0.05 0.33 1.36 0.00 0.00 0.00 0.00 175.10 176.84 3kr5 h ALA 196 N 5.70 0.39 -1.94 5.51 0.00 -1.94 -3.41 119.26 123.57 3kr5 h ALA 196 Ca -0.43 -0.56 -0.71 0.00 0.00 0.00 0.00 54.91 53.21 3kr5 h ALA 196 Cb 1.21 -0.05 -0.20 0.00 0.00 0.00 0.00 17.79 18.75 3kr5 h ALA 196 CO 0.72 0.68 0.10 -0.51 0.00 0.00 0.00 179.25 180.24 3kr5 s ASP 197 N -7.03 6.21 0.24 0.00 -0.00 -1.26 -4.46 116.67 110.37 3kr5 s ASP 197 Ca -0.10 -1.52 -0.30 0.00 -0.00 0.00 0.00 52.55 50.63 3kr5 s ASP 197 Cb 0.09 -2.29 -0.10 0.00 -0.00 0.00 0.00 42.92 40.63 3kr5 s ASP 197 CO 0.90 -1.08 1.36 -0.76 -0.00 0.00 0.00 175.17 175.59 3kr5 s LEU 198 N 2.52 4.41 0.80 1.23 1.43 -1.26 -5.00 118.68 122.80 3kr5 s LEU 198 Ca 0.11 2.55 -0.12 0.00 -1.03 0.00 0.00 54.13 55.64 3kr5 s LEU 198 Cb -0.24 -3.62 0.07 0.00 0.03 0.00 0.00 46.19 42.43 3kr5 s LEU 198 CO 0.05 -0.60 1.15 -0.94 0.23 0.00 0.00 176.35 176.24 3kr5 s SER 199 N 0.23 4.59 0.14 2.29 1.04 -1.26 -4.88 113.70 115.85 3kr5 s SER 199 Ca 0.57 0.92 -0.17 0.00 0.48 0.00 0.00 55.95 57.74 3kr5 s SER 199 Cb -0.39 -1.51 0.01 0.00 0.10 0.00 0.00 66.02 64.23 3kr5 s SER 199 CO 0.42 -1.86 1.76 -0.08 0.98 0.00 0.00 173.24 174.46 3kr5 h GLU 200 N -1.02 0.27 -0.90 4.02 4.22 -1.94 -1.93 114.58 117.30 3kr5 h GLU 200 Ca -0.46 -0.02 0.01 0.00 0.08 0.00 0.00 59.36 58.97 3kr5 h GLU 200 Cb 1.31 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 30.45 3kr5 h GLU 200 CO 0.65 0.18 0.59 0.00 -2.18 0.00 0.00 179.01 178.24 3kr5 h ALA 201 N 1.17 1.34 -0.02 2.92 0.00 -1.94 -2.20 119.26 120.53 3kr5 h ALA 201 Ca 0.13 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 3kr5 h ALA 201 Cb 0.07 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.50 3kr5 h ALA 201 CO -0.11 0.61 -0.05 -0.44 0.00 0.00 0.00 179.25 179.26 3kr5 h ASP 202 N 1.23 0.07 -1.04 0.00 3.45 -1.90 -3.02 116.42 115.20 3kr5 h ASP 202 Ca 0.33 -0.62 0.27 0.00 0.43 0.00 0.00 57.03 57.43 3kr5 h ASP 202 Cb -0.12 -0.02 -0.11 0.00 -0.56 0.00 0.00 39.33 38.52 3kr5 h ASP 202 CO -0.07 0.68 0.65 -0.03 -1.57 0.00 0.00 179.24 178.90 3kr5 h MET 203 N -0.54 0.43 -0.35 3.56 4.05 -1.22 0.23 114.93 121.09 3kr5 h MET 203 Ca -0.00 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 59.39 3kr5 h MET 203 Cb 0.67 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.36 3kr5 h MET 203 CO 0.01 0.29 0.23 0.87 0.23 0.00 0.00 176.91 178.54 3kr5 h LYS 204 N 0.45 0.47 -0.74 0.39 1.57 -1.35 0.17 116.57 117.53 3kr5 h LYS 204 Ca 0.63 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 59.33 3kr5 h LYS 204 Cb 1.45 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.63 3kr5 h LYS 204 CO -0.37 0.32 0.27 0.00 -0.57 0.00 0.00 179.45 179.09 3kr5 h ARG 205 N 0.48 1.12 -0.17 3.15 3.08 -0.50 0.62 114.38 122.15 3kr5 h ARG 205 Ca 0.13 -0.21 0.04 0.00 0.07 0.00 0.00 59.98 60.01 3kr5 h ARG 205 Cb -0.05 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 29.79 3kr5 h ARG 205 CO -0.03 0.92 -0.07 0.28 -1.07 0.00 0.00 179.97 180.00 3kr5 h VAL 206 N 1.08 0.76 -0.38 2.04 2.07 -0.86 -1.89 116.25 119.07 3kr5 h VAL 206 Ca 0.24 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.63 3kr5 h VAL 206 Cb 0.24 0.76 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 3kr5 h VAL 206 CO -0.02 0.00 -0.31 0.58 0.02 0.00 0.00 177.57 177.84 3kr5 h VAL 207 N -0.05 1.28 -0.08 2.57 2.07 0.16 -2.85 116.25 119.35 3kr5 h VAL 207 Ca 0.09 -1.47 0.03 0.00 0.82 0.00 0.00 66.70 66.17 3kr5 h VAL 207 Cb 0.19 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 3kr5 h VAL 207 CO -0.20 0.49 -0.10 -0.07 0.02 0.00 0.00 177.57 177.71 3kr5 h LEU 208 N 0.70 -0.29 0.23 2.57 3.38 0.26 0.11 115.31 122.27 3kr5 h LEU 208 Ca 0.08 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 3kr5 h LEU 208 Cb 0.86 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 3kr5 h LEU 208 CO 0.08 -0.13 -0.19 -1.28 0.09 0.00 0.00 178.44 177.00 3kr5 h SER 209 N -0.13 -0.50 -0.89 -0.43 0.87 -1.30 0.19 113.55 111.36 3kr5 h SER 209 Ca 0.06 0.04 0.09 0.00 -1.23 0.00 0.00 61.79 60.76 3kr5 h SER 209 Cb 0.22 0.17 -0.12 0.00 -0.44 0.00 0.00 62.40 62.22 3kr5 h SER 209 CO -0.15 -0.29 -0.54 0.25 -0.53 0.00 0.00 176.83 175.56 3kr5 h LEU 210 N -0.43 -1.97 -0.39 2.23 5.85 -1.40 -2.05 115.31 117.14 3kr5 h LEU 210 Ca -0.01 0.31 0.08 0.00 0.84 0.00 0.00 57.88 59.10 3kr5 h LEU 210 Cb 0.39 0.88 -0.07 0.00 0.37 0.00 0.00 40.66 42.24 3kr5 h LEU 210 CO -0.02 -0.27 -0.07 0.58 -0.34 0.00 0.00 178.44 178.32 3kr5 h VAL 211 N -0.07 0.64 -0.89 1.05 2.07 -0.11 0.30 116.25 119.24 3kr5 h VAL 211 Ca 0.18 -0.01 0.28 0.00 0.82 0.00 0.00 66.70 67.97 3kr5 h VAL 211 Cb 0.47 0.60 -0.16 0.00 -1.52 0.00 0.00 31.29 30.68 3kr5 h VAL 211 CO -0.89 0.01 0.14 0.41 0.02 0.00 0.00 177.57 177.26 3kr5 n THR 212 N -5.27 -0.37 -0.03 2.57 -1.04 0.61 -0.73 114.28 110.01 3kr5 n THR 212 Ca 0.02 1.92 -0.14 0.00 -2.04 0.00 0.00 64.05 63.82 3kr5 n THR 212 Cb 0.21 -2.89 -0.09 0.00 -1.82 0.00 0.00 70.33 65.74 3kr5 n THR 212 CO 0.00 0.00 0.00 0.24 -0.64 0.00 0.00 175.07 174.67 3kr5 h MET 213 N 0.00 0.21 -0.39 -2.82 2.07 -0.01 -2.49 114.93 111.50 3kr5 h MET 213 Ca 0.60 -0.15 0.11 0.00 -2.07 0.00 0.00 59.70 58.20 3kr5 h MET 213 Cb 1.35 0.02 -0.02 0.00 -1.87 0.00 0.00 31.60 31.08 3kr5 h MET 213 CO -0.80 0.76 0.30 -0.07 1.07 0.00 0.00 176.91 178.17 3kr5 h LEU 214 N -0.31 0.00 -0.29 1.22 3.38 -0.22 -2.37 115.31 116.72 3kr5 h LEU 214 Ca -0.00 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.77 3kr5 h LEU 214 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 3kr5 h LEU 214 CO 0.03 0.00 -0.60 0.45 0.09 0.00 0.00 178.44 178.41 3kr5 h HIS 215 N 0.00 1.06 -0.34 1.13 3.86 -0.73 -3.20 115.15 116.92 3kr5 h HIS 215 Ca 0.19 -0.40 0.00 0.00 -1.16 0.00 0.00 60.37 59.00 3kr5 h HIS 215 Cb 0.79 -0.19 0.00 0.00 1.06 0.00 0.00 27.41 29.06 3kr5 h HIS 215 CO 0.00 1.22 0.00 -0.25 0.86 0.00 0.00 177.93 179.76 3kr5 n ASP 216 N -3.98 2.93 -3.78 2.45 10.43 -0.92 -4.89 116.55 118.79 3kr5 n ASP 216 Ca -0.05 -2.29 -0.13 0.00 2.57 0.00 0.00 54.79 54.89 3kr5 n ASP 216 Cb 0.65 -0.46 -0.13 0.00 1.84 0.00 0.00 41.12 43.03 3kr5 n ASP 216 CO 0.00 0.00 0.00 0.20 -1.07 0.00 0.00 177.20 176.33 3kr5 s ASN 217 N -0.65 -0.21 -0.15 -2.24 0.01 -1.06 -5.06 114.94 105.58 3kr5 s ASN 217 Ca 0.28 0.43 -0.25 0.00 -0.71 0.00 0.00 52.86 52.60 3kr5 s ASN 217 Cb 0.19 0.39 -0.02 0.00 0.41 0.00 0.00 41.25 42.22 3kr5 s ASN 217 CO 0.12 -0.10 0.82 -0.54 -1.51 0.00 0.00 177.10 175.89 3kr5 s LYS 218 N 0.50 4.33 -0.07 -0.60 1.02 -1.26 -4.80 119.74 118.85 3kr5 s LYS 218 Ca -0.03 1.01 -0.03 0.00 0.02 0.00 0.00 55.97 56.94 3kr5 s LYS 218 Cb -0.05 -3.55 0.04 0.00 -0.52 0.00 0.00 37.83 33.75 3kr5 s LYS 218 CO -0.02 -0.26 0.15 -0.51 -0.92 0.00 0.00 175.35 173.78 3kr5 s LEU 219 N 1.91 0.70 0.25 3.17 1.43 -1.26 -4.98 118.68 119.90 3kr5 s LEU 219 Ca 0.39 0.30 -0.05 0.00 -1.03 0.00 0.00 54.13 53.74 3kr5 s LEU 219 Cb -0.17 0.36 0.28 0.00 0.03 0.00 0.00 46.19 46.69 3kr5 s LEU 219 CO 0.14 -0.15 1.84 0.77 0.23 0.00 0.00 176.35 179.17 3kr5 h SER 220 N 7.28 1.00 -3.67 2.29 4.64 -1.96 -3.20 113.55 119.93 3kr5 h SER 220 Ca -0.42 -0.13 -0.27 0.00 -0.47 0.00 0.00 61.79 60.50 3kr5 h SER 220 Cb 1.14 -0.26 -0.30 0.00 -0.31 0.00 0.00 62.40 62.67 3kr5 h SER 220 CO 0.42 0.86 -0.73 -0.75 -0.87 0.00 0.00 176.83 175.76 3kr5 s LYS 221 N -5.57 0.04 -0.18 4.77 2.20 -1.26 -0.99 119.74 118.76 3kr5 s LYS 221 Ca -0.12 0.05 -0.04 0.00 -0.36 0.00 0.00 55.97 55.50 3kr5 s LYS 221 Cb 0.16 -0.14 -0.03 0.00 -1.51 0.00 0.00 37.83 36.32 3kr5 s LYS 221 CO 0.82 -0.05 -0.02 -1.17 -0.36 0.00 0.00 175.35 174.57 3kr5 s LEU 222 N 0.37 3.26 -0.28 5.43 2.96 0.12 -0.24 118.68 130.31 3kr5 s LEU 222 Ca -0.03 -0.16 -0.05 0.00 -0.22 0.00 0.00 54.13 53.67 3kr5 s LEU 222 Cb -0.05 -1.80 0.02 0.00 0.50 0.00 0.00 46.19 44.85 3kr5 s LEU 222 CO -0.01 0.12 0.02 -0.89 -1.32 0.00 0.00 176.35 174.28 3kr5 s THR 223 N 0.64 3.53 -0.13 3.68 2.01 0.16 0.45 115.64 125.98 3kr5 s THR 223 Ca -0.01 -0.82 -0.07 0.00 0.31 0.00 0.00 61.69 61.10 3kr5 s THR 223 Cb -0.14 -2.81 -0.04 0.00 0.01 0.00 0.00 72.50 69.52 3kr5 s THR 223 CO 0.02 0.13 0.11 -0.69 -0.69 0.00 0.00 174.62 173.50 3kr5 s VAL 224 N 1.43 5.22 -0.18 3.82 1.01 0.75 -0.35 120.40 132.10 3kr5 s VAL 224 Ca 0.02 0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.11 3kr5 s VAL 224 Cb -0.17 -3.29 0.03 0.00 0.00 0.00 0.00 36.38 32.96 3kr5 s VAL 224 CO -0.00 0.58 -0.15 -0.69 0.00 0.00 0.00 175.10 174.84 3kr5 s VAL 225 N -0.68 1.81 -0.54 2.92 1.01 0.19 0.10 120.40 125.22 3kr5 s VAL 225 Ca 0.13 -0.95 -0.22 0.00 0.00 0.00 0.00 61.98 60.94 3kr5 s VAL 225 Cb -0.12 -1.75 0.05 0.00 0.00 0.00 0.00 36.38 34.56 3kr5 s VAL 225 CO 0.02 0.35 0.83 -0.36 0.00 0.00 0.00 175.10 175.95 3kr5 s PHE 226 N 1.36 2.88 -0.63 5.22 0.40 0.32 -0.49 117.98 127.02 3kr5 s PHE 226 Ca 0.02 -0.20 0.14 0.00 -0.60 0.00 0.00 56.93 56.29 3kr5 s PHE 226 Cb -0.15 -3.89 0.47 0.00 0.51 0.00 0.00 43.02 39.96 3kr5 s PHE 226 CO -0.10 -1.25 1.39 0.39 0.70 0.00 0.00 175.22 176.36 3kr5 n GLU 227 N 7.02 3.07 -3.68 0.44 1.02 -0.40 -4.62 120.64 123.49 3kr5 n GLU 227 Ca -0.01 -2.54 -0.21 0.00 -0.02 0.00 0.00 57.16 54.38 3kr5 n GLU 227 Cb 0.47 -1.63 -0.03 0.00 -0.02 0.00 0.00 31.44 30.23 3kr5 n GLU 227 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 3kr5 s ILE 228 N -1.93 3.15 -0.33 -3.67 -4.36 -1.17 -4.57 121.20 108.32 3kr5 s ILE 228 Ca 0.36 -1.34 -0.14 0.00 -0.26 0.00 0.00 60.65 59.27 3kr5 s ILE 228 Cb 0.25 -3.10 -0.02 0.00 1.25 0.00 0.00 42.46 40.84 3kr5 s ILE 228 CO 0.14 -0.10 0.31 0.20 0.24 0.00 0.00 174.94 175.74 3kr5 s ASN 229 N -4.07 6.14 0.11 4.36 0.01 -1.26 -4.98 114.94 115.25 3kr5 s ASN 229 Ca 0.44 -0.19 0.10 0.00 -0.71 0.00 0.00 52.86 52.50 3kr5 s ASN 229 Cb -0.05 -2.17 -0.04 0.00 0.41 0.00 0.00 41.25 39.40 3kr5 s ASN 229 CO 0.27 -0.26 -0.24 0.68 -1.51 0.00 0.00 177.10 176.05 3kr5 s VAL 230 N 1.92 2.43 0.65 1.60 -7.23 -1.26 -4.60 120.40 113.91 3kr5 s VAL 230 Ca 0.10 -1.61 -0.17 0.00 -1.81 0.00 0.00 61.98 58.49 3kr5 s VAL 230 Cb -0.17 -2.07 -0.01 0.00 0.56 0.00 0.00 36.38 34.70 3kr5 s VAL 230 CO 0.11 0.15 1.21 -0.62 -0.31 0.00 0.00 175.10 175.64 3kr5 s ASP 231 N -1.93 4.79 0.34 4.85 3.68 -1.26 -4.84 116.67 122.30 3kr5 s ASP 231 Ca 0.15 2.38 0.04 0.00 2.13 0.00 0.00 52.55 57.25 3kr5 s ASP 231 Cb -0.10 -2.59 0.67 0.00 -1.45 0.00 0.00 42.92 39.45 3kr5 s ASP 231 CO 0.06 -1.86 1.95 0.11 0.13 0.00 0.00 175.17 175.56 3kr5 h LYS 232 N 0.40 0.82 -0.09 4.34 1.57 -1.98 0.31 116.57 121.93 3kr5 h LYS 232 Ca -0.49 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.09 3kr5 h LYS 232 Cb 1.30 -0.18 0.01 0.00 0.08 0.00 0.00 32.23 33.43 3kr5 h LYS 232 CO 0.53 0.54 -0.50 -0.91 -0.57 0.00 0.00 179.45 178.54 3kr5 h ASN 233 N 0.84 0.59 -0.74 0.86 2.35 -1.93 -2.18 115.58 115.38 3kr5 h ASN 233 Ca 0.33 -0.66 -0.06 0.00 -0.55 0.00 0.00 56.30 55.36 3kr5 h ASN 233 Cb 0.21 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 38.38 3kr5 h ASN 233 CO -0.11 1.16 0.22 0.25 -1.65 0.00 0.00 177.43 177.29 3kr5 h LEU 234 N 0.07 1.08 -1.54 1.61 5.85 -1.80 -0.58 115.31 120.01 3kr5 h LEU 234 Ca -0.04 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.47 3kr5 h LEU 234 Cb 1.15 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.88 3kr5 h LEU 234 CO 0.10 1.01 0.31 0.15 -0.34 0.00 0.00 178.44 179.68 3kr5 h PHE 235 N 1.10 0.58 0.19 1.25 3.57 -0.39 0.25 116.94 123.49 3kr5 h PHE 235 Ca 0.24 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.74 3kr5 h PHE 235 Cb 0.33 -0.20 0.00 0.00 2.79 0.00 0.00 35.95 38.87 3kr5 h PHE 235 CO 0.03 0.37 -0.09 -0.09 -2.23 0.00 0.00 178.31 176.29 3kr5 h ARG 236 N 0.63 -0.25 -0.81 1.11 2.43 -0.49 -3.08 114.38 113.93 3kr5 h ARG 236 Ca 0.18 0.02 0.19 0.00 -0.81 0.00 0.00 59.98 59.55 3kr5 h ARG 236 Cb -0.05 0.06 -0.14 0.00 -0.42 0.00 0.00 29.97 29.41 3kr5 h ARG 236 CO -0.04 0.08 -0.02 0.35 -1.51 0.00 0.00 179.97 178.83 3kr5 h PHE 237 N -0.59 -0.10 -0.48 2.20 3.57 -0.61 0.81 116.94 121.74 3kr5 h PHE 237 Ca -0.03 0.06 0.10 0.00 3.53 0.00 0.00 57.97 61.63 3kr5 h PHE 237 Cb 0.44 0.17 -0.09 0.00 2.79 0.00 0.00 35.95 39.26 3kr5 h PHE 237 CO 0.03 -0.29 -0.12 0.35 -2.23 0.00 0.00 178.31 176.05 3kr5 h PHE 238 N 0.08 -0.25 0.35 0.41 3.57 -0.47 0.90 116.94 121.52 3kr5 h PHE 238 Ca 0.44 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.97 3kr5 h PHE 238 Cb 0.79 0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.72 3kr5 h PHE 238 CO -0.47 -0.20 -0.17 -0.07 -2.23 0.00 0.00 178.31 175.17 3kr5 h LEU 239 N 0.00 -0.40 -1.12 0.59 4.07 -0.93 0.27 115.31 117.80 3kr5 h LEU 239 Ca 0.23 -0.13 0.14 0.00 0.08 0.00 0.00 57.88 58.20 3kr5 h LEU 239 Cb 0.35 0.10 -0.08 0.00 1.08 0.00 0.00 40.66 42.11 3kr5 h LEU 239 CO -0.49 -0.08 0.61 -0.33 -1.08 0.00 0.00 178.44 177.06 3kr5 h GLU 240 N -0.74 0.82 -0.11 1.13 5.08 -0.55 0.29 114.58 120.51 3kr5 h GLU 240 Ca -0.05 -0.05 -0.20 0.00 -1.00 0.00 0.00 59.36 58.06 3kr5 h GLU 240 Cb 0.50 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.58 3kr5 h GLU 240 CO 0.08 0.54 -0.71 1.15 -1.00 0.00 0.00 179.01 179.07 3kr5 h THR 241 N 0.85 1.31 0.70 1.13 2.02 -0.72 -1.33 112.91 116.87 3kr5 h THR 241 Ca 0.49 -1.96 -0.03 0.00 0.77 0.00 0.00 66.41 65.67 3kr5 h THR 241 Cb 0.63 2.14 0.00 0.00 -1.74 0.00 0.00 68.15 69.18 3kr5 h THR 241 CO -0.25 0.61 -0.37 0.25 0.37 0.00 0.00 175.52 176.12 3kr5 h LEU 242 N 0.35 -0.91 -0.55 2.58 5.85 0.25 0.30 115.31 123.18 3kr5 h LEU 242 Ca -0.06 0.04 0.11 0.00 0.84 0.00 0.00 57.88 58.81 3kr5 h LEU 242 Cb 1.36 0.25 -0.10 0.00 0.37 0.00 0.00 40.66 42.53 3kr5 h LEU 242 CO 0.15 -0.61 -0.14 -0.26 -0.34 0.00 0.00 178.44 177.24 3kr5 h PHE 243 N -0.99 -0.30 0.01 1.25 0.04 -0.69 0.61 116.94 116.88 3kr5 h PHE 243 Ca -0.10 0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.72 3kr5 h PHE 243 Cb 0.77 0.22 -0.00 0.00 2.20 0.00 0.00 35.95 39.14 3kr5 h PHE 243 CO 0.01 -0.24 -0.04 -0.92 -0.60 0.00 0.00 178.31 176.53 3kr5 h TYR 244 N -0.00 -0.10 -0.81 -0.55 3.20 -0.95 -0.40 116.97 117.35 3kr5 h TYR 244 Ca 0.26 0.00 0.15 0.00 3.14 0.00 0.00 58.73 62.28 3kr5 h TYR 244 Cb 0.40 0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.66 3kr5 h TYR 244 CO -0.46 -0.04 0.53 0.93 -1.64 0.00 0.00 178.16 177.48 3kr5 h GLU 245 N -0.05 0.51 -0.10 1.82 4.39 -0.28 -2.35 114.58 118.52 3kr5 h GLU 245 Ca -0.00 -0.03 -0.07 0.00 0.34 0.00 0.00 59.36 59.60 3kr5 h GLU 245 Cb 0.05 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 3kr5 h GLU 245 CO -0.02 0.34 -0.20 -0.92 -1.16 0.00 0.00 179.01 177.05 3kr5 h TYR 246 N 0.52 0.39 -3.18 4.33 3.20 -0.73 -3.45 116.97 118.06 3kr5 h TYR 246 Ca 0.40 -0.14 -0.57 0.00 3.14 0.00 0.00 58.73 61.56 3kr5 h TYR 246 Cb 0.80 -0.07 0.11 0.00 1.54 0.00 0.00 36.73 39.11 3kr5 h TYR 246 CO -0.00 0.81 0.50 -0.12 -1.64 0.00 0.00 178.16 177.70 3kr5 n MET 247 N -4.53 2.07 -3.82 1.82 1.56 -0.17 -4.99 117.12 109.06 3kr5 n MET 247 Ca -0.07 0.73 -0.30 0.00 -0.27 0.00 0.00 57.70 57.79 3kr5 n MET 247 Cb 0.41 -2.30 -0.15 0.00 2.15 0.00 0.00 33.22 33.32 3kr5 n MET 247 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 3kr5 s THR 248 N -0.95 1.14 -0.51 1.12 2.01 -1.26 -4.96 115.64 112.22 3kr5 s THR 248 Ca 0.57 -1.32 -0.26 0.00 0.31 0.00 0.00 61.69 60.99 3kr5 s THR 248 Cb -0.59 -1.71 -0.07 0.00 0.01 0.00 0.00 72.50 70.14 3kr5 s THR 248 CO 0.60 -0.45 2.40 -0.62 -0.69 0.00 0.00 174.62 175.86 3kr5 s ASP 249 N 1.52 4.41 -0.28 3.53 -1.08 -1.26 -4.82 116.67 118.70 3kr5 s ASP 249 Ca 0.04 1.00 0.09 0.00 -0.52 0.00 0.00 52.55 53.16 3kr5 s ASP 249 Cb -0.18 -2.50 0.49 0.00 -1.46 0.00 0.00 42.92 39.27 3kr5 s ASP 249 CO -0.16 -2.94 1.43 -0.62 0.52 0.00 0.00 175.17 173.40 3kr5 n GLU 250 N 9.01 1.81 0.16 4.34 1.02 -1.26 -4.73 120.64 130.99 3kr5 n GLU 250 Ca 0.37 -3.20 0.02 0.00 -0.02 0.00 0.00 57.16 54.33 3kr5 n GLU 250 Cb 0.54 -1.79 0.36 0.00 -0.02 0.00 0.00 31.44 30.54 3kr5 n GLU 250 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kr5 h ARG 251 N 1.01 0.08 -0.45 3.49 3.08 -1.97 -3.04 114.38 116.58 3kr5 h ARG 251 Ca 0.18 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.21 3kr5 h ARG 251 Cb 1.55 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.60 3kr5 h ARG 251 CO 0.33 0.39 0.00 1.19 -1.07 0.00 0.00 179.97 180.80 3kr5 n PHE 252 N -4.14 0.82 -3.23 3.04 3.01 -1.26 -4.83 117.46 110.86 3kr5 n PHE 252 Ca -0.02 -0.58 -0.39 0.00 1.01 0.00 0.00 57.45 57.47 3kr5 n PHE 252 Cb 0.37 -0.11 -0.07 0.00 -0.01 0.00 0.00 39.48 39.67 3kr5 n PHE 252 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3kr5 s LYS 253 N -1.46 4.17 0.00 -1.08 -0.14 -1.15 -5.26 119.74 114.83 3kr5 s LYS 253 Ca 0.36 0.42 0.00 0.00 -1.36 0.00 0.00 55.97 55.39 3kr5 s LYS 253 Cb 0.22 -3.58 0.00 0.00 -1.68 0.00 0.00 37.83 32.79 3kr5 s LYS 253 CO 0.19 -0.20 0.00 -1.13 -0.76 0.00 0.00 175.35 173.46 3kr5 n SER 254 N 4.96 0.00 0.00 2.83 3.41 -1.26 -5.07 113.62 118.48 3kr5 n SER 254 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 3kr5 n SER 254 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 3kr5 n SER 254 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 3kr5 n GLU 262 N -0.03 0.00 -3.95 4.33 4.07 -1.26 -5.23 120.64 118.56 3kr5 n GLU 262 Ca 0.00 0.00 -0.31 0.00 -0.06 0.00 0.00 57.16 56.79 3kr5 n GLU 262 Cb 0.00 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.33 3kr5 n GLU 262 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 3kr5 s TYR 263 N 0.00 3.44 0.30 4.31 2.02 -1.26 -4.78 117.35 121.38 3kr5 s TYR 263 Ca 0.00 0.21 -0.29 0.00 -0.37 0.00 0.00 57.07 56.61 3kr5 s TYR 263 Cb 0.00 -1.73 -0.13 0.00 -0.40 0.00 0.00 41.96 39.71 3kr5 s TYR 263 CO 0.00 0.57 1.36 0.44 -1.57 0.00 0.00 175.55 176.35 3kr5 n ILE 264 N 0.32 1.52 1.14 2.71 -5.35 -1.21 -4.83 119.36 113.66 3kr5 n ILE 264 Ca -0.06 -0.38 0.12 0.00 -0.27 0.00 0.00 62.75 62.17 3kr5 n ILE 264 Cb 0.51 -1.56 0.33 0.00 -1.74 0.00 0.00 39.64 37.18 3kr5 n ILE 264 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3kr5 n LYS 265 N 1.25 1.99 -3.83 6.28 5.02 -0.16 -4.65 118.16 124.07 3kr5 n LYS 265 Ca 0.08 -1.46 -0.13 0.00 -2.02 0.00 0.00 58.31 54.78 3kr5 n LYS 265 Cb 0.34 -1.46 -0.14 0.00 -0.02 0.00 0.00 35.03 33.75 3kr5 n LYS 265 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3kr5 s HIS 266 N -1.90 -0.06 -0.11 2.13 3.76 -1.09 -0.35 115.29 117.68 3kr5 s HIS 266 Ca 0.34 0.17 -0.02 0.00 -0.15 0.00 0.00 55.06 55.40 3kr5 s HIS 266 Cb 0.20 -0.02 0.04 0.00 1.11 0.00 0.00 32.58 33.92 3kr5 s HIS 266 CO 0.31 -0.05 0.03 -1.17 -0.85 0.00 0.00 174.74 173.01 3kr5 s LEU 267 N 0.23 0.64 -0.19 0.89 2.96 0.12 0.12 118.68 123.45 3kr5 s LEU 267 Ca -0.02 -0.31 -0.08 0.00 -0.22 0.00 0.00 54.13 53.50 3kr5 s LEU 267 Cb -0.03 -0.41 -0.04 0.00 0.50 0.00 0.00 46.19 46.21 3kr5 s LEU 267 CO -0.01 -0.25 0.08 -0.83 -1.32 0.00 0.00 176.35 174.03 3kr5 s GLY 268 N 1.99 1.93 -0.17 7.98 0.00 0.17 0.06 107.32 119.28 3kr5 s GLY 268 Ca 0.03 -0.77 -0.03 0.00 0.00 0.00 0.00 44.72 43.95 3kr5 s GLY 268 CO -0.06 0.13 -0.05 0.14 0.00 0.00 0.00 173.10 173.26 3kr5 s VAL 269 N 0.51 3.61 -0.27 1.40 1.01 0.22 0.27 120.40 127.14 3kr5 s VAL 269 Ca 0.04 -0.45 -0.07 0.00 0.00 0.00 0.00 61.98 61.51 3kr5 s VAL 269 Cb -0.12 -2.59 -0.01 0.00 0.00 0.00 0.00 36.38 33.65 3kr5 s VAL 269 CO 0.00 0.47 0.08 -0.31 0.00 0.00 0.00 175.10 175.34 3kr5 s TYR 270 N 0.72 3.10 0.04 5.22 1.51 0.28 0.48 117.35 128.70 3kr5 s TYR 270 Ca -0.03 -0.63 -0.02 0.00 -1.01 0.00 0.00 57.07 55.39 3kr5 s TYR 270 Cb -0.15 -2.25 -0.03 0.00 -0.11 0.00 0.00 41.96 39.43 3kr5 s TYR 270 CO 0.02 -0.44 0.00 -1.50 -1.11 0.00 0.00 175.55 172.52 3kr5 s ILE 271 N 1.57 0.18 0.06 2.71 2.07 -1.06 0.12 121.20 126.85 3kr5 s ILE 271 Ca 0.05 -1.44 -0.30 0.00 -1.41 0.00 0.00 60.65 57.55 3kr5 s ILE 271 Cb -0.16 -1.11 -0.05 0.00 0.13 0.00 0.00 42.46 41.27 3kr5 s ILE 271 CO 0.03 -0.80 1.04 0.20 -1.91 0.00 0.00 174.94 173.50 3kr5 s ASN 272 N -2.44 7.32 -0.72 4.50 -0.87 -1.26 -1.55 114.94 119.92 3kr5 s ASN 272 Ca -0.00 1.82 -0.01 0.00 -1.57 0.00 0.00 52.86 53.10 3kr5 s ASN 272 Cb 0.02 -2.58 0.00 0.00 -0.02 0.00 0.00 41.25 38.67 3kr5 s ASN 272 CO -0.07 -0.26 0.60 0.59 -2.57 0.00 0.00 177.10 175.40 3kr5 n ASN 273 N 3.46 -2.56 -0.32 -1.22 3.02 -1.26 -4.91 115.26 111.47 3kr5 n ASN 273 Ca 0.05 -0.35 0.16 0.00 -0.03 0.00 0.00 54.58 54.42 3kr5 n ASN 273 Cb 0.49 -3.18 0.31 0.00 -0.61 0.00 0.00 39.78 36.80 3kr5 n ASN 273 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kr5 n ALA 274 N -3.06 0.55 0.06 5.41 0.00 -1.24 -1.61 120.51 120.62 3kr5 n ALA 274 Ca -0.13 1.01 -0.01 0.00 0.00 0.00 0.00 53.44 54.30 3kr5 n ALA 274 Cb 0.59 -0.77 0.26 0.00 0.00 0.00 0.00 19.45 19.52 3kr5 n ALA 274 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3kr5 h ASP 275 N 0.00 0.35 0.00 0.00 3.32 -1.91 -0.93 116.42 117.25 3kr5 h ASP 275 Ca 0.60 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.54 3kr5 h ASP 275 Cb 1.31 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.76 3kr5 h ASP 275 CO -0.87 0.61 0.00 0.35 -1.72 0.00 0.00 179.24 177.61 3kr5 n THR 276 N -4.14 0.00 0.00 0.35 -2.24 -0.64 -3.07 114.28 104.54 3kr5 n THR 276 Ca -0.01 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 3kr5 n THR 276 Cb 0.38 -0.25 0.00 0.00 -2.10 0.00 0.00 70.33 68.36 3kr5 n THR 276 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3kr5 n TYR 277 N -0.12 0.00 -0.12 4.78 4.01 -0.37 -4.86 117.16 120.49 3kr5 n TYR 277 Ca 0.00 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.80 3kr5 n TYR 277 Cb 0.07 0.00 0.38 0.00 -0.31 0.00 0.00 39.34 39.48 3kr5 n TYR 277 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3kr5 h LYS 278 N 0.00 0.66 0.00 -0.72 1.57 -1.44 -0.78 116.57 115.86 3kr5 h LYS 278 Ca 0.00 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 3kr5 h LYS 278 Cb 0.00 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.16 3kr5 h LYS 278 CO 0.00 0.44 -0.02 1.05 -0.57 0.00 0.00 179.45 180.34 3kr5 h GLU 279 N 0.68 0.00 0.00 3.15 4.11 -1.89 -2.50 114.58 118.13 3kr5 h GLU 279 Ca 0.25 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.63 3kr5 h GLU 279 Cb 0.14 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3kr5 h GLU 279 CO -0.07 0.02 -0.26 0.93 0.07 0.00 0.00 179.01 179.70 3kr5 h GLU 280 N 0.00 0.00 0.46 1.06 4.39 -1.49 -3.32 114.58 115.68 3kr5 h GLU 280 Ca -0.00 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.69 3kr5 h GLU 280 Cb 0.39 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.02 3kr5 h GLU 280 CO 0.00 0.26 -0.33 0.28 -1.16 0.00 0.00 179.01 178.06 3kr5 h VAL 281 N 0.00 0.31 0.00 3.13 2.07 -1.52 0.20 116.25 120.44 3kr5 h VAL 281 Ca -0.00 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.43 3kr5 h VAL 281 Cb 1.00 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 3kr5 h VAL 281 CO 0.03 0.00 -0.44 -0.33 0.02 0.00 0.00 177.57 176.86 3kr5 h GLU 282 N -0.78 0.00 -0.41 1.57 4.39 -1.76 -1.48 114.58 116.10 3kr5 h GLU 282 Ca -0.05 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 3kr5 h GLU 282 Cb 0.66 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.29 3kr5 h GLU 282 CO 0.01 0.44 0.17 -0.22 -1.16 0.00 0.00 179.01 178.25 3kr5 h LYS 283 N 0.00 0.62 -0.77 2.33 3.64 -1.61 -1.33 116.57 119.45 3kr5 h LYS 283 Ca -0.00 -0.11 -0.01 0.00 -1.27 0.00 0.00 60.65 59.25 3kr5 h LYS 283 Cb 1.12 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 32.81 3kr5 h LYS 283 CO 0.06 0.58 0.44 0.00 -2.27 0.00 0.00 179.45 178.26 3kr5 h ALA 284 N 1.01 1.33 -0.44 5.00 0.00 0.07 0.17 119.26 126.40 3kr5 h ALA 284 Ca 0.14 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.83 3kr5 h ALA 284 Cb 0.19 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3kr5 h ALA 284 CO -0.01 0.56 -0.19 -0.09 0.00 0.00 0.00 179.25 179.52 3kr5 h ARG 285 N 1.07 0.91 0.01 0.00 2.43 -1.06 0.51 114.38 118.26 3kr5 h ARG 285 Ca 0.27 -0.39 -0.00 0.00 -0.81 0.00 0.00 59.98 59.06 3kr5 h ARG 285 Cb -0.01 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.51 3kr5 h ARG 285 CO -0.05 1.04 -0.01 0.28 -1.51 0.00 0.00 179.97 179.72 3kr5 h VAL 286 N 0.74 1.13 -0.69 0.20 2.07 -0.49 -1.77 116.25 117.44 3kr5 h VAL 286 Ca 0.10 -0.44 0.05 0.00 0.82 0.00 0.00 66.70 67.23 3kr5 h VAL 286 Cb 0.75 1.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.90 3kr5 h VAL 286 CO 0.06 0.11 0.41 1.88 0.02 0.00 0.00 177.57 180.05 3kr5 h TYR 287 N -0.21 0.76 -0.25 1.57 -1.99 -0.45 0.11 116.97 116.51 3kr5 h TYR 287 Ca -0.00 0.02 0.06 0.00 2.00 0.00 0.00 58.73 60.82 3kr5 h TYR 287 Cb 0.20 -0.24 -0.07 0.00 2.00 0.00 0.00 36.73 38.61 3kr5 h TYR 287 CO -0.01 0.40 -0.26 -0.92 -0.00 0.00 0.00 178.16 177.36 3kr5 h TYR 288 N 0.78 -0.71 -0.13 4.88 3.20 0.18 -1.01 116.97 124.16 3kr5 h TYR 288 Ca 0.30 0.04 -0.16 0.00 3.14 0.00 0.00 58.73 62.04 3kr5 h TYR 288 Cb 0.11 0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 3kr5 h TYR 288 CO -0.06 -0.34 -0.60 0.35 -1.64 0.00 0.00 178.16 175.87 3kr5 h PHE 289 N -0.27 0.57 -0.26 -3.82 3.57 -0.24 0.52 116.94 117.02 3kr5 h PHE 289 Ca 0.14 -0.22 0.06 0.00 3.53 0.00 0.00 57.97 61.48 3kr5 h PHE 289 Cb 0.48 -0.10 -0.06 0.00 2.79 0.00 0.00 35.95 39.06 3kr5 h PHE 289 CO -0.42 0.94 -0.11 0.78 -2.23 0.00 0.00 178.31 177.27 3kr5 h GLY 290 N 1.19 0.11 0.90 2.40 0.00 -0.63 0.64 103.07 107.68 3kr5 h GLY 290 Ca -0.00 0.14 -0.02 0.00 0.00 0.00 0.00 47.33 47.44 3kr5 h GLY 290 CO 0.11 -0.13 0.09 -0.84 0.00 0.00 0.00 176.54 175.76 3kr5 h THR 291 N -0.07 1.20 -0.21 4.70 2.02 -0.62 -1.21 112.91 118.72 3kr5 h THR 291 Ca 0.13 -0.65 -0.11 0.00 0.77 0.00 0.00 66.41 66.56 3kr5 h THR 291 Cb 0.27 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 3kr5 h THR 291 CO -0.31 0.21 -0.35 0.22 0.37 0.00 0.00 175.52 175.67 3kr5 h TYR 292 N 0.29 0.52 -0.54 3.16 3.20 0.28 -0.00 116.97 123.88 3kr5 h TYR 292 Ca 0.09 -0.13 -0.05 0.00 3.14 0.00 0.00 58.73 61.77 3kr5 h TYR 292 Cb 0.25 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.38 3kr5 h TYR 292 CO 0.01 0.74 0.13 -0.92 -1.64 0.00 0.00 178.16 176.47 3kr5 h TYR 293 N 0.38 0.92 0.13 -3.82 3.20 0.50 0.18 116.97 118.46 3kr5 h TYR 293 Ca 0.04 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 61.79 3kr5 h TYR 293 Cb 0.79 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.81 3kr5 h TYR 293 CO 0.02 0.80 -0.06 0.00 -1.64 0.00 0.00 178.16 177.29 3kr5 h ALA 294 N 1.01 -0.18 -0.71 1.82 0.00 -0.78 -2.22 119.26 118.20 3kr5 h ALA 294 Ca 0.17 -0.05 0.16 0.00 0.00 0.00 0.00 54.91 55.18 3kr5 h ALA 294 Cb 0.35 0.07 -0.12 0.00 0.00 0.00 0.00 17.79 18.09 3kr5 h ALA 294 CO 0.00 -0.58 0.07 1.03 0.00 0.00 0.00 179.25 179.77 3kr5 h SER 295 N -0.21 -0.20 -0.51 0.00 0.87 -0.75 0.84 113.55 113.59 3kr5 h SER 295 Ca -0.02 0.17 0.01 0.00 -1.23 0.00 0.00 61.79 60.72 3kr5 h SER 295 Cb 0.17 0.27 -0.03 0.00 -0.44 0.00 0.00 62.40 62.37 3kr5 h SER 295 CO 0.03 -0.12 0.32 1.56 -0.53 0.00 0.00 176.83 178.10 3kr5 h GLN 296 N 0.16 0.64 0.26 2.24 4.20 -0.30 0.17 115.11 122.49 3kr5 h GLN 296 Ca 0.39 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 59.05 3kr5 h GLN 296 Cb 0.68 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.32 3kr5 h GLN 296 CO -0.58 0.42 -0.13 -0.07 -0.67 0.00 0.00 178.83 177.81 3kr5 h LEU 297 N 0.66 -0.30 -0.17 1.46 3.38 -0.33 -0.92 115.31 119.09 3kr5 h LEU 297 Ca 0.20 -0.07 0.05 0.00 0.09 0.00 0.00 57.88 58.15 3kr5 h LEU 297 Cb -0.04 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 3kr5 h LEU 297 CO -0.06 -0.12 -0.15 0.40 0.09 0.00 0.00 178.44 178.60 3kr5 h ILE 298 N -0.46 0.59 -0.42 1.22 2.04 -0.77 -2.47 117.51 117.24 3kr5 h ILE 298 Ca -0.04 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.78 3kr5 h ILE 298 Cb 0.35 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.00 3kr5 h ILE 298 CO 0.06 0.00 0.08 0.00 0.00 0.00 0.00 178.15 178.29 3kr5 h ALA 299 N 0.93 1.34 -1.99 1.87 0.00 -0.54 -3.41 119.26 117.46 3kr5 h ALA 299 Ca 0.11 -0.18 -0.63 0.00 0.00 0.00 0.00 54.91 54.20 3kr5 h ALA 299 Cb 0.32 -0.18 0.03 0.00 0.00 0.00 0.00 17.79 17.97 3kr5 h ALA 299 CO -0.27 0.46 0.92 0.00 0.00 0.00 0.00 179.25 180.37 3kr5 n ALA 300 N -2.47 0.68 -1.15 0.00 0.00 -0.36 -4.92 120.51 112.29 3kr5 n ALA 300 Ca 0.03 0.37 -0.31 0.00 0.00 0.00 0.00 53.44 53.52 3kr5 n ALA 300 Cb 0.22 -2.38 0.11 0.00 0.00 0.00 0.00 19.45 17.40 3kr5 n ALA 300 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3kr5 s PRO 301 N 2.77 1.89 0.54 0.00 0.02 -1.26 -4.50 135.00 134.46 3kr5 s PRO 301 Ca 0.89 1.18 0.35 0.00 0.02 0.00 0.00 61.00 63.44 3kr5 s PRO 301 Cb -0.77 -1.85 1.59 0.00 0.02 0.00 0.00 34.50 33.49 3kr5 s PRO 301 CO 0.49 -1.91 2.04 0.77 -0.33 0.00 0.00 177.00 178.07 3kr5 h SER 302 N -1.32 0.00 0.84 2.53 0.02 -1.80 0.44 113.55 114.25 3kr5 h SER 302 Ca -0.44 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.39 3kr5 h SER 302 Cb 1.24 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.77 3kr5 h SER 302 CO 0.50 0.00 -0.57 -0.55 -1.14 0.00 0.00 176.83 175.07 3kr5 h ASN 303 N 0.00 0.00 0.00 3.07 -1.07 -1.93 -3.30 115.58 112.35 3kr5 h ASN 303 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 56.30 56.24 3kr5 h ASN 303 Cb 0.35 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.58 3kr5 h ASN 303 CO 0.00 0.57 -0.77 1.88 0.07 0.00 0.00 177.43 179.18 3kr5 h TYR 304 N 0.00 0.00 -3.28 4.14 0.05 -1.15 -3.40 116.97 113.33 3kr5 h TYR 304 Ca -0.01 0.00 -0.76 0.00 0.05 0.00 0.00 58.73 58.02 3kr5 h TYR 304 Cb 1.14 0.00 -0.24 0.00 1.01 0.00 0.00 36.73 38.64 3kr5 h TYR 304 CO 0.00 1.08 -0.02 0.00 -1.05 0.00 0.00 178.16 178.18 3kr5 s ASN 306 N 3.12 3.84 0.28 0.00 2.20 -1.24 -4.25 114.94 118.89 3kr5 s ASN 306 Ca 0.11 -1.49 0.01 0.00 -0.94 0.00 0.00 52.86 50.55 3kr5 s ASN 306 Cb -0.21 0.01 0.62 0.00 -2.00 0.00 0.00 41.25 39.66 3kr5 s ASN 306 CO -0.01 -0.63 1.75 -0.65 -2.94 0.00 0.00 177.10 174.62 3kr5 h PRO 307 N 1.63 0.60 -0.01 3.55 0.11 -1.87 0.46 132.00 136.47 3kr5 h PRO 307 Ca -0.43 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 3kr5 h PRO 307 Cb 1.27 -0.14 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 3kr5 h PRO 307 CO 0.77 0.40 -0.01 0.28 -0.21 0.00 0.00 178.00 179.23 3kr5 h VAL 308 N 0.62 1.37 -0.31 3.15 2.07 -1.94 -1.41 116.25 119.80 3kr5 h VAL 308 Ca 0.51 -1.10 -0.10 0.00 0.82 0.00 0.00 66.70 66.83 3kr5 h VAL 308 Cb 0.78 2.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.63 3kr5 h VAL 308 CO -0.39 0.29 -0.21 0.77 0.02 0.00 0.00 177.57 178.05 3kr5 h SER 309 N -0.44 0.58 0.06 0.57 4.64 -1.74 -0.11 113.55 117.11 3kr5 h SER 309 Ca 0.00 -0.19 -0.00 0.00 -0.47 0.00 0.00 61.79 61.13 3kr5 h SER 309 Cb 0.47 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 3kr5 h SER 309 CO 0.00 0.79 -0.03 0.25 -0.87 0.00 0.00 176.83 176.97 3kr5 h LEU 310 N 0.52 -0.07 -1.18 5.97 6.46 -0.09 -0.37 115.31 126.54 3kr5 h LEU 310 Ca 0.08 -0.28 -0.00 0.00 -0.12 0.00 0.00 57.88 57.56 3kr5 h LEU 310 Cb 0.64 0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.55 3kr5 h LEU 310 CO 0.05 0.24 0.48 0.77 -0.62 0.00 0.00 178.44 179.36 3kr5 h SER 311 N -0.40 0.91 -0.91 1.25 4.64 -1.17 -0.06 113.55 117.82 3kr5 h SER 311 Ca -0.01 -0.04 0.06 0.00 -0.47 0.00 0.00 61.79 61.33 3kr5 h SER 311 Cb 0.35 -0.23 -0.06 0.00 -0.31 0.00 0.00 62.40 62.15 3kr5 h SER 311 CO 0.01 0.69 0.57 0.78 -0.87 0.00 0.00 176.83 178.02 3kr5 h ASN 312 N 1.06 0.91 -0.28 4.97 2.35 -0.76 -0.75 115.58 123.08 3kr5 h ASN 312 Ca 0.28 0.01 -0.11 0.00 -0.55 0.00 0.00 56.30 55.93 3kr5 h ASN 312 Cb -0.07 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.11 3kr5 h ASN 312 CO -0.06 0.59 -0.22 0.00 -1.65 0.00 0.00 177.43 176.09 3kr5 h ALA 313 N 1.42 0.89 -0.22 -0.83 0.00 0.70 -0.98 119.26 120.24 3kr5 h ALA 313 Ca 0.39 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3kr5 h ALA 313 Cb 0.15 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3kr5 h ALA 313 CO -0.17 0.63 0.08 0.00 0.00 0.00 0.00 179.25 179.79 3kr5 h ALA 314 N 1.09 0.29 -0.34 0.00 0.00 -0.49 0.12 119.26 119.93 3kr5 h ALA 314 Ca 0.09 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.95 3kr5 h ALA 314 Cb 0.73 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 3kr5 h ALA 314 CO 0.06 -0.11 -0.05 0.28 0.00 0.00 0.00 179.25 179.42 3kr5 h VAL 315 N 0.20 0.70 -0.56 0.00 2.07 -0.83 0.34 116.25 118.17 3kr5 h VAL 315 Ca 0.07 -0.01 0.04 0.00 0.82 0.00 0.00 66.70 67.62 3kr5 h VAL 315 Cb 0.19 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 3kr5 h VAL 315 CO -0.01 0.01 0.30 -0.08 0.02 0.00 0.00 177.57 177.82 3kr5 h GLU 316 N 0.04 0.57 -0.66 1.57 4.81 -0.81 0.45 114.58 120.55 3kr5 h GLU 316 Ca 0.17 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.35 3kr5 h GLU 316 Cb 0.24 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 3kr5 h GLU 316 CO -0.32 0.38 0.35 1.25 -0.73 0.00 0.00 179.01 179.94 3kr5 h LEU 317 N 0.59 0.83 -0.84 1.64 5.85 0.50 -1.22 115.31 122.66 3kr5 h LEU 317 Ca 0.24 -0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.86 3kr5 h LEU 317 Cb 0.11 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 3kr5 h LEU 317 CO -0.15 0.70 0.53 0.00 -0.34 0.00 0.00 178.44 179.18 3kr5 h ALA 318 N 1.17 1.07 -0.51 1.25 0.00 0.27 -1.18 119.26 121.33 3kr5 h ALA 318 Ca 0.23 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 3kr5 h ALA 318 Cb 0.06 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3kr5 h ALA 318 CO -0.04 0.51 -0.08 1.96 0.00 0.00 0.00 179.25 181.61 3kr5 h GLN 319 N 1.15 0.96 0.00 0.00 4.20 -0.50 0.23 115.11 121.14 3kr5 h GLN 319 Ca 0.30 -0.34 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 3kr5 h GLN 319 Cb -0.08 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 27.63 3kr5 h GLN 319 CO -0.06 1.01 -0.17 0.87 -0.67 0.00 0.00 178.83 179.81 3kr5 h LYS 320 N 0.82 0.00 -0.15 1.46 1.57 -0.86 -3.08 116.57 116.33 3kr5 h LYS 320 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 3kr5 h LYS 320 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 3kr5 h LYS 320 CO 0.04 0.17 0.00 1.28 -0.57 0.00 0.00 179.45 180.37 3kr5 n LEU 321 N -3.59 2.74 -3.91 2.94 4.77 -0.48 -4.97 117.00 114.51 3kr5 n LEU 321 Ca -0.01 -1.24 -0.30 0.00 -0.03 0.00 0.00 56.01 54.43 3kr5 n LEU 321 Cb 0.31 -0.09 0.03 0.00 -2.33 0.00 0.00 43.42 41.33 3kr5 n LEU 321 CO 0.32 0.54 0.09 0.59 -1.33 0.00 0.00 177.39 177.60 3kr5 n ASN 322 N 1.04 -4.49 -4.87 -1.43 3.02 0.07 -4.91 115.26 103.69 3kr5 n ASN 322 Ca 0.12 -0.79 -0.32 0.00 -0.03 0.00 0.00 54.58 53.56 3kr5 n ASN 322 Cb 0.47 -3.86 -0.06 0.00 -0.61 0.00 0.00 39.78 35.72 3kr5 n ASN 322 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kr5 s LEU 323 N -7.24 4.16 0.33 3.41 1.43 0.58 -5.02 118.68 116.32 3kr5 s LEU 323 Ca 0.61 1.02 -0.28 0.00 -1.03 0.00 0.00 54.13 54.46 3kr5 s LEU 323 Cb -0.31 -3.74 -0.09 0.00 0.03 0.00 0.00 46.19 42.07 3kr5 s LEU 323 CO 0.83 -0.09 1.14 -1.61 0.23 0.00 0.00 176.35 176.85 3kr5 s GLU 324 N -2.78 4.40 0.01 1.70 2.02 -0.65 -4.57 118.70 118.83 3kr5 s GLU 324 Ca 0.48 1.83 -0.06 0.00 0.02 0.00 0.00 54.97 57.24 3kr5 s GLU 324 Cb -0.11 -2.97 -0.00 0.00 0.10 0.00 0.00 34.13 31.15 3kr5 s GLU 324 CO 0.20 -0.01 0.10 1.52 0.02 0.00 0.00 175.26 177.09 3kr5 s TYR 325 N -1.28 0.10 -0.09 1.61 -0.85 -1.26 0.08 117.35 115.65 3kr5 s TYR 325 Ca 0.50 -0.24 -0.04 0.00 -0.52 0.00 0.00 57.07 56.77 3kr5 s TYR 325 Cb -0.31 -0.08 0.04 0.00 0.38 0.00 0.00 41.96 41.99 3kr5 s TYR 325 CO 0.40 -0.27 0.21 0.21 -1.52 0.00 0.00 175.55 174.58 3kr5 s LYS 326 N -1.47 0.16 -0.26 -3.49 2.20 0.53 -4.99 119.74 112.42 3kr5 s LYS 326 Ca -0.15 0.48 -0.05 0.00 -0.36 0.00 0.00 55.97 55.89 3kr5 s LYS 326 Cb -0.08 -0.14 -0.00 0.00 -1.51 0.00 0.00 37.83 36.10 3kr5 s LYS 326 CO 0.01 -0.17 0.03 0.42 -0.36 0.00 0.00 175.35 175.28 3kr5 s ILE 327 N 1.26 3.75 -0.22 5.43 -1.09 -1.26 -0.90 121.20 128.17 3kr5 s ILE 327 Ca -0.09 -0.55 -0.25 0.00 -2.23 0.00 0.00 60.65 57.53 3kr5 s ILE 327 Cb -0.11 -2.83 -0.01 0.00 -1.58 0.00 0.00 42.46 37.94 3kr5 s ILE 327 CO -0.08 0.25 0.86 -0.76 -1.23 0.00 0.00 174.94 173.98 3kr5 s LEU 328 N 1.50 4.11 0.68 2.97 1.02 0.19 -4.88 118.68 124.27 3kr5 s LEU 328 Ca 0.04 1.11 0.01 0.00 0.02 0.00 0.00 54.13 55.32 3kr5 s LEU 328 Cb -0.16 -3.25 0.11 0.00 0.02 0.00 0.00 46.19 42.92 3kr5 s LEU 328 CO 0.00 -0.51 0.94 -0.83 0.02 0.00 0.00 176.35 175.97 3kr5 s GLY 329 N 1.28 1.76 0.19 -3.19 0.00 -1.26 -0.50 107.32 105.60 3kr5 s GLY 329 Ca 0.37 -1.77 -0.12 0.00 0.00 0.00 0.00 44.72 43.20 3kr5 s GLY 329 CO 0.08 -1.24 1.72 -2.08 0.00 0.00 0.00 173.10 171.58 3kr5 h VAL 330 N -0.35 0.73 -0.31 1.40 2.07 -1.96 0.10 116.25 117.93 3kr5 h VAL 330 Ca -0.36 -0.10 0.06 0.00 0.82 0.00 0.00 66.70 67.13 3kr5 h VAL 330 Cb 1.27 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 3kr5 h VAL 330 CO 0.41 0.05 -0.04 0.11 0.02 0.00 0.00 177.57 178.12 3kr5 h LYS 331 N 0.28 0.04 -0.68 1.57 6.56 -1.95 0.26 116.57 122.65 3kr5 h LYS 331 Ca 0.26 -0.00 -0.08 0.00 -1.06 0.00 0.00 60.65 59.77 3kr5 h LYS 331 Cb 0.34 -0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 31.97 3kr5 h LYS 331 CO -0.32 0.03 0.11 0.93 -2.06 0.00 0.00 179.45 178.13 3kr5 h GLU 332 N 0.04 1.12 -0.70 3.15 5.08 -1.71 -1.73 114.58 119.83 3kr5 h GLU 332 Ca 0.15 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 3kr5 h GLU 332 Cb 0.22 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 3kr5 h GLU 332 CO -0.29 1.03 0.45 -0.07 -1.00 0.00 0.00 179.01 179.12 3kr5 h LEU 333 N 1.05 0.82 -0.11 1.33 3.38 -0.22 0.85 115.31 122.40 3kr5 h LEU 333 Ca 0.20 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 3kr5 h LEU 333 Cb 0.45 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 3kr5 h LEU 333 CO 0.01 0.61 0.06 -0.33 0.09 0.00 0.00 178.44 178.88 3kr5 h GLU 334 N 0.95 0.16 -0.89 1.13 5.08 -0.36 -0.97 114.58 119.69 3kr5 h GLU 334 Ca 0.25 -0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.69 3kr5 h GLU 334 Cb -0.08 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.08 3kr5 h GLU 334 CO -0.05 0.22 0.57 0.93 -1.00 0.00 0.00 179.01 179.68 3kr5 h GLU 335 N 0.07 0.83 0.00 2.33 5.08 -0.98 -0.04 114.58 121.86 3kr5 h GLU 335 Ca 0.04 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3kr5 h GLU 335 Cb 0.11 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.17 3kr5 h GLU 335 CO -0.01 0.55 0.00 1.28 -1.00 0.00 0.00 179.01 179.83 3kr5 n LEU 336 N -4.53 0.00 -3.01 1.33 4.77 0.26 -4.92 117.00 110.90 3kr5 n LEU 336 Ca 0.15 0.29 -0.19 0.00 -0.03 0.00 0.00 56.01 56.24 3kr5 n LEU 336 Cb 0.33 -0.29 0.07 0.00 -2.33 0.00 0.00 43.42 41.19 3kr5 n LEU 336 CO 0.31 -0.03 0.20 0.29 -1.33 0.00 0.00 177.39 176.82 3kr5 n LYS 337 N -1.29 -6.43 -2.13 3.23 5.02 -0.03 -4.69 118.16 111.84 3kr5 n LYS 337 Ca 0.13 0.68 -0.41 0.00 -2.02 0.00 0.00 58.31 56.68 3kr5 n LYS 337 Cb 0.22 -5.25 -0.00 0.00 -0.02 0.00 0.00 35.03 29.98 3kr5 n LYS 337 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3kr5 n MET 338 N -4.13 3.88 0.09 1.97 2.81 -0.79 -1.90 117.12 119.05 3kr5 n MET 338 Ca -0.01 -3.37 -0.01 0.00 -1.81 0.00 0.00 57.70 52.50 3kr5 n MET 338 Cb 0.55 -2.85 0.25 0.00 -0.71 0.00 0.00 33.22 30.46 3kr5 n MET 338 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3kr5 h GLY 339 N 7.24 0.30 0.70 3.03 0.00 -1.77 0.27 103.07 112.83 3kr5 h GLY 339 Ca 0.53 -0.26 -0.00 0.00 0.00 0.00 0.00 47.33 47.60 3kr5 h GLY 339 CO 1.61 0.23 -0.03 0.00 0.00 0.00 0.00 176.54 178.35 3kr5 h ALA 340 N 1.41 -0.08 -0.21 3.60 0.00 -1.84 0.42 119.26 122.55 3kr5 h ALA 340 Ca 0.03 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 54.79 3kr5 h ALA 340 Cb 0.72 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3kr5 h ALA 340 CO 0.05 -0.40 0.12 -0.92 0.00 0.00 0.00 179.25 178.11 3kr5 h TYR 341 N -0.39 0.22 0.00 0.00 3.20 -1.62 -2.74 116.97 115.65 3kr5 h TYR 341 Ca -0.01 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.79 3kr5 h TYR 341 Cb 0.34 -0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 3kr5 h TYR 341 CO 0.03 0.13 -0.36 -0.07 -1.64 0.00 0.00 178.16 176.25 3kr5 h LEU 342 N 0.25 0.00 -0.28 2.82 3.38 -0.90 -2.87 115.31 117.71 3kr5 h LEU 342 Ca 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3kr5 h LEU 342 Cb -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3kr5 h LEU 342 CO -0.04 0.36 0.14 0.28 0.09 0.00 0.00 178.44 179.27 3kr5 h SER 343 N 0.00 0.35 -0.83 -0.43 0.02 -0.60 -2.67 113.55 109.40 3kr5 h SER 343 Ca -0.00 -0.11 0.13 0.00 -0.84 0.00 0.00 61.79 60.97 3kr5 h SER 343 Cb 0.69 -0.09 -0.09 0.00 0.14 0.00 0.00 62.40 63.05 3kr5 h SER 343 CO 0.05 0.36 0.43 0.58 -1.14 0.00 0.00 176.83 177.11 3kr5 h VAL 344 N 0.32 0.77 -0.00 2.27 2.07 -1.37 -2.33 116.25 117.98 3kr5 h VAL 344 Ca 0.10 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.39 3kr5 h VAL 344 Cb 0.09 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 29.93 3kr5 h VAL 344 CO -0.01 0.12 -0.19 0.61 0.02 0.00 0.00 177.57 178.11 3kr5 n GLY 345 N -1.32 -1.36 0.35 2.17 0.00 -1.11 -4.20 105.19 99.72 3kr5 n GLY 345 Ca 0.16 -0.21 0.10 0.00 0.00 0.00 0.00 46.02 46.07 3kr5 n GLY 345 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kr5 h LYS 346 N 0.05 0.81 0.00 1.61 1.57 -1.07 0.18 116.57 119.72 3kr5 h LYS 346 Ca 0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3kr5 h LYS 346 Cb 0.48 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3kr5 h LYS 346 CO 0.00 0.54 0.00 0.41 -0.57 0.00 0.00 179.45 179.83 3kr5 n GLY 347 N -1.33 -1.10 3.86 3.86 0.00 -1.23 -4.50 105.19 104.74 3kr5 n GLY 347 Ca 0.21 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.76 3kr5 n GLY 347 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kr5 s SER 348 N -2.42 6.73 0.20 1.61 0.15 0.64 -4.54 113.70 116.07 3kr5 s SER 348 Ca 0.30 1.10 0.25 0.00 0.70 0.00 0.00 55.95 58.30 3kr5 s SER 348 Cb 0.18 -2.30 0.90 0.00 -1.71 0.00 0.00 66.02 63.10 3kr5 s SER 348 CO 0.39 -0.09 1.75 1.15 1.20 0.00 0.00 173.24 177.64 3kr5 n MET 349 N -0.04 0.20 -3.54 5.44 0.00 -1.26 -4.66 117.12 113.26 3kr5 n MET 349 Ca 0.01 0.29 -0.37 0.00 0.00 0.00 0.00 57.70 57.62 3kr5 n MET 349 Cb 0.52 -1.80 -0.09 0.00 0.00 0.00 0.00 33.22 31.86 3kr5 n MET 349 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 3kr5 s TYR 350 N -3.18 3.34 0.47 3.17 1.51 -1.26 -4.90 117.35 116.51 3kr5 s TYR 350 Ca 0.08 0.40 -0.24 0.00 -1.01 0.00 0.00 57.07 56.30 3kr5 s TYR 350 Cb 0.11 -2.39 -0.07 0.00 -0.11 0.00 0.00 41.96 39.51 3kr5 s TYR 350 CO 0.49 0.03 1.31 -2.14 -1.11 0.00 0.00 175.55 174.13 3kr5 s PRO 351 N 1.19 3.61 0.39 -1.71 0.02 -1.26 -4.77 135.00 132.46 3kr5 s PRO 351 Ca 0.13 2.13 -0.27 0.00 0.02 0.00 0.00 61.00 63.01 3kr5 s PRO 351 Cb -0.14 -2.50 -0.11 0.00 0.02 0.00 0.00 34.50 31.77 3kr5 s PRO 351 CO 0.06 -0.78 1.27 0.09 -0.33 0.00 0.00 177.00 177.31 3kr5 n ASN 352 N -0.44 2.60 -3.78 2.53 4.13 -1.26 -4.49 115.26 114.56 3kr5 n ASN 352 Ca 0.07 1.15 -0.23 0.00 1.68 0.00 0.00 54.58 57.25 3kr5 n ASN 352 Cb 0.45 -1.49 -0.17 0.00 -1.54 0.00 0.00 39.78 37.02 3kr5 n ASN 352 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3kr5 s LYS 353 N -2.06 0.62 -0.30 3.52 -0.14 -0.53 -4.01 119.74 116.84 3kr5 s LYS 353 Ca 0.59 0.09 -0.14 0.00 -1.36 0.00 0.00 55.97 55.15 3kr5 s LYS 353 Cb -0.53 -0.96 -0.03 0.00 -1.68 0.00 0.00 37.83 34.63 3kr5 s LYS 353 CO 0.60 -0.29 0.30 0.12 -0.76 0.00 0.00 175.35 175.32 3kr5 s PHE 354 N 1.89 3.23 -0.14 3.18 2.19 0.35 -1.05 117.98 127.63 3kr5 s PHE 354 Ca 0.04 0.13 -0.19 0.00 0.33 0.00 0.00 56.93 57.23 3kr5 s PHE 354 Cb -0.12 -2.53 -0.04 0.00 -1.31 0.00 0.00 43.02 39.02 3kr5 s PHE 354 CO -0.05 -0.28 0.54 0.42 1.83 0.00 0.00 175.22 177.68 3kr5 s ILE 355 N 1.92 5.13 -0.34 3.12 1.01 0.19 -0.63 121.20 131.60 3kr5 s ILE 355 Ca 0.11 1.05 -0.00 0.00 0.00 0.00 0.00 60.65 61.81 3kr5 s ILE 355 Cb -0.16 -3.87 0.11 0.00 0.01 0.00 0.00 42.46 38.55 3kr5 s ILE 355 CO 0.11 0.26 0.14 -2.28 0.00 0.00 0.00 174.94 173.17 3kr5 s HIS 356 N 1.03 1.63 -0.03 3.97 2.46 -0.08 -1.28 115.29 122.99 3kr5 s HIS 356 Ca 0.28 -1.86 -0.04 0.00 0.47 0.00 0.00 55.06 53.91 3kr5 s HIS 356 Cb -0.16 -1.65 -0.04 0.00 -0.13 0.00 0.00 32.58 30.60 3kr5 s HIS 356 CO 0.11 -0.85 0.18 -0.51 -2.47 0.00 0.00 174.74 171.21 3kr5 s LEU 357 N 1.28 4.37 -0.06 8.88 1.02 0.84 -0.34 118.68 134.67 3kr5 s LEU 357 Ca 0.12 0.39 0.01 0.00 0.02 0.00 0.00 54.13 54.67 3kr5 s LEU 357 Cb -0.19 -2.52 0.02 0.00 0.02 0.00 0.00 46.19 43.52 3kr5 s LEU 357 CO -0.17 0.29 -0.07 -0.89 0.02 0.00 0.00 176.35 175.53 3kr5 s THR 358 N -1.27 0.77 -0.20 5.49 2.01 0.11 0.85 115.64 123.41 3kr5 s THR 358 Ca 0.25 -0.25 -0.04 0.00 0.31 0.00 0.00 61.69 61.96 3kr5 s THR 358 Cb -0.13 -0.76 -0.02 0.00 0.01 0.00 0.00 72.50 71.61 3kr5 s THR 358 CO 0.16 0.28 -0.04 -0.47 -0.69 0.00 0.00 174.62 173.86 3kr5 s TYR 359 N 0.91 2.97 -0.07 4.92 5.04 0.83 -1.63 117.35 130.32 3kr5 s TYR 359 Ca -0.11 -0.66 0.03 0.00 -2.44 0.00 0.00 57.07 53.89 3kr5 s TYR 359 Cb -0.15 -2.05 -0.02 0.00 0.35 0.00 0.00 41.96 40.09 3kr5 s TYR 359 CO 0.01 -0.34 -0.15 0.21 -1.34 0.00 0.00 175.55 173.94 3kr5 s LYS 360 N 1.06 2.78 0.71 4.97 2.20 -1.26 0.33 119.74 130.52 3kr5 s LYS 360 Ca 0.01 -0.71 -0.12 0.00 -0.36 0.00 0.00 55.97 54.79 3kr5 s LYS 360 Cb -0.15 -2.44 0.02 0.00 -1.51 0.00 0.00 37.83 33.76 3kr5 s LYS 360 CO 0.00 0.48 1.08 -1.12 -0.36 0.00 0.00 175.35 175.43 3kr5 s SER 361 N -0.36 5.07 0.09 1.43 0.01 0.19 -4.98 113.70 115.16 3kr5 s SER 361 Ca 0.03 1.76 -0.17 0.00 1.31 0.00 0.00 55.95 58.88 3kr5 s SER 361 Cb -0.12 -2.52 -0.07 0.00 0.21 0.00 0.00 66.02 63.52 3kr5 s SER 361 CO 0.02 -1.65 1.51 0.07 0.41 0.00 0.00 173.24 173.60 3kr5 h LYS 362 N -0.66 0.55 0.00 12.44 -0.00 -1.90 -3.46 116.57 123.53 3kr5 h LYS 362 Ca -0.44 -0.19 0.00 0.00 -0.00 0.00 0.00 60.65 60.01 3kr5 h LYS 362 Cb 1.22 -0.04 0.00 0.00 -0.00 0.00 0.00 32.23 33.41 3kr5 h LYS 362 CO 0.54 0.72 0.00 0.41 -0.00 0.00 0.00 179.45 181.13 3kr5 n GLY 363 N -0.23 -1.09 3.76 0.07 0.00 -1.26 -4.97 105.19 101.47 3kr5 n GLY 363 Ca -0.03 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.03 3kr5 n GLY 363 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3kr5 s ASP 364 N -1.16 6.59 -0.26 1.61 1.47 -1.26 -4.81 116.67 118.85 3kr5 s ASP 364 Ca 0.00 2.79 -0.22 0.00 1.18 0.00 0.00 52.55 56.30 3kr5 s ASP 364 Cb 0.00 -2.64 -0.01 0.00 -0.34 0.00 0.00 42.92 39.92 3kr5 s ASP 364 CO 0.00 -0.71 0.69 -0.69 0.68 0.00 0.00 175.17 175.14 3kr5 s VAL 365 N -0.58 4.93 -0.08 2.11 1.01 -1.26 -3.84 120.40 122.68 3kr5 s VAL 365 Ca 0.55 1.23 0.14 0.00 0.00 0.00 0.00 61.98 63.90 3kr5 s VAL 365 Cb -0.43 -4.00 -0.22 0.00 0.00 0.00 0.00 36.38 31.74 3kr5 s VAL 365 CO 0.51 -0.03 0.34 0.29 0.00 0.00 0.00 175.10 176.21 3kr5 n LYS 366 N 5.83 0.63 -3.75 2.72 5.02 0.20 -4.97 118.16 123.85 3kr5 n LYS 366 Ca 0.01 -0.12 -0.13 0.00 -2.02 0.00 0.00 58.31 56.05 3kr5 n LYS 366 Cb 0.48 -1.32 -0.14 0.00 -0.02 0.00 0.00 35.03 34.03 3kr5 n LYS 366 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3kr5 s LYS 367 N -2.93 0.11 -0.18 1.97 2.47 -0.88 -5.04 119.74 115.25 3kr5 s LYS 367 Ca -0.04 0.39 -0.01 0.00 -1.56 0.00 0.00 55.97 54.75 3kr5 s LYS 367 Cb 0.09 -0.17 -0.01 0.00 -1.46 0.00 0.00 37.83 36.29 3kr5 s LYS 367 CO 0.60 -0.16 -0.11 0.15 0.16 0.00 0.00 175.35 175.99 3kr5 s LYS 368 N 1.17 3.31 -0.05 4.03 1.02 -1.26 -1.03 119.74 126.93 3kr5 s LYS 368 Ca -0.09 -0.68 0.04 0.00 0.02 0.00 0.00 55.97 55.25 3kr5 s LYS 368 Cb -0.11 -2.78 0.00 0.00 -0.52 0.00 0.00 37.83 34.42 3kr5 s LYS 368 CO -0.06 -0.03 -0.16 0.42 -0.92 0.00 0.00 175.35 174.60 3kr5 s ILE 369 N 0.98 1.38 -0.25 2.17 1.01 0.46 0.80 121.20 127.75 3kr5 s ILE 369 Ca -0.01 -0.67 -0.05 0.00 0.00 0.00 0.00 60.65 59.91 3kr5 s ILE 369 Cb -0.15 -1.20 -0.01 0.00 0.01 0.00 0.00 42.46 41.12 3kr5 s ILE 369 CO -0.01 0.40 0.01 0.00 0.00 0.00 0.00 174.94 175.34 3kr5 s ALA 370 N 0.17 2.95 -0.30 9.38 0.00 0.25 -0.08 121.76 134.12 3kr5 s ALA 370 Ca -0.06 -1.24 -0.11 0.00 0.00 0.00 0.00 51.96 50.55 3kr5 s ALA 370 Cb -0.12 -1.90 -0.02 0.00 0.00 0.00 0.00 23.12 21.08 3kr5 s ALA 370 CO 0.03 -0.58 0.18 -0.51 0.00 0.00 0.00 175.76 174.88 3kr5 s LEU 371 N 1.51 4.12 -0.21 0.00 1.43 0.14 -0.81 118.68 124.86 3kr5 s LEU 371 Ca 0.05 -0.34 -0.04 0.00 -1.03 0.00 0.00 54.13 52.77 3kr5 s LEU 371 Cb -0.15 -2.06 -0.01 0.00 0.03 0.00 0.00 46.19 44.00 3kr5 s LEU 371 CO -0.00 -0.15 -0.05 -0.69 0.23 0.00 0.00 176.35 175.69 3kr5 s VAL 372 N 1.68 3.44 -0.06 -1.59 1.01 0.85 0.13 120.40 125.86 3kr5 s VAL 372 Ca 0.06 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.59 3kr5 s VAL 372 Cb -0.17 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 3kr5 s VAL 372 CO 0.08 0.44 -0.12 -0.83 0.00 0.00 0.00 175.10 174.67 3kr5 s GLY 373 N 1.24 1.58 0.14 4.51 0.00 0.72 0.28 107.32 115.79 3kr5 s GLY 373 Ca 0.03 -0.95 -0.31 0.00 0.00 0.00 0.00 44.72 43.48 3kr5 s GLY 373 CO -0.01 -0.73 1.47 1.25 0.00 0.00 0.00 173.10 175.08 3kr5 s LYS 374 N -0.73 4.27 -0.46 2.90 2.20 0.11 -4.19 119.74 123.84 3kr5 s LYS 374 Ca 0.11 2.20 0.09 0.00 -0.36 0.00 0.00 55.97 58.02 3kr5 s LYS 374 Cb -0.11 -3.20 0.36 0.00 -1.51 0.00 0.00 37.83 33.37 3kr5 s LYS 374 CO 0.01 -0.51 0.87 0.41 -0.36 0.00 0.00 175.35 175.78 3kr5 n GLY 375 N 3.55 4.48 3.52 5.54 0.00 -1.25 -0.95 105.19 120.07 3kr5 n GLY 375 Ca 0.12 -2.21 -0.43 0.00 0.00 0.00 0.00 46.02 43.50 3kr5 n GLY 375 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kr5 s ILE 376 N -3.62 4.76 0.15 -0.61 -1.09 -0.57 -1.67 121.20 118.55 3kr5 s ILE 376 Ca 0.43 0.13 0.19 0.00 -2.23 0.00 0.00 60.65 59.17 3kr5 s ILE 376 Cb 0.33 -4.26 0.13 0.00 -1.58 0.00 0.00 42.46 37.08 3kr5 s ILE 376 CO -0.10 -0.68 1.72 0.71 -1.23 0.00 0.00 174.94 175.35 3kr5 h THR 377 N 5.91 0.87 -2.63 2.92 1.35 -1.20 -1.71 112.91 118.43 3kr5 h THR 377 Ca -0.25 -1.56 -0.11 0.00 -0.55 0.00 0.00 66.41 63.94 3kr5 h THR 377 Cb 1.09 1.96 -0.25 0.00 -1.73 0.00 0.00 68.15 69.22 3kr5 h THR 377 CO 0.93 0.37 -0.22 0.12 -0.25 0.00 0.00 175.52 176.47 3kr5 s PHE 378 N -3.57 -0.55 -0.45 4.73 5.36 -1.26 -4.32 117.98 117.93 3kr5 s PHE 378 Ca 0.00 1.26 0.01 0.00 -0.96 0.00 0.00 56.93 57.25 3kr5 s PHE 378 Cb 0.11 0.22 0.12 0.00 -0.34 0.00 0.00 43.02 43.13 3kr5 s PHE 378 CO 0.69 -0.28 0.21 0.34 -1.46 0.00 0.00 175.22 174.71 3kr5 s ASP 379 N 0.70 4.85 0.43 6.13 2.15 -1.15 -0.79 116.67 128.99 3kr5 s ASP 379 Ca -0.04 -2.47 0.26 0.00 0.43 0.00 0.00 52.55 50.74 3kr5 s ASP 379 Cb -0.05 -1.72 0.72 0.00 -0.30 0.00 0.00 42.92 41.57 3kr5 s ASP 379 CO -0.05 -0.38 1.74 0.77 -0.17 0.00 0.00 175.17 177.08 3kr5 h SER 380 N 7.33 0.00 0.00 -0.34 4.64 -1.57 -3.45 113.55 120.16 3kr5 h SER 380 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3kr5 h SER 380 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 3kr5 h SER 380 CO 0.64 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.21 3kr5 n GLY 381 N 0.76 2.69 7.00 -0.77 0.00 -1.26 -0.78 105.19 112.84 3kr5 n GLY 381 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3kr5 n GLY 381 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kr5 n GLY 382 N -1.77 0.18 0.29 -0.02 0.00 -1.26 -1.45 105.19 101.16 3kr5 n GLY 382 Ca 0.00 -0.90 0.10 0.00 0.00 0.00 0.00 46.02 45.22 3kr5 n GLY 382 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3kr5 h TYR 383 N 0.00 0.04 0.00 1.61 0.05 -1.82 0.20 116.97 117.04 3kr5 h TYR 383 Ca 0.00 0.00 -0.54 0.00 0.05 0.00 0.00 58.73 58.24 3kr5 h TYR 383 Cb 0.00 -0.01 0.01 0.00 1.01 0.00 0.00 36.73 37.74 3kr5 h TYR 383 CO 0.00 0.02 2.97 0.09 -1.05 0.00 0.00 178.16 180.20 3kr5 n ASN 384 N -4.50 7.50 -4.58 3.88 4.13 -1.21 -4.96 115.26 115.52 3kr5 n ASN 384 Ca 0.00 -2.50 -0.44 0.00 1.68 0.00 0.00 54.58 53.33 3kr5 n ASN 384 Cb 0.21 -1.44 -0.01 0.00 -1.54 0.00 0.00 39.78 37.00 3kr5 n ASN 384 CO 0.00 0.00 0.00 -0.11 0.28 0.00 0.00 177.26 177.43 3kr5 n LEU 385 N 3.51 1.72 -4.57 3.41 7.94 0.06 -4.43 117.00 124.64 3kr5 n LEU 385 Ca 0.67 1.12 -0.36 0.00 -1.11 0.00 0.00 56.01 56.32 3kr5 n LEU 385 Cb 0.31 -1.28 -0.03 0.00 0.53 0.00 0.00 43.42 42.96 3kr5 n LEU 385 CO 0.71 -1.61 1.62 -0.54 -1.11 0.00 0.00 177.39 176.46 3kr5 s LYS 386 N -1.65 3.28 -0.00 1.96 1.02 0.04 -4.50 119.74 119.88 3kr5 s LYS 386 Ca 0.60 -1.26 0.04 0.00 0.02 0.00 0.00 55.97 55.37 3kr5 s LYS 386 Cb -0.66 -5.34 -0.06 0.00 -0.52 0.00 0.00 37.83 31.25 3kr5 s LYS 386 CO 0.59 -2.84 0.13 0.00 -0.92 0.00 0.00 175.35 172.31 3kr5 n ALA 387 N 10.90 2.32 -1.77 5.17 0.00 -1.26 -4.66 120.51 131.22 3kr5 n ALA 387 Ca 0.42 -0.11 -0.37 0.00 0.00 0.00 0.00 53.44 53.38 3kr5 n ALA 387 Cb 0.48 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.78 3kr5 n ALA 387 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kr5 s ALA 388 N -1.90 2.90 0.32 0.00 0.00 -1.26 -4.96 121.76 116.85 3kr5 s ALA 388 Ca -0.00 1.00 -0.29 0.00 0.00 0.00 0.00 51.96 52.67 3kr5 s ALA 388 Cb 0.03 -3.42 -0.12 0.00 0.00 0.00 0.00 23.12 19.61 3kr5 s ALA 388 CO 0.17 -0.82 1.43 -2.30 0.00 0.00 0.00 175.76 174.24 3kr5 n PRO 389 N -0.71 2.37 -0.98 0.00 -0.02 -1.26 -2.29 135.00 132.11 3kr5 n PRO 389 Ca 0.09 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 3kr5 n PRO 389 Cb 0.48 -2.51 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 3kr5 n PRO 389 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kr5 n GLY 390 N 1.34 0.80 0.11 -1.23 0.00 -1.26 -4.88 105.19 100.07 3kr5 n GLY 390 Ca 0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.21 3kr5 n GLY 390 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kr5 n SER 391 N -0.02 0.77 -3.64 1.61 3.41 -0.97 -4.96 113.62 109.83 3kr5 n SER 391 Ca 0.00 0.61 -0.21 0.00 -0.26 0.00 0.00 58.87 59.01 3kr5 n SER 391 Cb 0.01 -0.80 0.04 0.00 -0.26 0.00 0.00 64.21 63.20 3kr5 n SER 391 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3kr5 n MET 392 N -2.26 -5.01 0.24 4.33 2.81 -1.26 -4.84 117.12 111.13 3kr5 n MET 392 Ca 0.04 0.66 0.10 0.00 -1.81 0.00 0.00 57.70 56.70 3kr5 n MET 392 Cb 0.36 -5.29 0.68 0.00 -0.71 0.00 0.00 33.22 28.26 3kr5 n MET 392 CO 0.00 0.00 0.00 0.97 1.51 0.00 0.00 175.97 178.45 3kr5 h ILE 393 N -1.85 0.92 0.00 2.02 2.10 -1.93 -1.60 117.51 117.17 3kr5 h ILE 393 Ca -0.61 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.33 3kr5 h ILE 393 Cb 1.35 0.97 0.00 0.00 -1.09 0.00 0.00 36.82 38.05 3kr5 h ILE 393 CO 0.55 0.00 0.00 -0.90 -1.08 0.00 0.00 178.15 176.72 3kr5 n ASP 394 N -4.44 0.49 0.01 2.19 5.75 -1.26 -1.69 116.55 117.60 3kr5 n ASP 394 Ca -0.02 0.60 0.12 0.00 -0.01 0.00 0.00 54.79 55.48 3kr5 n ASP 394 Cb 0.14 -0.71 0.15 0.00 -1.03 0.00 0.00 41.12 39.66 3kr5 n ASP 394 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 3kr5 n LEU 395 N -2.02 0.62 0.00 -2.12 7.94 -0.60 -4.58 117.00 116.23 3kr5 n LEU 395 Ca 0.03 -0.08 0.08 0.00 -1.11 0.00 0.00 56.01 54.93 3kr5 n LEU 395 Cb 0.25 -0.18 0.48 0.00 0.53 0.00 0.00 43.42 44.50 3kr5 n LEU 395 CO 0.20 0.13 0.69 0.23 -1.11 0.00 0.00 177.39 177.53 3kr5 n MET 396 N -1.60 0.63 0.24 1.96 2.81 -0.68 -0.62 117.12 119.86 3kr5 n MET 396 Ca 0.05 0.00 0.17 0.00 -1.81 0.00 0.00 57.70 56.10 3kr5 n MET 396 Cb 0.35 -1.40 0.81 0.00 -0.71 0.00 0.00 33.22 32.27 3kr5 n MET 396 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 3kr5 h LYS 397 N 0.00 0.00 -0.01 0.03 2.10 -1.81 -2.79 116.57 114.10 3kr5 h LYS 397 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kr5 h LYS 397 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3kr5 h LYS 397 CO 0.00 0.00 -0.01 1.97 -2.00 0.00 0.00 179.45 179.41 3kr5 n PHE 398 N -2.72 0.00 1.62 0.07 -0.00 0.21 -4.00 117.46 112.63 3kr5 n PHE 398 Ca -0.01 0.00 0.06 0.00 -0.00 0.00 0.00 57.45 57.50 3kr5 n PHE 398 Cb 0.14 -0.01 0.34 0.00 -0.00 0.00 0.00 39.48 39.95 3kr5 n PHE 398 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.76 173.29 3kr5 n ASP 399 N -0.48 0.00 -0.79 5.98 2.03 -1.06 -0.95 116.55 121.27 3kr5 n ASP 399 Ca 0.21 -1.26 0.07 0.00 0.52 0.00 0.00 54.79 54.34 3kr5 n ASP 399 Cb 0.23 0.00 0.21 0.00 -0.72 0.00 0.00 41.12 40.84 3kr5 n ASP 399 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 3kr5 n MET 400 N -0.72 2.93 -0.31 -0.67 0.00 -0.64 -1.51 117.12 116.20 3kr5 n MET 400 Ca 0.09 -2.49 0.13 0.00 0.00 0.00 0.00 57.70 55.43 3kr5 n MET 400 Cb 0.04 -1.59 0.31 0.00 0.00 0.00 0.00 33.22 31.98 3kr5 n MET 400 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 3kr5 h SER 401 N 1.94 0.36 -0.53 3.17 0.02 -1.22 0.24 113.55 117.54 3kr5 h SER 401 Ca 0.00 0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 3kr5 h SER 401 Cb 1.13 0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.77 3kr5 h SER 401 CO 0.13 0.02 0.26 1.23 -1.14 0.00 0.00 176.83 177.32 3kr5 h GLY 402 N 0.42 0.81 1.14 -3.77 0.00 -1.76 0.57 103.07 100.49 3kr5 h GLY 402 Ca 0.56 -0.40 -0.09 0.00 0.00 0.00 0.00 47.33 47.40 3kr5 h GLY 402 CO -0.52 0.38 0.04 0.00 0.00 0.00 0.00 176.54 176.45 3kr5 h ALA 404 N 1.07 0.84 -0.30 0.00 0.00 0.26 -0.29 119.26 120.84 3kr5 h ALA 404 Ca 0.18 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3kr5 h ALA 404 Cb 0.50 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3kr5 h ALA 404 CO 0.02 0.64 0.16 0.00 0.00 0.00 0.00 179.25 180.07 3kr5 h ALA 405 N 1.01 0.39 -0.78 0.00 0.00 0.60 0.64 119.26 121.11 3kr5 h ALA 405 Ca 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3kr5 h ALA 405 Cb 0.50 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.14 3kr5 h ALA 405 CO 0.02 -0.07 0.49 0.28 0.00 0.00 0.00 179.25 179.98 3kr5 h VAL 406 N 0.36 1.21 -0.36 0.00 2.07 -0.95 -0.77 116.25 117.82 3kr5 h VAL 406 Ca 0.11 -0.42 -0.14 0.00 0.82 0.00 0.00 66.70 67.06 3kr5 h VAL 406 Cb 0.08 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.94 3kr5 h VAL 406 CO -0.02 0.21 -0.34 -0.07 0.02 0.00 0.00 177.57 177.38 3kr5 h LEU 407 N 1.06 0.85 -0.91 2.57 3.38 -0.62 -0.35 115.31 121.29 3kr5 h LEU 407 Ca 0.28 -0.36 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 3kr5 h LEU 407 Cb -0.08 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.41 3kr5 h LEU 407 CO -0.06 1.10 0.01 1.23 0.09 0.00 0.00 178.44 180.82 3kr5 h GLY 408 N 0.91 0.87 1.02 0.83 0.00 -0.61 -1.03 103.07 105.06 3kr5 h GLY 408 Ca 0.07 -0.58 -0.07 0.00 0.00 0.00 0.00 47.33 46.75 3kr5 h GLY 408 CO 0.08 0.54 0.06 0.00 0.00 0.00 0.00 176.54 177.21 3kr5 h ALA 410 N 0.98 1.26 -0.20 0.00 0.00 -0.47 0.28 119.26 121.10 3kr5 h ALA 410 Ca 0.16 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 3kr5 h ALA 410 Cb 0.45 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3kr5 h ALA 410 CO 0.02 0.16 0.11 -0.92 0.00 0.00 0.00 179.25 178.62 3kr5 h TYR 411 N 0.87 0.27 -0.03 0.00 3.20 -0.32 0.33 116.97 121.29 3kr5 h TYR 411 Ca 0.42 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.28 3kr5 h TYR 411 Cb 0.36 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.54 3kr5 h TYR 411 CO -0.04 0.23 0.02 0.00 -1.64 0.00 0.00 178.16 176.73 3kr5 h VAL 413 N -0.07 1.19 0.00 0.00 2.07 -0.40 0.32 116.25 119.36 3kr5 h VAL 413 Ca 0.01 -0.53 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 3kr5 h VAL 413 Cb 0.13 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 30.47 3kr5 h VAL 413 CO -0.00 0.21 -0.16 1.23 0.02 0.00 0.00 177.57 178.87 3kr5 h GLY 414 N 0.70 0.00 0.40 2.17 0.00 -0.26 0.11 103.07 106.19 3kr5 h GLY 414 Ca 0.18 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.28 3kr5 h GLY 414 CO -0.02 0.00 -1.20 -0.84 0.00 0.00 0.00 176.54 174.48 3kr5 h THR 415 N 0.00 1.12 0.00 4.70 2.02 -0.52 -3.36 112.91 116.87 3kr5 h THR 415 Ca -0.00 -2.36 0.00 0.00 0.77 0.00 0.00 66.41 64.82 3kr5 h THR 415 Cb 0.29 2.73 0.00 0.00 -1.74 0.00 0.00 68.15 69.43 3kr5 h THR 415 CO 0.02 0.63 -0.21 -0.07 0.37 0.00 0.00 175.52 176.26 3kr5 h LEU 416 N -0.51 0.00 -3.14 2.58 3.38 -0.33 -3.48 115.31 113.81 3kr5 h LEU 416 Ca -0.27 -0.04 -0.31 0.00 0.09 0.00 0.00 57.88 57.34 3kr5 h LEU 416 Cb 1.59 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.37 3kr5 h LEU 416 CO 0.01 0.02 -0.69 0.29 0.09 0.00 0.00 178.44 178.16 3kr5 n LYS 417 N -2.49 -1.36 -1.33 1.13 5.02 0.37 -4.94 118.16 114.56 3kr5 n LYS 417 Ca 0.04 0.90 -0.32 0.00 -2.02 0.00 0.00 58.31 56.91 3kr5 n LYS 417 Cb 0.47 -4.00 0.09 0.00 -0.02 0.00 0.00 35.03 31.57 3kr5 n LYS 417 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3kr5 s PRO 418 N -4.66 2.19 0.22 1.97 0.04 -1.26 -5.04 135.00 128.46 3kr5 s PRO 418 Ca 0.16 1.37 0.05 0.00 0.04 0.00 0.00 61.00 62.62 3kr5 s PRO 418 Cb -0.06 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.57 3kr5 s PRO 418 CO 0.84 -1.72 0.29 -1.21 0.04 0.00 0.00 177.00 175.24 3kr5 s GLU 419 N -4.51 3.26 -1.87 4.56 2.02 -1.26 -4.54 118.70 116.36 3kr5 s GLU 419 Ca 0.65 -0.82 0.00 0.00 0.02 0.00 0.00 54.97 54.82 3kr5 s GLU 419 Cb -0.21 -2.80 0.00 0.00 0.10 0.00 0.00 34.13 31.23 3kr5 s GLU 419 CO 0.51 0.44 0.00 0.09 0.02 0.00 0.00 175.26 176.32 3kr5 n ASN 420 N -1.13 -5.19 -4.16 -0.19 3.02 -1.25 -4.74 115.26 101.62 3kr5 n ASN 420 Ca -0.08 0.39 -0.23 0.00 -0.03 0.00 0.00 54.58 54.62 3kr5 n ASN 420 Cb 0.57 -4.28 -0.15 0.00 -0.61 0.00 0.00 39.78 35.31 3kr5 n ASN 420 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 3kr5 s VAL 421 N -2.70 1.29 -0.23 2.41 -7.23 -1.26 -0.62 120.40 112.05 3kr5 s VAL 421 Ca 0.00 -0.81 -0.02 0.00 -1.81 0.00 0.00 61.98 59.34 3kr5 s VAL 421 Cb 0.00 -1.09 0.01 0.00 0.56 0.00 0.00 36.38 35.86 3kr5 s VAL 421 CO 0.00 0.27 -0.07 -0.70 -0.31 0.00 0.00 175.10 174.29 3kr5 s GLU 422 N -0.63 3.09 -0.11 4.82 2.12 -0.20 -0.63 118.70 127.17 3kr5 s GLU 422 Ca 0.05 -0.80 0.01 0.00 0.36 0.00 0.00 54.97 54.59 3kr5 s GLU 422 Cb -0.07 -2.95 -0.01 0.00 0.26 0.00 0.00 34.13 31.36 3kr5 s GLU 422 CO 0.00 -0.29 -0.16 0.42 -0.54 0.00 0.00 175.26 174.70 3kr5 s ILE 423 N 1.39 2.84 -0.21 -3.70 1.01 0.15 -0.41 121.20 122.27 3kr5 s ILE 423 Ca 0.03 -0.75 -0.07 0.00 0.00 0.00 0.00 60.65 59.87 3kr5 s ILE 423 Cb -0.15 -2.16 -0.03 0.00 0.01 0.00 0.00 42.46 40.13 3kr5 s ILE 423 CO -0.05 0.54 0.04 -1.00 0.00 0.00 0.00 174.94 174.47 3kr5 s HIS 424 N 0.19 3.12 -0.34 3.97 3.76 0.88 -0.12 115.29 126.76 3kr5 s HIS 424 Ca -0.09 -0.26 -0.11 0.00 -0.15 0.00 0.00 55.06 54.45 3kr5 s HIS 424 Cb -0.16 -2.13 0.00 0.00 1.11 0.00 0.00 32.58 31.41 3kr5 s HIS 424 CO 0.06 -0.14 0.19 -0.06 -0.85 0.00 0.00 174.74 173.93 3kr5 s PHE 425 N 0.99 3.21 -0.02 1.40 0.08 0.25 0.27 117.98 124.15 3kr5 s PHE 425 Ca 0.03 -0.66 0.08 0.00 0.12 0.00 0.00 56.93 56.50 3kr5 s PHE 425 Cb -0.14 -2.41 -0.02 0.00 -0.57 0.00 0.00 43.02 39.88 3kr5 s PHE 425 CO 0.03 -0.51 -0.26 -0.51 -0.10 0.00 0.00 175.22 173.87 3kr5 s LEU 426 N 1.61 2.05 -0.19 -0.37 1.43 0.12 -0.12 118.68 123.22 3kr5 s LEU 426 Ca 0.04 -0.47 -0.09 0.00 -1.03 0.00 0.00 54.13 52.58 3kr5 s LEU 426 Cb -0.18 -1.33 0.07 0.00 0.03 0.00 0.00 46.19 44.78 3kr5 s LEU 426 CO 0.07 0.31 0.43 -0.55 0.23 0.00 0.00 176.35 176.84 3kr5 s SER 427 N -0.54 -0.48 -0.68 2.29 0.15 -0.41 -0.20 113.70 113.84 3kr5 s SER 427 Ca 0.08 0.96 -0.24 0.00 0.70 0.00 0.00 55.95 57.45 3kr5 s SER 427 Cb -0.10 0.97 0.06 0.00 -1.71 0.00 0.00 66.02 65.24 3kr5 s SER 427 CO -0.00 -0.21 1.07 0.00 1.20 0.00 0.00 173.24 175.30 3kr5 s ALA 428 N 1.75 2.99 -0.16 5.45 0.00 -1.26 0.57 121.76 131.10 3kr5 s ALA 428 Ca -0.07 -1.66 -0.08 0.00 0.00 0.00 0.00 51.96 50.14 3kr5 s ALA 428 Cb -0.09 -3.99 -0.04 0.00 0.00 0.00 0.00 23.12 18.99 3kr5 s ALA 428 CO -0.13 -2.94 0.13 0.08 0.00 0.00 0.00 175.76 172.90 3kr5 s VAL 429 N 4.62 5.43 0.20 0.00 1.01 -0.22 -3.92 120.40 127.53 3kr5 s VAL 429 Ca 0.27 0.19 -0.19 0.00 0.00 0.00 0.00 61.98 62.25 3kr5 s VAL 429 Cb -0.14 -3.42 0.07 0.00 0.00 0.00 0.00 36.38 32.89 3kr5 s VAL 429 CO 0.12 0.54 0.90 0.00 0.00 0.00 0.00 175.10 176.66 3kr5 s GLU 431 N -2.05 1.78 -0.57 0.00 2.12 -1.26 -0.73 118.70 117.98 3kr5 s GLU 431 Ca 0.20 -0.49 -0.20 0.00 0.36 0.00 0.00 54.97 54.83 3kr5 s GLU 431 Cb -0.03 -1.48 0.08 0.00 0.26 0.00 0.00 34.13 32.96 3kr5 s GLU 431 CO 0.06 0.10 0.74 1.21 -0.54 0.00 0.00 175.26 176.83 3kr5 s ASN 432 N 0.44 6.21 0.31 -1.70 2.47 0.03 -4.24 114.94 118.47 3kr5 s ASN 432 Ca -0.11 -1.09 0.05 0.00 0.42 0.00 0.00 52.86 52.12 3kr5 s ASN 432 Cb -0.14 -2.33 -0.06 0.00 -1.45 0.00 0.00 41.25 37.26 3kr5 s ASN 432 CO 0.04 -1.11 0.02 -0.04 -3.72 0.00 0.00 177.10 172.29 3kr5 s MET 433 N 3.01 1.62 -0.17 0.43 -1.94 -1.26 -1.31 119.30 119.67 3kr5 s MET 433 Ca 0.16 -1.87 -0.04 0.00 -1.71 0.00 0.00 55.69 52.22 3kr5 s MET 433 Cb -0.20 -0.97 -0.03 0.00 2.01 0.00 0.00 34.83 35.64 3kr5 s MET 433 CO 0.10 -0.11 -0.02 0.08 -0.01 0.00 0.00 175.02 175.06 3kr5 s VAL 434 N -3.20 3.98 0.03 -6.03 1.01 -1.26 -4.49 120.40 110.45 3kr5 s VAL 434 Ca 0.34 -0.32 -0.28 0.00 0.00 0.00 0.00 61.98 61.72 3kr5 s VAL 434 Cb 0.07 -2.77 0.09 0.00 0.00 0.00 0.00 36.38 33.78 3kr5 s VAL 434 CO 0.14 0.47 0.90 -0.55 0.00 0.00 0.00 175.10 176.07 3kr5 s SER 435 N 0.55 -0.33 0.63 3.32 0.15 -1.26 -4.98 113.70 111.78 3kr5 s SER 435 Ca -0.02 -0.09 0.37 0.00 0.70 0.00 0.00 55.95 56.91 3kr5 s SER 435 Cb -0.14 0.41 2.09 0.00 -1.71 0.00 0.00 66.02 66.67 3kr5 s SER 435 CO 0.02 -0.68 2.28 0.07 1.20 0.00 0.00 173.24 176.13 3kr5 h LYS 436 N 2.00 0.00 -0.02 5.44 2.10 -1.97 -2.55 116.57 121.57 3kr5 h LYS 436 Ca -0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.42 3kr5 h LYS 436 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 3kr5 h LYS 436 CO 0.30 0.00 -0.07 0.09 -2.00 0.00 0.00 179.45 177.77 3kr5 n ASN 437 N -3.42 2.21 -4.77 7.07 5.03 -1.26 -4.98 115.26 115.14 3kr5 n ASN 437 Ca -0.02 -1.69 -0.32 0.00 0.87 0.00 0.00 54.58 53.42 3kr5 n ASN 437 Cb 0.12 0.06 0.07 0.00 -1.02 0.00 0.00 39.78 39.01 3kr5 n ASN 437 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 3kr5 s SER 438 N -2.09 4.86 0.65 6.41 0.01 -0.96 -3.55 113.70 119.02 3kr5 s SER 438 Ca 0.30 1.90 -0.14 0.00 1.31 0.00 0.00 55.95 59.32 3kr5 s SER 438 Cb 0.20 -2.53 -0.01 0.00 0.21 0.00 0.00 66.02 63.88 3kr5 s SER 438 CO 0.36 -1.79 1.06 -0.72 0.41 0.00 0.00 173.24 172.56 3kr5 s TYR 439 N -2.63 2.98 0.27 2.43 1.13 -1.26 -4.83 117.35 115.44 3kr5 s TYR 439 Ca 0.64 1.49 0.10 0.00 -1.41 0.00 0.00 57.07 57.88 3kr5 s TYR 439 Cb -0.19 -2.98 -0.04 0.00 -1.10 0.00 0.00 41.96 37.65 3kr5 s TYR 439 CO 0.49 -1.24 -0.01 1.03 -2.51 0.00 0.00 175.55 173.30 3kr5 s ARG 440 N -4.46 2.23 0.26 -3.49 0.52 -1.26 -4.57 118.95 108.17 3kr5 s ARG 440 Ca 0.62 -1.47 -0.31 0.00 -0.52 0.00 0.00 55.73 54.05 3kr5 s ARG 440 Cb -0.16 -2.11 -0.12 0.00 0.52 0.00 0.00 34.95 33.08 3kr5 s ARG 440 CO 0.45 0.34 1.63 -2.30 0.02 0.00 0.00 175.30 175.43 3kr5 n PRO 441 N -0.89 2.67 0.00 3.54 -0.02 -1.26 -2.21 135.00 136.83 3kr5 n PRO 441 Ca -0.06 0.95 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 3kr5 n PRO 441 Cb 0.59 -2.75 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 3kr5 n PRO 441 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kr5 n GLY 442 N 2.83 2.83 3.65 -1.23 0.00 0.40 -5.01 105.19 108.65 3kr5 n GLY 442 Ca 0.12 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.70 3kr5 n GLY 442 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kr5 n ASP 443 N 0.00 2.15 -4.45 1.61 9.92 -0.94 -4.49 116.55 120.36 3kr5 n ASP 443 Ca 0.00 1.19 -0.34 0.00 -0.53 0.00 0.00 54.79 55.11 3kr5 n ASP 443 Cb 0.00 -1.39 -0.13 0.00 -0.64 0.00 0.00 41.12 38.96 3kr5 n ASP 443 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3kr5 s ILE 444 N -0.95 3.79 0.19 0.53 1.01 -1.26 -0.31 121.20 124.21 3kr5 s ILE 444 Ca 0.58 -0.38 0.07 0.00 0.00 0.00 0.00 60.65 60.92 3kr5 s ILE 444 Cb -0.64 -2.68 -0.05 0.00 0.01 0.00 0.00 42.46 39.10 3kr5 s ILE 444 CO 0.60 0.46 -0.13 0.27 0.00 0.00 0.00 174.94 176.14 3kr5 s ILE 445 N 0.71 1.60 -0.21 2.92 -4.36 0.41 -4.90 121.20 117.38 3kr5 s ILE 445 Ca -0.02 -2.18 -0.00 0.00 -0.26 0.00 0.00 60.65 58.20 3kr5 s ILE 445 Cb -0.14 -2.01 0.02 0.00 1.25 0.00 0.00 42.46 41.57 3kr5 s ILE 445 CO 0.02 -0.62 -0.14 -0.89 0.24 0.00 0.00 174.94 173.55 3kr5 s THR 446 N -3.06 2.42 0.90 8.37 2.01 -1.26 0.11 115.64 125.13 3kr5 s THR 446 Ca 0.21 -0.96 -0.11 0.00 0.31 0.00 0.00 61.69 61.14 3kr5 s THR 446 Cb 0.00 -2.12 0.13 0.00 0.01 0.00 0.00 72.50 70.52 3kr5 s THR 446 CO 0.06 0.40 1.09 0.00 -0.69 0.00 0.00 174.62 175.48 3kr5 s ALA 447 N 1.31 1.54 -0.10 7.40 0.00 0.51 -2.48 121.76 129.93 3kr5 s ALA 447 Ca 0.03 -0.03 0.27 0.00 0.00 0.00 0.00 51.96 52.23 3kr5 s ALA 447 Cb -0.15 -3.21 1.36 0.00 0.00 0.00 0.00 23.12 21.13 3kr5 s ALA 447 CO -0.09 -2.37 1.82 0.66 0.00 0.00 0.00 175.76 175.78 3kr5 h SER 448 N -1.56 0.00 -0.45 0.00 4.64 -1.66 -0.41 113.55 114.12 3kr5 h SER 448 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3kr5 h SER 448 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3kr5 h SER 448 CO 0.54 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.04 3kr5 n ASN 449 N -2.45 2.52 0.00 4.97 6.94 -1.26 -4.91 115.26 121.07 3kr5 n ASN 449 Ca -0.01 -1.98 0.00 0.00 -0.02 0.00 0.00 54.58 52.57 3kr5 n ASN 449 Cb 0.11 -0.30 0.00 0.00 -2.36 0.00 0.00 39.78 37.22 3kr5 n ASN 449 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3kr5 n GLY 450 N 1.26 2.00 3.71 4.83 0.00 -0.16 -5.03 105.19 111.79 3kr5 n GLY 450 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3kr5 n GLY 450 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kr5 s LYS 451 N -0.40 4.25 0.08 1.61 1.02 -1.26 -4.72 119.74 120.32 3kr5 s LYS 451 Ca 0.00 2.25 -0.23 0.00 0.02 0.00 0.00 55.97 58.01 3kr5 s LYS 451 Cb 0.00 -3.24 -0.06 0.00 -0.52 0.00 0.00 37.83 34.00 3kr5 s LYS 451 CO 0.00 -0.56 0.70 0.95 -0.92 0.00 0.00 175.35 175.51 3kr5 s THR 452 N 1.32 4.66 -0.12 2.17 -4.23 -1.26 -0.36 115.64 117.81 3kr5 s THR 452 Ca 0.68 1.49 0.03 0.00 -1.18 0.00 0.00 61.69 62.71 3kr5 s THR 452 Cb -0.41 -4.04 0.01 0.00 1.34 0.00 0.00 72.50 69.40 3kr5 s THR 452 CO 0.31 0.46 -0.21 -0.63 -0.54 0.00 0.00 174.62 174.01 3kr5 s ILE 453 N -0.62 1.92 -0.20 2.99 1.01 0.31 -1.35 121.20 125.25 3kr5 s ILE 453 Ca 0.34 -0.91 -0.24 0.00 0.00 0.00 0.00 60.65 59.85 3kr5 s ILE 453 Cb -0.21 -1.69 -0.01 0.00 0.01 0.00 0.00 42.46 40.56 3kr5 s ILE 453 CO 0.22 0.52 0.77 -0.70 0.00 0.00 0.00 174.94 175.75 3kr5 s GLU 454 N 0.71 4.23 -0.50 2.79 2.12 0.14 -0.44 118.70 127.75 3kr5 s GLU 454 Ca -0.11 0.87 -0.29 0.00 0.36 0.00 0.00 54.97 55.80 3kr5 s GLU 454 Cb -0.16 -3.60 0.03 0.00 0.26 0.00 0.00 34.13 30.66 3kr5 s GLU 454 CO 0.01 -0.37 1.17 0.08 -0.54 0.00 0.00 175.26 175.62 3kr5 s VAL 455 N 2.31 4.14 -0.38 3.70 1.01 0.58 -1.13 120.40 130.64 3kr5 s VAL 455 Ca 0.34 1.13 0.23 0.00 0.00 0.00 0.00 61.98 63.68 3kr5 s VAL 455 Cb -0.16 -4.61 -0.04 0.00 0.00 0.00 0.00 36.38 31.57 3kr5 s VAL 455 CO 0.10 -1.07 1.05 0.61 0.00 0.00 0.00 175.10 175.79 3kr5 n GLY 456 N 4.92 -1.37 3.50 4.51 0.00 -1.26 0.15 105.19 115.64 3kr5 n GLY 456 Ca 0.12 -0.29 0.01 0.00 0.00 0.00 0.00 46.02 45.85 3kr5 n GLY 456 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kr5 s ASN 457 N -4.77 -1.13 0.61 1.61 3.84 -1.26 -4.77 114.94 109.07 3kr5 s ASN 457 Ca 0.01 1.31 0.39 0.00 0.21 0.00 0.00 52.86 54.78 3kr5 s ASN 457 Cb 0.12 2.19 1.89 0.00 -0.55 0.00 0.00 41.25 44.90 3kr5 s ASN 457 CO 0.79 -0.22 2.18 0.71 -2.79 0.00 0.00 177.10 177.77 3kr5 h THR 458 N 5.94 0.04 0.00 -5.21 1.35 -1.90 -0.79 112.91 112.33 3kr5 h THR 458 Ca -0.19 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 3kr5 h THR 458 Cb 1.12 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.79 3kr5 h THR 458 CO 0.13 0.01 0.00 -0.78 -0.25 0.00 0.00 175.52 174.63 3kr5 h ASP 459 N 0.00 0.00 -1.15 5.36 3.58 -1.46 -3.25 116.42 119.50 3kr5 h ASP 459 Ca -0.00 0.00 -0.70 0.00 0.42 0.00 0.00 57.03 56.75 3kr5 h ASP 459 Cb 0.25 0.00 -0.13 0.00 1.72 0.00 0.00 39.33 41.17 3kr5 h ASP 459 CO 0.00 0.00 2.06 0.00 -2.88 0.00 0.00 179.24 178.42 3kr5 n ALA 460 N -1.80 6.75 0.08 -0.78 0.00 -0.30 -4.66 120.51 119.78 3kr5 n ALA 460 Ca 0.04 -3.91 0.05 0.00 0.00 0.00 0.00 53.44 49.61 3kr5 n ALA 460 Cb 0.34 -2.66 -0.03 0.00 0.00 0.00 0.00 19.45 17.10 3kr5 n ALA 460 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3kr5 h GLU 461 N 4.32 0.00 0.01 0.00 9.09 -1.78 -3.37 114.58 122.85 3kr5 h GLU 461 Ca 0.65 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 60.06 3kr5 h GLU 461 Cb 0.37 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.47 3kr5 h GLU 461 CO 1.37 0.20 -0.00 0.78 0.05 0.00 0.00 179.01 181.41 3kr5 h GLY 462 N 3.80 -0.01 1.54 1.06 0.00 -1.91 -1.37 103.07 106.18 3kr5 h GLY 462 Ca -0.08 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.29 3kr5 h GLY 462 CO 0.03 -0.00 0.22 0.07 0.00 0.00 0.00 176.54 176.86 3kr5 h ARG 463 N -0.09 0.28 -0.22 4.80 0.11 -1.94 0.41 114.38 117.73 3kr5 h ARG 463 Ca -0.00 -0.02 -0.04 0.00 0.10 0.00 0.00 59.98 60.02 3kr5 h ARG 463 Cb 0.09 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.09 3kr5 h ARG 463 CO 0.00 0.19 -0.03 -0.07 0.10 0.00 0.00 179.97 180.16 3kr5 h LEU 464 N 0.29 0.41 -0.37 0.08 3.38 -1.45 0.88 115.31 118.53 3kr5 h LEU 464 Ca 0.14 -0.34 -0.10 0.00 0.09 0.00 0.00 57.88 57.67 3kr5 h LEU 464 Cb 0.20 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3kr5 h LEU 464 CO -0.03 0.65 -0.15 0.71 0.09 0.00 0.00 178.44 179.71 3kr5 h THR 465 N 0.15 1.28 -0.37 0.22 1.35 -0.20 -2.84 112.91 112.50 3kr5 h THR 465 Ca 0.06 -1.27 -0.02 0.00 -0.55 0.00 0.00 66.41 64.63 3kr5 h THR 465 Cb 0.46 1.32 -0.02 0.00 -1.73 0.00 0.00 68.15 68.18 3kr5 h THR 465 CO 0.02 0.42 0.12 -0.07 -0.25 0.00 0.00 175.52 175.76 3kr5 h LEU 466 N 0.55 0.47 -0.24 3.87 3.38 -0.18 -1.32 115.31 121.84 3kr5 h LEU 466 Ca 0.09 -0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.06 3kr5 h LEU 466 Cb 0.69 -0.12 -0.06 0.00 0.09 0.00 0.00 40.66 41.26 3kr5 h LEU 466 CO 0.05 0.45 -0.16 0.00 0.09 0.00 0.00 178.44 178.87 3kr5 h ALA 467 N 1.62 0.01 -0.10 1.53 0.00 -0.58 0.56 119.26 122.30 3kr5 h ALA 467 Ca 0.13 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.99 3kr5 h ALA 467 Cb 0.14 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3kr5 h ALA 467 CO -0.01 -0.58 -0.52 -0.44 0.00 0.00 0.00 179.25 177.70 3kr5 h ASP 468 N -0.15 0.30 -0.41 0.00 3.32 -1.32 -1.91 116.42 116.25 3kr5 h ASP 468 Ca 0.13 -0.15 -0.15 0.00 0.02 0.00 0.00 57.03 56.88 3kr5 h ASP 468 Cb 0.35 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 3kr5 h ASP 468 CO -0.33 0.77 -0.33 0.00 -1.72 0.00 0.00 179.24 177.63 3kr5 h ALA 469 N 1.24 0.60 -0.43 3.45 0.00 -0.48 -1.65 119.26 121.99 3kr5 h ALA 469 Ca 0.01 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 3kr5 h ALA 469 Cb 0.99 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3kr5 h ALA 469 CO 0.08 0.67 0.21 -0.07 0.00 0.00 0.00 179.25 180.14 3kr5 h LEU 470 N 0.79 0.56 -0.76 0.00 3.38 0.32 0.30 115.31 119.90 3kr5 h LEU 470 Ca 0.08 -0.13 0.02 0.00 0.09 0.00 0.00 57.88 57.94 3kr5 h LEU 470 Cb 0.92 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 3kr5 h LEU 470 CO 0.09 0.53 0.49 0.58 0.09 0.00 0.00 178.44 180.22 3kr5 h VAL 471 N 0.56 1.14 0.00 1.22 2.07 -1.27 0.36 116.25 120.33 3kr5 h VAL 471 Ca 0.15 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 3kr5 h VAL 471 Cb 0.12 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 29.97 3kr5 h VAL 471 CO -0.02 0.18 -0.00 0.22 0.02 0.00 0.00 177.57 177.97 3kr5 h TYR 472 N 0.97 -0.00 -0.58 1.57 3.20 -0.90 -1.90 116.97 119.33 3kr5 h TYR 472 Ca 0.30 -0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.23 3kr5 h TYR 472 Cb -0.03 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.19 3kr5 h TYR 472 CO -0.03 0.03 0.27 0.00 -1.64 0.00 0.00 178.16 176.79 3kr5 h ALA 473 N 0.97 0.75 -0.15 1.82 0.00 0.11 -1.88 119.26 120.89 3kr5 h ALA 473 Ca -0.00 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 3kr5 h ALA 473 Cb 0.03 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3kr5 h ALA 473 CO 0.00 -0.10 -0.37 1.49 0.00 0.00 0.00 179.25 180.27 3kr5 h GLU 474 N 0.51 0.32 0.00 0.00 4.81 -0.86 -1.36 114.58 118.00 3kr5 h GLU 474 Ca 0.27 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.35 3kr5 h GLU 474 Cb 0.23 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.61 3kr5 h GLU 474 CO -0.22 0.65 -0.01 0.87 -0.73 0.00 0.00 179.01 179.58 3kr5 h LYS 475 N 0.27 0.00 0.00 1.92 1.57 -0.51 -1.13 116.57 118.69 3kr5 h LYS 475 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3kr5 h LYS 475 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.10 3kr5 h LYS 475 CO 0.06 0.01 0.00 1.28 -0.57 0.00 0.00 179.45 180.23 3kr5 n LEU 476 N -3.18 0.48 -2.65 2.94 4.32 -0.51 -4.93 117.00 113.47 3kr5 n LEU 476 Ca -0.02 0.60 -0.11 0.00 -0.02 0.00 0.00 56.01 56.46 3kr5 n LEU 476 Cb 0.14 -0.52 0.05 0.00 -1.62 0.00 0.00 43.42 41.47 3kr5 n LEU 476 CO 0.23 -0.41 0.05 0.61 -1.22 0.00 0.00 177.39 176.65 3kr5 n GLY 477 N 0.23 -0.25 3.99 -0.72 0.00 -0.43 -5.04 105.19 102.96 3kr5 n GLY 477 Ca 0.03 0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 3kr5 n GLY 477 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3kr5 s VAL 478 N -3.25 3.59 -0.04 1.61 -7.23 -1.26 -4.94 120.40 108.88 3kr5 s VAL 478 Ca 0.13 -0.85 -0.02 0.00 -1.81 0.00 0.00 61.98 59.43 3kr5 s VAL 478 Cb -0.02 -3.26 -0.27 0.00 0.56 0.00 0.00 36.38 33.40 3kr5 s VAL 478 CO 0.49 -0.13 0.69 0.44 -0.31 0.00 0.00 175.10 176.28 3kr5 h ASP 479 N 0.61 0.35 -4.22 4.85 3.32 0.02 -3.47 116.42 117.88 3kr5 h ASP 479 Ca -0.44 -0.58 -0.47 0.00 0.02 0.00 0.00 57.03 55.56 3kr5 h ASP 479 Cb 1.27 -0.11 -0.28 0.00 0.22 0.00 0.00 39.33 40.42 3kr5 h ASP 479 CO 0.52 1.50 -0.81 -0.31 -1.72 0.00 0.00 179.24 178.42 3kr5 s TYR 480 N -2.60 1.24 -0.20 4.55 2.02 -1.00 -3.72 117.35 117.64 3kr5 s TYR 480 Ca -0.12 -0.26 -0.00 0.00 -0.37 0.00 0.00 57.07 56.32 3kr5 s TYR 480 Cb 0.07 -0.79 0.02 0.00 -0.40 0.00 0.00 41.96 40.86 3kr5 s TYR 480 CO 0.83 -0.01 -0.14 0.42 -1.57 0.00 0.00 175.55 175.08 3kr5 s ILE 481 N -0.43 2.47 -0.20 2.71 1.01 -0.33 -0.59 121.20 125.85 3kr5 s ILE 481 Ca 0.05 -0.89 -0.01 0.00 0.00 0.00 0.00 60.65 59.79 3kr5 s ILE 481 Cb -0.06 -2.12 0.01 0.00 0.01 0.00 0.00 42.46 40.30 3kr5 s ILE 481 CO -0.00 0.43 -0.12 -0.69 0.00 0.00 0.00 174.94 174.56 3kr5 s VAL 482 N 1.33 2.72 0.11 2.92 1.01 0.01 -1.26 120.40 127.23 3kr5 s VAL 482 Ca 0.04 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.33 3kr5 s VAL 482 Cb -0.14 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.00 3kr5 s VAL 482 CO -0.09 0.48 0.17 1.51 0.00 0.00 0.00 175.10 177.17 3kr5 s ASP 483 N 1.36 5.92 -0.02 3.32 1.47 -0.26 -0.10 116.67 128.36 3kr5 s ASP 483 Ca 0.05 0.07 0.00 0.00 1.18 0.00 0.00 52.55 53.86 3kr5 s ASP 483 Cb -0.14 -1.69 0.02 0.00 -0.34 0.00 0.00 42.92 40.78 3kr5 s ASP 483 CO -0.08 0.12 0.01 -0.51 0.68 0.00 0.00 175.17 175.39 3kr5 s ILE 484 N -1.58 0.06 -0.27 2.11 2.07 0.14 -0.36 121.20 123.37 3kr5 s ILE 484 Ca 0.32 0.13 -0.24 0.00 -1.41 0.00 0.00 60.65 59.45 3kr5 s ILE 484 Cb -0.12 -0.16 0.08 0.00 0.13 0.00 0.00 42.46 42.39 3kr5 s ILE 484 CO 0.25 0.11 0.79 0.00 -1.91 0.00 0.00 174.94 174.18 3kr5 s ALA 485 N 0.91 -1.84 -1.31 1.50 0.00 -0.34 -0.71 121.76 119.97 3kr5 s ALA 485 Ca -0.08 2.03 -0.18 0.00 0.00 0.00 0.00 51.96 53.74 3kr5 s ALA 485 Cb -0.12 -1.27 0.05 0.00 0.00 0.00 0.00 23.12 21.78 3kr5 s ALA 485 CO -0.02 -0.32 1.85 0.25 0.00 0.00 0.00 175.76 177.52 3kr5 n THR 486 N 2.75 3.69 -0.06 0.00 -2.24 -1.26 -0.75 114.28 116.39 3kr5 n THR 486 Ca -0.14 -3.72 -0.21 0.00 -2.27 0.00 0.00 64.05 57.70 3kr5 n THR 486 Cb 0.56 -2.39 -0.12 0.00 -2.10 0.00 0.00 70.33 66.27 3kr5 n THR 486 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3kr5 h LEU 487 N 12.45 0.14 -7.52 3.22 5.85 -1.90 -3.44 115.31 124.10 3kr5 h LEU 487 Ca 0.46 -0.68 -0.37 0.00 0.84 0.00 0.00 57.88 58.13 3kr5 h LEU 487 Cb 0.83 -0.05 -0.36 0.00 0.37 0.00 0.00 40.66 41.45 3kr5 h LEU 487 CO 1.53 1.56 -0.75 0.42 -0.34 0.00 0.00 178.44 180.86 3kr5 s THR 488 N -2.41 0.17 0.55 1.05 -4.23 -1.26 -4.95 115.64 104.56 3kr5 s THR 488 Ca -0.26 0.16 0.25 0.00 -1.18 0.00 0.00 61.69 60.67 3kr5 s THR 488 Cb 0.05 -0.31 0.37 0.00 1.34 0.00 0.00 72.50 73.95 3kr5 s THR 488 CO 0.66 0.18 2.04 1.23 -0.54 0.00 0.00 174.62 178.19 3kr5 h GLY 489 N 7.73 0.00 0.32 3.99 0.00 -1.93 -0.89 103.07 112.29 3kr5 h GLY 489 Ca -0.31 0.00 0.22 0.00 0.00 0.00 0.00 47.33 47.24 3kr5 h GLY 489 CO 0.36 0.00 0.60 0.00 0.00 0.00 0.00 176.54 177.50 3kr5 h ALA 490 N 1.76 2.45 -1.13 3.60 0.00 -1.95 -0.84 119.26 123.15 3kr5 h ALA 490 Ca 0.16 -0.00 0.32 0.00 0.00 0.00 0.00 54.91 55.39 3kr5 h ALA 490 Cb 0.73 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.46 3kr5 h ALA 490 CO -0.00 -0.72 0.77 0.52 0.00 0.00 0.00 179.25 179.82 3kr5 h MET 491 N 0.23 0.16 0.00 0.00 2.86 -1.55 0.79 114.93 117.43 3kr5 h MET 491 Ca 0.44 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 58.03 3kr5 h MET 491 Cb 1.35 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.96 3kr5 h MET 491 CO -0.11 0.11 -0.20 -0.07 1.06 0.00 0.00 176.91 177.70 3kr5 h LEU 492 N 0.17 0.00 0.00 1.22 3.38 -1.36 0.39 115.31 119.10 3kr5 h LEU 492 Ca 0.59 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.47 3kr5 h LEU 492 Cb 1.96 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.69 3kr5 h LEU 492 CO -0.15 0.20 -1.31 -1.22 0.09 0.00 0.00 178.44 176.05 3kr5 n TYR 493 N -3.97 0.87 -0.03 1.13 4.02 0.26 -3.60 117.16 115.83 3kr5 n TYR 493 Ca -0.02 0.27 -0.02 0.00 -0.01 0.00 0.00 57.90 58.12 3kr5 n TYR 493 Cb 0.28 -0.98 -0.01 0.00 -0.02 0.00 0.00 39.34 38.61 3kr5 n TYR 493 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3kr5 n SER 494 N -2.74 0.84 -0.04 7.72 3.41 -0.48 -4.79 113.62 117.55 3kr5 n SER 494 Ca -0.06 0.40 0.02 0.00 -0.26 0.00 0.00 58.87 58.98 3kr5 n SER 494 Cb 0.70 -0.67 -0.14 0.00 -0.26 0.00 0.00 64.21 63.84 3kr5 n SER 494 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3kr5 n LEU 495 N -3.35 0.00 0.00 1.04 4.77 -0.12 -5.09 117.00 114.25 3kr5 n LEU 495 Ca -0.04 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 3kr5 n LEU 495 Cb 0.14 0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 3kr5 n LEU 495 CO 0.05 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 3kr5 n GLY 496 N 1.67 -0.09 0.53 -0.72 0.00 -0.06 -4.32 105.19 102.20 3kr5 n GLY 496 Ca -0.12 -1.67 0.12 0.00 0.00 0.00 0.00 46.02 44.35 3kr5 n GLY 496 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kr5 n THR 497 N 0.00 0.00 -0.09 2.61 -2.24 -1.26 -4.22 114.28 109.08 3kr5 n THR 497 Ca 0.00 -0.28 -0.10 0.00 -2.27 0.00 0.00 64.05 61.40 3kr5 n THR 497 Cb 0.00 1.11 -0.11 0.00 -2.10 0.00 0.00 70.33 69.23 3kr5 n THR 497 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3kr5 n SER 498 N 0.11 1.73 -4.29 3.42 7.64 -1.26 -4.26 113.62 116.72 3kr5 n SER 498 Ca 0.11 -0.05 -0.32 0.00 1.01 0.00 0.00 58.87 59.62 3kr5 n SER 498 Cb 0.46 0.35 -0.16 0.00 -1.01 0.00 0.00 64.21 63.86 3kr5 n SER 498 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3kr5 s TYR 499 N -2.39 2.66 0.60 1.43 4.12 -1.26 -4.43 117.35 118.08 3kr5 s TYR 499 Ca -0.16 -0.85 -0.10 0.00 0.02 0.00 0.00 57.07 55.98 3kr5 s TYR 499 Cb 0.06 -1.75 -0.04 0.00 -1.52 0.00 0.00 41.96 38.71 3kr5 s TYR 499 CO 0.56 -0.31 0.99 0.00 0.02 0.00 0.00 175.55 176.81 3kr5 s ALA 500 N 0.29 3.14 -0.07 3.71 0.00 -0.44 -4.55 121.76 123.84 3kr5 s ALA 500 Ca -0.14 -0.17 -0.04 0.00 0.00 0.00 0.00 51.96 51.60 3kr5 s ALA 500 Cb -0.17 -3.00 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 3kr5 s ALA 500 CO 0.07 -0.66 0.13 0.20 0.00 0.00 0.00 175.76 175.50 3kr5 s GLY 501 N -4.18 2.11 -0.09 0.00 0.00 -0.85 -0.48 107.32 103.84 3kr5 s GLY 501 Ca 0.54 -0.72 0.02 0.00 0.00 0.00 0.00 44.72 44.56 3kr5 s GLY 501 CO 0.52 -0.52 -0.14 0.54 0.00 0.00 0.00 173.10 173.50 3kr5 s VAL 502 N -1.11 1.36 0.21 1.40 0.11 0.83 -0.35 120.40 122.85 3kr5 s VAL 502 Ca 0.19 -0.58 0.10 0.00 -2.93 0.00 0.00 61.98 58.76 3kr5 s VAL 502 Cb -0.12 -1.24 -0.05 0.00 -1.53 0.00 0.00 36.38 33.44 3kr5 s VAL 502 CO 0.09 0.41 -0.21 -0.36 -3.33 0.00 0.00 175.10 171.70 3kr5 s PHE 503 N 0.84 2.12 0.08 1.54 0.08 0.07 -0.84 117.98 121.86 3kr5 s PHE 503 Ca -0.10 -0.40 -0.26 0.00 0.12 0.00 0.00 56.93 56.29 3kr5 s PHE 503 Cb -0.15 -1.01 0.09 0.00 -0.57 0.00 0.00 43.02 41.38 3kr5 s PHE 503 CO 0.01 0.50 1.14 0.20 -0.10 0.00 0.00 175.22 176.97 3kr5 s GLY 504 N -2.93 -0.14 0.00 4.36 0.00 -1.26 0.14 107.32 107.48 3kr5 s GLY 504 Ca 0.22 0.10 0.13 0.00 0.00 0.00 0.00 44.72 45.17 3kr5 s GLY 504 CO 0.10 2.05 1.24 1.16 0.00 0.00 0.00 173.10 177.65 3kr5 n ASN 505 N -0.86 2.94 -3.61 1.64 0.23 -0.05 -4.76 115.26 110.79 3kr5 n ASN 505 Ca -0.04 -1.91 -0.14 0.00 -0.53 0.00 0.00 54.58 51.96 3kr5 n ASN 505 Cb 0.60 -0.23 -0.13 0.00 -2.08 0.00 0.00 39.78 37.95 3kr5 n ASN 505 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 3kr5 s ASN 506 N -1.03 0.58 0.17 0.53 3.84 -1.26 -4.85 114.94 112.92 3kr5 s ASN 506 Ca 0.26 0.39 -0.14 0.00 0.21 0.00 0.00 52.86 53.58 3kr5 s ASN 506 Cb 0.14 0.63 0.08 0.00 -0.55 0.00 0.00 41.25 41.55 3kr5 s ASN 506 CO 0.19 -0.26 1.81 -0.08 -2.79 0.00 0.00 177.10 175.97 3kr5 h GLU 507 N 8.29 0.55 -0.20 0.43 4.81 -1.96 -1.81 114.58 124.70 3kr5 h GLU 507 Ca -0.15 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.09 3kr5 h GLU 507 Cb 1.12 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 30.34 3kr5 h GLU 507 CO 0.17 0.37 -0.05 0.93 -0.73 0.00 0.00 179.01 179.70 3kr5 h GLU 508 N 0.57 0.00 -0.07 1.92 3.07 -1.99 0.63 114.58 118.71 3kr5 h GLU 508 Ca 0.19 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.05 3kr5 h GLU 508 Cb 0.02 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.92 3kr5 h GLU 508 CO -0.09 0.00 0.05 1.25 -1.40 0.00 0.00 179.01 178.82 3kr5 h LEU 509 N 0.00 0.08 -0.57 1.33 5.85 -1.92 -0.09 115.31 119.99 3kr5 h LEU 509 Ca 0.10 -0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.90 3kr5 h LEU 509 Cb 0.14 -0.02 -0.07 0.00 0.37 0.00 0.00 40.66 41.08 3kr5 h LEU 509 CO -0.20 0.06 0.18 0.40 -0.34 0.00 0.00 178.44 178.54 3kr5 h ILE 510 N 0.10 0.74 -0.72 4.05 2.04 -0.94 -0.64 117.51 122.13 3kr5 h ILE 510 Ca 0.03 -0.12 -0.04 0.00 1.00 0.00 0.00 64.86 65.73 3kr5 h ILE 510 Cb -0.01 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.41 3kr5 h ILE 510 CO -0.01 0.06 0.30 0.78 0.00 0.00 0.00 178.15 179.29 3kr5 h ASN 511 N 0.34 0.96 -0.27 1.72 2.35 -0.34 0.76 115.58 121.09 3kr5 h ASN 511 Ca 0.29 -0.13 0.03 0.00 -0.55 0.00 0.00 56.30 55.94 3kr5 h ASN 511 Cb 0.38 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.47 3kr5 h ASN 511 CO -0.32 0.84 0.10 0.11 -1.65 0.00 0.00 177.43 176.51 3kr5 h LYS 512 N 1.03 0.23 -0.48 0.81 1.57 -0.22 0.18 116.57 119.68 3kr5 h LYS 512 Ca 0.24 -0.01 0.05 0.00 -1.87 0.00 0.00 60.65 59.06 3kr5 h LYS 512 Cb 0.17 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.38 3kr5 h LYS 512 CO -0.02 0.15 0.20 0.82 -0.57 0.00 0.00 179.45 180.03 3kr5 h ILE 513 N 0.23 0.90 -0.83 1.86 1.08 -0.36 0.41 117.51 120.80 3kr5 h ILE 513 Ca 0.12 -0.14 0.01 0.00 -0.39 0.00 0.00 64.86 64.46 3kr5 h ILE 513 Cb 0.08 0.46 -0.04 0.00 -3.07 0.00 0.00 36.82 34.24 3kr5 h ILE 513 CO -0.11 0.07 0.55 -0.07 -0.69 0.00 0.00 178.15 177.90 3kr5 h LEU 514 N 0.40 0.96 -0.42 1.44 3.38 -0.40 0.42 115.31 121.09 3kr5 h LEU 514 Ca 0.22 -0.03 -0.16 0.00 0.09 0.00 0.00 57.88 58.00 3kr5 h LEU 514 Cb 0.18 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3kr5 h LEU 514 CO -0.19 0.70 -0.43 -0.61 0.09 0.00 0.00 178.44 178.00 3kr5 h GLN 515 N 1.13 0.86 -0.36 1.13 5.75 -0.31 -0.74 115.11 122.57 3kr5 h GLN 515 Ca 0.30 -0.47 -0.06 0.00 -0.15 0.00 0.00 58.65 58.28 3kr5 h GLN 515 Cb -0.12 0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.43 3kr5 h GLN 515 CO -0.07 1.11 -0.01 0.77 -2.65 0.00 0.00 178.83 177.98 3kr5 h SER 516 N 0.69 0.53 -0.02 -0.69 0.02 -0.18 -0.19 113.55 113.72 3kr5 h SER 516 Ca 0.05 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 3kr5 h SER 516 Cb 1.01 -0.14 -0.00 0.00 0.14 0.00 0.00 62.40 63.41 3kr5 h SER 516 CO 0.10 0.61 0.01 -1.28 -1.14 0.00 0.00 176.83 175.13 3kr5 h SER 517 N 0.53 0.02 -0.48 3.07 0.87 0.35 0.11 113.55 118.02 3kr5 h SER 517 Ca 0.11 -0.01 0.03 0.00 -1.23 0.00 0.00 61.79 60.69 3kr5 h SER 517 Cb 0.37 -0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.28 3kr5 h SER 517 CO 0.01 0.02 0.27 0.11 -0.53 0.00 0.00 176.83 176.71 3kr5 h LYS 518 N 0.01 0.51 0.00 2.24 1.57 -0.61 0.61 116.57 120.90 3kr5 h LYS 518 Ca 0.01 -0.03 -0.21 0.00 -1.87 0.00 0.00 60.65 58.54 3kr5 h LYS 518 Cb 0.01 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 3kr5 h LYS 518 CO -0.00 0.34 -1.04 1.79 -0.57 0.00 0.00 179.45 179.97 3kr5 h THR 519 N 0.53 1.61 0.00 -0.16 1.35 -0.90 -3.14 112.91 112.19 3kr5 h THR 519 Ca 0.20 -3.31 -0.02 0.00 -0.55 0.00 0.00 66.41 62.73 3kr5 h THR 519 Cb 0.07 2.79 -0.00 0.00 -1.73 0.00 0.00 68.15 69.28 3kr5 h THR 519 CO -0.12 0.92 -0.22 0.77 -0.25 0.00 0.00 175.52 176.61 3kr5 h SER 520 N 0.00 0.00 -2.80 5.36 4.64 -0.73 -3.47 113.55 116.56 3kr5 h SER 520 Ca -0.03 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.94 3kr5 h SER 520 Cb 1.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.86 3kr5 h SER 520 CO 0.12 0.08 -0.46 0.59 -0.87 0.00 0.00 176.83 176.29 3kr5 n ASN 521 N -3.06 -5.17 -4.27 4.97 3.02 0.19 -4.85 115.26 106.10 3kr5 n ASN 521 Ca 0.03 -0.07 -0.42 0.00 -0.03 0.00 0.00 54.58 54.09 3kr5 n ASN 521 Cb 0.57 -4.19 -0.09 0.00 -0.61 0.00 0.00 39.78 35.45 3kr5 n ASN 521 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3kr5 s GLU 522 N -5.02 2.66 0.12 3.52 2.02 -1.14 -4.96 118.70 115.90 3kr5 s GLU 522 Ca 0.06 -1.55 -0.31 0.00 0.02 0.00 0.00 54.97 53.19 3kr5 s GLU 522 Cb -0.03 -3.92 -0.09 0.00 0.10 0.00 0.00 34.13 30.20 3kr5 s GLU 522 CO 0.08 -1.06 1.49 -2.14 0.02 0.00 0.00 175.26 173.64 3kr5 s PRO 523 N 1.46 4.26 0.04 0.39 0.02 -1.26 -4.53 135.00 135.38 3kr5 s PRO 523 Ca 0.04 2.21 0.04 0.00 0.02 0.00 0.00 61.00 63.31 3kr5 s PRO 523 Cb -0.25 -3.26 -0.02 0.00 0.02 0.00 0.00 34.50 30.99 3kr5 s PRO 523 CO 0.02 -0.54 -0.12 0.08 -0.33 0.00 0.00 177.00 176.11 3kr5 s VAL 524 N 1.34 0.90 -0.02 3.83 1.01 -1.26 -1.33 120.40 124.88 3kr5 s VAL 524 Ca 0.68 -1.03 0.04 0.00 0.00 0.00 0.00 61.98 61.66 3kr5 s VAL 524 Cb -0.40 -0.86 -0.01 0.00 0.00 0.00 0.00 36.38 35.11 3kr5 s VAL 524 CO 0.31 -0.15 -0.13 0.86 0.00 0.00 0.00 175.10 175.98 3kr5 s TRP 525 N -1.04 1.26 -0.17 5.22 -0.11 0.37 -4.88 118.94 119.59 3kr5 s TRP 525 Ca -0.02 -0.28 -0.29 0.00 1.22 0.00 0.00 56.10 56.72 3kr5 s TRP 525 Cb -0.08 -0.84 -0.01 0.00 -1.50 0.00 0.00 33.47 31.04 3kr5 s TRP 525 CO 0.01 -0.07 1.16 -0.46 -4.62 0.00 0.00 176.95 172.98 3kr5 s TRP 526 N -0.14 3.09 0.08 5.86 -0.00 -1.26 -0.12 118.94 126.46 3kr5 s TRP 526 Ca 0.02 1.22 0.07 0.00 -0.00 0.00 0.00 56.10 57.41 3kr5 s TRP 526 Cb -0.07 -3.40 -0.04 0.00 -0.00 0.00 0.00 33.47 29.96 3kr5 s TRP 526 CO 0.00 -1.15 -0.12 -0.51 -0.00 0.00 0.00 176.95 175.17 3kr5 s LEU 527 N 3.18 2.94 0.40 5.86 1.43 -0.02 -4.90 118.68 127.57 3kr5 s LEU 527 Ca 0.51 -0.39 -0.23 0.00 -1.03 0.00 0.00 54.13 52.99 3kr5 s LEU 527 Cb -0.19 -1.74 -0.11 0.00 0.03 0.00 0.00 46.19 44.18 3kr5 s LEU 527 CO 0.13 0.20 0.95 -2.16 0.23 0.00 0.00 176.35 175.70 3kr5 s PRO 528 N -1.99 4.33 -0.53 1.29 0.04 -1.26 -4.32 135.00 132.56 3kr5 s PRO 528 Ca 0.19 1.20 -0.20 0.00 0.04 0.00 0.00 61.00 62.24 3kr5 s PRO 528 Cb -0.11 -2.39 0.07 0.00 0.04 0.00 0.00 34.50 32.11 3kr5 s PRO 528 CO 0.11 0.06 0.68 0.42 0.04 0.00 0.00 177.00 178.31 3kr5 s ILE 529 N -1.98 4.79 -0.54 0.56 1.01 -1.26 -4.80 121.20 118.99 3kr5 s ILE 529 Ca 0.58 -0.52 -0.24 0.00 0.00 0.00 0.00 60.65 60.47 3kr5 s ILE 529 Cb -0.13 -4.38 0.04 0.00 0.01 0.00 0.00 42.46 38.01 3kr5 s ILE 529 CO 0.17 -0.93 0.91 -0.63 0.00 0.00 0.00 174.94 174.46 3kr5 s ILE 530 N 2.82 4.44 0.48 2.92 1.01 -1.26 -4.91 121.20 126.71 3kr5 s ILE 530 Ca 0.16 0.26 0.28 0.00 0.00 0.00 0.00 60.65 61.35 3kr5 s ILE 530 Cb -0.19 -4.50 0.31 0.00 0.01 0.00 0.00 42.46 38.09 3kr5 s ILE 530 CO 0.11 -1.05 2.14 0.78 0.00 0.00 0.00 174.94 176.93 3kr5 h ASN 531 N 9.25 0.00 -1.11 3.58 2.35 -1.99 -1.57 115.58 126.10 3kr5 h ASN 531 Ca -0.26 0.00 0.30 0.00 -0.55 0.00 0.00 56.30 55.79 3kr5 h ASN 531 Cb 1.08 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 39.36 3kr5 h ASN 531 CO 1.07 0.08 0.74 -0.08 -1.65 0.00 0.00 177.43 177.58 3kr5 h GLU 532 N 0.00 0.24 0.00 0.81 4.57 -2.05 -1.01 114.58 117.15 3kr5 h GLU 532 Ca -0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 3kr5 h GLU 532 Cb 0.20 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 3kr5 h GLU 532 CO 0.01 0.16 0.00 1.88 -1.18 0.00 0.00 179.01 179.88 3kr5 h TYR 533 N 0.25 0.00 -0.85 0.92 0.99 -1.70 -3.34 116.97 113.24 3kr5 h TYR 533 Ca 0.61 0.00 0.22 0.00 2.00 0.00 0.00 58.73 61.55 3kr5 h TYR 533 Cb 1.82 0.00 -0.14 0.00 1.00 0.00 0.00 36.73 39.41 3kr5 h TYR 533 CO -0.00 0.00 0.15 -0.09 -0.00 0.00 0.00 178.16 178.22 3kr5 h ARG 534 N 0.00 0.16 -0.74 4.88 9.65 -1.32 0.36 114.38 127.37 3kr5 h ARG 534 Ca 0.00 -0.01 0.20 0.00 -1.10 0.00 0.00 59.98 59.07 3kr5 h ARG 534 Cb 0.90 -0.04 -0.03 0.00 -1.39 0.00 0.00 29.97 29.41 3kr5 h ARG 534 CO 0.00 0.11 0.52 0.00 2.80 0.00 0.00 179.97 183.40 3kr5 h ALA 535 N 1.77 2.59 0.00 2.80 0.00 -1.76 0.26 119.26 124.92 3kr5 h ALA 535 Ca 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.40 3kr5 h ALA 535 Cb 1.00 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.83 3kr5 h ALA 535 CO -0.68 -0.81 0.00 0.25 0.00 0.00 0.00 179.25 178.02 3kr5 n THR 536 N -4.35 0.20 0.85 0.00 -2.24 0.12 -1.19 114.28 107.67 3kr5 n THR 536 Ca 0.15 0.05 0.12 0.00 -2.27 0.00 0.00 64.05 62.10 3kr5 n THR 536 Cb 0.76 -0.69 0.24 0.00 -2.10 0.00 0.00 70.33 68.54 3kr5 n THR 536 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3kr5 n LEU 537 N -1.18 2.77 -4.56 3.22 4.77 0.08 -4.26 117.00 117.84 3kr5 n LEU 537 Ca 0.13 -1.07 -0.40 0.00 -0.03 0.00 0.00 56.01 54.64 3kr5 n LEU 537 Cb 0.14 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.09 3kr5 n LEU 537 CO 0.15 0.53 1.40 0.20 -1.33 0.00 0.00 177.39 178.35 3kr5 s ASN 538 N -1.74 5.75 0.43 -1.43 0.01 -0.33 0.78 114.94 118.41 3kr5 s ASN 538 Ca 0.34 0.20 -0.23 0.00 -0.71 0.00 0.00 52.86 52.47 3kr5 s ASN 538 Cb 0.21 -2.54 -0.09 0.00 0.41 0.00 0.00 41.25 39.24 3kr5 s ASN 538 CO 0.30 -2.02 1.04 -0.55 -1.51 0.00 0.00 177.10 174.36 3kr5 s SER 539 N 5.94 6.63 0.24 -1.22 0.15 -1.26 -4.82 113.70 119.35 3kr5 s SER 539 Ca 0.56 1.98 0.07 0.00 0.70 0.00 0.00 55.95 59.26 3kr5 s SER 539 Cb -0.12 -2.57 0.24 0.00 -1.71 0.00 0.00 66.02 61.86 3kr5 s SER 539 CO 0.21 -0.58 1.54 0.50 1.20 0.00 0.00 173.24 176.12 3kr5 h LYS 540 N 2.16 0.13 0.00 5.44 1.63 -1.96 -3.39 116.57 120.58 3kr5 h LYS 540 Ca -0.49 -0.10 -0.12 0.00 -0.85 0.00 0.00 60.65 59.09 3kr5 h LYS 540 Cb 1.21 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.84 3kr5 h LYS 540 CO 0.61 0.74 -1.46 0.66 -3.45 0.00 0.00 179.45 176.56 3kr5 n TYR 541 N -3.80 0.00 -2.53 1.91 4.01 -1.26 -5.04 117.16 110.45 3kr5 n TYR 541 Ca -0.02 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.49 3kr5 n TYR 541 Cb 0.65 -0.31 0.09 0.00 -0.31 0.00 0.00 39.34 39.47 3kr5 n TYR 541 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kr5 s ALA 542 N -2.16 3.63 0.28 -0.72 0.00 -1.26 -4.98 121.76 116.55 3kr5 s ALA 542 Ca -0.11 -1.54 0.01 0.00 0.00 0.00 0.00 51.96 50.32 3kr5 s ALA 542 Cb 0.03 -2.11 0.40 0.00 0.00 0.00 0.00 23.12 21.44 3kr5 s ALA 542 CO 0.19 -1.33 1.73 -0.44 0.00 0.00 0.00 175.76 175.91 3kr5 h ASP 543 N -0.45 0.56 -4.72 0.00 3.32 -1.53 -3.38 116.42 110.21 3kr5 h ASP 543 Ca -0.39 -0.17 -0.10 0.00 0.02 0.00 0.00 57.03 56.39 3kr5 h ASP 543 Cb 1.28 -0.15 -0.21 0.00 0.22 0.00 0.00 39.33 40.47 3kr5 h ASP 543 CO 0.45 0.75 -0.11 -0.51 -1.72 0.00 0.00 179.24 178.09 3kr5 s ILE 544 N -4.64 0.03 0.23 0.35 2.07 -0.74 -4.43 121.20 114.07 3kr5 s ILE 544 Ca -0.08 -0.23 -0.26 0.00 -1.41 0.00 0.00 60.65 58.68 3kr5 s ILE 544 Cb 0.14 -0.74 -0.09 0.00 0.13 0.00 0.00 42.46 41.91 3kr5 s ILE 544 CO 0.80 -0.12 0.86 0.20 -1.91 0.00 0.00 174.94 174.76 3kr5 s ASN 545 N -0.90 7.41 0.13 4.50 0.01 0.23 -0.69 114.94 125.64 3kr5 s ASN 545 Ca -0.10 1.75 -0.14 0.00 -0.71 0.00 0.00 52.86 53.67 3kr5 s ASN 545 Cb -0.03 -2.54 -0.01 0.00 0.41 0.00 0.00 41.25 39.07 3kr5 s ASN 545 CO 0.05 0.11 1.58 -0.61 -1.51 0.00 0.00 177.10 176.71 3kr5 h GLN 546 N 3.89 0.75 -6.18 -0.60 4.15 -1.44 -3.46 115.11 112.22 3kr5 h GLN 546 Ca -0.46 -0.24 -0.58 0.00 0.77 0.00 0.00 58.65 58.14 3kr5 h GLN 546 Cb 1.20 -0.07 -0.17 0.00 0.21 0.00 0.00 27.48 28.65 3kr5 h GLN 546 CO 0.66 0.83 -0.79 0.96 -1.93 0.00 0.00 178.83 178.56 3kr5 s ILE 547 N -4.99 2.11 0.58 2.39 -4.36 -1.26 -4.89 121.20 110.78 3kr5 s ILE 547 Ca -0.13 -2.08 -0.18 0.00 -0.26 0.00 0.00 60.65 58.01 3kr5 s ILE 547 Cb 0.10 -2.04 -0.04 0.00 1.25 0.00 0.00 42.46 41.74 3kr5 s ILE 547 CO 0.80 -0.29 1.12 -0.55 0.24 0.00 0.00 174.94 176.26 3kr5 s SER 548 N -2.89 5.50 -0.19 4.36 0.15 -1.26 -4.79 113.70 114.58 3kr5 s SER 548 Ca 0.21 2.12 -0.20 0.00 0.70 0.00 0.00 55.95 58.77 3kr5 s SER 548 Cb -0.06 -2.57 -0.21 0.00 -1.71 0.00 0.00 66.02 61.47 3kr5 s SER 548 CO 0.09 -1.37 0.29 0.77 1.20 0.00 0.00 173.24 174.23 3kr5 h SER 549 N 0.79 0.06 0.00 5.45 4.64 -2.01 -3.44 113.55 119.03 3kr5 h SER 549 Ca -0.49 -0.61 0.00 0.00 -0.47 0.00 0.00 61.79 60.22 3kr5 h SER 549 Cb 1.26 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3kr5 h SER 549 CO 0.56 1.50 -0.07 0.77 -0.87 0.00 0.00 176.83 178.71 3kr5 h SER 550 N -0.86 0.00 -2.46 4.97 4.64 -1.94 -3.47 113.55 114.43 3kr5 h SER 550 Ca -0.33 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.46 3kr5 h SER 550 Cb 1.38 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.48 3kr5 h SER 550 CO -0.15 0.36 1.18 -0.69 -0.87 0.00 0.00 176.83 176.66 3kr5 s VAL 551 N -1.46 3.23 -0.95 0.95 1.01 -1.26 -4.90 120.40 117.02 3kr5 s VAL 551 Ca -0.02 0.28 0.27 0.00 0.00 0.00 0.00 61.98 62.50 3kr5 s VAL 551 Cb 0.00 -3.18 0.12 0.00 0.00 0.00 0.00 36.38 33.32 3kr5 s VAL 551 CO 0.03 -0.02 1.63 0.29 0.00 0.00 0.00 175.10 177.02 3kr5 n LYS 552 N 7.39 0.05 -1.30 2.72 5.02 -1.26 -4.48 118.16 126.29 3kr5 n LYS 552 Ca 0.19 0.02 -0.40 0.00 -2.02 0.00 0.00 58.31 56.10 3kr5 n LYS 552 Cb 0.42 -1.54 -0.03 0.00 -0.02 0.00 0.00 35.03 33.86 3kr5 n LYS 552 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kr5 n ALA 553 N -1.55 4.44 0.22 7.82 0.00 -1.26 -4.73 120.51 125.44 3kr5 n ALA 553 Ca 0.06 -3.37 0.10 0.00 0.00 0.00 0.00 53.44 50.23 3kr5 n ALA 553 Cb 0.35 -3.52 0.42 0.00 0.00 0.00 0.00 19.45 16.70 3kr5 n ALA 553 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kr5 h SER 554 N 6.94 0.00 -0.46 0.00 4.64 -1.98 -0.14 113.55 122.55 3kr5 h SER 554 Ca 0.50 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.69 3kr5 h SER 554 Cb 0.58 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 3kr5 h SER 554 CO 1.87 0.23 -0.26 0.28 -0.87 0.00 0.00 176.83 178.09 3kr5 h SER 555 N 0.00 1.03 -0.14 4.97 0.02 -1.93 0.21 113.55 117.71 3kr5 h SER 555 Ca -0.00 -0.41 -0.08 0.00 -0.84 0.00 0.00 61.79 60.46 3kr5 h SER 555 Cb 0.81 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 3kr5 h SER 555 CO 0.03 1.21 -0.23 0.40 -1.14 0.00 0.00 176.83 177.11 3kr5 h ILE 556 N 0.84 1.37 -0.33 3.27 2.04 -1.59 -2.10 117.51 121.01 3kr5 h ILE 556 Ca 0.10 -1.47 0.04 0.00 1.00 0.00 0.00 64.86 64.53 3kr5 h ILE 556 Cb 0.84 2.00 -0.04 0.00 -0.74 0.00 0.00 36.82 38.88 3kr5 h ILE 556 CO 0.07 0.43 0.10 0.58 0.00 0.00 0.00 178.15 179.34 3kr5 h VAL 557 N -0.00 0.90 -0.97 1.67 2.07 -0.95 0.16 116.25 119.12 3kr5 h VAL 557 Ca 0.01 -0.08 0.06 0.00 0.82 0.00 0.00 66.70 67.51 3kr5 h VAL 557 Cb 0.80 0.64 -0.06 0.00 -1.52 0.00 0.00 31.29 31.15 3kr5 h VAL 557 CO 0.05 0.04 0.63 0.00 0.02 0.00 0.00 177.57 178.32 3kr5 h ALA 558 N 1.21 1.44 -0.28 1.67 0.00 -0.58 0.17 119.26 122.89 3kr5 h ALA 558 Ca 0.15 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 3kr5 h ALA 558 Cb 0.13 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3kr5 h ALA 558 CO -0.16 0.42 0.03 0.77 0.00 0.00 0.00 179.25 180.31 3kr5 h SER 559 N 1.13 0.46 -0.85 0.00 0.02 -0.58 0.10 113.55 113.84 3kr5 h SER 559 Ca 0.42 -0.28 0.12 0.00 -0.84 0.00 0.00 61.79 61.20 3kr5 h SER 559 Cb 0.17 -0.12 -0.08 0.00 0.14 0.00 0.00 62.40 62.50 3kr5 h SER 559 CO -0.16 0.63 0.47 -0.07 -1.14 0.00 0.00 176.83 176.56 3kr5 h LEU 560 N 0.28 0.64 0.16 5.07 3.38 -0.03 0.64 115.31 125.46 3kr5 h LEU 560 Ca 0.08 0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3kr5 h LEU 560 Cb 0.37 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3kr5 h LEU 560 CO 0.01 0.33 -0.08 0.15 0.09 0.00 0.00 178.44 178.94 3kr5 h PHE 561 N 0.74 -0.20 -0.94 1.13 3.04 -0.38 -2.89 116.94 117.45 3kr5 h PHE 561 Ca 0.43 -0.00 0.12 0.00 3.98 0.00 0.00 57.97 62.49 3kr5 h PHE 561 Cb 0.48 0.07 -0.08 0.00 2.56 0.00 0.00 35.95 38.98 3kr5 h PHE 561 CO -0.07 0.07 0.56 -0.07 -2.02 0.00 0.00 178.31 176.79 3kr5 h LEU 562 N -0.47 0.81 -1.72 0.59 3.38 -0.41 -2.27 115.31 115.21 3kr5 h LEU 562 Ca -0.02 0.06 0.10 0.00 0.09 0.00 0.00 57.88 58.11 3kr5 h LEU 562 Cb 0.37 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 3kr5 h LEU 562 CO 0.04 0.42 0.38 0.50 0.09 0.00 0.00 178.44 179.87 3kr5 h LYS 563 N 0.89 0.30 0.00 1.13 3.64 -0.67 0.39 116.57 122.25 3kr5 h LYS 563 Ca 0.47 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.83 3kr5 h LYS 563 Cb 0.49 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.24 3kr5 h LYS 563 CO -0.28 0.20 0.00 0.39 -2.27 0.00 0.00 179.45 177.49 3kr5 n GLU 564 N -4.46 0.06 -0.10 1.90 -0.58 -0.85 -2.23 120.64 114.38 3kr5 n GLU 564 Ca 0.09 0.51 0.06 0.00 -0.42 0.00 0.00 57.16 57.40 3kr5 n GLU 564 Cb 0.40 -1.69 0.11 0.00 -0.57 0.00 0.00 31.44 29.69 3kr5 n GLU 564 CO 0.00 0.00 0.00 1.19 -0.48 0.00 0.00 177.13 177.84 3kr5 n PHE 565 N -1.82 0.27 -4.05 -0.32 3.01 0.14 -4.79 117.46 109.89 3kr5 n PHE 565 Ca 0.00 -0.28 -0.32 0.00 1.01 0.00 0.00 57.45 57.86 3kr5 n PHE 565 Cb 0.05 -0.01 -0.15 0.00 -0.01 0.00 0.00 39.48 39.36 3kr5 n PHE 565 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3kr5 s VAL 566 N -0.98 2.25 0.01 -4.37 1.01 -0.95 -3.77 120.40 113.60 3kr5 s VAL 566 Ca 0.19 -1.65 -0.17 0.00 0.00 0.00 0.00 61.98 60.35 3kr5 s VAL 566 Cb 0.11 -2.34 -0.35 0.00 0.00 0.00 0.00 36.38 33.80 3kr5 s VAL 566 CO 0.15 -0.07 0.97 1.56 0.00 0.00 0.00 175.10 177.72 3kr5 h GLN 567 N 7.78 0.49 0.00 2.72 1.08 -1.87 -3.44 115.11 121.88 3kr5 h GLN 567 Ca -0.18 -0.84 -0.11 0.00 -1.45 0.00 0.00 58.65 56.06 3kr5 h GLN 567 Cb 1.04 0.31 -0.14 0.00 -0.05 0.00 0.00 27.48 28.64 3kr5 h GLN 567 CO 0.47 1.40 -0.36 -1.71 -0.95 0.00 0.00 178.83 177.68 3kr5 n ASN 568 N -3.81 -0.55 -4.15 1.46 5.15 -1.26 -5.10 115.26 107.00 3kr5 n ASN 568 Ca -0.16 -1.85 -0.22 0.00 -0.60 0.00 0.00 54.58 51.74 3kr5 n ASN 568 Cb 1.04 0.16 -0.14 0.00 -0.53 0.00 0.00 39.78 40.31 3kr5 n ASN 568 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3kr5 s THR 569 N 0.00 1.22 0.11 -0.44 2.01 -1.26 -5.09 115.64 112.19 3kr5 s THR 569 Ca 0.05 -0.86 -0.32 0.00 0.31 0.00 0.00 61.69 60.87 3kr5 s THR 569 Cb 0.05 -1.06 -0.12 0.00 0.01 0.00 0.00 72.50 71.39 3kr5 s THR 569 CO -0.02 0.19 1.78 0.00 -0.69 0.00 0.00 174.62 175.87 3kr5 n ALA 570 N 2.27 1.90 -3.22 7.40 0.00 -1.24 -4.89 120.51 122.73 3kr5 n ALA 570 Ca -0.16 0.34 -0.13 0.00 0.00 0.00 0.00 53.44 53.49 3kr5 n ALA 570 Cb 0.55 -2.52 -0.14 0.00 0.00 0.00 0.00 19.45 17.33 3kr5 n ALA 570 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3kr5 s TRP 571 N 2.39 -0.05 0.07 0.00 -0.00 -1.26 -1.19 118.94 118.91 3kr5 s TRP 571 Ca 0.82 0.18 0.05 0.00 -0.00 0.00 0.00 56.10 57.15 3kr5 s TRP 571 Cb -0.55 -0.05 -0.03 0.00 -0.00 0.00 0.00 33.47 32.83 3kr5 s TRP 571 CO 0.39 -0.06 -0.14 0.00 -0.00 0.00 0.00 176.95 177.14 3kr5 s ALA 572 N 0.42 1.21 -0.10 5.86 0.00 -0.39 -0.87 121.76 127.89 3kr5 s ALA 572 Ca -0.03 -1.02 -0.00 0.00 0.00 0.00 0.00 51.96 50.90 3kr5 s ALA 572 Cb -0.05 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.00 3kr5 s ALA 572 CO -0.01 0.17 -0.06 -1.58 0.00 0.00 0.00 175.76 174.28 3kr5 s HIS 573 N -1.29 1.32 -0.32 0.00 2.46 0.36 -1.10 115.29 116.72 3kr5 s HIS 573 Ca -0.01 -0.62 -0.07 0.00 0.47 0.00 0.00 55.06 54.82 3kr5 s HIS 573 Cb -0.10 -1.14 0.02 0.00 -0.13 0.00 0.00 32.58 31.23 3kr5 s HIS 573 CO 0.02 -0.47 0.11 0.42 -2.47 0.00 0.00 174.74 172.35 3kr5 s ILE 574 N 1.71 4.05 -0.49 0.89 1.01 0.51 -0.76 121.20 128.14 3kr5 s ILE 574 Ca 0.04 -0.78 -0.21 0.00 0.00 0.00 0.00 60.65 59.70 3kr5 s ILE 574 Cb -0.13 -3.15 0.04 0.00 0.01 0.00 0.00 42.46 39.23 3kr5 s ILE 574 CO -0.07 -0.01 0.70 -0.62 0.00 0.00 0.00 174.94 174.93 3kr5 s ASP 575 N 1.50 6.29 -0.25 3.58 -1.08 0.52 -1.20 116.67 126.03 3kr5 s ASP 575 Ca 0.02 -0.55 0.13 0.00 -0.52 0.00 0.00 52.55 51.63 3kr5 s ASP 575 Cb -0.18 -2.33 0.64 0.00 -1.46 0.00 0.00 42.92 39.59 3kr5 s ASP 575 CO 0.03 -0.91 1.60 2.30 0.52 0.00 0.00 175.17 178.72 3kr5 n ILE 576 N 5.84 2.61 -0.21 4.11 -5.35 0.07 -2.00 119.36 124.42 3kr5 n ILE 576 Ca -0.03 -1.85 -0.02 0.00 -0.27 0.00 0.00 62.75 60.59 3kr5 n ILE 576 Cb 0.47 -0.30 0.18 0.00 -1.74 0.00 0.00 39.64 38.25 3kr5 n ILE 576 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kr5 h ALA 577 N 2.32 1.28 0.00 -1.28 0.00 -1.83 -0.43 119.26 119.32 3kr5 h ALA 577 Ca 0.11 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3kr5 h ALA 577 Cb 1.84 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 3kr5 h ALA 577 CO 0.45 0.56 -0.45 0.78 0.00 0.00 0.00 179.25 180.59 3kr5 h GLY 578 N 1.05 0.00 0.00 0.00 0.00 -1.81 -3.38 103.07 98.93 3kr5 h GLY 578 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.57 3kr5 h GLY 578 CO -0.03 0.00 -1.46 1.55 0.00 0.00 0.00 176.54 176.60 3kr5 n VAL 579 N -3.19 0.00 -0.13 4.60 3.14 -1.00 -4.16 118.33 117.59 3kr5 n VAL 579 Ca 0.02 -0.27 -0.10 0.00 -2.96 0.00 0.00 64.34 61.03 3kr5 n VAL 579 Cb 0.70 0.29 -0.02 0.00 -1.06 0.00 0.00 33.84 33.76 3kr5 n VAL 579 CO 0.00 0.00 0.00 -1.28 -6.46 0.00 0.00 176.83 169.09 3kr5 h SER 580 N 0.00 0.60 -3.20 6.55 0.87 -1.27 -3.42 113.55 113.68 3kr5 h SER 580 Ca 0.00 -0.27 -0.61 0.00 -1.23 0.00 0.00 61.79 59.69 3kr5 h SER 580 Cb 0.52 -0.16 -0.11 0.00 -0.44 0.00 0.00 62.40 62.21 3kr5 h SER 580 CO 0.00 0.71 -0.45 0.86 -0.53 0.00 0.00 176.83 177.42 3kr5 s TRP 581 N -5.16 3.45 -0.79 2.24 -0.11 -1.26 -0.87 118.94 116.43 3kr5 s TRP 581 Ca -0.13 0.41 -0.21 0.00 1.22 0.00 0.00 56.10 57.39 3kr5 s TRP 581 Cb 0.10 -2.17 0.09 0.00 -1.50 0.00 0.00 33.47 29.98 3kr5 s TRP 581 CO 0.77 0.34 1.09 1.21 -4.62 0.00 0.00 176.95 175.73 3kr5 s ASN 582 N 0.20 6.36 0.18 5.86 3.84 0.38 -4.89 114.94 126.87 3kr5 s ASN 582 Ca 0.11 -1.38 -0.11 0.00 0.21 0.00 0.00 52.86 51.69 3kr5 s ASN 582 Cb -0.12 -2.43 0.10 0.00 -0.55 0.00 0.00 41.25 38.25 3kr5 s ASN 582 CO 0.00 -1.34 1.74 -0.26 -2.79 0.00 0.00 177.10 174.45 3kr5 h PHE 583 N 9.36 1.00 -0.18 0.43 -1.00 -1.96 -0.00 116.94 124.59 3kr5 h PHE 583 Ca -0.08 -0.08 -0.00 0.00 2.81 0.00 0.00 57.97 60.61 3kr5 h PHE 583 Cb 1.05 -0.30 -0.01 0.00 3.61 0.00 0.00 35.95 40.30 3kr5 h PHE 583 CO 1.08 0.79 0.10 -0.22 -1.61 0.00 0.00 178.31 178.45 3kr5 h LYS 584 N 0.93 0.25 -0.00 1.51 1.63 -1.95 -2.81 116.57 116.13 3kr5 h LYS 584 Ca 0.22 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.99 3kr5 h LYS 584 Cb 0.22 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.80 3kr5 h LYS 584 CO -0.02 0.24 -0.02 0.00 -3.45 0.00 0.00 179.45 176.20 3kr5 n ALA 585 N -2.18 2.56 -3.75 5.00 0.00 -1.14 -4.94 120.51 116.06 3kr5 n ALA 585 Ca -0.04 -0.17 -0.26 0.00 0.00 0.00 0.00 53.44 52.98 3kr5 n ALA 585 Cb 0.07 -1.47 0.05 0.00 0.00 0.00 0.00 19.45 18.09 3kr5 n ALA 585 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kr5 n ARG 586 N -1.19 -6.10 -3.62 0.00 1.74 -0.06 -5.00 116.66 102.44 3kr5 n ARG 586 Ca 0.16 0.68 -0.11 0.00 -0.77 0.00 0.00 57.85 57.81 3kr5 n ARG 586 Cb 0.23 -5.55 -0.05 0.00 -1.02 0.00 0.00 32.46 26.07 3kr5 n ARG 586 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 3kr5 s LYS 587 N -6.29 1.07 0.72 5.56 -2.85 -0.95 -5.03 119.74 111.97 3kr5 s LYS 587 Ca 0.44 -0.65 -0.13 0.00 -1.00 0.00 0.00 55.97 54.63 3kr5 s LYS 587 Cb -0.21 0.47 0.03 0.00 -2.06 0.00 0.00 37.83 36.07 3kr5 s LYS 587 CO 0.79 -0.42 1.11 -2.14 0.10 0.00 0.00 175.35 174.79 3kr5 s PRO 588 N -3.67 2.45 0.14 1.78 0.02 -1.26 -0.47 135.00 133.99 3kr5 s PRO 588 Ca 0.02 1.31 0.23 0.00 0.02 0.00 0.00 61.00 62.57 3kr5 s PRO 588 Cb 0.01 -1.91 -0.03 0.00 0.02 0.00 0.00 34.50 32.59 3kr5 s PRO 588 CO -0.11 -1.51 0.96 1.63 -0.33 0.00 0.00 177.00 177.64 3kr5 n LYS 589 N -3.01 0.56 -2.64 5.54 5.02 -0.05 -4.68 118.16 118.90 3kr5 n LYS 589 Ca 0.10 0.05 -0.16 0.00 -2.02 0.00 0.00 58.31 56.28 3kr5 n LYS 589 Cb 0.52 -1.74 0.02 0.00 -0.02 0.00 0.00 35.03 33.81 3kr5 n LYS 589 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kr5 n GLY 590 N 1.22 -0.21 3.75 0.72 0.00 -1.26 -4.88 105.19 104.54 3kr5 n GLY 590 Ca -0.00 -0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 3kr5 n GLY 590 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kr5 s PHE 591 N -2.92 2.90 0.00 1.61 5.36 -1.26 -3.34 117.98 120.33 3kr5 s PHE 591 Ca 0.15 0.99 0.00 0.00 -0.96 0.00 0.00 56.93 57.11 3kr5 s PHE 591 Cb -0.07 -3.90 0.00 0.00 -0.34 0.00 0.00 43.02 38.71 3kr5 s PHE 591 CO 0.18 -2.91 0.00 0.41 -1.46 0.00 0.00 175.22 171.44 3kr5 n GLY 592 N 1.94 2.85 0.16 13.12 0.00 -1.26 -4.65 105.19 117.34 3kr5 n GLY 592 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 3kr5 n GLY 592 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kr5 h VAL 593 N 0.00 0.79 -0.20 1.61 2.07 -1.75 0.17 116.25 118.93 3kr5 h VAL 593 Ca 0.00 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.34 3kr5 h VAL 593 Cb 0.00 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.63 3kr5 h VAL 593 CO 0.00 0.03 -0.01 0.03 0.02 0.00 0.00 177.57 177.64 3kr5 h ARG 594 N -0.40 0.37 -0.43 1.57 3.08 -1.89 -0.96 114.38 115.72 3kr5 h ARG 594 Ca -0.03 -0.12 0.08 0.00 0.07 0.00 0.00 59.98 59.97 3kr5 h ARG 594 Cb 0.30 -0.03 -0.09 0.00 0.08 0.00 0.00 29.97 30.23 3kr5 h ARG 594 CO 0.05 0.58 -0.39 1.25 -1.07 0.00 0.00 179.97 180.39 3kr5 h LEU 595 N 0.12 -1.30 -1.08 3.04 5.85 -1.80 0.38 115.31 120.52 3kr5 h LEU 595 Ca 0.06 0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.94 3kr5 h LEU 595 Cb 0.42 0.59 -0.02 0.00 0.37 0.00 0.00 40.66 42.01 3kr5 h LEU 595 CO 0.01 -0.35 0.12 -0.07 -0.34 0.00 0.00 178.44 177.82 3kr5 h LEU 596 N -0.29 0.72 -0.23 2.25 3.38 -0.57 -0.69 115.31 119.87 3kr5 h LEU 596 Ca 0.16 -0.12 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 3kr5 h LEU 596 Cb 0.57 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 3kr5 h LEU 596 CO -0.58 0.71 -0.14 0.74 0.09 0.00 0.00 178.44 179.26 3kr5 h THR 597 N 0.75 1.31 -0.47 0.22 2.02 -0.27 -0.06 112.91 116.40 3kr5 h THR 597 Ca 0.17 -1.24 0.03 0.00 0.77 0.00 0.00 66.41 66.13 3kr5 h THR 597 Cb 0.28 1.61 -0.04 0.00 -1.74 0.00 0.00 68.15 68.27 3kr5 h THR 597 CO -0.00 0.38 0.26 -0.33 0.37 0.00 0.00 175.52 176.21 3kr5 h GLU 598 N 0.22 0.51 -0.20 6.66 4.39 -0.14 0.30 114.58 126.32 3kr5 h GLU 598 Ca 0.05 -0.03 0.05 0.00 0.34 0.00 0.00 59.36 59.77 3kr5 h GLU 598 Cb 0.66 -0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 29.13 3kr5 h GLU 598 CO 0.04 0.34 -0.19 0.35 -1.16 0.00 0.00 179.01 178.39 3kr5 h PHE 599 N 0.53 -0.49 -0.19 4.33 3.57 -0.89 0.22 116.94 124.01 3kr5 h PHE 599 Ca 0.20 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.74 3kr5 h PHE 599 Cb 0.06 0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 3kr5 h PHE 599 CO -0.08 -0.27 0.08 0.28 -2.23 0.00 0.00 178.31 176.09 3kr5 h VAL 600 N -0.21 0.97 -0.32 1.41 2.07 -0.59 -2.85 116.25 116.73 3kr5 h VAL 600 Ca 0.12 -0.06 -0.13 0.00 0.82 0.00 0.00 66.70 67.45 3kr5 h VAL 600 Cb 0.39 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3kr5 h VAL 600 CO -0.32 0.03 -0.32 -0.07 0.02 0.00 0.00 177.57 176.91 3kr5 h LEU 601 N 0.18 0.73 -0.07 2.57 4.07 0.14 -3.10 115.31 119.82 3kr5 h LEU 601 Ca 0.08 -0.30 0.00 0.00 0.08 0.00 0.00 57.88 57.74 3kr5 h LEU 601 Cb 0.04 -0.20 0.00 0.00 1.08 0.00 0.00 40.66 41.57 3kr5 h LEU 601 CO -0.07 0.99 -0.28 0.59 -1.08 0.00 0.00 178.44 178.59 3kr5 n ASN 602 N -4.07 0.39 0.02 -0.43 3.02 0.72 -3.58 115.26 111.33 3kr5 n ASN 602 Ca -0.01 -0.13 -0.08 0.00 -0.03 0.00 0.00 54.58 54.33 3kr5 n ASN 602 Cb 0.48 -0.02 -0.13 0.00 -0.61 0.00 0.00 39.78 39.50 3kr5 n ASN 602 CO 0.00 0.00 0.00 -0.78 -2.62 0.00 0.00 177.26 173.86 3kr5 h ASP 603 N 0.17 0.00 -1.63 6.41 3.58 -1.43 -3.40 116.42 120.12 3kr5 h ASP 603 Ca 0.00 0.00 -0.48 0.00 0.42 0.00 0.00 57.03 56.97 3kr5 h ASP 603 Cb 0.48 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.54 3kr5 h ASP 603 CO 0.00 0.99 1.62 0.00 -2.88 0.00 0.00 179.24 178.98 3kr5 n ALA 604 N -2.44 0.91 1.97 -0.78 0.00 -1.20 -5.01 120.51 113.95 3kr5 n ALA 604 Ca -0.07 -0.84 0.16 0.00 0.00 0.00 0.00 53.44 52.68 3kr5 n ALA 604 Cb 0.99 -3.16 0.92 0.00 0.00 0.00 0.00 19.45 18.20 3kr5 n ALA 604 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78