#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 3.69 -0.04 1.43 2.12 -1.26 -4.87 118.70 119.77 3kr5 s GLU 87 Ca 0.00 0.62 -0.30 0.00 0.36 0.00 0.00 54.97 55.66 3kr5 s GLU 87 Cb 0.00 -3.93 -0.07 0.00 0.26 0.00 0.00 34.13 30.39 3kr5 s GLU 87 CO 0.00 -1.42 1.84 0.08 -0.54 0.00 0.00 175.26 175.22 3kr5 s VAL 88 N 4.65 3.29 0.42 3.70 1.01 -1.26 -4.97 120.40 127.23 3kr5 s VAL 88 Ca 0.50 0.35 -0.26 0.00 0.00 0.00 0.00 61.98 62.57 3kr5 s VAL 88 Cb -0.08 -3.24 -0.08 0.00 0.00 0.00 0.00 36.38 32.97 3kr5 s VAL 88 CO 0.32 -0.05 1.33 -2.16 0.00 0.00 0.00 175.10 174.54 3kr5 s PRO 89 N 4.48 3.87 -0.03 2.72 0.04 -1.26 -4.96 135.00 139.86 3kr5 s PRO 89 Ca 0.82 2.21 0.04 0.00 0.04 0.00 0.00 61.00 64.11 3kr5 s PRO 89 Cb -0.37 -2.71 -0.00 0.00 0.04 0.00 0.00 34.50 31.46 3kr5 s PRO 89 CO 0.35 -0.59 -0.14 -0.65 0.04 0.00 0.00 177.00 176.02 3kr5 s GLN 90 N -2.32 1.39 -0.06 4.56 -0.21 -1.26 -5.03 119.66 116.74 3kr5 s GLN 90 Ca 0.58 -0.47 -0.22 0.00 0.02 0.00 0.00 55.36 55.27 3kr5 s GLN 90 Cb -0.39 -1.25 -0.31 0.00 1.00 0.00 0.00 33.01 32.06 3kr5 s GLN 90 CO 0.50 0.19 0.87 0.28 -2.12 0.00 0.00 175.29 175.02 3kr5 h VAL 91 N 5.28 1.51 -4.10 1.09 2.07 -1.96 -3.45 116.25 116.69 3kr5 h VAL 91 Ca -0.33 -2.52 -0.57 0.00 0.82 0.00 0.00 66.70 64.10 3kr5 h VAL 91 Cb 1.17 3.19 -0.25 0.00 -1.52 0.00 0.00 31.29 33.89 3kr5 h VAL 91 CO 0.48 0.71 -0.84 0.68 0.02 0.00 0.00 177.57 178.63 3kr5 s VAL 92 N -2.42 1.67 -0.06 2.57 -7.23 -1.26 -5.01 120.40 108.66 3kr5 s VAL 92 Ca -0.14 -1.29 0.07 0.00 -1.81 0.00 0.00 61.98 58.81 3kr5 s VAL 92 Cb 0.01 -1.47 0.07 0.00 0.56 0.00 0.00 36.38 35.55 3kr5 s VAL 92 CO 0.82 0.12 1.06 -1.54 -0.31 0.00 0.00 175.10 175.25 3kr5 n SER 93 N 1.63 0.19 -0.58 4.85 3.41 -1.26 0.20 113.62 122.05 3kr5 n SER 93 Ca -0.18 0.42 0.11 0.00 -0.26 0.00 0.00 58.87 58.96 3kr5 n SER 93 Cb 0.53 -0.35 0.39 0.00 -0.26 0.00 0.00 64.21 64.52 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 -1.78 1.76 -4.75 1.04 4.77 -1.26 -4.84 117.00 111.94 3kr5 n LEU 94 Ca -0.00 -0.71 -0.41 0.00 -0.03 0.00 0.00 56.01 54.86 3kr5 n LEU 94 Cb 0.38 -0.09 -0.04 0.00 -2.33 0.00 0.00 43.42 41.33 3kr5 n LEU 94 CO 0.03 0.35 0.81 -1.81 -1.33 0.00 0.00 177.39 175.45 3kr5 s ASP 95 N -1.65 7.24 0.56 -1.43 1.01 0.52 -4.99 116.67 117.93 3kr5 s ASP 95 Ca 0.34 2.20 -0.14 0.00 0.71 0.00 0.00 52.55 55.66 3kr5 s ASP 95 Cb 0.18 -2.62 -0.06 0.00 1.01 0.00 0.00 42.92 41.44 3kr5 s ASP 95 CO 0.28 -0.21 1.00 -2.16 0.21 0.00 0.00 175.17 174.29 3kr5 s PRO 96 N -0.87 3.80 0.00 8.23 0.04 -1.26 -4.97 135.00 139.96 3kr5 s PRO 96 Ca 0.47 0.86 0.01 0.00 0.04 0.00 0.00 61.00 62.38 3kr5 s PRO 96 Cb -0.31 -2.12 0.01 0.00 0.04 0.00 0.00 34.50 32.12 3kr5 s PRO 96 CO 0.38 -0.39 0.59 0.25 0.04 0.00 0.00 177.00 177.87 3kr5 n THR 97 N -2.07 0.15 -3.84 1.26 -2.24 -1.26 -4.81 114.28 101.47 3kr5 n THR 97 Ca 0.06 -0.58 -0.09 0.00 -2.27 0.00 0.00 64.05 61.17 3kr5 n THR 97 Cb 0.54 0.93 -0.06 0.00 -2.10 0.00 0.00 70.33 69.64 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 -0.19 0.00 -0.29 3.42 1.04 -1.26 -4.67 113.70 111.76 3kr5 s SER 98 Ca 0.01 -0.65 -0.25 0.00 0.48 0.00 0.00 55.95 55.53 3kr5 s SER 98 Cb 0.00 0.41 0.00 0.00 0.10 0.00 0.00 66.02 66.54 3kr5 s SER 98 CO 0.01 -0.83 0.89 -0.63 0.98 0.00 0.00 173.24 173.66 3kr5 s ILE 99 N -3.88 4.72 0.21 -1.02 1.01 -1.26 -4.83 121.20 116.15 3kr5 s ILE 99 Ca 0.09 1.46 -0.32 0.00 0.00 0.00 0.00 60.65 61.88 3kr5 s ILE 99 Cb 0.03 -4.22 -0.13 0.00 0.01 0.00 0.00 42.46 38.15 3kr5 s ILE 99 CO -0.07 -0.27 1.61 -0.81 0.00 0.00 0.00 174.94 175.40 3kr5 n PRO 100 N 6.34 2.47 -4.43 2.79 -0.04 -1.26 -4.99 135.00 135.89 3kr5 n PRO 100 Ca 0.07 0.89 -0.19 0.00 -0.04 0.00 0.00 63.50 64.22 3kr5 n PRO 100 Cb 0.48 -2.67 -0.15 0.00 -0.04 0.00 0.00 33.50 31.12 3kr5 n PRO 100 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3kr5 s ILE 101 N 0.72 0.85 -0.31 0.52 1.01 -1.26 -4.96 121.20 117.78 3kr5 s ILE 101 Ca 0.73 -0.53 -0.06 0.00 0.00 0.00 0.00 60.65 60.80 3kr5 s ILE 101 Cb -0.58 -0.72 0.03 0.00 0.01 0.00 0.00 42.46 41.19 3kr5 s ILE 101 CO 0.39 0.19 0.06 -0.70 0.00 0.00 0.00 174.94 174.88 3kr5 s GLU 102 N -0.39 2.83 -0.18 2.79 2.12 -1.26 -4.94 118.70 119.67 3kr5 s GLU 102 Ca 0.03 -1.03 -0.20 0.00 0.36 0.00 0.00 54.97 54.14 3kr5 s GLU 102 Cb -0.05 -3.34 -0.17 0.00 0.26 0.00 0.00 34.13 30.83 3kr5 s GLU 102 CO -0.00 -0.53 0.22 1.88 -0.54 0.00 0.00 175.26 176.29 3kr5 h TYR 103 N 8.18 0.00 -1.62 5.30 -1.99 -2.02 -3.43 116.97 121.40 3kr5 h TYR 103 Ca -0.28 0.00 -0.68 0.00 2.00 0.00 0.00 58.73 59.78 3kr5 h TYR 103 Cb 1.10 0.00 -0.13 0.00 2.00 0.00 0.00 36.73 39.70 3kr5 h TYR 103 CO 0.60 1.13 1.49 -0.80 -0.00 0.00 0.00 178.16 180.58 3kr5 s ASN 104 N -6.54 6.76 0.61 3.88 0.02 -1.26 -4.95 114.94 113.46 3kr5 s ASN 104 Ca -0.24 -2.24 -0.10 0.00 -1.02 0.00 0.00 52.86 49.26 3kr5 s ASN 104 Cb 0.04 -2.49 -0.03 0.00 0.02 0.00 0.00 41.25 38.79 3kr5 s ASN 104 CO 0.52 -1.12 1.00 0.42 0.02 0.00 0.00 177.10 177.94 3kr5 s THR 105 N 3.39 4.48 0.45 1.60 -4.23 -1.26 -4.96 115.64 115.11 3kr5 s THR 105 Ca 0.44 0.66 0.14 0.00 -1.18 0.00 0.00 61.69 61.75 3kr5 s THR 105 Cb -0.01 -3.78 0.32 0.00 1.34 0.00 0.00 72.50 70.37 3kr5 s THR 105 CO -0.03 -0.98 2.02 -0.65 -0.54 0.00 0.00 174.62 174.45 3kr5 h PRO 106 N -0.29 0.33 -0.39 3.99 0.11 -1.99 -2.55 132.00 131.20 3kr5 h PRO 106 Ca -0.45 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 65.72 3kr5 h PRO 106 Cb 1.21 -0.07 -0.07 0.00 0.11 0.00 0.00 31.00 32.17 3kr5 h PRO 106 CO 0.62 0.22 -0.08 0.82 -0.21 0.00 0.00 178.00 179.37 3kr5 h ILE 107 N 0.33 0.63 -0.16 4.15 1.08 -1.93 -1.49 117.51 120.12 3kr5 h ILE 107 Ca 0.21 -0.01 0.05 0.00 -0.39 0.00 0.00 64.86 64.72 3kr5 h ILE 107 Cb 0.40 0.61 -0.01 0.00 -3.07 0.00 0.00 36.82 34.75 3kr5 h ILE 107 CO -0.05 0.00 0.19 0.45 -0.69 0.00 0.00 178.15 178.06 3kr5 h HIS 108 N 0.02 0.00 -0.05 1.37 3.86 -1.82 0.15 115.15 118.68 3kr5 h HIS 108 Ca 0.19 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 3kr5 h HIS 108 Cb 0.29 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.76 3kr5 h HIS 108 CO -0.33 0.00 0.00 -0.25 0.86 0.00 0.00 177.93 178.21 3kr5 n ASP 109 N -3.73 0.65 -4.64 2.45 8.00 -0.56 -4.83 116.55 113.89 3kr5 n ASP 109 Ca 0.01 -1.43 -0.42 0.00 0.71 0.00 0.00 54.79 53.66 3kr5 n ASP 109 Cb 0.31 -0.03 -0.03 0.00 -0.02 0.00 0.00 41.12 41.35 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 -1.94 4.71 -0.28 0.53 1.01 0.04 -4.81 121.20 120.46 3kr5 s ILE 110 Ca 0.34 1.63 -0.29 0.00 0.00 0.00 0.00 60.65 62.33 3kr5 s ILE 110 Cb 0.17 -4.24 0.00 0.00 0.01 0.00 0.00 42.46 38.40 3kr5 s ILE 110 CO 0.27 -0.24 1.21 -0.75 0.00 0.00 0.00 174.94 175.44 3kr5 s LYS 111 N 3.15 4.04 -0.17 2.79 2.47 0.75 -4.84 119.74 127.93 3kr5 s LYS 111 Ca 0.39 1.28 -0.09 0.00 -1.56 0.00 0.00 55.97 55.99 3kr5 s LYS 111 Cb -0.14 -3.80 -0.05 0.00 -1.46 0.00 0.00 37.83 32.38 3kr5 s LYS 111 CO 0.10 -0.95 0.12 0.08 0.16 0.00 0.00 175.35 174.86 3kr5 s VAL 112 N 3.92 5.34 -0.05 4.02 1.01 -1.26 -0.78 120.40 132.61 3kr5 s VAL 112 Ca 0.52 0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.69 3kr5 s VAL 112 Cb -0.16 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.82 3kr5 s VAL 112 CO 0.18 0.49 -0.14 -1.10 0.00 0.00 0.00 175.10 174.53 3kr5 s GLN 113 N -0.03 1.72 -0.08 2.72 -1.52 0.19 -4.97 119.66 117.69 3kr5 s GLN 113 Ca 0.09 -0.50 0.02 0.00 -1.95 0.00 0.00 55.36 53.02 3kr5 s GLN 113 Cb -0.11 -1.45 -0.02 0.00 -0.22 0.00 0.00 33.01 31.21 3kr5 s GLN 113 CO -0.00 0.13 -0.14 0.08 -0.25 0.00 0.00 175.29 175.11 3kr5 s VAL 114 N 0.34 3.02 0.19 1.09 1.01 -1.26 0.03 120.40 124.82 3kr5 s VAL 114 Ca -0.09 -0.71 0.09 0.00 0.00 0.00 0.00 61.98 61.27 3kr5 s VAL 114 Cb -0.13 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 3kr5 s VAL 114 CO 0.03 0.56 -0.19 -0.31 0.00 0.00 0.00 175.10 175.19 3kr5 s TYR 115 N -0.25 1.95 -0.31 5.22 1.51 0.98 -4.95 117.35 121.49 3kr5 s TYR 115 Ca 0.01 -0.44 -0.29 0.00 -1.01 0.00 0.00 57.07 55.34 3kr5 s TYR 115 Cb -0.13 -0.95 0.01 0.00 -0.11 0.00 0.00 41.96 40.78 3kr5 s TYR 115 CO 0.03 0.41 1.15 0.34 -1.11 0.00 0.00 175.55 176.36 3kr5 s ASP 116 N -2.82 6.85 0.16 2.29 -1.08 -1.25 -1.64 116.67 119.17 3kr5 s ASP 116 Ca 0.19 1.09 -0.06 0.00 -0.52 0.00 0.00 52.55 53.25 3kr5 s ASP 116 Cb -0.06 -2.54 0.25 0.00 -1.46 0.00 0.00 42.92 39.11 3kr5 s ASP 116 CO 0.08 -0.95 0.93 0.00 0.52 0.00 0.00 175.17 175.75 3kr5 n ILE 117 N 5.99 -0.26 0.51 4.11 0.13 0.27 -1.01 119.36 129.09 3kr5 n ILE 117 Ca 0.13 1.38 0.06 0.00 -1.10 0.00 0.00 62.75 63.21 3kr5 n ILE 117 Cb 0.47 -1.89 0.28 0.00 -0.84 0.00 0.00 39.64 37.66 3kr5 n ILE 117 CO 0.00 0.00 0.00 2.29 2.80 0.00 0.00 176.55 181.64 3kr5 n LYS 118 N -4.96 0.13 0.02 9.51 0.00 -1.26 0.03 118.16 121.63 3kr5 n LYS 118 Ca 0.09 0.21 0.12 0.00 -0.00 0.00 0.00 58.31 58.73 3kr5 n LYS 118 Cb 0.29 -1.50 0.24 0.00 -0.00 0.00 0.00 35.03 34.06 3kr5 n LYS 118 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3kr5 n GLY 119 N -0.30 -1.31 0.00 2.58 0.00 -0.18 -5.04 105.19 100.93 3kr5 n GLY 119 Ca 0.05 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.76 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 1.45 -1.31 3.61 -0.02 0.00 0.10 -4.97 105.19 104.04 3kr5 n GLY 120 Ca 0.05 -1.42 -0.39 0.00 0.00 0.00 0.00 46.02 44.26 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 1.62 7.30 -0.46 0.00 0.01 -1.26 -0.93 114.94 121.23 3kr5 s ASN 122 Ca 0.17 1.59 -0.04 0.00 -0.71 0.00 0.00 52.86 53.87 3kr5 s ASN 122 Cb -0.16 -2.56 0.12 0.00 0.41 0.00 0.00 41.25 39.06 3kr5 s ASN 122 CO 0.10 -0.34 0.27 -0.69 -1.51 0.00 0.00 177.10 174.93 3kr5 s VAL 123 N 1.46 3.52 -0.02 1.60 1.01 -1.26 -4.92 120.40 121.78 3kr5 s VAL 123 Ca 0.50 -2.17 0.02 0.00 0.00 0.00 0.00 61.98 60.33 3kr5 s VAL 123 Cb -0.20 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.78 3kr5 s VAL 123 CO 0.23 -0.74 0.01 -0.62 0.00 0.00 0.00 175.10 173.99 3kr5 n GLU 124 N 4.45 3.21 -3.96 2.72 1.02 -1.26 -4.92 120.64 121.89 3kr5 n GLU 124 Ca -0.01 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.13 3kr5 n GLU 124 Cb 0.41 -1.06 0.02 0.00 -0.02 0.00 0.00 31.44 30.78 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 -2.07 0.75 0.90 3.49 -1.05 -1.26 -4.91 118.70 114.55 3kr5 s GLU 125 Ca -0.01 -0.49 0.00 0.00 -0.15 0.00 0.00 54.97 54.32 3kr5 s GLU 125 Cb 0.01 0.21 0.00 0.00 -0.44 0.00 0.00 34.13 33.90 3kr5 s GLU 125 CO 0.10 -0.35 0.00 0.41 0.95 0.00 0.00 175.26 176.37 3kr5 n GLY 126 N -0.84 2.31 3.10 -3.83 0.00 -1.26 -4.62 105.19 100.05 3kr5 n GLY 126 Ca 0.02 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 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 1.92 -0.27 0.99 2.96 -0.32 -3.10 118.68 120.86 3kr5 s LEU 127 Ca 0.00 -0.29 -0.01 0.00 -0.22 0.00 0.00 54.13 53.61 3kr5 s LEU 127 Cb 0.00 -0.82 0.08 0.00 0.50 0.00 0.00 46.19 45.96 3kr5 s LEU 127 CO 0.00 0.14 0.06 -0.89 -1.32 0.00 0.00 176.35 174.34 3kr5 s THR 128 N -0.04 0.95 -0.13 3.68 2.01 -1.03 -0.43 115.64 120.64 3kr5 s THR 128 Ca -0.01 -1.20 -0.04 0.00 0.31 0.00 0.00 61.69 60.76 3kr5 s THR 128 Cb -0.09 -1.57 -0.03 0.00 0.01 0.00 0.00 72.50 70.82 3kr5 s THR 128 CO 0.01 -0.46 0.00 -0.63 -0.69 0.00 0.00 174.62 172.85 3kr5 s ILE 129 N 1.61 4.27 -0.14 1.82 -1.09 0.22 -1.52 121.20 126.38 3kr5 s ILE 129 Ca 0.05 -0.24 -0.12 0.00 -2.23 0.00 0.00 60.65 58.11 3kr5 s ILE 129 Cb -0.18 -2.86 -0.05 0.00 -1.58 0.00 0.00 42.46 37.80 3kr5 s ILE 129 CO -0.17 0.53 0.24 -0.36 -1.23 0.00 0.00 174.94 173.95 3kr5 s PHE 130 N -0.13 3.51 -0.26 3.97 0.40 0.03 -0.43 117.98 125.06 3kr5 s PHE 130 Ca 0.04 0.58 -0.17 0.00 -0.60 0.00 0.00 56.93 56.79 3kr5 s PHE 130 Cb -0.13 -2.21 -0.03 0.00 0.51 0.00 0.00 43.02 41.16 3kr5 s PHE 130 CO 0.02 0.40 0.45 -0.51 0.70 0.00 0.00 175.22 176.29 3kr5 s LEU 131 N -0.06 4.05 -0.01 -0.37 1.43 -0.17 -1.06 118.68 122.49 3kr5 s LEU 131 Ca 0.15 0.42 0.02 0.00 -1.03 0.00 0.00 54.13 53.69 3kr5 s LEU 131 Cb -0.13 -2.56 -0.00 0.00 0.03 0.00 0.00 46.19 43.53 3kr5 s LEU 131 CO 0.04 -0.24 -0.05 0.68 0.23 0.00 0.00 176.35 177.01 3kr5 s VAL 132 N 2.19 0.42 0.26 -1.59 -7.23 -1.03 -2.14 120.40 111.28 3kr5 s VAL 132 Ca 0.19 -0.21 0.08 0.00 -1.81 0.00 0.00 61.98 60.22 3kr5 s VAL 132 Cb -0.16 -0.36 -0.05 0.00 0.56 0.00 0.00 36.38 36.37 3kr5 s VAL 132 CO 0.09 0.12 -0.11 0.54 -0.31 0.00 0.00 175.10 175.44 3kr5 s ASN 133 N -0.05 2.90 -0.32 4.85 4.22 -1.26 -0.36 114.94 124.92 3kr5 s ASN 133 Ca 0.01 -1.12 0.03 0.00 -2.14 0.00 0.00 52.86 49.64 3kr5 s ASN 133 Cb -0.03 -0.19 0.10 0.00 1.28 0.00 0.00 41.25 42.40 3kr5 s ASN 133 CO -0.00 -0.23 0.05 0.21 -2.04 0.00 0.00 177.10 175.08 3kr5 s ASN 134 N -3.43 4.52 -0.23 3.54 3.84 -0.73 -4.82 114.94 117.64 3kr5 s ASN 134 Ca 0.28 -1.93 -0.29 0.00 0.21 0.00 0.00 52.86 51.13 3kr5 s ASN 134 Cb 0.01 -1.42 -0.04 0.00 -0.55 0.00 0.00 41.25 39.25 3kr5 s ASN 134 CO 0.11 -0.37 1.90 -2.84 -2.79 0.00 0.00 177.10 173.11 3kr5 s PRO 135 N 1.11 3.48 0.00 0.43 0.02 -1.25 -4.14 135.00 134.65 3kr5 s PRO 135 Ca 0.09 1.81 0.00 0.00 0.02 0.00 0.00 61.00 62.91 3kr5 s PRO 135 Cb -0.19 -4.21 0.00 0.00 0.02 0.00 0.00 34.50 30.13 3kr5 s PRO 135 CO -0.12 -1.69 0.00 0.41 -0.33 0.00 0.00 177.00 175.28 3kr5 n GLY 136 N 5.23 1.71 3.66 0.52 0.00 -1.04 -5.03 105.19 110.24 3kr5 n GLY 136 Ca 0.24 -0.77 -0.60 0.00 0.00 0.00 0.00 46.02 44.88 3kr5 n GLY 136 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3kr5 n LYS 137 N 0.00 0.68 -2.29 1.61 2.85 -1.26 -4.87 118.16 114.89 3kr5 n LYS 137 Ca 0.00 0.24 -0.43 0.00 -1.05 0.00 0.00 58.31 57.07 3kr5 n LYS 137 Cb 0.00 -1.89 -0.02 0.00 -0.65 0.00 0.00 35.03 32.46 3kr5 n LYS 137 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 3kr5 s GLU 138 N 3.86 3.79 0.00 -1.58 8.01 -1.26 -3.26 118.70 128.26 3kr5 s GLU 138 Ca 1.04 1.33 0.00 0.00 0.01 0.00 0.00 54.97 57.35 3kr5 s GLU 138 Cb -1.23 -3.97 0.00 0.00 -4.31 0.00 0.00 34.13 24.62 3kr5 s GLU 138 CO 0.70 -1.29 0.00 0.09 0.01 0.00 0.00 175.26 174.77 3kr5 n ASN 139 N 8.22 -1.32 -4.67 -0.19 4.13 -1.26 -5.06 115.26 115.11 3kr5 n ASN 139 Ca 0.17 0.00 -0.29 0.00 1.68 0.00 0.00 54.58 56.14 3kr5 n ASN 139 Cb 0.46 -0.39 0.18 0.00 -1.54 0.00 0.00 39.78 38.50 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 -2.77 1.56 0.95 7.41 0.00 -1.20 -4.40 107.32 108.87 3kr5 s GLY 140 Ca 0.00 -0.38 -0.12 0.00 0.00 0.00 0.00 44.72 44.22 3kr5 s GLY 140 CO 0.00 0.24 0.78 -1.55 0.00 0.00 0.00 173.10 172.57 3kr5 n PRO 141 N -4.22 -0.53 -3.37 2.90 -0.04 -1.26 -1.22 135.00 127.25 3kr5 n PRO 141 Ca 0.05 -0.10 -0.40 0.00 -0.04 0.00 0.00 63.50 63.01 3kr5 n PRO 141 Cb 0.57 -2.12 -0.09 0.00 -0.04 0.00 0.00 33.50 31.82 3kr5 n PRO 141 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3kr5 s VAL 142 N -2.51 5.15 -0.24 0.52 1.01 -0.87 -4.57 120.40 118.89 3kr5 s VAL 142 Ca 0.62 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.89 3kr5 s VAL 142 Cb -0.22 -3.80 0.03 0.00 0.00 0.00 0.00 36.38 32.40 3kr5 s VAL 142 CO 0.63 -0.02 -0.10 -0.54 0.00 0.00 0.00 175.10 175.06 3kr5 s LYS 143 N 2.10 2.72 -0.53 2.72 1.02 -1.26 -4.37 119.74 122.14 3kr5 s LYS 143 Ca 0.14 -1.04 -0.28 0.00 0.02 0.00 0.00 55.97 54.81 3kr5 s LYS 143 Cb -0.16 -2.87 0.03 0.00 -0.52 0.00 0.00 37.83 34.30 3kr5 s LYS 143 CO 0.11 -0.40 1.24 0.42 -0.92 0.00 0.00 175.35 175.80 3kr5 s ILE 144 N 1.26 4.02 -0.08 2.17 -1.09 -1.26 -4.93 121.20 121.29 3kr5 s ILE 144 Ca -0.01 0.96 -0.26 0.00 -2.23 0.00 0.00 60.65 59.11 3kr5 s ILE 144 Cb -0.17 -4.59 -0.22 0.00 -1.58 0.00 0.00 42.46 35.91 3kr5 s ILE 144 CO -0.06 -1.15 0.95 0.28 -1.23 0.00 0.00 174.94 173.73 3kr5 h SER 145 N 9.82 -0.02 -1.65 3.58 0.02 -1.97 -3.47 113.55 119.87 3kr5 h SER 145 Ca -0.25 -0.70 -0.68 0.00 -0.84 0.00 0.00 61.79 59.32 3kr5 h SER 145 Cb 1.07 0.01 0.06 0.00 0.14 0.00 0.00 62.40 63.68 3kr5 h SER 145 CO 1.16 0.71 0.33 -1.20 -1.14 0.00 0.00 176.83 176.69 3kr5 n SER 146 N -4.75 1.27 -4.73 3.07 7.64 -1.26 -4.86 113.62 110.00 3kr5 n SER 146 Ca -0.09 1.13 -0.42 0.00 1.01 0.00 0.00 58.87 60.51 3kr5 n SER 146 Cb 0.35 -1.16 -0.02 0.00 -1.01 0.00 0.00 64.21 62.37 3kr5 n SER 146 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 3kr5 s LYS 147 N 0.14 4.16 -0.17 1.43 0.00 -1.26 -4.93 119.74 119.11 3kr5 s LYS 147 Ca 0.82 2.50 -0.01 0.00 0.00 0.00 0.00 55.97 59.27 3kr5 s LYS 147 Cb -0.97 -3.08 -0.01 0.00 0.00 0.00 0.00 37.83 33.78 3kr5 s LYS 147 CO 0.50 -0.63 -0.10 0.08 0.00 0.00 0.00 175.35 175.20 3kr5 s VAL 148 N 0.54 3.04 -1.54 1.79 1.01 -1.26 -1.73 120.40 122.25 3kr5 s VAL 148 Ca 0.67 -0.63 -0.10 0.00 0.00 0.00 0.00 61.98 61.92 3kr5 s VAL 148 Cb -0.47 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 3kr5 s VAL 148 CO 0.40 0.49 2.72 0.59 0.00 0.00 0.00 175.10 179.29 3kr5 n ASN 149 N 4.20 7.81 -3.20 3.32 3.02 -0.10 -4.69 115.26 125.62 3kr5 n ASN 149 Ca -0.19 -2.73 0.04 0.00 -0.03 0.00 0.00 54.58 51.68 3kr5 n ASN 149 Cb 0.52 -1.54 -0.02 0.00 -0.61 0.00 0.00 39.78 38.13 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 1.97 -0.51 0.28 6.41 2.15 -1.26 -4.72 116.67 120.98 3kr5 s ASP 150 Ca 0.63 0.40 0.01 0.00 0.43 0.00 0.00 52.55 54.02 3kr5 s ASP 150 Cb 0.17 1.46 0.57 0.00 -0.30 0.00 0.00 42.92 44.83 3kr5 s ASP 150 CO -0.07 -0.10 1.80 0.07 -0.17 0.00 0.00 175.17 176.71 3kr5 h LYS 151 N 7.85 0.80 -0.05 4.34 2.10 -1.98 0.25 116.57 129.88 3kr5 h LYS 151 Ca -0.14 -0.05 -0.24 0.00 -2.00 0.00 0.00 60.65 58.22 3kr5 h LYS 151 Cb 1.16 -0.18 0.02 0.00 -0.90 0.00 0.00 32.23 32.33 3kr5 h LYS 151 CO -0.03 0.53 -0.91 1.96 -2.00 0.00 0.00 179.45 179.00 3kr5 h GLN 152 N 0.82 0.70 -0.31 0.07 1.08 -1.90 0.45 115.11 116.03 3kr5 h GLN 152 Ca 0.50 -0.69 -0.06 0.00 -1.45 0.00 0.00 58.65 56.95 3kr5 h GLN 152 Cb 0.62 0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 28.22 3kr5 h GLN 152 CO -0.32 1.28 -0.04 0.28 -0.95 0.00 0.00 178.83 179.08 3kr5 h VAL 153 N 0.38 1.27 -0.30 -0.54 2.07 -1.68 -1.59 116.25 115.87 3kr5 h VAL 153 Ca -0.10 -1.04 0.06 0.00 0.82 0.00 0.00 66.70 66.43 3kr5 h VAL 153 Cb 1.56 1.33 -0.05 0.00 -1.52 0.00 0.00 31.29 32.61 3kr5 h VAL 153 CO 0.18 0.34 -0.06 0.28 0.02 0.00 0.00 177.57 178.33 3kr5 h SER 154 N 0.35 -0.25 -0.55 0.57 0.02 -0.33 -0.00 113.55 113.36 3kr5 h SER 154 Ca 0.08 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3kr5 h SER 154 Cb 0.51 0.17 -0.03 0.00 0.14 0.00 0.00 62.40 63.19 3kr5 h SER 154 CO 0.02 -0.09 0.34 -0.08 -1.14 0.00 0.00 176.83 175.89 3kr5 h GLU 155 N 0.02 0.74 -0.45 3.45 4.81 0.08 -1.50 114.58 121.73 3kr5 h GLU 155 Ca 0.14 -0.06 0.09 0.00 -0.13 0.00 0.00 59.36 59.41 3kr5 h GLU 155 Cb 0.21 -0.16 -0.09 0.00 0.63 0.00 0.00 28.75 29.34 3kr5 h GLU 155 CO -0.29 0.52 -0.17 0.35 -0.73 0.00 0.00 179.01 178.69 3kr5 h PHE 156 N 0.74 -0.40 -0.01 0.92 3.57 -0.62 -2.00 116.94 119.14 3kr5 h PHE 156 Ca 0.20 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.74 3kr5 h PHE 156 Cb -0.04 0.24 0.00 0.00 2.79 0.00 0.00 35.95 38.94 3kr5 h PHE 156 CO -0.03 -0.25 -0.00 1.28 -2.23 0.00 0.00 178.31 177.08 3kr5 n LEU 157 N -5.37 0.96 -4.49 0.59 4.77 -0.08 -4.47 117.00 108.91 3kr5 n LEU 157 Ca 0.03 -0.32 -0.56 0.00 -0.03 0.00 0.00 56.01 55.14 3kr5 n LEU 157 Cb 0.28 -0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.30 3kr5 n LEU 157 CO 0.11 0.16 0.50 0.29 -1.33 0.00 0.00 177.39 177.12 3kr5 n LYS 158 N -0.26 0.15 -0.28 3.23 4.01 -0.62 -4.58 118.16 119.81 3kr5 n LYS 158 Ca 0.21 0.05 0.21 0.00 -0.51 0.00 0.00 58.31 58.27 3kr5 n LYS 158 Cb 0.27 -1.48 0.39 0.00 -0.51 0.00 0.00 35.03 33.70 3kr5 n LYS 158 CO 0.00 0.00 0.00 -0.25 -1.11 0.00 0.00 177.40 176.04 3kr5 n ASP 159 N 1.69 0.13 -0.19 4.39 10.43 -1.26 0.11 116.55 131.84 3kr5 n ASP 159 Ca 0.19 1.42 -0.01 0.00 2.57 0.00 0.00 54.79 58.96 3kr5 n ASP 159 Cb 0.13 -0.61 0.06 0.00 1.84 0.00 0.00 41.12 42.53 3kr5 n ASP 159 CO 0.00 0.00 0.00 -0.33 -1.07 0.00 0.00 177.20 175.80 3kr5 h GLU 160 N 0.00 0.01 0.00 -1.24 3.07 -1.94 -1.59 114.58 112.90 3kr5 h GLU 160 Ca 0.63 -0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 59.41 3kr5 h GLU 160 Cb 1.54 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.43 3kr5 h GLU 160 CO -0.71 0.01 -0.36 -0.91 -1.40 0.00 0.00 179.01 175.63 3kr5 h ASN 161 N 0.01 0.00 0.14 1.42 2.35 0.51 -3.17 115.58 116.85 3kr5 h ASN 161 Ca 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 3kr5 h ASN 161 Cb 0.43 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.80 3kr5 h ASN 161 CO -0.58 0.36 -0.70 0.23 -1.65 0.00 0.00 177.43 175.09 3kr5 n MET 162 N -3.61 0.32 0.23 0.81 2.81 -0.88 -4.41 117.12 112.39 3kr5 n MET 162 Ca -0.01 -0.24 0.09 0.00 -1.81 0.00 0.00 57.70 55.73 3kr5 n MET 162 Cb 0.48 -1.49 0.55 0.00 -0.71 0.00 0.00 33.22 32.05 3kr5 n MET 162 CO 0.00 0.00 0.00 1.05 1.51 0.00 0.00 175.97 178.53 3kr5 h GLU 163 N 0.60 0.00 0.00 0.03 -0.00 -1.28 -1.72 114.58 112.21 3kr5 h GLU 163 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 59.36 59.25 3kr5 h GLU 163 Cb 0.55 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.29 3kr5 h GLU 163 CO 0.00 0.22 -0.50 1.57 -0.00 0.00 0.00 179.01 180.30 3kr5 h LYS 164 N 0.00 0.00 -6.33 1.06 2.10 -1.80 -3.43 116.57 108.16 3kr5 h LYS 164 Ca -0.00 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 58.09 3kr5 h LYS 164 Cb 0.52 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 31.81 3kr5 h LYS 164 CO 0.03 0.50 0.01 -0.06 -2.00 0.00 0.00 179.45 177.93 3kr5 s PHE 165 N -3.79 3.78 0.57 0.07 0.40 -0.65 -5.03 117.98 113.34 3kr5 s PHE 165 Ca -0.02 1.32 0.07 0.00 -0.60 0.00 0.00 56.93 57.70 3kr5 s PHE 165 Cb 0.13 -2.54 0.07 0.00 0.51 0.00 0.00 43.02 41.19 3kr5 s PHE 165 CO 0.74 0.53 0.57 0.54 0.70 0.00 0.00 175.22 178.30 3kr5 s ASN 166 N -1.26 4.78 0.00 1.36 2.20 -1.26 -2.06 114.94 118.71 3kr5 s ASN 166 Ca 0.33 -1.13 0.08 0.00 -0.94 0.00 0.00 52.86 51.19 3kr5 s ASN 166 Cb -0.19 0.48 0.17 0.00 -2.00 0.00 0.00 41.25 39.70 3kr5 s ASN 166 CO 0.20 -1.26 1.03 1.33 -2.94 0.00 0.00 177.10 175.47 3kr5 n VAL 167 N -1.99 0.64 -1.15 3.54 0.24 -0.36 -4.71 118.33 114.53 3kr5 n VAL 167 Ca 0.05 -0.82 -0.52 0.00 -2.04 0.00 0.00 64.34 61.01 3kr5 n VAL 167 Cb 0.63 0.74 -0.10 0.00 -1.47 0.00 0.00 33.84 33.65 3kr5 n VAL 167 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3kr5 n LYS 168 N 0.33 0.00 -0.97 7.34 3.00 -1.26 -0.80 118.16 125.80 3kr5 n LYS 168 Ca 0.07 0.00 -0.39 0.00 -0.00 0.00 0.00 58.31 57.99 3kr5 n LYS 168 Cb 0.32 -1.26 -0.06 0.00 0.00 0.00 0.00 35.03 34.02 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 5.64 0.65 0.00 3.14 7.94 -1.25 -0.23 117.00 132.90 3kr5 n LEU 169 Ca 0.42 0.64 0.00 0.00 -1.11 0.00 0.00 56.01 55.95 3kr5 n LEU 169 Cb -0.04 -0.53 0.00 0.00 0.53 0.00 0.00 43.42 43.39 3kr5 n LEU 169 CO 0.75 -0.49 0.00 0.61 -1.11 0.00 0.00 177.39 177.15 3kr5 n GLY 170 N 2.87 2.58 3.71 -3.96 0.00 0.86 -4.88 105.19 106.37 3kr5 n GLY 170 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 3kr5 n GLY 170 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3kr5 n THR 171 N -1.80 2.25 -4.07 2.61 -1.04 0.68 -4.77 114.28 108.15 3kr5 n THR 171 Ca 0.00 -0.50 -0.07 0.00 -2.04 0.00 0.00 64.05 61.44 3kr5 n THR 171 Cb 0.00 -1.63 -0.10 0.00 -1.82 0.00 0.00 70.33 66.78 3kr5 n THR 171 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 3kr5 s SER 172 N -0.38 0.45 0.03 8.00 1.04 -1.26 0.07 113.70 121.64 3kr5 s SER 172 Ca 0.58 -0.94 -0.00 0.00 0.48 0.00 0.00 55.95 56.06 3kr5 s SER 172 Cb -0.53 0.20 -0.02 0.00 0.10 0.00 0.00 66.02 65.77 3kr5 s SER 172 CO 0.61 -0.58 -0.03 -0.54 0.98 0.00 0.00 173.24 173.68 3kr5 s LYS 173 N -3.72 0.39 -0.05 4.02 3.01 -1.03 -5.01 119.74 117.35 3kr5 s LYS 173 Ca 0.05 -0.75 0.06 0.00 -1.01 0.00 0.00 55.97 54.31 3kr5 s LYS 173 Cb 0.06 0.14 -0.01 0.00 -1.01 0.00 0.00 37.83 37.01 3kr5 s LYS 173 CO -0.09 -0.07 -0.22 -1.01 0.51 0.00 0.00 175.35 174.47 3kr5 s HIS 174 N -2.06 2.18 -0.00 3.18 3.76 -1.26 -2.20 115.29 118.90 3kr5 s HIS 174 Ca -0.10 -0.63 0.08 0.00 -0.15 0.00 0.00 55.06 54.25 3kr5 s HIS 174 Cb -0.06 -1.44 -0.02 0.00 1.11 0.00 0.00 32.58 32.17 3kr5 s HIS 174 CO -0.03 -0.19 -0.24 -0.06 -0.85 0.00 0.00 174.74 173.37 3kr5 s PHE 175 N -0.13 2.12 -0.11 1.40 2.99 0.17 -4.94 117.98 119.47 3kr5 s PHE 175 Ca -0.03 -0.40 0.02 0.00 0.00 0.00 0.00 56.93 56.53 3kr5 s PHE 175 Cb -0.13 -1.34 -0.01 0.00 0.00 0.00 0.00 43.02 41.55 3kr5 s PHE 175 CO 0.03 -0.00 -0.20 -0.47 -0.00 0.00 0.00 175.22 174.58 3kr5 s TYR 176 N -0.61 2.66 0.36 0.36 5.04 -1.26 -0.26 117.35 123.64 3kr5 s TYR 176 Ca 0.09 -0.91 -0.11 0.00 -2.44 0.00 0.00 57.07 53.70 3kr5 s TYR 176 Cb -0.09 -1.77 0.03 0.00 0.35 0.00 0.00 41.96 40.49 3kr5 s TYR 176 CO -0.00 -0.35 0.67 0.00 -1.34 0.00 0.00 175.55 174.53 3kr5 s MET 177 N 0.37 2.09 -0.17 4.97 0.23 -0.24 -5.00 119.30 121.55 3kr5 s MET 177 Ca -0.15 -1.52 -0.05 0.00 -1.03 0.00 0.00 55.69 52.94 3kr5 s MET 177 Cb -0.17 0.56 -0.03 0.00 -1.53 0.00 0.00 34.83 33.66 3kr5 s MET 177 CO 0.07 -0.94 -0.01 -0.06 -2.03 0.00 0.00 175.02 172.05 3kr5 s PHE 178 N -2.68 3.08 0.00 3.16 0.08 -1.26 0.16 117.98 120.51 3kr5 s PHE 178 Ca 0.20 -0.24 0.00 0.00 0.12 0.00 0.00 56.93 57.01 3kr5 s PHE 178 Cb -0.03 -2.01 0.00 0.00 -0.57 0.00 0.00 43.02 40.41 3kr5 s PHE 178 CO 0.14 -0.03 0.00 0.27 -0.10 0.00 0.00 175.22 175.50 3kr5 n ASN 179 N 3.66 0.00 -0.10 1.36 0.23 -1.03 -4.58 115.26 114.80 3kr5 n ASN 179 Ca -0.17 -0.38 -0.10 0.00 -0.53 0.00 0.00 54.58 53.40 3kr5 n ASN 179 Cb 0.52 0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 38.19 3kr5 n ASN 179 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3kr5 h ASP 180 N 0.00 0.44 -0.05 0.53 3.32 -1.92 -1.99 116.42 116.74 3kr5 h ASP 180 Ca 0.00 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 56.82 3kr5 h ASP 180 Cb 0.00 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 3kr5 h ASP 180 CO 0.00 0.54 0.02 -0.46 -1.72 0.00 0.00 179.24 177.62 3kr5 n ASN 181 N -4.69 2.47 -3.84 6.45 6.94 -1.26 -4.80 115.26 116.54 3kr5 n ASN 181 Ca -0.02 -2.07 -0.26 0.00 -0.02 0.00 0.00 54.58 52.20 3kr5 n ASN 181 Cb 0.17 -0.52 0.02 0.00 -2.36 0.00 0.00 39.78 37.10 3kr5 n ASN 181 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 3kr5 n LYS 182 N 0.29 -5.08 -3.93 -3.83 0.00 -0.75 -4.96 118.16 99.90 3kr5 n LYS 182 Ca 0.03 0.59 -0.35 0.00 -0.00 0.00 0.00 58.31 58.58 3kr5 n LYS 182 Cb 0.48 -5.29 -0.14 0.00 -0.00 0.00 0.00 35.03 30.08 3kr5 n LYS 182 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 3kr5 s ASN 183 N -3.82 4.31 -0.02 -5.58 0.01 -1.26 -4.85 114.94 103.72 3kr5 s ASN 183 Ca 0.35 -0.67 -0.34 0.00 -0.71 0.00 0.00 52.86 51.49 3kr5 s ASN 183 Cb -0.17 -1.70 -0.12 0.00 0.41 0.00 0.00 41.25 39.67 3kr5 s ASN 183 CO 0.83 -0.09 1.83 -1.54 -1.51 0.00 0.00 177.10 176.62 3kr5 n SER 184 N 4.73 3.44 -4.24 -1.22 3.41 -1.25 -2.47 113.62 116.02 3kr5 n SER 184 Ca -0.17 0.99 -0.24 0.00 -0.26 0.00 0.00 58.87 59.19 3kr5 n SER 184 Cb 0.49 -1.40 -0.14 0.00 -0.26 0.00 0.00 64.21 62.90 3kr5 n SER 184 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3kr5 s VAL 185 N 3.42 1.59 -0.14 -3.33 -7.23 0.42 -4.86 120.40 110.27 3kr5 s VAL 185 Ca 0.89 -1.25 -0.06 0.00 -1.81 0.00 0.00 61.98 59.75 3kr5 s VAL 185 Cb -0.67 -1.40 -0.04 0.00 0.56 0.00 0.00 36.38 34.83 3kr5 s VAL 185 CO 0.48 0.11 0.07 0.00 -0.31 0.00 0.00 175.10 175.44 3kr5 s ALA 186 N -0.90 3.51 0.29 1.32 0.00 -1.18 -1.08 121.76 123.72 3kr5 s ALA 186 Ca 0.06 -0.73 0.03 0.00 0.00 0.00 0.00 51.96 51.32 3kr5 s ALA 186 Cb -0.09 -1.82 -0.04 0.00 0.00 0.00 0.00 23.12 21.17 3kr5 s ALA 186 CO 0.02 0.41 0.15 0.08 0.00 0.00 0.00 175.76 176.43 3kr5 s VAL 187 N -0.35 0.30 0.00 0.00 1.01 0.65 -2.45 120.40 119.55 3kr5 s VAL 187 Ca 0.09 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.07 3kr5 s VAL 187 Cb -0.12 -2.53 0.00 0.00 0.00 0.00 0.00 36.38 33.73 3kr5 s VAL 187 CO 0.02 0.00 0.00 0.61 0.00 0.00 0.00 175.10 175.73 3kr5 n GLY 188 N -0.53 -0.50 3.09 4.51 0.00 -0.57 0.41 105.19 111.60 3kr5 n GLY 188 Ca 0.01 -1.12 -0.09 0.00 0.00 0.00 0.00 46.02 44.82 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 -2.00 0.27 -0.18 1.61 1.13 -0.93 -0.79 117.35 116.45 3kr5 s TYR 189 Ca 0.00 -0.61 -0.04 0.00 -1.41 0.00 0.00 57.07 55.01 3kr5 s TYR 189 Cb 0.00 -0.20 -0.02 0.00 -1.10 0.00 0.00 41.96 40.64 3kr5 s TYR 189 CO 0.00 -0.34 -0.04 0.08 -2.51 0.00 0.00 175.55 172.74 3kr5 s VAL 190 N -2.67 3.68 0.15 -3.49 1.01 -0.22 -2.46 120.40 116.40 3kr5 s VAL 190 Ca -0.05 -0.42 -0.33 0.00 0.00 0.00 0.00 61.98 61.19 3kr5 s VAL 190 Cb -0.01 -2.64 -0.12 0.00 0.00 0.00 0.00 36.38 33.61 3kr5 s VAL 190 CO -0.05 0.46 1.71 0.61 0.00 0.00 0.00 175.10 177.83 3kr5 n GLY 191 N 4.05 1.43 0.59 4.51 0.00 0.11 -2.46 105.19 113.42 3kr5 n GLY 191 Ca -0.18 0.67 0.06 0.00 0.00 0.00 0.00 46.02 46.57 3kr5 n GLY 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kr5 n GLY 193 N -0.04 -2.10 0.12 0.00 0.00 0.02 -4.68 105.19 98.51 3kr5 n GLY 193 Ca 0.13 -1.65 -0.16 0.00 0.00 0.00 0.00 46.02 44.34 3kr5 n GLY 193 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kr5 n SER 194 N 0.49 1.56 -4.63 1.61 3.41 -1.26 -1.78 113.62 113.02 3kr5 n SER 194 Ca 0.00 0.15 -0.43 0.00 -0.26 0.00 0.00 58.87 58.33 3kr5 n SER 194 Cb 0.00 -0.36 -0.02 0.00 -0.26 0.00 0.00 64.21 63.57 3kr5 n SER 194 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kr5 s VAL 195 N -2.55 3.91 -1.53 -3.33 1.01 -1.26 -2.50 120.40 114.14 3kr5 s VAL 195 Ca -0.20 1.01 0.10 0.00 0.00 0.00 0.00 61.98 62.89 3kr5 s VAL 195 Cb 0.07 -3.95 0.19 0.00 0.00 0.00 0.00 36.38 32.70 3kr5 s VAL 195 CO 0.75 -0.41 1.17 0.00 0.00 0.00 0.00 175.10 176.60 3kr5 n ALA 196 N 8.15 1.67 -3.99 5.51 0.00 -1.26 -4.12 120.51 126.46 3kr5 n ALA 196 Ca 0.17 -0.05 -0.31 0.00 0.00 0.00 0.00 53.44 53.25 3kr5 n ALA 196 Cb 0.46 -1.16 -0.15 0.00 0.00 0.00 0.00 19.45 18.60 3kr5 n ALA 196 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3kr5 s ASP 197 N -2.47 4.15 -0.00 0.00 3.84 -1.26 -4.44 116.67 116.49 3kr5 s ASP 197 Ca 0.10 -1.33 -0.30 0.00 -0.00 0.00 0.00 52.55 51.02 3kr5 s ASP 197 Cb 0.07 -1.35 -0.03 0.00 -1.38 0.00 0.00 42.92 40.22 3kr5 s ASP 197 CO 0.14 -0.23 1.03 -0.76 -0.00 0.00 0.00 175.17 175.35 3kr5 s LEU 198 N 1.25 4.35 0.64 2.11 1.43 -1.26 -5.04 118.68 122.17 3kr5 s LEU 198 Ca -0.06 1.71 -0.14 0.00 -1.03 0.00 0.00 54.13 54.61 3kr5 s LEU 198 Cb -0.19 -3.57 -0.01 0.00 0.03 0.00 0.00 46.19 42.44 3kr5 s LEU 198 CO -0.06 -0.32 1.06 -0.94 0.23 0.00 0.00 176.35 176.32 3kr5 s SER 199 N 1.04 5.53 0.31 2.29 1.04 -1.26 -4.77 113.70 117.88 3kr5 s SER 199 Ca 0.53 1.78 0.03 0.00 0.48 0.00 0.00 55.95 58.76 3kr5 s SER 199 Cb -0.22 -2.52 0.79 0.00 0.10 0.00 0.00 66.02 64.16 3kr5 s SER 199 CO 0.27 -1.34 1.58 -0.08 0.98 0.00 0.00 173.24 174.65 3kr5 h GLU 200 N -0.03 0.02 0.00 4.02 4.22 -1.96 0.18 114.58 121.03 3kr5 h GLU 200 Ca -0.46 -0.00 -0.10 0.00 0.08 0.00 0.00 59.36 58.88 3kr5 h GLU 200 Cb 1.22 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 3kr5 h GLU 200 CO 0.57 0.01 -0.47 0.00 -2.18 0.00 0.00 179.01 176.94 3kr5 h ALA 201 N 1.97 1.16 -0.03 2.92 0.00 -1.95 -1.29 119.26 122.03 3kr5 h ALA 201 Ca 0.61 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 3kr5 h ALA 201 Cb 1.29 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3kr5 h ALA 201 CO -0.89 0.59 -0.30 -0.44 0.00 0.00 0.00 179.25 178.21 3kr5 h ASP 202 N 0.00 0.32 -0.58 0.00 3.32 -1.44 -2.45 116.42 115.59 3kr5 h ASP 202 Ca -0.00 -0.70 0.06 0.00 0.02 0.00 0.00 57.03 56.40 3kr5 h ASP 202 Cb 0.87 -0.10 -0.03 0.00 0.22 0.00 0.00 39.33 40.29 3kr5 h ASP 202 CO 0.06 0.97 0.39 -0.03 -1.72 0.00 0.00 179.24 178.91 3kr5 h MET 203 N -0.31 0.56 0.53 3.56 4.05 -0.45 0.11 114.93 122.99 3kr5 h MET 203 Ca -0.03 -0.03 -0.03 0.00 -0.28 0.00 0.00 59.70 59.33 3kr5 h MET 203 Cb 0.99 -0.13 0.01 0.00 -0.80 0.00 0.00 31.60 31.67 3kr5 h MET 203 CO 0.06 0.37 -0.25 -0.22 0.23 0.00 0.00 176.91 177.10 3kr5 h LYS 204 N 0.58 -0.69 -1.05 0.39 3.64 -1.24 -1.16 116.57 117.04 3kr5 h LYS 204 Ca 0.25 0.05 0.28 0.00 -1.27 0.00 0.00 60.65 59.96 3kr5 h LYS 204 Cb 0.25 0.16 -0.08 0.00 -0.41 0.00 0.00 32.23 32.15 3kr5 h LYS 204 CO -0.07 -0.38 0.71 -0.09 -2.27 0.00 0.00 179.45 177.34 3kr5 h ARG 205 N -1.01 0.25 -0.15 1.90 2.43 -1.16 0.17 114.38 116.81 3kr5 h ARG 205 Ca -0.07 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.05 3kr5 h ARG 205 Cb 0.62 -0.06 -0.00 0.00 -0.42 0.00 0.00 29.97 30.11 3kr5 h ARG 205 CO 0.12 0.17 -0.04 0.28 -1.51 0.00 0.00 179.97 178.99 3kr5 h VAL 206 N 0.26 1.29 -0.48 0.20 2.07 -0.39 -2.62 116.25 116.58 3kr5 h VAL 206 Ca 0.56 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.07 3kr5 h VAL 206 Cb 1.69 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 33.08 3kr5 h VAL 206 CO -0.19 0.29 0.27 0.58 0.02 0.00 0.00 177.57 178.55 3kr5 h VAL 207 N -0.01 1.16 -0.89 2.57 2.07 0.28 -1.95 116.25 119.49 3kr5 h VAL 207 Ca 0.04 -0.40 0.15 0.00 0.82 0.00 0.00 66.70 67.31 3kr5 h VAL 207 Cb 0.47 0.55 -0.07 0.00 -1.52 0.00 0.00 31.29 30.72 3kr5 h VAL 207 CO 0.02 0.17 0.57 -0.07 0.02 0.00 0.00 177.57 178.28 3kr5 h LEU 208 N 0.64 0.61 -0.22 2.57 4.07 -0.74 0.52 115.31 122.76 3kr5 h LEU 208 Ca 0.17 0.04 -0.14 0.00 0.08 0.00 0.00 57.88 58.03 3kr5 h LEU 208 Cb 0.03 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 41.70 3kr5 h LEU 208 CO -0.03 0.30 -0.41 0.28 -1.08 0.00 0.00 178.44 177.50 3kr5 h SER 209 N 0.64 0.74 -0.06 -0.43 0.02 -0.98 -2.27 113.55 111.21 3kr5 h SER 209 Ca 0.45 -0.54 -0.03 0.00 -0.84 0.00 0.00 61.79 60.84 3kr5 h SER 209 Cb 0.80 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.12 3kr5 h SER 209 CO -0.20 1.14 -0.02 0.25 -1.14 0.00 0.00 176.83 176.86 3kr5 h LEU 210 N 0.37 0.21 -0.18 5.07 5.85 -0.57 -2.85 115.31 123.22 3kr5 h LEU 210 Ca 0.01 -0.03 -0.20 0.00 0.84 0.00 0.00 57.88 58.51 3kr5 h LEU 210 Cb 1.01 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 3kr5 h LEU 210 CO 0.09 0.27 -0.93 0.58 -0.34 0.00 0.00 178.44 178.12 3kr5 h VAL 211 N 0.23 1.61 0.00 1.05 2.07 0.34 -2.52 116.25 119.03 3kr5 h VAL 211 Ca 0.05 -3.02 0.00 0.00 0.82 0.00 0.00 66.70 64.55 3kr5 h VAL 211 Cb 0.20 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 3kr5 h VAL 211 CO 0.01 0.87 0.00 0.35 0.02 0.00 0.00 177.57 178.81 3kr5 n THR 212 N -3.50 0.86 0.16 2.57 -2.24 -0.89 -1.33 114.28 109.91 3kr5 n THR 212 Ca -0.01 0.21 0.11 0.00 -2.27 0.00 0.00 64.05 62.09 3kr5 n THR 212 Cb 0.86 -0.98 -0.01 0.00 -2.10 0.00 0.00 70.33 68.11 3kr5 n THR 212 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3kr5 n MET 213 N -1.68 0.57 0.02 -0.78 2.00 -0.97 -4.09 117.12 112.19 3kr5 n MET 213 Ca 0.04 0.07 0.03 0.00 0.00 0.00 0.00 57.70 57.84 3kr5 n MET 213 Cb 0.21 -1.77 -0.09 0.00 0.00 0.00 0.00 33.22 31.57 3kr5 n MET 213 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 3kr5 n LEU 214 N -2.54 0.59 -4.77 4.03 4.77 -0.49 -4.64 117.00 113.96 3kr5 n LEU 214 Ca -0.00 0.25 -0.38 0.00 -0.03 0.00 0.00 56.01 55.85 3kr5 n LEU 214 Cb 0.54 0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.66 3kr5 n LEU 214 CO 0.40 0.10 0.68 -1.00 -1.33 0.00 0.00 177.39 176.24 3kr5 s HIS 215 N -3.06 3.72 -1.40 -1.77 3.76 -0.44 -3.77 115.29 112.32 3kr5 s HIS 215 Ca -0.04 1.80 0.00 0.00 -0.15 0.00 0.00 55.06 56.66 3kr5 s HIS 215 Cb 0.09 -3.01 0.00 0.00 1.11 0.00 0.00 32.58 30.78 3kr5 s HIS 215 CO 0.83 0.09 0.00 -0.25 -0.85 0.00 0.00 174.74 174.56 3kr5 n ASP 216 N 0.83 -4.57 -3.43 1.40 10.43 -1.26 -4.91 116.55 115.04 3kr5 n ASP 216 Ca 0.01 0.28 -0.18 0.00 2.57 0.00 0.00 54.79 57.47 3kr5 n ASP 216 Cb 0.48 -3.34 -0.11 0.00 1.84 0.00 0.00 41.12 40.00 3kr5 n ASP 216 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 3kr5 s ASN 217 N -2.79 1.73 -0.62 -2.24 3.84 -1.25 -5.10 114.94 108.51 3kr5 s ASN 217 Ca 0.00 -0.67 -0.27 0.00 0.21 0.00 0.00 52.86 52.13 3kr5 s ASN 217 Cb 0.00 0.44 -0.01 0.00 -0.55 0.00 0.00 41.25 41.13 3kr5 s ASN 217 CO 0.00 -0.38 1.75 -0.54 -2.79 0.00 0.00 177.10 175.14 3kr5 s LYS 218 N 2.34 2.76 0.04 0.43 1.02 -1.26 -4.85 119.74 120.22 3kr5 s LYS 218 Ca 0.09 0.49 0.08 0.00 0.02 0.00 0.00 55.97 56.65 3kr5 s LYS 218 Cb -0.14 -4.34 -0.03 0.00 -0.52 0.00 0.00 37.83 32.80 3kr5 s LYS 218 CO -0.29 -2.59 -0.23 -0.51 -0.92 0.00 0.00 175.35 170.81 3kr5 s LEU 219 N 8.39 2.16 -0.03 3.17 1.43 -1.26 -5.03 118.68 127.51 3kr5 s LEU 219 Ca 0.62 -0.54 0.20 0.00 -1.03 0.00 0.00 54.13 53.38 3kr5 s LEU 219 Cb -0.12 -1.09 -0.31 0.00 0.03 0.00 0.00 46.19 44.69 3kr5 s LEU 219 CO 0.20 0.20 0.44 -1.54 0.23 0.00 0.00 176.35 175.88 3kr5 n SER 220 N 1.86 0.39 -3.74 2.29 3.41 -1.26 -3.51 113.62 113.06 3kr5 n SER 220 Ca -0.17 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.31 3kr5 n SER 220 Cb 0.53 1.91 -0.14 0.00 -0.26 0.00 0.00 64.21 66.25 3kr5 n SER 220 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3kr5 s LYS 221 N -3.39 0.12 0.16 4.33 2.20 -1.26 0.92 119.74 122.80 3kr5 s LYS 221 Ca -0.07 0.43 0.08 0.00 -0.36 0.00 0.00 55.97 56.05 3kr5 s LYS 221 Cb 0.13 -0.17 -0.04 0.00 -1.51 0.00 0.00 37.83 36.24 3kr5 s LYS 221 CO 0.84 -0.18 -0.09 -1.17 -0.36 0.00 0.00 175.35 174.39 3kr5 s LEU 222 N 1.28 3.00 -0.04 5.43 2.96 -0.88 -1.17 118.68 129.27 3kr5 s LEU 222 Ca -0.08 -0.51 -0.01 0.00 -0.22 0.00 0.00 54.13 53.30 3kr5 s LEU 222 Cb -0.11 -1.72 0.03 0.00 0.50 0.00 0.00 46.19 44.88 3kr5 s LEU 222 CO -0.07 0.12 0.02 -0.89 -1.32 0.00 0.00 176.35 174.22 3kr5 s THR 223 N -1.56 0.11 -0.25 3.68 2.01 0.43 -0.46 115.64 119.60 3kr5 s THR 223 Ca 0.24 0.23 -0.05 0.00 0.31 0.00 0.00 61.69 62.42 3kr5 s THR 223 Cb -0.09 -0.29 0.00 0.00 0.01 0.00 0.00 72.50 72.13 3kr5 s THR 223 CO 0.15 0.19 0.01 -0.69 -0.69 0.00 0.00 174.62 173.58 3kr5 s VAL 224 N 1.70 3.61 -0.25 3.82 1.01 0.19 -0.61 120.40 129.87 3kr5 s VAL 224 Ca -0.00 -0.60 -0.16 0.00 0.00 0.00 0.00 61.98 61.22 3kr5 s VAL 224 Cb -0.13 -2.75 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 3kr5 s VAL 224 CO -0.03 0.26 0.40 -0.69 0.00 0.00 0.00 175.10 175.04 3kr5 s VAL 225 N 1.48 5.16 -0.48 2.92 1.01 0.42 -0.61 120.40 130.31 3kr5 s VAL 225 Ca 0.04 0.66 -0.22 0.00 0.00 0.00 0.00 61.98 62.45 3kr5 s VAL 225 Cb -0.16 -3.73 0.03 0.00 0.00 0.00 0.00 36.38 32.53 3kr5 s VAL 225 CO -0.01 0.17 0.78 -0.36 0.00 0.00 0.00 175.10 175.68 3kr5 s PHE 226 N 1.91 2.96 -0.57 5.22 0.40 0.11 -1.00 117.98 127.01 3kr5 s PHE 226 Ca 0.17 -0.01 0.03 0.00 -0.60 0.00 0.00 56.93 56.52 3kr5 s PHE 226 Cb -0.15 -3.70 0.39 0.00 0.51 0.00 0.00 43.02 40.07 3kr5 s PHE 226 CO 0.09 -1.06 1.32 0.39 0.70 0.00 0.00 175.22 176.66 3kr5 n GLU 227 N 6.75 3.34 -4.08 0.44 1.02 -0.91 -4.61 120.64 122.59 3kr5 n GLU 227 Ca 0.00 -4.33 -0.09 0.00 -0.02 0.00 0.00 57.16 52.71 3kr5 n GLU 227 Cb 0.48 -2.26 -0.09 0.00 -0.02 0.00 0.00 31.44 29.54 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 -5.28 0.10 -0.30 -3.67 -4.36 -1.26 -4.23 121.20 102.20 3kr5 s ILE 228 Ca 0.49 -1.72 -0.25 0.00 -0.26 0.00 0.00 60.65 58.90 3kr5 s ILE 228 Cb 0.39 -1.93 0.00 0.00 1.25 0.00 0.00 42.46 42.17 3kr5 s ILE 228 CO -0.23 -0.45 0.87 0.20 0.24 0.00 0.00 174.94 175.57 3kr5 s ASN 229 N -3.01 6.76 0.00 4.36 0.01 -1.26 -4.99 114.94 116.81 3kr5 s ASN 229 Ca 0.20 0.82 0.04 0.00 -0.71 0.00 0.00 52.86 53.21 3kr5 s ASN 229 Cb 0.06 -2.45 -0.01 0.00 0.41 0.00 0.00 41.25 39.26 3kr5 s ASN 229 CO 0.00 -0.67 -0.13 0.68 -1.51 0.00 0.00 177.10 175.47 3kr5 s VAL 230 N 3.12 1.00 0.93 1.60 -7.23 -1.26 -4.68 120.40 113.89 3kr5 s VAL 230 Ca 0.36 -0.63 -0.14 0.00 -1.81 0.00 0.00 61.98 59.77 3kr5 s VAL 230 Cb -0.14 -0.85 0.15 0.00 0.56 0.00 0.00 36.38 36.10 3kr5 s VAL 230 CO 0.12 0.22 1.19 1.51 -0.31 0.00 0.00 175.10 177.83 3kr5 s ASP 231 N -0.47 3.37 0.23 4.85 3.84 -1.26 -4.84 116.67 122.38 3kr5 s ASP 231 Ca 0.04 0.73 -0.08 0.00 -0.00 0.00 0.00 52.55 53.24 3kr5 s ASP 231 Cb -0.05 -1.13 0.26 0.00 -1.38 0.00 0.00 42.92 40.62 3kr5 s ASP 231 CO -0.00 -2.61 1.86 0.11 -0.00 0.00 0.00 175.17 174.53 3kr5 h LYS 232 N -1.55 0.96 0.00 2.11 1.57 -1.99 -2.62 116.57 115.05 3kr5 h LYS 232 Ca -0.47 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.23 3kr5 h LYS 232 Cb 1.31 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 33.40 3kr5 h LYS 232 CO 0.54 0.64 -0.11 -0.91 -0.57 0.00 0.00 179.45 179.04 3kr5 h ASN 233 N 0.99 0.00 0.10 0.86 2.35 -1.93 -1.30 115.58 116.64 3kr5 h ASN 233 Ca 0.33 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.85 3kr5 h ASN 233 Cb 0.05 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.41 3kr5 h ASN 233 CO -0.13 0.11 -1.20 0.25 -1.65 0.00 0.00 177.43 174.81 3kr5 h LEU 234 N 0.00 0.32 -1.44 1.61 5.85 -1.82 -0.49 115.31 119.34 3kr5 h LEU 234 Ca -0.00 -0.84 0.05 0.00 0.84 0.00 0.00 57.88 57.92 3kr5 h LEU 234 Cb 0.25 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.14 3kr5 h LEU 234 CO 0.01 1.52 0.43 0.15 -0.34 0.00 0.00 178.44 180.21 3kr5 h PHE 235 N -0.44 0.69 -0.10 1.25 3.57 -1.46 0.91 116.94 121.36 3kr5 h PHE 235 Ca -0.26 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.25 3kr5 h PHE 235 Cb 1.64 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 40.14 3kr5 h PHE 235 CO 0.15 0.39 0.04 -0.09 -2.23 0.00 0.00 178.31 176.56 3kr5 h ARG 236 N 0.70 0.16 -0.87 1.11 2.43 -1.20 -2.19 114.38 114.53 3kr5 h ARG 236 Ca 0.27 -0.03 0.08 0.00 -0.81 0.00 0.00 59.98 59.48 3kr5 h ARG 236 Cb 0.18 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 29.63 3kr5 h ARG 236 CO -0.08 0.30 0.53 0.35 -1.51 0.00 0.00 179.97 179.55 3kr5 h PHE 237 N -0.01 0.97 -0.12 2.20 3.57 -0.31 0.34 116.94 123.59 3kr5 h PHE 237 Ca 0.03 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.60 3kr5 h PHE 237 Cb 0.20 -0.31 -0.05 0.00 2.79 0.00 0.00 35.95 38.59 3kr5 h PHE 237 CO -0.01 0.45 -0.15 0.35 -2.23 0.00 0.00 178.31 176.72 3kr5 h PHE 238 N 0.92 -0.39 -0.51 0.41 3.57 0.94 0.33 116.94 122.21 3kr5 h PHE 238 Ca 0.40 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.84 3kr5 h PHE 238 Cb 0.27 0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 3kr5 h PHE 238 CO -0.04 -0.22 0.01 -0.07 -2.23 0.00 0.00 178.31 175.76 3kr5 h LEU 239 N -0.20 0.88 -0.24 0.59 4.07 -0.72 0.23 115.31 119.92 3kr5 h LEU 239 Ca 0.09 -0.30 -0.01 0.00 0.08 0.00 0.00 57.88 57.74 3kr5 h LEU 239 Cb 0.33 -0.24 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 3kr5 h LEU 239 CO -0.24 0.97 0.12 -0.33 -1.08 0.00 0.00 178.44 177.88 3kr5 h GLU 240 N 0.77 0.35 -0.07 1.13 5.08 0.12 0.31 114.58 122.27 3kr5 h GLU 240 Ca 0.15 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 3kr5 h GLU 240 Cb 0.51 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 3kr5 h GLU 240 CO 0.02 0.34 -0.01 1.15 -1.00 0.00 0.00 179.01 179.51 3kr5 h THR 241 N 0.27 1.29 -0.40 1.13 2.02 -0.32 -0.02 112.91 116.88 3kr5 h THR 241 Ca 0.08 -0.91 0.08 0.00 0.77 0.00 0.00 66.41 66.44 3kr5 h THR 241 Cb 0.11 1.76 -0.09 0.00 -1.74 0.00 0.00 68.15 68.19 3kr5 h THR 241 CO -0.01 0.25 -0.29 0.25 0.37 0.00 0.00 175.52 176.09 3kr5 h LEU 242 N -0.20 -0.95 0.29 2.58 5.85 -0.35 0.70 115.31 123.22 3kr5 h LEU 242 Ca 0.02 0.18 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 3kr5 h LEU 242 Cb 0.41 0.46 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 3kr5 h LEU 242 CO 0.01 -0.30 -0.23 -0.26 -0.34 0.00 0.00 178.44 177.32 3kr5 h PHE 243 N -0.22 -0.60 -0.71 1.25 0.04 -0.27 -1.07 116.94 115.36 3kr5 h PHE 243 Ca 0.18 -0.00 -0.03 0.00 2.80 0.00 0.00 57.97 60.92 3kr5 h PHE 243 Cb 0.51 0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.85 3kr5 h PHE 243 CO -0.50 -0.34 0.33 -0.92 -0.60 0.00 0.00 178.31 176.27 3kr5 h TYR 244 N -0.52 1.04 -0.31 -0.55 3.20 -0.64 -1.70 116.97 117.50 3kr5 h TYR 244 Ca -0.02 -0.06 -0.15 0.00 3.14 0.00 0.00 58.73 61.65 3kr5 h TYR 244 Cb 0.46 -0.32 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 3kr5 h TYR 244 CO -0.13 0.78 -0.40 0.93 -1.64 0.00 0.00 178.16 177.70 3kr5 h GLU 245 N 1.00 0.74 -0.32 1.82 4.39 0.45 -3.26 114.58 119.39 3kr5 h GLU 245 Ca 0.24 -0.38 -0.01 0.00 0.34 0.00 0.00 59.36 59.55 3kr5 h GLU 245 Cb 0.14 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.79 3kr5 h GLU 245 CO -0.03 1.00 0.14 -0.92 -1.16 0.00 0.00 179.01 178.05 3kr5 h TYR 246 N 0.60 0.47 -2.58 4.33 3.20 -1.07 -3.44 116.97 118.49 3kr5 h TYR 246 Ca 0.05 -0.03 -0.60 0.00 3.14 0.00 0.00 58.73 61.29 3kr5 h TYR 246 Cb 0.94 -0.14 0.14 0.00 1.54 0.00 0.00 36.73 39.21 3kr5 h TYR 246 CO 0.05 0.43 -0.22 -0.12 -1.64 0.00 0.00 178.16 176.66 3kr5 n MET 247 N -4.74 0.79 -3.47 1.82 1.56 -0.65 -5.00 117.12 107.43 3kr5 n MET 247 Ca -0.01 0.29 -0.25 0.00 -0.27 0.00 0.00 57.70 57.46 3kr5 n MET 247 Cb 0.12 -1.68 -0.12 0.00 2.15 0.00 0.00 33.22 33.69 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 -1.41 -0.14 -0.28 1.12 2.01 -1.26 -5.00 115.64 110.67 3kr5 s THR 248 Ca 0.64 -0.93 -0.32 0.00 0.31 0.00 0.00 61.69 61.39 3kr5 s THR 248 Cb -0.59 -0.97 -0.09 0.00 0.01 0.00 0.00 72.50 70.86 3kr5 s THR 248 CO 0.57 -0.71 2.20 -0.67 -0.69 0.00 0.00 174.62 175.32 3kr5 n ASP 249 N 4.88 2.69 -0.03 3.53 -0.08 -1.26 -4.85 116.55 121.43 3kr5 n ASP 249 Ca 0.01 0.33 0.00 0.00 -1.51 0.00 0.00 54.79 53.63 3kr5 n ASP 249 Cb 0.42 -1.40 0.01 0.00 2.34 0.00 0.00 41.12 42.49 3kr5 n ASP 249 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 3kr5 n GLU 250 N 8.40 2.65 -0.31 -0.67 1.02 -1.26 -4.72 120.64 125.75 3kr5 n GLU 250 Ca 0.35 -1.43 0.22 0.00 -0.02 0.00 0.00 57.16 56.28 3kr5 n GLU 250 Cb 0.33 -1.01 0.51 0.00 -0.02 0.00 0.00 31.44 31.25 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 0.08 0.39 -0.29 3.49 3.08 -1.98 0.38 114.38 119.53 3kr5 h ARG 251 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 3kr5 h ARG 251 Cb 0.47 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.43 3kr5 h ARG 251 CO 0.00 0.26 0.00 1.19 -1.07 0.00 0.00 179.97 180.35 3kr5 n PHE 252 N -4.59 0.36 -2.91 3.04 3.01 -1.26 -4.92 117.46 110.18 3kr5 n PHE 252 Ca 0.24 -0.19 -0.32 0.00 1.01 0.00 0.00 57.45 58.19 3kr5 n PHE 252 Cb 0.84 -0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 40.25 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 -1.54 4.03 0.00 -1.08 -0.14 0.12 -4.97 119.74 116.16 3kr5 s LYS 253 Ca 0.34 0.81 0.00 0.00 -1.36 0.00 0.00 55.97 55.76 3kr5 s LYS 253 Cb 0.21 -2.31 0.00 0.00 -1.68 0.00 0.00 37.83 34.05 3kr5 s LYS 253 CO 0.30 0.02 0.00 0.45 -0.76 0.00 0.00 175.35 175.36 3kr5 n SER 254 N -0.73 0.00 0.06 2.83 2.88 -1.26 -4.87 113.62 112.53 3kr5 n SER 254 Ca 0.05 0.00 0.12 0.00 -1.33 0.00 0.00 58.87 57.71 3kr5 n SER 254 Cb 0.54 0.05 0.27 0.00 -0.75 0.00 0.00 64.21 64.31 3kr5 n SER 254 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3kr5 n THR 255 N -1.94 0.37 -2.01 2.46 -2.24 -1.26 -4.24 114.28 105.43 3kr5 n THR 255 Ca 0.00 -0.24 -0.23 0.00 -2.27 0.00 0.00 64.05 61.32 3kr5 n THR 255 Cb 0.00 -0.25 0.03 0.00 -2.10 0.00 0.00 70.33 68.01 3kr5 n THR 255 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3kr5 n ASP 256 N -2.07 4.78 -4.74 3.42 9.92 -1.26 -5.05 116.55 121.55 3kr5 n ASP 256 Ca 0.04 -3.74 -0.33 0.00 -0.53 0.00 0.00 54.79 50.23 3kr5 n ASP 256 Cb 0.42 -0.35 0.08 0.00 -0.64 0.00 0.00 41.12 40.63 3kr5 n ASP 256 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 3kr5 s LYS 257 N -3.59 2.35 -0.59 -1.24 1.02 -1.26 -4.96 119.74 111.47 3kr5 s LYS 257 Ca 0.50 1.54 -0.27 0.00 0.02 0.00 0.00 55.97 57.76 3kr5 s LYS 257 Cb 0.41 -1.88 0.01 0.00 -0.52 0.00 0.00 37.83 35.85 3kr5 s LYS 257 CO 0.03 -1.63 1.49 1.21 -0.92 0.00 0.00 175.35 175.54 3kr5 s ASN 258 N -2.42 5.96 0.55 2.83 3.84 -1.26 -4.85 114.94 119.59 3kr5 s ASN 258 Ca 0.70 0.22 0.36 0.00 0.21 0.00 0.00 52.86 54.35 3kr5 s ASN 258 Cb -0.24 -2.54 1.76 0.00 -0.55 0.00 0.00 41.25 39.68 3kr5 s ASN 258 CO 0.45 -1.86 2.09 1.62 -2.79 0.00 0.00 177.10 176.61 3kr5 h VAL 259 N 6.44 0.00 -0.09 -5.21 3.04 -1.99 -3.05 116.25 115.38 3kr5 h VAL 259 Ca -0.27 -0.22 -0.03 0.00 -1.01 0.00 0.00 66.70 65.17 3kr5 h VAL 259 Cb 1.10 1.14 -0.02 0.00 -2.01 0.00 0.00 31.29 31.50 3kr5 h VAL 259 CO 1.20 0.00 -0.22 -0.46 -1.01 0.00 0.00 177.57 177.07 3kr5 n ASN 260 N -2.92 2.25 -4.64 3.17 0.23 -1.26 -5.00 115.26 107.10 3kr5 n ASN 260 Ca -0.01 -3.55 -0.39 0.00 -0.53 0.00 0.00 54.58 50.10 3kr5 n ASN 260 Cb 0.17 -0.52 -0.08 0.00 -2.08 0.00 0.00 39.78 37.27 3kr5 n ASN 260 CO 0.00 0.00 0.00 -0.32 -0.93 0.00 0.00 177.26 176.01 3kr5 s MET 261 N -3.09 4.10 -0.00 -3.83 1.75 -1.16 -4.86 119.30 112.20 3kr5 s MET 261 Ca 0.38 0.20 -0.01 0.00 -1.25 0.00 0.00 55.69 55.01 3kr5 s MET 261 Cb 0.35 -3.60 -0.00 0.00 2.84 0.00 0.00 34.83 34.41 3kr5 s MET 261 CO -0.01 -0.20 0.02 -1.21 -0.65 0.00 0.00 175.02 172.96 3kr5 s GLU 262 N 1.82 0.07 0.19 4.11 8.01 -1.26 -5.09 118.70 126.55 3kr5 s GLU 262 Ca 0.19 -0.06 0.05 0.00 0.01 0.00 0.00 54.97 55.15 3kr5 s GLU 262 Cb -0.15 0.03 -0.04 0.00 -4.31 0.00 0.00 34.13 29.66 3kr5 s GLU 262 CO 0.09 -0.01 0.23 0.71 0.01 0.00 0.00 175.26 176.29 3kr5 s TYR 263 N -0.20 3.31 0.54 1.61 2.02 -1.26 -4.69 117.35 118.68 3kr5 s TYR 263 Ca -0.02 0.01 -0.20 0.00 -0.37 0.00 0.00 57.07 56.49 3kr5 s TYR 263 Cb -0.01 -1.55 -0.05 0.00 -0.40 0.00 0.00 41.96 39.94 3kr5 s TYR 263 CO -0.00 0.50 1.17 0.96 -1.57 0.00 0.00 175.55 176.62 3kr5 s ILE 264 N -1.85 2.92 -0.17 2.71 -4.36 -1.23 -4.68 121.20 114.54 3kr5 s ILE 264 Ca 0.33 0.60 0.17 0.00 -0.26 0.00 0.00 60.65 61.50 3kr5 s ILE 264 Cb -0.10 -3.26 -0.25 0.00 1.25 0.00 0.00 42.46 40.10 3kr5 s ILE 264 CO 0.26 -0.09 0.44 0.29 0.24 0.00 0.00 174.94 176.08 3kr5 n LYS 265 N -1.20 0.70 -3.98 0.37 4.76 0.26 -4.66 118.16 114.42 3kr5 n LYS 265 Ca 0.11 -0.13 -0.15 0.00 -2.87 0.00 0.00 58.31 55.28 3kr5 n LYS 265 Cb 0.50 -1.39 -0.15 0.00 -1.84 0.00 0.00 35.03 32.15 3kr5 n LYS 265 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3kr5 s HIS 266 N -3.08 0.24 -0.16 2.13 3.76 -0.84 -0.18 115.29 117.16 3kr5 s HIS 266 Ca -0.04 -0.02 0.01 0.00 -0.15 0.00 0.00 55.06 54.86 3kr5 s HIS 266 Cb 0.11 -0.21 0.02 0.00 1.11 0.00 0.00 32.58 33.61 3kr5 s HIS 266 CO 0.71 -0.04 -0.19 -1.17 -0.85 0.00 0.00 174.74 173.21 3kr5 s LEU 267 N 0.27 1.99 -0.12 0.89 2.96 0.04 -2.06 118.68 122.65 3kr5 s LEU 267 Ca -0.02 -0.59 -0.02 0.00 -0.22 0.00 0.00 54.13 53.28 3kr5 s LEU 267 Cb -0.05 -1.38 -0.03 0.00 0.50 0.00 0.00 46.19 45.24 3kr5 s LEU 267 CO -0.01 0.00 -0.04 -0.83 -1.32 0.00 0.00 176.35 174.16 3kr5 s GLY 268 N 1.23 1.73 -0.12 7.98 0.00 0.39 -0.63 107.32 117.89 3kr5 s GLY 268 Ca 0.02 -0.84 0.01 0.00 0.00 0.00 0.00 44.72 43.91 3kr5 s GLY 268 CO -0.10 -0.32 -0.13 0.14 0.00 0.00 0.00 173.10 172.68 3kr5 s VAL 269 N -0.18 1.44 -0.16 1.40 1.01 0.10 0.57 120.40 124.58 3kr5 s VAL 269 Ca 0.03 -0.58 -0.08 0.00 0.00 0.00 0.00 61.98 61.36 3kr5 s VAL 269 Cb -0.13 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 3kr5 s VAL 269 CO 0.02 0.43 0.11 -0.31 0.00 0.00 0.00 175.10 175.36 3kr5 s TYR 270 N 1.29 3.43 0.16 5.22 1.51 0.22 -0.01 117.35 129.16 3kr5 s TYR 270 Ca -0.00 0.34 -0.21 0.00 -1.01 0.00 0.00 57.07 56.19 3kr5 s TYR 270 Cb -0.14 -2.03 0.06 0.00 -0.11 0.00 0.00 41.96 39.74 3kr5 s TYR 270 CO -0.06 0.45 0.55 -1.50 -1.11 0.00 0.00 175.55 173.88 3kr5 s ILE 271 N -0.28 0.02 0.34 2.71 2.07 -0.65 0.05 121.20 125.45 3kr5 s ILE 271 Ca 0.10 -0.21 -0.26 0.00 -1.41 0.00 0.00 60.65 58.87 3kr5 s ILE 271 Cb -0.12 -1.10 -0.09 0.00 0.13 0.00 0.00 42.46 41.28 3kr5 s ILE 271 CO 0.01 -0.09 1.03 0.21 -1.91 0.00 0.00 174.94 174.20 3kr5 s ASN 272 N -2.77 7.09 -0.40 4.50 2.47 -1.26 0.95 114.94 125.52 3kr5 s ASN 272 Ca 0.02 2.06 0.00 0.00 0.42 0.00 0.00 52.86 55.36 3kr5 s ASN 272 Cb -0.00 -2.60 0.00 0.00 -1.45 0.00 0.00 41.25 37.20 3kr5 s ASN 272 CO -0.12 -0.25 0.00 0.59 -3.72 0.00 0.00 177.10 173.60 3kr5 n ASN 273 N 0.54 -3.86 0.00 -4.21 3.02 -1.26 -4.83 115.26 104.66 3kr5 n ASN 273 Ca 0.02 0.09 0.00 0.00 -0.03 0.00 0.00 54.58 54.66 3kr5 n ASN 273 Cb 0.48 -1.69 0.00 0.00 -0.61 0.00 0.00 39.78 37.96 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 1.07 0.00 -0.25 5.41 0.00 -1.25 0.26 120.51 125.75 3kr5 n ALA 274 Ca -0.04 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.45 3kr5 n ALA 274 Cb 0.19 0.00 0.17 0.00 0.00 0.00 0.00 19.45 19.81 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 -0.12 -0.46 0.00 3.32 -1.93 0.11 116.42 117.34 3kr5 h ASP 275 Ca 0.00 0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.20 3kr5 h ASP 275 Cb 0.00 0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 3kr5 h ASP 275 CO 0.00 -0.09 0.25 0.71 -1.72 0.00 0.00 179.24 178.39 3kr5 h THR 276 N 0.20 1.16 0.00 0.35 1.35 -0.56 -2.64 112.91 112.77 3kr5 h THR 276 Ca 0.41 -0.42 -0.02 0.00 -0.55 0.00 0.00 66.41 65.83 3kr5 h THR 276 Cb 0.71 0.60 -0.00 0.00 -1.73 0.00 0.00 68.15 67.73 3kr5 h THR 276 CO -0.56 0.17 -0.08 1.88 -0.25 0.00 0.00 175.52 176.68 3kr5 h TYR 277 N 0.60 0.00 -0.71 4.73 0.05 -1.22 -3.27 116.97 117.15 3kr5 h TYR 277 Ca 0.16 0.00 0.05 0.00 0.05 0.00 0.00 58.73 58.99 3kr5 h TYR 277 Cb 0.05 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.75 3kr5 h TYR 277 CO -0.02 0.08 0.46 0.87 -1.05 0.00 0.00 178.16 178.51 3kr5 h LYS 278 N 0.00 0.76 0.00 4.88 1.57 -0.65 -0.70 116.57 122.43 3kr5 h LYS 278 Ca -0.00 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 3kr5 h LYS 278 Cb 0.67 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.81 3kr5 h LYS 278 CO 0.01 0.51 -0.09 0.93 -0.57 0.00 0.00 179.45 180.23 3kr5 h GLU 279 N 0.79 0.00 0.00 3.15 4.39 -1.68 -2.49 114.58 118.73 3kr5 h GLU 279 Ca 0.29 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.99 3kr5 h GLU 279 Cb 0.17 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.82 3kr5 h GLU 279 CO -0.09 0.09 0.00 0.93 -1.16 0.00 0.00 179.01 178.78 3kr5 h GLU 280 N 0.00 0.00 0.85 2.33 4.39 -1.34 -3.33 114.58 117.48 3kr5 h GLU 280 Ca -0.00 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.66 3kr5 h GLU 280 Cb 0.36 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.02 3kr5 h GLU 280 CO 0.01 0.00 -0.41 0.28 -1.16 0.00 0.00 179.01 177.73 3kr5 h VAL 281 N 0.00 0.03 0.00 3.13 2.07 -1.53 0.23 116.25 120.18 3kr5 h VAL 281 Ca 0.00 -0.15 -0.08 0.00 0.82 0.00 0.00 66.70 67.29 3kr5 h VAL 281 Cb 0.66 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 30.46 3kr5 h VAL 281 CO 0.00 0.00 -0.39 -0.33 0.02 0.00 0.00 177.57 176.88 3kr5 h GLU 282 N -1.28 0.00 -0.29 1.57 4.39 -1.76 -1.42 114.58 115.78 3kr5 h GLU 282 Ca -0.12 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.58 3kr5 h GLU 282 Cb 0.88 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.52 3kr5 h GLU 282 CO 0.19 0.39 0.17 -0.22 -1.16 0.00 0.00 179.01 178.38 3kr5 h LYS 283 N 0.00 0.40 -0.81 2.33 3.64 -1.63 -1.28 116.57 119.21 3kr5 h LYS 283 Ca -0.00 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.40 3kr5 h LYS 283 Cb 0.76 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 32.44 3kr5 h LYS 283 CO 0.05 0.32 0.49 0.00 -2.27 0.00 0.00 179.45 178.03 3kr5 h ALA 284 N 1.06 1.11 -0.46 5.00 0.00 0.21 0.15 119.26 126.32 3kr5 h ALA 284 Ca 0.10 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 3kr5 h ALA 284 Cb 0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3kr5 h ALA 284 CO -0.02 0.20 -0.14 -0.09 0.00 0.00 0.00 179.25 179.20 3kr5 h ARG 285 N 0.88 0.87 0.03 0.00 2.43 -0.93 0.82 114.38 118.48 3kr5 h ARG 285 Ca 0.36 -0.32 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3kr5 h ARG 285 Cb 0.20 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.69 3kr5 h ARG 285 CO -0.18 0.96 -0.01 0.28 -1.51 0.00 0.00 179.97 179.50 3kr5 h VAL 286 N 0.78 1.20 -0.46 0.20 2.07 -0.57 -2.03 116.25 117.43 3kr5 h VAL 286 Ca 0.12 -0.73 0.07 0.00 0.82 0.00 0.00 66.70 66.98 3kr5 h VAL 286 Cb 0.66 1.69 -0.06 0.00 -1.52 0.00 0.00 31.29 32.06 3kr5 h VAL 286 CO 0.05 0.19 0.11 1.88 0.02 0.00 0.00 177.57 179.81 3kr5 h TYR 287 N -0.36 0.18 -0.28 1.57 -1.99 -0.50 -0.17 116.97 115.43 3kr5 h TYR 287 Ca -0.00 0.03 0.07 0.00 2.00 0.00 0.00 58.73 60.82 3kr5 h TYR 287 Cb 0.34 -0.01 -0.07 0.00 2.00 0.00 0.00 36.73 38.98 3kr5 h TYR 287 CO 0.03 0.02 -0.25 -0.92 -0.00 0.00 0.00 178.16 177.04 3kr5 h TYR 288 N 0.25 -0.68 -0.37 4.88 3.20 0.72 -1.37 116.97 123.60 3kr5 h TYR 288 Ca 0.23 0.04 -0.11 0.00 3.14 0.00 0.00 58.73 62.02 3kr5 h TYR 288 Cb 0.28 0.34 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 3kr5 h TYR 288 CO -0.20 -0.33 -0.23 0.35 -1.64 0.00 0.00 178.16 176.11 3kr5 h PHE 289 N -0.24 0.85 -0.38 -3.82 3.57 -0.59 0.29 116.94 116.63 3kr5 h PHE 289 Ca 0.15 -0.19 0.04 0.00 3.53 0.00 0.00 57.97 61.49 3kr5 h PHE 289 Cb 0.47 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.97 3kr5 h PHE 289 CO -0.42 0.91 0.15 0.78 -2.23 0.00 0.00 178.31 177.50 3kr5 h GLY 290 N 0.97 0.49 0.91 2.40 0.00 -0.61 0.81 103.07 108.04 3kr5 h GLY 290 Ca 0.09 -0.09 -0.05 0.00 0.00 0.00 0.00 47.33 47.28 3kr5 h GLY 290 CO 0.06 0.05 0.04 -0.84 0.00 0.00 0.00 176.54 175.85 3kr5 h THR 291 N 0.31 1.24 -0.13 4.70 2.02 -0.74 -1.05 112.91 119.27 3kr5 h THR 291 Ca 0.17 -0.87 -0.13 0.00 0.77 0.00 0.00 66.41 66.34 3kr5 h THR 291 Cb 0.13 1.14 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 3kr5 h THR 291 CO -0.16 0.29 -0.48 0.22 0.37 0.00 0.00 175.52 175.76 3kr5 h TYR 292 N 0.41 0.40 -0.50 3.16 3.20 0.14 0.61 116.97 124.39 3kr5 h TYR 292 Ca 0.10 -0.13 -0.10 0.00 3.14 0.00 0.00 58.73 61.75 3kr5 h TYR 292 Cb 0.38 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 3kr5 h TYR 292 CO 0.03 0.76 -0.07 -0.92 -1.64 0.00 0.00 178.16 176.31 3kr5 h TYR 293 N 0.27 1.03 -0.20 -3.82 3.20 0.89 0.18 116.97 118.52 3kr5 h TYR 293 Ca 0.01 -0.20 -0.01 0.00 3.14 0.00 0.00 58.73 61.67 3kr5 h TYR 293 Cb 0.95 -0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 3kr5 h TYR 293 CO 0.02 0.98 0.09 0.00 -1.64 0.00 0.00 178.16 177.61 3kr5 h ALA 294 N 0.91 0.25 -0.49 1.82 0.00 -0.75 -2.09 119.26 118.91 3kr5 h ALA 294 Ca 0.13 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.05 3kr5 h ALA 294 Cb 0.61 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 18.23 3kr5 h ALA 294 CO 0.04 -0.18 -0.17 1.03 0.00 0.00 0.00 179.25 179.97 3kr5 h SER 295 N 0.18 -0.60 -0.66 0.00 0.87 -0.59 -0.00 113.55 112.75 3kr5 h SER 295 Ca 0.07 0.16 0.04 0.00 -1.23 0.00 0.00 61.79 60.83 3kr5 h SER 295 Cb 0.14 0.36 -0.05 0.00 -0.44 0.00 0.00 62.40 62.40 3kr5 h SER 295 CO -0.01 -0.20 0.39 1.56 -0.53 0.00 0.00 176.83 178.04 3kr5 h GLN 296 N -0.06 0.72 -0.24 2.24 4.20 -0.34 0.10 115.11 121.75 3kr5 h GLN 296 Ca 0.23 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 3kr5 h GLN 296 Cb 0.42 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.02 3kr5 h GLN 296 CO -0.53 0.48 0.10 -0.07 -0.67 0.00 0.00 178.83 178.14 3kr5 h LEU 297 N 0.74 0.32 0.07 1.46 3.38 -0.62 -1.51 115.31 119.15 3kr5 h LEU 297 Ca 0.28 -0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 3kr5 h LEU 297 Cb 0.10 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3kr5 h LEU 297 CO -0.14 0.38 -0.03 0.40 0.09 0.00 0.00 178.44 179.14 3kr5 h ILE 298 N 0.23 0.97 -0.30 1.22 2.04 -0.72 -2.97 117.51 117.99 3kr5 h ILE 298 Ca 0.08 -0.11 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 3kr5 h ILE 298 Cb 0.16 1.04 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 3kr5 h ILE 298 CO -0.01 0.03 0.03 0.00 0.00 0.00 0.00 178.15 178.20 3kr5 h ALA 299 N 0.79 1.51 -2.03 1.87 0.00 -0.72 -3.41 119.26 117.27 3kr5 h ALA 299 Ca -0.01 -0.15 -0.62 0.00 0.00 0.00 0.00 54.91 54.12 3kr5 h ALA 299 Cb 0.12 -0.13 0.03 0.00 0.00 0.00 0.00 17.79 17.80 3kr5 h ALA 299 CO 0.02 0.36 0.97 0.00 0.00 0.00 0.00 179.25 180.59 3kr5 n ALA 300 N -2.48 0.81 -1.05 0.00 0.00 -0.58 -4.92 120.51 112.29 3kr5 n ALA 300 Ca 0.01 0.35 -0.30 0.00 0.00 0.00 0.00 53.44 53.50 3kr5 n ALA 300 Cb 0.20 -2.41 0.14 0.00 0.00 0.00 0.00 19.45 17.38 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 2.99 1.29 0.54 0.00 0.02 -1.26 -4.51 135.00 134.07 3kr5 s PRO 301 Ca 0.89 1.08 0.32 0.00 0.02 0.00 0.00 61.00 63.31 3kr5 s PRO 301 Cb -0.74 -1.79 1.45 0.00 0.02 0.00 0.00 34.50 33.44 3kr5 s PRO 301 CO 0.49 -2.29 2.03 0.77 -0.33 0.00 0.00 177.00 177.67 3kr5 h SER 302 N -1.60 0.00 0.52 2.53 0.02 -1.81 0.36 113.55 113.58 3kr5 h SER 302 Ca -0.48 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.37 3kr5 h SER 302 Cb 1.27 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.79 3kr5 h SER 302 CO 0.50 0.07 -0.51 -0.55 -1.14 0.00 0.00 176.83 175.21 3kr5 h ASN 303 N 0.00 0.00 0.00 3.07 -1.07 -1.93 -3.28 115.58 112.37 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 0.45 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.68 3kr5 h ASN 303 CO 0.01 0.51 -0.72 1.88 0.07 0.00 0.00 177.43 179.18 3kr5 h TYR 304 N 0.00 0.00 -3.32 4.14 0.05 -1.51 -3.40 116.97 112.93 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 0.91 0.00 -0.24 0.00 1.01 0.00 0.00 36.73 38.41 3kr5 h TYR 304 CO 0.00 1.21 0.09 0.00 -1.05 0.00 0.00 178.16 178.41 3kr5 s ASN 306 N 2.96 4.00 0.35 0.00 2.20 -1.24 -4.32 114.94 118.89 3kr5 s ASN 306 Ca 0.14 -1.47 0.10 0.00 -0.94 0.00 0.00 52.86 50.69 3kr5 s ASN 306 Cb -0.17 -0.04 0.84 0.00 -2.00 0.00 0.00 41.25 39.88 3kr5 s ASN 306 CO -0.03 -0.61 1.84 -0.65 -2.94 0.00 0.00 177.10 174.70 3kr5 h PRO 307 N 1.59 0.64 -0.01 3.55 0.11 -1.88 0.32 132.00 136.32 3kr5 h PRO 307 Ca -0.44 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 3kr5 h PRO 307 Cb 1.27 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3kr5 h PRO 307 CO 0.78 0.43 -0.08 0.28 -0.21 0.00 0.00 178.00 179.19 3kr5 h VAL 308 N 0.66 1.53 -0.32 3.15 2.07 -1.94 -2.17 116.25 119.23 3kr5 h VAL 308 Ca 0.49 -1.66 -0.10 0.00 0.82 0.00 0.00 66.70 66.25 3kr5 h VAL 308 Cb 0.86 2.60 -0.01 0.00 -1.52 0.00 0.00 31.29 33.21 3kr5 h VAL 308 CO -0.24 0.44 -0.21 0.77 0.02 0.00 0.00 177.57 178.35 3kr5 h SER 309 N -0.57 0.60 0.18 0.57 4.64 -1.77 -0.10 113.55 117.10 3kr5 h SER 309 Ca -0.01 -0.20 -0.01 0.00 -0.47 0.00 0.00 61.79 61.11 3kr5 h SER 309 Cb 0.77 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 3kr5 h SER 309 CO 0.02 0.81 -0.09 0.25 -0.87 0.00 0.00 176.83 176.95 3kr5 h LEU 310 N 0.53 -0.21 -1.47 5.97 5.85 -0.43 -1.76 115.31 123.79 3kr5 h LEU 310 Ca 0.08 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.63 3kr5 h LEU 310 Cb 0.65 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 41.72 3kr5 h LEU 310 CO 0.05 0.04 0.21 0.77 -0.34 0.00 0.00 178.44 179.17 3kr5 h SER 311 N -0.46 0.51 -0.91 1.25 4.64 -1.28 -0.93 113.55 116.37 3kr5 h SER 311 Ca -0.03 -0.04 0.02 0.00 -0.47 0.00 0.00 61.79 61.28 3kr5 h SER 311 Cb 0.36 -0.13 -0.05 0.00 -0.31 0.00 0.00 62.40 62.27 3kr5 h SER 311 CO 0.04 0.43 0.60 0.78 -0.87 0.00 0.00 176.83 177.81 3kr5 h ASN 312 N 0.58 1.02 -0.17 4.97 2.35 -0.89 -1.63 115.58 121.80 3kr5 h ASN 312 Ca 0.15 -0.02 -0.12 0.00 -0.55 0.00 0.00 56.30 55.76 3kr5 h ASN 312 Cb 0.04 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 3kr5 h ASN 312 CO -0.02 0.72 -0.32 0.00 -1.65 0.00 0.00 177.43 176.16 3kr5 h ALA 313 N 1.35 0.86 -0.44 -0.83 0.00 -0.29 0.02 119.26 119.93 3kr5 h ALA 313 Ca 0.35 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3kr5 h ALA 313 Cb -0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3kr5 h ALA 313 CO -0.09 0.63 0.16 0.00 0.00 0.00 0.00 179.25 179.95 3kr5 h ALA 314 N 1.08 0.57 -0.48 0.00 0.00 -0.91 0.14 119.26 119.67 3kr5 h ALA 314 Ca 0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3kr5 h ALA 314 Cb 0.82 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3kr5 h ALA 314 CO 0.07 0.20 0.27 0.28 0.00 0.00 0.00 179.25 180.07 3kr5 h VAL 315 N 0.57 1.16 -0.80 0.00 2.07 -0.84 0.15 116.25 118.55 3kr5 h VAL 315 Ca 0.14 -0.39 0.03 0.00 0.82 0.00 0.00 66.70 67.30 3kr5 h VAL 315 Cb 0.22 0.55 -0.05 0.00 -1.52 0.00 0.00 31.29 30.50 3kr5 h VAL 315 CO -0.01 0.17 0.52 -0.08 0.02 0.00 0.00 177.57 178.19 3kr5 h GLU 316 N 0.63 0.99 -0.35 1.57 4.81 -0.83 -0.18 114.58 121.23 3kr5 h GLU 316 Ca 0.17 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.27 3kr5 h GLU 316 Cb 0.03 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 3kr5 h GLU 316 CO -0.03 0.66 -0.05 1.25 -0.73 0.00 0.00 179.01 180.11 3kr5 h LEU 317 N 1.02 0.65 -0.74 1.64 5.85 -0.31 -1.86 115.31 121.57 3kr5 h LEU 317 Ca 0.32 -0.34 0.01 0.00 0.84 0.00 0.00 57.88 58.70 3kr5 h LEU 317 Cb -0.02 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.79 3kr5 h LEU 317 CO -0.10 0.84 0.48 0.00 -0.34 0.00 0.00 178.44 179.32 3kr5 h ALA 318 N 0.83 0.94 -0.66 1.25 0.00 -0.46 -0.91 119.26 120.24 3kr5 h ALA 318 Ca 0.09 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3kr5 h ALA 318 Cb 0.54 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3kr5 h ALA 318 CO 0.03 0.37 0.30 1.96 0.00 0.00 0.00 179.25 181.91 3kr5 h GLN 319 N 1.00 0.96 0.00 0.00 4.20 -0.84 0.14 115.11 120.57 3kr5 h GLN 319 Ca 0.27 -0.15 -0.05 0.00 0.06 0.00 0.00 58.65 58.78 3kr5 h GLN 319 Cb -0.10 -0.17 -0.01 0.00 0.30 0.00 0.00 27.48 27.50 3kr5 h GLN 319 CO -0.06 0.77 -0.25 0.87 -0.67 0.00 0.00 178.83 179.50 3kr5 h LYS 320 N 0.92 0.00 -0.13 1.46 1.57 -0.86 -2.92 116.57 116.60 3kr5 h LYS 320 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3kr5 h LYS 320 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3kr5 h LYS 320 CO -0.03 0.25 0.00 1.28 -0.57 0.00 0.00 179.45 180.38 3kr5 n LEU 321 N -3.77 2.88 -2.98 2.94 4.77 -0.39 -4.96 117.00 115.49 3kr5 n LEU 321 Ca -0.01 -1.17 -0.22 0.00 -0.03 0.00 0.00 56.01 54.57 3kr5 n LEU 321 Cb 0.35 -0.07 0.03 0.00 -2.33 0.00 0.00 43.42 41.39 3kr5 n LEU 321 CO 0.34 0.54 -0.03 0.59 -1.33 0.00 0.00 177.39 177.50 3kr5 n ASN 322 N 1.19 -5.95 -4.85 -1.43 3.02 0.28 -4.91 115.26 102.61 3kr5 n ASN 322 Ca 0.14 -0.26 -0.34 0.00 -0.03 0.00 0.00 54.58 54.08 3kr5 n ASN 322 Cb 0.52 -4.83 -0.06 0.00 -0.61 0.00 0.00 39.78 34.81 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 -6.61 4.27 0.31 3.41 1.43 0.05 -5.02 118.68 116.53 3kr5 s LEU 323 Ca 0.28 1.13 -0.29 0.00 -1.03 0.00 0.00 54.13 54.22 3kr5 s LEU 323 Cb -0.12 -3.50 -0.10 0.00 0.03 0.00 0.00 46.19 42.49 3kr5 s LEU 323 CO 0.34 0.02 1.30 -1.61 0.23 0.00 0.00 176.35 176.63 3kr5 s GLU 324 N -2.25 4.38 0.02 1.70 8.01 -0.77 -4.57 118.70 125.20 3kr5 s GLU 324 Ca 0.43 2.18 -0.03 0.00 0.01 0.00 0.00 54.97 57.55 3kr5 s GLU 324 Cb -0.14 -3.09 -0.01 0.00 -4.31 0.00 0.00 34.13 26.58 3kr5 s GLU 324 CO 0.20 -0.17 0.04 1.52 0.01 0.00 0.00 175.26 176.86 3kr5 s TYR 325 N -1.00 0.19 -0.08 1.61 -0.85 -1.26 0.20 117.35 116.17 3kr5 s TYR 325 Ca 0.50 -0.42 -0.04 0.00 -0.52 0.00 0.00 57.07 56.59 3kr5 s TYR 325 Cb -0.39 -0.15 0.04 0.00 0.38 0.00 0.00 41.96 41.84 3kr5 s TYR 325 CO 0.50 -0.25 0.18 0.21 -1.52 0.00 0.00 175.55 174.67 3kr5 s LYS 326 N -1.68 0.13 -0.26 -3.49 2.20 0.93 -4.99 119.74 112.58 3kr5 s LYS 326 Ca -0.13 0.42 -0.05 0.00 -0.36 0.00 0.00 55.97 55.84 3kr5 s LYS 326 Cb -0.07 -0.15 -0.00 0.00 -1.51 0.00 0.00 37.83 36.09 3kr5 s LYS 326 CO -0.01 -0.16 0.02 0.42 -0.36 0.00 0.00 175.35 175.26 3kr5 s ILE 327 N 1.17 3.75 -0.27 5.43 -1.09 -1.26 -1.01 121.20 127.92 3kr5 s ILE 327 Ca -0.09 -0.53 -0.23 0.00 -2.23 0.00 0.00 60.65 57.57 3kr5 s ILE 327 Cb -0.11 -2.81 -0.01 0.00 -1.58 0.00 0.00 42.46 37.95 3kr5 s ILE 327 CO -0.07 0.27 0.76 -0.76 -1.23 0.00 0.00 174.94 173.91 3kr5 s LEU 328 N 1.50 4.08 0.74 2.97 1.02 0.42 -4.89 118.68 124.52 3kr5 s LEU 328 Ca 0.04 0.79 -0.03 0.00 0.02 0.00 0.00 54.13 54.95 3kr5 s LEU 328 Cb -0.16 -3.06 0.12 0.00 0.02 0.00 0.00 46.19 43.12 3kr5 s LEU 328 CO 0.00 -0.53 1.02 -0.83 0.02 0.00 0.00 176.35 176.04 3kr5 s GLY 329 N 1.50 1.76 0.23 -3.19 0.00 -1.26 -1.04 107.32 105.31 3kr5 s GLY 329 Ca 0.32 -1.54 -0.06 0.00 0.00 0.00 0.00 44.72 43.44 3kr5 s GLY 329 CO 0.10 -0.98 1.82 -2.08 0.00 0.00 0.00 173.10 171.96 3kr5 h VAL 330 N -0.64 0.96 -0.50 1.40 2.07 -1.95 0.05 116.25 117.64 3kr5 h VAL 330 Ca -0.39 -0.27 0.00 0.00 0.82 0.00 0.00 66.70 66.86 3kr5 h VAL 330 Cb 1.27 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 3kr5 h VAL 330 CO 0.43 0.15 0.33 0.11 0.02 0.00 0.00 177.57 178.60 3kr5 h LYS 331 N 0.80 0.66 -0.52 1.57 1.79 -1.96 0.10 116.57 119.02 3kr5 h LYS 331 Ca 0.36 -0.04 -0.11 0.00 -2.18 0.00 0.00 60.65 58.67 3kr5 h LYS 331 Cb 0.25 -0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 30.74 3kr5 h LYS 331 CO -0.21 0.45 -0.11 0.93 -1.08 0.00 0.00 179.45 179.43 3kr5 h GLU 332 N 0.68 0.99 -0.79 3.15 5.08 -1.66 -1.66 114.58 120.37 3kr5 h GLU 332 Ca 0.18 -0.37 0.04 0.00 -1.00 0.00 0.00 59.36 58.21 3kr5 h GLU 332 Cb -0.07 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.07 3kr5 h GLU 332 CO -0.04 1.05 0.50 -0.07 -1.00 0.00 0.00 179.01 179.44 3kr5 h LEU 333 N 0.85 0.81 -0.30 1.33 3.38 -0.56 0.12 115.31 120.95 3kr5 h LEU 333 Ca 0.13 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 3kr5 h LEU 333 Cb 0.67 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3kr5 h LEU 333 CO 0.05 0.55 0.13 -0.33 0.09 0.00 0.00 178.44 178.93 3kr5 h GLU 334 N 0.95 0.44 -0.61 1.13 5.08 -0.55 -0.89 114.58 120.14 3kr5 h GLU 334 Ca 0.32 -0.08 0.04 0.00 -1.00 0.00 0.00 59.36 58.65 3kr5 h GLU 334 Cb 0.05 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 3kr5 h GLU 334 CO -0.13 0.45 0.40 0.93 -1.00 0.00 0.00 179.01 179.66 3kr5 h GLU 335 N 0.34 0.67 -0.00 2.33 5.08 -0.81 0.64 114.58 122.83 3kr5 h GLU 335 Ca 0.10 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3kr5 h GLU 335 Cb 0.16 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.26 3kr5 h GLU 335 CO -0.01 0.44 -0.03 1.28 -1.00 0.00 0.00 179.01 179.69 3kr5 n LEU 336 N -4.47 0.42 -2.57 1.33 4.77 0.39 -4.91 117.00 111.96 3kr5 n LEU 336 Ca 0.08 -0.07 -0.19 0.00 -0.03 0.00 0.00 56.01 55.79 3kr5 n LEU 336 Cb 0.16 -0.07 0.03 0.00 -2.33 0.00 0.00 43.42 41.20 3kr5 n LEU 336 CO 0.35 0.07 -0.03 0.29 -1.33 0.00 0.00 177.39 176.74 3kr5 n LYS 337 N -0.78 -3.93 -1.70 3.23 5.02 0.22 -4.66 118.16 115.56 3kr5 n LYS 337 Ca 0.20 0.81 -0.41 0.00 -2.02 0.00 0.00 58.31 56.89 3kr5 n LYS 337 Cb 0.21 -5.41 -0.01 0.00 -0.02 0.00 0.00 35.03 29.80 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 -3.50 3.38 0.04 1.97 2.81 -0.84 -2.02 117.12 118.96 3kr5 n MET 338 Ca -0.11 -2.67 -0.03 0.00 -1.81 0.00 0.00 57.70 53.07 3kr5 n MET 338 Cb 0.61 -3.03 0.21 0.00 -0.71 0.00 0.00 33.22 30.30 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 8.37 0.43 0.64 3.03 0.00 -1.73 0.09 103.07 113.91 3kr5 h GLY 339 Ca 0.66 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.61 3kr5 h GLY 339 CO 1.79 0.34 -0.03 0.00 0.00 0.00 0.00 176.54 178.64 3kr5 h ALA 340 N 1.32 -0.09 0.03 3.60 0.00 -1.84 -0.37 119.26 121.91 3kr5 h ALA 340 Ca 0.04 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 3kr5 h ALA 340 Cb 0.73 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3kr5 h ALA 340 CO 0.06 -0.37 -0.02 -0.92 0.00 0.00 0.00 179.25 178.00 3kr5 h TYR 341 N -0.45 -0.04 -0.13 0.00 3.20 -1.61 -2.67 116.97 115.28 3kr5 h TYR 341 Ca -0.01 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 3kr5 h TYR 341 Cb 0.39 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.66 3kr5 h TYR 341 CO 0.04 -0.02 -0.18 -0.07 -1.64 0.00 0.00 178.16 176.29 3kr5 h LEU 342 N -0.05 0.20 -0.58 2.82 3.38 -1.00 -2.87 115.31 117.21 3kr5 h LEU 342 Ca -0.00 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3kr5 h LEU 342 Cb 0.04 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.71 3kr5 h LEU 342 CO 0.01 0.40 0.30 0.28 0.09 0.00 0.00 178.44 179.51 3kr5 h SER 343 N 0.19 0.75 -0.76 -0.43 0.02 -0.71 -2.08 113.55 110.53 3kr5 h SER 343 Ca 0.04 -0.12 0.08 0.00 -0.84 0.00 0.00 61.79 60.95 3kr5 h SER 343 Cb 0.44 -0.19 -0.06 0.00 0.14 0.00 0.00 62.40 62.72 3kr5 h SER 343 CO 0.03 0.65 0.42 0.58 -1.14 0.00 0.00 176.83 177.38 3kr5 h VAL 344 N 0.79 0.94 0.00 2.27 2.07 -1.35 -2.67 116.25 118.29 3kr5 h VAL 344 Ca 0.20 -0.26 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3kr5 h VAL 344 Cb 0.09 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 3kr5 h VAL 344 CO -0.03 0.14 0.00 0.61 0.02 0.00 0.00 177.57 178.31 3kr5 n GLY 345 N -1.31 -1.59 0.32 2.17 0.00 -0.99 -4.16 105.19 99.63 3kr5 n GLY 345 Ca 0.11 -0.04 0.15 0.00 0.00 0.00 0.00 46.02 46.24 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 0.00 0.25 0.00 1.61 1.57 -1.02 0.19 116.57 119.17 3kr5 h LYS 346 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3kr5 h LYS 346 Cb 0.62 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.88 3kr5 h LYS 346 CO 0.00 0.17 0.00 0.41 -0.57 0.00 0.00 179.45 179.46 3kr5 n GLY 347 N -1.35 -0.95 3.88 3.86 0.00 -1.23 -4.46 105.19 104.94 3kr5 n GLY 347 Ca 0.24 -0.10 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.53 6.56 0.23 1.61 0.15 0.66 -4.54 113.70 115.84 3kr5 s SER 348 Ca 0.20 0.74 0.24 0.00 0.70 0.00 0.00 55.95 57.84 3kr5 s SER 348 Cb 0.14 -2.15 0.92 0.00 -1.71 0.00 0.00 66.02 63.21 3kr5 s SER 348 CO 0.31 0.03 1.74 1.15 1.20 0.00 0.00 173.24 177.66 3kr5 n MET 349 N 0.13 0.21 -3.62 5.44 0.00 -1.26 -4.64 117.12 113.38 3kr5 n MET 349 Ca -0.02 0.33 -0.37 0.00 0.00 0.00 0.00 57.70 57.64 3kr5 n MET 349 Cb 0.52 -1.83 -0.10 0.00 0.00 0.00 0.00 33.22 31.81 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 -3.23 3.30 0.38 3.17 1.51 -1.26 -4.89 117.35 116.34 3kr5 s TYR 350 Ca 0.07 0.23 -0.28 0.00 -1.01 0.00 0.00 57.07 56.08 3kr5 s TYR 350 Cb 0.11 -2.32 -0.11 0.00 -0.11 0.00 0.00 41.96 39.53 3kr5 s TYR 350 CO 0.47 0.01 1.47 -2.14 -1.11 0.00 0.00 175.55 174.25 3kr5 s PRO 351 N 1.24 4.07 0.39 -1.71 0.02 -1.26 -4.76 135.00 132.99 3kr5 s PRO 351 Ca 0.08 2.54 -0.25 0.00 0.02 0.00 0.00 61.00 63.39 3kr5 s PRO 351 Cb -0.14 -2.94 -0.11 0.00 0.02 0.00 0.00 34.50 31.33 3kr5 s PRO 351 CO 0.06 -0.55 1.03 0.09 -0.33 0.00 0.00 177.00 177.30 3kr5 n ASN 352 N 0.40 1.37 -3.82 2.53 4.13 -1.26 -4.54 115.26 114.07 3kr5 n ASN 352 Ca 0.01 1.08 -0.24 0.00 1.68 0.00 0.00 54.58 57.11 3kr5 n ASN 352 Cb 0.40 -1.35 -0.17 0.00 -1.54 0.00 0.00 39.78 37.11 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 -1.91 0.90 -0.30 3.52 -0.14 -0.70 -4.10 119.74 117.00 3kr5 s LYS 353 Ca 0.62 -0.02 -0.15 0.00 -1.36 0.00 0.00 55.97 55.05 3kr5 s LYS 353 Cb -0.58 -1.13 -0.03 0.00 -1.68 0.00 0.00 37.83 34.40 3kr5 s LYS 353 CO 0.58 -0.27 0.39 0.12 -0.76 0.00 0.00 175.35 175.41 3kr5 s PHE 354 N 1.78 3.23 -0.19 3.18 2.19 -0.21 -1.00 117.98 126.96 3kr5 s PHE 354 Ca 0.03 0.28 -0.20 0.00 0.33 0.00 0.00 56.93 57.37 3kr5 s PHE 354 Cb -0.13 -2.64 -0.03 0.00 -1.31 0.00 0.00 43.02 38.91 3kr5 s PHE 354 CO -0.05 -0.32 0.59 0.42 1.83 0.00 0.00 175.22 177.69 3kr5 s ILE 355 N 2.10 5.06 -0.31 3.12 1.01 0.13 -0.43 121.20 131.88 3kr5 s ILE 355 Ca 0.15 1.12 0.00 0.00 0.00 0.00 0.00 60.65 61.91 3kr5 s ILE 355 Cb -0.16 -3.91 0.10 0.00 0.01 0.00 0.00 42.46 38.50 3kr5 s ILE 355 CO 0.11 0.15 0.08 -2.28 0.00 0.00 0.00 174.94 173.00 3kr5 s HIS 356 N 1.71 2.05 -0.01 3.97 2.46 -0.18 -1.14 115.29 124.16 3kr5 s HIS 356 Ca 0.28 -1.92 -0.02 0.00 0.47 0.00 0.00 55.06 53.86 3kr5 s HIS 356 Cb -0.16 -1.89 -0.04 0.00 -0.13 0.00 0.00 32.58 30.36 3kr5 s HIS 356 CO 0.10 -0.88 0.14 -0.51 -2.47 0.00 0.00 174.74 171.13 3kr5 s LEU 357 N 1.50 4.18 -0.03 8.88 1.02 0.33 -0.05 118.68 134.52 3kr5 s LEU 357 Ca 0.09 0.27 0.02 0.00 0.02 0.00 0.00 54.13 54.53 3kr5 s LEU 357 Cb -0.18 -2.47 0.01 0.00 0.02 0.00 0.00 46.19 43.58 3kr5 s LEU 357 CO -0.21 0.27 -0.07 -0.89 0.02 0.00 0.00 176.35 175.47 3kr5 s THR 358 N -1.27 0.64 -0.15 5.49 2.01 0.13 0.22 115.64 122.72 3kr5 s THR 358 Ca 0.25 -0.25 0.01 0.00 0.31 0.00 0.00 61.69 62.01 3kr5 s THR 358 Cb -0.12 -0.60 -0.00 0.00 0.01 0.00 0.00 72.50 71.78 3kr5 s THR 358 CO 0.16 0.22 -0.16 -0.47 -0.69 0.00 0.00 174.62 173.68 3kr5 s TYR 359 N 0.43 2.76 -0.07 4.92 5.04 0.57 -1.86 117.35 129.13 3kr5 s TYR 359 Ca -0.06 -1.01 0.04 0.00 -2.44 0.00 0.00 57.07 53.60 3kr5 s TYR 359 Cb -0.10 -1.86 -0.01 0.00 0.35 0.00 0.00 41.96 40.33 3kr5 s TYR 359 CO 0.00 -0.45 -0.21 0.21 -1.34 0.00 0.00 175.55 173.76 3kr5 s LYS 360 N 0.72 2.75 0.66 4.97 2.20 -1.26 -0.08 119.74 129.69 3kr5 s LYS 360 Ca -0.07 -0.84 -0.14 0.00 -0.36 0.00 0.00 55.97 54.56 3kr5 s LYS 360 Cb -0.16 -2.29 -0.00 0.00 -1.51 0.00 0.00 37.83 33.87 3kr5 s LYS 360 CO 0.01 0.36 1.09 -1.12 -0.36 0.00 0.00 175.35 175.34 3kr5 s SER 361 N -0.10 5.23 0.13 1.43 0.01 0.26 -4.97 113.70 115.69 3kr5 s SER 361 Ca -0.05 1.90 -0.15 0.00 1.31 0.00 0.00 55.95 58.97 3kr5 s SER 361 Cb -0.14 -2.54 -0.01 0.00 0.21 0.00 0.00 66.02 63.54 3kr5 s SER 361 CO 0.04 -1.55 1.59 0.11 0.41 0.00 0.00 173.24 173.85 3kr5 h LYS 362 N -0.05 0.71 0.00 12.44 1.57 -1.90 -3.46 116.57 125.87 3kr5 h LYS 362 Ca -0.46 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.11 3kr5 h LYS 362 Cb 1.24 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.47 3kr5 h LYS 362 CO 0.55 0.76 0.00 0.41 -0.57 0.00 0.00 179.45 180.60 3kr5 n GLY 363 N -0.44 -1.01 3.76 3.86 0.00 -1.26 -4.97 105.19 105.13 3kr5 n GLY 363 Ca -0.00 -1.55 -0.41 0.00 0.00 0.00 0.00 46.02 44.05 3kr5 n GLY 363 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kr5 s ASP 364 N -1.14 6.71 -0.33 1.61 -0.00 -1.26 -4.80 116.67 117.46 3kr5 s ASP 364 Ca 0.00 2.67 -0.21 0.00 -0.00 0.00 0.00 52.55 55.01 3kr5 s ASP 364 Cb 0.00 -2.63 -0.00 0.00 -0.00 0.00 0.00 42.92 40.28 3kr5 s ASP 364 CO 0.00 -0.62 0.67 -0.69 -0.00 0.00 0.00 175.17 174.53 3kr5 s VAL 365 N -0.52 4.88 -0.07 -1.27 1.01 -1.26 -3.78 120.40 119.39 3kr5 s VAL 365 Ca 0.54 0.83 0.17 0.00 0.00 0.00 0.00 61.98 63.53 3kr5 s VAL 365 Cb -0.41 -4.07 -0.26 0.00 0.00 0.00 0.00 36.38 31.64 3kr5 s VAL 365 CO 0.48 -0.24 0.30 0.29 0.00 0.00 0.00 175.10 175.92 3kr5 n LYS 366 N 6.04 0.76 -3.76 2.72 5.02 0.10 -4.95 118.16 124.09 3kr5 n LYS 366 Ca 0.00 -0.12 -0.16 0.00 -2.02 0.00 0.00 58.31 56.02 3kr5 n LYS 366 Cb 0.49 -1.43 -0.16 0.00 -0.02 0.00 0.00 35.03 33.90 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 -3.01 -0.04 -0.18 1.97 2.47 -0.81 -5.05 119.74 115.10 3kr5 s LYS 367 Ca -0.07 0.22 -0.03 0.00 -1.56 0.00 0.00 55.97 54.53 3kr5 s LYS 367 Cb 0.10 -0.28 -0.01 0.00 -1.46 0.00 0.00 37.83 36.17 3kr5 s LYS 367 CO 0.74 -0.19 -0.07 0.15 0.16 0.00 0.00 175.35 176.14 3kr5 s LYS 368 N 1.23 3.44 -0.05 4.03 1.02 -1.26 -0.87 119.74 127.28 3kr5 s LYS 368 Ca -0.07 -0.62 0.04 0.00 0.02 0.00 0.00 55.97 55.33 3kr5 s LYS 368 Cb -0.13 -2.86 0.00 0.00 -0.52 0.00 0.00 37.83 34.32 3kr5 s LYS 368 CO -0.03 0.02 -0.16 0.42 -0.92 0.00 0.00 175.35 174.68 3kr5 s ILE 369 N 0.89 1.41 -0.25 2.17 1.01 0.23 0.46 121.20 127.11 3kr5 s ILE 369 Ca -0.02 -0.68 -0.06 0.00 0.00 0.00 0.00 60.65 59.89 3kr5 s ILE 369 Cb -0.15 -1.22 -0.01 0.00 0.01 0.00 0.00 42.46 41.09 3kr5 s ILE 369 CO 0.01 0.41 0.04 0.00 0.00 0.00 0.00 174.94 175.39 3kr5 s ALA 370 N 0.21 3.02 -0.27 9.38 0.00 0.32 0.14 121.76 134.56 3kr5 s ALA 370 Ca -0.08 -1.24 -0.09 0.00 0.00 0.00 0.00 51.96 50.55 3kr5 s ALA 370 Cb -0.13 -1.98 -0.03 0.00 0.00 0.00 0.00 23.12 20.98 3kr5 s ALA 370 CO 0.03 -0.60 0.13 -0.51 0.00 0.00 0.00 175.76 174.81 3kr5 s LEU 371 N 1.54 3.77 -0.21 0.00 1.43 0.19 -1.29 118.68 124.11 3kr5 s LEU 371 Ca 0.05 -0.18 -0.02 0.00 -1.03 0.00 0.00 54.13 52.95 3kr5 s LEU 371 Cb -0.15 -2.01 0.01 0.00 0.03 0.00 0.00 46.19 44.06 3kr5 s LEU 371 CO 0.01 -0.07 -0.10 -0.69 0.23 0.00 0.00 176.35 175.73 3kr5 s VAL 372 N 1.67 2.79 -0.09 -1.59 1.01 0.44 0.66 120.40 125.29 3kr5 s VAL 372 Ca 0.06 -0.76 -0.00 0.00 0.00 0.00 0.00 61.98 61.28 3kr5 s VAL 372 Cb -0.16 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.92 3kr5 s VAL 372 CO 0.07 0.42 -0.06 -0.83 0.00 0.00 0.00 175.10 174.70 3kr5 s GLY 373 N 1.38 1.71 0.04 4.51 0.00 0.17 -0.10 107.32 115.03 3kr5 s GLY 373 Ca 0.04 -0.87 -0.30 0.00 0.00 0.00 0.00 44.72 43.59 3kr5 s GLY 373 CO -0.07 -0.51 1.25 1.25 0.00 0.00 0.00 173.10 175.01 3kr5 s LYS 374 N -0.53 4.39 -0.51 2.90 2.20 -0.37 -4.17 119.74 123.65 3kr5 s LYS 374 Ca 0.08 1.81 0.07 0.00 -0.36 0.00 0.00 55.97 57.57 3kr5 s LYS 374 Cb -0.12 -3.40 0.36 0.00 -1.51 0.00 0.00 37.83 33.16 3kr5 s LYS 374 CO 0.02 -0.35 0.94 0.41 -0.36 0.00 0.00 175.35 176.01 3kr5 n GLY 375 N 3.33 5.14 3.53 5.54 0.00 -1.26 -0.87 105.19 120.61 3kr5 n GLY 375 Ca 0.10 -2.53 -0.43 0.00 0.00 0.00 0.00 46.02 43.16 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 -4.23 4.55 0.23 -0.61 -1.09 -0.74 -1.45 121.20 117.86 3kr5 s ILE 376 Ca 0.46 0.34 0.09 0.00 -2.23 0.00 0.00 60.65 59.31 3kr5 s ILE 376 Cb 0.32 -4.41 -0.08 0.00 -1.58 0.00 0.00 42.46 36.71 3kr5 s ILE 376 CO -0.13 -0.88 1.52 0.71 -1.23 0.00 0.00 174.94 174.93 3kr5 h THR 377 N 6.00 1.52 -3.08 2.92 1.35 -1.35 -1.25 112.91 119.02 3kr5 h THR 377 Ca -0.25 -2.49 -0.17 0.00 -0.55 0.00 0.00 66.41 62.95 3kr5 h THR 377 Cb 1.08 2.34 -0.27 0.00 -1.73 0.00 0.00 68.15 69.58 3kr5 h THR 377 CO 1.01 0.71 -0.43 0.12 -0.25 0.00 0.00 175.52 176.68 3kr5 s PHE 378 N -3.36 -0.30 -0.44 4.73 5.36 -1.26 -4.32 117.98 118.39 3kr5 s PHE 378 Ca -0.01 0.73 0.01 0.00 -0.96 0.00 0.00 56.93 56.71 3kr5 s PHE 378 Cb 0.12 0.09 0.12 0.00 -0.34 0.00 0.00 43.02 43.01 3kr5 s PHE 378 CO 0.78 -0.17 0.19 0.34 -1.46 0.00 0.00 175.22 174.91 3kr5 s ASP 379 N 0.48 4.84 0.21 6.13 2.15 -1.18 -0.93 116.67 128.38 3kr5 s ASP 379 Ca -0.03 -2.44 0.26 0.00 0.43 0.00 0.00 52.55 50.77 3kr5 s ASP 379 Cb -0.04 -1.71 0.74 0.00 -0.30 0.00 0.00 42.92 41.61 3kr5 s ASP 379 CO -0.03 -0.38 1.72 -1.54 -0.17 0.00 0.00 175.17 174.78 3kr5 n SER 380 N 3.94 0.84 0.00 -0.34 3.41 -0.14 -4.80 113.62 116.53 3kr5 n SER 380 Ca 0.03 0.53 0.00 0.00 -0.26 0.00 0.00 58.87 59.17 3kr5 n SER 380 Cb 0.39 -0.70 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 3kr5 n SER 380 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3kr5 n GLY 381 N 1.30 3.31 7.00 5.00 0.00 -1.25 -0.81 105.19 119.75 3kr5 n GLY 381 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.71 -0.07 0.40 -0.02 0.00 -1.26 -2.12 105.19 100.41 3kr5 n GLY 382 Ca 0.00 -1.00 0.22 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 0.00 1.61 0.05 -1.80 -0.53 116.97 116.30 3kr5 h TYR 383 Ca 0.00 0.00 -0.57 0.00 0.05 0.00 0.00 58.73 58.21 3kr5 h TYR 383 Cb 0.00 0.00 0.02 0.00 1.01 0.00 0.00 36.73 37.76 3kr5 h TYR 383 CO 0.00 0.00 3.21 0.09 -1.05 0.00 0.00 178.16 180.41 3kr5 n ASN 384 N -4.15 7.68 -4.63 3.88 4.13 -1.20 -4.97 115.26 116.00 3kr5 n ASN 384 Ca 0.11 -2.51 -0.45 0.00 1.68 0.00 0.00 54.58 53.41 3kr5 n ASN 384 Cb 0.68 -1.45 -0.02 0.00 -1.54 0.00 0.00 39.78 37.45 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 3.59 2.43 -4.57 3.41 7.94 -0.21 -4.50 117.00 125.09 3kr5 n LEU 385 Ca 0.69 1.17 -0.25 0.00 -1.11 0.00 0.00 56.01 56.51 3kr5 n LEU 385 Cb 0.27 -1.35 -0.07 0.00 0.53 0.00 0.00 43.42 42.81 3kr5 n LEU 385 CO 0.76 -0.96 1.37 -0.54 -1.11 0.00 0.00 177.39 176.91 3kr5 s LYS 386 N -1.09 2.23 -0.00 1.96 1.02 0.01 -4.48 119.74 119.39 3kr5 s LYS 386 Ca 0.63 -0.70 0.03 0.00 0.02 0.00 0.00 55.97 55.96 3kr5 s LYS 386 Cb -0.69 -5.12 -0.05 0.00 -0.52 0.00 0.00 37.83 31.45 3kr5 s LYS 386 CO 0.56 -4.11 0.07 0.00 -0.92 0.00 0.00 175.35 170.95 3kr5 n ALA 387 N 15.47 2.13 -1.76 5.17 0.00 -1.26 -4.64 120.51 135.62 3kr5 n ALA 387 Ca 0.43 -0.08 -0.38 0.00 0.00 0.00 0.00 53.44 53.42 3kr5 n ALA 387 Cb 0.46 -0.11 0.02 0.00 0.00 0.00 0.00 19.45 19.82 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 -2.18 2.92 0.34 0.00 0.00 -1.26 -4.95 121.76 116.63 3kr5 s ALA 388 Ca -0.01 1.18 -0.29 0.00 0.00 0.00 0.00 51.96 52.84 3kr5 s ALA 388 Cb 0.02 -3.49 -0.12 0.00 0.00 0.00 0.00 23.12 19.53 3kr5 s ALA 388 CO 0.13 -1.06 1.48 -2.30 0.00 0.00 0.00 175.76 174.01 3kr5 n PRO 389 N -0.72 2.54 -0.98 0.00 -0.02 -1.26 -1.78 135.00 132.77 3kr5 n PRO 389 Ca 0.09 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 3kr5 n PRO 389 Cb 0.46 -2.61 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 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 1.11 0.62 0.09 -1.23 0.00 -1.26 -4.90 105.19 99.63 3kr5 n GLY 390 Ca 0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.07 0.62 -3.81 1.61 3.41 -0.74 -4.95 113.62 109.69 3kr5 n SER 391 Ca 0.00 0.58 -0.25 0.00 -0.26 0.00 0.00 58.87 58.94 3kr5 n SER 391 Cb 0.04 -0.74 0.03 0.00 -0.26 0.00 0.00 64.21 63.27 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 -2.11 -5.08 0.05 4.33 2.81 -1.26 -4.85 117.12 111.01 3kr5 n MET 392 Ca 0.05 0.60 0.17 0.00 -1.81 0.00 0.00 57.70 56.71 3kr5 n MET 392 Cb 0.36 -5.27 0.67 0.00 -0.71 0.00 0.00 33.22 28.27 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 -1.96 0.80 0.00 2.02 2.10 -1.92 -0.35 117.51 118.19 3kr5 h ILE 393 Ca -0.60 -0.01 0.00 0.00 1.08 0.00 0.00 64.86 65.33 3kr5 h ILE 393 Cb 1.37 0.77 0.00 0.00 -1.09 0.00 0.00 36.82 37.87 3kr5 h ILE 393 CO 0.62 0.00 0.00 -0.90 -1.08 0.00 0.00 178.15 176.79 3kr5 n ASP 394 N -4.42 0.51 0.02 2.19 5.75 -1.26 -2.02 116.55 117.32 3kr5 n ASP 394 Ca 0.07 0.61 0.12 0.00 -0.01 0.00 0.00 54.79 55.58 3kr5 n ASP 394 Cb 0.49 -0.73 0.15 0.00 -1.03 0.00 0.00 41.12 40.00 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 -2.05 0.61 0.00 -2.12 7.94 -0.14 -4.59 117.00 116.65 3kr5 n LEU 395 Ca 0.03 0.00 0.06 0.00 -1.11 0.00 0.00 56.01 55.00 3kr5 n LEU 395 Cb 0.24 -0.18 0.39 0.00 0.53 0.00 0.00 43.42 44.40 3kr5 n LEU 395 CO 0.20 0.08 0.60 0.23 -1.11 0.00 0.00 177.39 177.38 3kr5 n MET 396 N -1.75 0.41 0.22 1.96 2.81 -0.86 -0.95 117.12 118.96 3kr5 n MET 396 Ca 0.04 0.00 0.15 0.00 -1.81 0.00 0.00 57.70 56.08 3kr5 n MET 396 Cb 0.38 -1.50 0.74 0.00 -0.71 0.00 0.00 33.22 32.14 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 -0.05 0.03 2.10 -1.81 -2.89 116.57 113.95 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 0.00 1.97 -2.00 0.00 0.00 179.45 179.42 3kr5 n PHE 398 N -2.61 0.05 1.98 0.07 -0.00 -0.13 -3.95 117.46 112.87 3kr5 n PHE 398 Ca -0.01 -0.02 0.05 0.00 -0.00 0.00 0.00 57.45 57.47 3kr5 n PHE 398 Cb 0.14 0.00 0.28 0.00 -0.00 0.00 0.00 39.48 39.90 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 -0.05 0.00 -0.94 5.98 2.03 -1.10 -1.17 116.55 121.30 3kr5 n ASP 399 Ca 0.19 -1.68 0.08 0.00 0.52 0.00 0.00 54.79 53.89 3kr5 n ASP 399 Cb 0.29 0.00 0.25 0.00 -0.72 0.00 0.00 41.12 40.93 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 -0.65 3.10 -0.36 -0.67 0.00 -0.47 -1.78 117.12 116.29 3kr5 n MET 400 Ca 0.07 -2.64 0.08 0.00 0.00 0.00 0.00 57.70 55.21 3kr5 n MET 400 Cb 0.03 -1.71 0.26 0.00 0.00 0.00 0.00 33.22 31.80 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 2.19 0.89 -0.53 3.17 0.02 -1.30 0.16 113.55 118.15 3kr5 h SER 401 Ca 0.00 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 3kr5 h SER 401 Cb 1.28 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.67 3kr5 h SER 401 CO 0.18 0.45 0.30 1.23 -1.14 0.00 0.00 176.83 177.84 3kr5 h GLY 402 N 0.94 0.78 1.04 -3.77 0.00 -1.72 0.52 103.07 100.86 3kr5 h GLY 402 Ca 0.51 -0.34 -0.06 0.00 0.00 0.00 0.00 47.33 47.44 3kr5 h GLY 402 CO -0.28 0.33 0.23 0.00 0.00 0.00 0.00 176.54 176.81 3kr5 h ALA 404 N 1.11 0.50 -0.35 0.00 0.00 0.18 0.29 119.26 120.99 3kr5 h ALA 404 Ca 0.23 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.12 3kr5 h ALA 404 Cb 0.30 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3kr5 h ALA 404 CO -0.01 -0.00 0.13 0.00 0.00 0.00 0.00 179.25 179.37 3kr5 h ALA 405 N 1.10 0.41 -0.59 0.00 0.00 0.42 0.16 119.26 120.77 3kr5 h ALA 405 Ca 0.14 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3kr5 h ALA 405 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3kr5 h ALA 405 CO -0.03 -0.25 0.33 0.28 0.00 0.00 0.00 179.25 179.58 3kr5 h VAL 406 N 0.29 1.19 -0.32 0.00 2.07 -0.80 -0.36 116.25 118.32 3kr5 h VAL 406 Ca 0.15 -0.47 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 3kr5 h VAL 406 Cb 0.11 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.30 3kr5 h VAL 406 CO -0.15 0.20 0.05 -0.07 0.02 0.00 0.00 177.57 177.63 3kr5 h LEU 407 N 0.79 0.51 -1.01 2.57 3.38 -0.29 0.24 115.31 121.50 3kr5 h LEU 407 Ca 0.21 -0.26 0.07 0.00 0.09 0.00 0.00 57.88 57.99 3kr5 h LEU 407 Cb 0.03 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 40.58 3kr5 h LEU 407 CO -0.03 0.63 0.65 1.23 0.09 0.00 0.00 178.44 181.01 3kr5 h GLY 408 N 0.36 1.55 1.03 0.83 0.00 -0.56 0.10 103.07 106.37 3kr5 h GLY 408 Ca 0.10 -0.47 -0.08 0.00 0.00 0.00 0.00 47.33 46.87 3kr5 h GLY 408 CO 0.01 0.32 0.01 0.00 0.00 0.00 0.00 176.54 176.88 3kr5 h ALA 410 N 0.96 1.13 -0.26 0.00 0.00 0.18 0.31 119.26 121.59 3kr5 h ALA 410 Ca 0.15 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.11 3kr5 h ALA 410 Cb 0.52 -0.21 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 3kr5 h ALA 410 CO 0.03 0.23 -0.05 -0.92 0.00 0.00 0.00 179.25 178.54 3kr5 h TYR 411 N 0.92 -0.11 -0.14 0.00 3.20 -0.45 0.36 116.97 120.76 3kr5 h TYR 411 Ca 0.36 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.24 3kr5 h TYR 411 Cb 0.18 0.09 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 3kr5 h TYR 411 CO -0.04 -0.10 0.02 0.00 -1.64 0.00 0.00 178.16 176.41 3kr5 h VAL 413 N 0.00 1.26 -0.01 0.00 2.07 -0.39 0.42 116.25 119.59 3kr5 h VAL 413 Ca 0.04 -0.97 -0.01 0.00 0.82 0.00 0.00 66.70 66.58 3kr5 h VAL 413 Cb 0.29 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.24 3kr5 h VAL 413 CO 0.00 0.32 -0.05 1.23 0.02 0.00 0.00 177.57 179.10 3kr5 h GLY 414 N 0.44 0.02 0.30 2.17 0.00 -0.12 0.11 103.07 106.00 3kr5 h GLY 414 Ca 0.10 -0.01 -0.17 0.00 0.00 0.00 0.00 47.33 47.26 3kr5 h GLY 414 CO 0.02 0.01 -0.83 -0.84 0.00 0.00 0.00 176.54 174.89 3kr5 h THR 415 N 0.02 1.34 0.00 4.70 2.02 -0.53 -3.37 112.91 117.09 3kr5 h THR 415 Ca 0.00 -2.37 0.00 0.00 0.77 0.00 0.00 66.41 64.81 3kr5 h THR 415 Cb 0.10 2.92 0.00 0.00 -1.74 0.00 0.00 68.15 69.43 3kr5 h THR 415 CO 0.01 0.60 0.00 -0.07 0.37 0.00 0.00 175.52 176.43 3kr5 h LEU 416 N -0.67 0.00 -3.35 2.58 3.38 -0.09 -3.48 115.31 113.69 3kr5 h LEU 416 Ca -0.19 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.39 3kr5 h LEU 416 Cb 1.42 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.19 3kr5 h LEU 416 CO 0.01 0.00 -0.82 0.29 0.09 0.00 0.00 178.44 178.00 3kr5 n LYS 417 N -2.65 -1.24 -1.04 1.13 5.02 0.39 -4.95 118.16 114.82 3kr5 n LYS 417 Ca 0.05 0.73 -0.32 0.00 -2.02 0.00 0.00 58.31 56.75 3kr5 n LYS 417 Cb 0.47 -3.54 0.13 0.00 -0.02 0.00 0.00 35.03 32.07 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 -5.17 1.67 0.27 1.97 0.04 -1.26 -5.03 135.00 127.48 3kr5 s PRO 418 Ca 0.20 1.46 0.06 0.00 0.04 0.00 0.00 61.00 62.76 3kr5 s PRO 418 Cb -0.08 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.62 3kr5 s PRO 418 CO 0.87 -2.13 0.34 -1.21 0.04 0.00 0.00 177.00 174.90 3kr5 s GLU 419 N -4.58 3.21 -1.46 4.56 2.02 -1.26 -4.60 118.70 116.59 3kr5 s GLU 419 Ca 0.66 -0.92 0.00 0.00 0.02 0.00 0.00 54.97 54.74 3kr5 s GLU 419 Cb -0.22 -2.77 0.00 0.00 0.10 0.00 0.00 34.13 31.24 3kr5 s GLU 419 CO 0.54 0.33 0.00 0.09 0.02 0.00 0.00 175.26 176.24 3kr5 n ASN 420 N -1.40 -5.17 -4.22 -0.19 3.02 -1.25 -4.96 115.26 101.09 3kr5 n ASN 420 Ca -0.06 0.34 -0.23 0.00 -0.03 0.00 0.00 54.58 54.59 3kr5 n ASN 420 Cb 0.58 -3.88 -0.13 0.00 -0.61 0.00 0.00 39.78 35.73 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 -2.33 1.47 -0.17 2.41 -7.23 -1.26 0.00 120.40 113.29 3kr5 s VAL 421 Ca 0.00 -1.19 0.01 0.00 -1.81 0.00 0.00 61.98 58.99 3kr5 s VAL 421 Cb 0.00 -1.31 0.01 0.00 0.56 0.00 0.00 36.38 35.65 3kr5 s VAL 421 CO 0.00 0.08 -0.20 -0.70 -0.31 0.00 0.00 175.10 173.98 3kr5 s GLU 422 N -1.29 3.03 -0.10 4.82 2.12 -0.05 -0.58 118.70 126.65 3kr5 s GLU 422 Ca 0.05 -0.82 0.04 0.00 0.36 0.00 0.00 54.97 54.60 3kr5 s GLU 422 Cb -0.09 -2.55 -0.00 0.00 0.26 0.00 0.00 34.13 31.75 3kr5 s GLU 422 CO 0.02 -0.13 -0.24 0.42 -0.54 0.00 0.00 175.26 174.79 3kr5 s ILE 423 N 1.11 2.09 -0.19 -3.70 1.01 0.89 -0.60 121.20 121.81 3kr5 s ILE 423 Ca 0.00 -1.01 -0.06 0.00 0.00 0.00 0.00 60.65 59.58 3kr5 s ILE 423 Cb -0.14 -1.79 -0.03 0.00 0.01 0.00 0.00 42.46 40.50 3kr5 s ILE 423 CO -0.08 0.56 0.03 -1.00 0.00 0.00 0.00 174.94 174.45 3kr5 s HIS 424 N 0.33 3.15 -0.30 3.97 3.76 0.12 -0.32 115.29 126.02 3kr5 s HIS 424 Ca -0.19 -0.12 -0.07 0.00 -0.15 0.00 0.00 55.06 54.53 3kr5 s HIS 424 Cb -0.18 -2.07 0.01 0.00 1.11 0.00 0.00 32.58 31.45 3kr5 s HIS 424 CO 0.09 0.01 0.09 -0.06 -0.85 0.00 0.00 174.74 174.02 3kr5 s PHE 425 N 0.57 3.15 -0.02 1.40 0.08 0.13 0.57 117.98 123.87 3kr5 s PHE 425 Ca 0.01 -0.90 0.07 0.00 0.12 0.00 0.00 56.93 56.23 3kr5 s PHE 425 Cb -0.13 -2.27 -0.02 0.00 -0.57 0.00 0.00 43.02 40.03 3kr5 s PHE 425 CO 0.02 -0.55 -0.23 -0.51 -0.10 0.00 0.00 175.22 173.85 3kr5 s LEU 426 N 1.52 2.04 -0.17 -0.37 1.43 0.21 -0.51 118.68 122.83 3kr5 s LEU 426 Ca 0.03 -0.41 -0.08 0.00 -1.03 0.00 0.00 54.13 52.64 3kr5 s LEU 426 Cb -0.17 -1.17 0.06 0.00 0.03 0.00 0.00 46.19 44.94 3kr5 s LEU 426 CO 0.03 0.28 0.38 -0.55 0.23 0.00 0.00 176.35 176.72 3kr5 s SER 427 N -0.51 -0.38 -0.78 2.29 0.15 -0.29 -0.66 113.70 113.53 3kr5 s SER 427 Ca 0.08 0.85 -0.21 0.00 0.70 0.00 0.00 55.95 57.37 3kr5 s SER 427 Cb -0.09 0.84 0.09 0.00 -1.71 0.00 0.00 66.02 65.15 3kr5 s SER 427 CO -0.01 -0.20 1.05 0.00 1.20 0.00 0.00 173.24 175.28 3kr5 s ALA 428 N 1.69 3.18 -0.08 5.45 0.00 -1.26 0.23 121.76 130.97 3kr5 s ALA 428 Ca -0.07 -2.21 -0.16 0.00 0.00 0.00 0.00 51.96 49.53 3kr5 s ALA 428 Cb -0.10 -3.96 -0.05 0.00 0.00 0.00 0.00 23.12 19.01 3kr5 s ALA 428 CO -0.12 -2.90 0.40 0.08 0.00 0.00 0.00 175.76 173.22 3kr5 s VAL 429 N 3.61 5.15 0.24 0.00 1.01 -0.17 -4.08 120.40 126.17 3kr5 s VAL 429 Ca 0.27 0.80 -0.21 0.00 0.00 0.00 0.00 61.98 62.84 3kr5 s VAL 429 Cb -0.12 -3.72 0.07 0.00 0.00 0.00 0.00 36.38 32.61 3kr5 s VAL 429 CO 0.02 0.45 0.95 0.00 0.00 0.00 0.00 175.10 176.52 3kr5 s GLU 431 N -2.40 1.73 -0.63 0.00 2.12 -1.26 -1.06 118.70 117.20 3kr5 s GLU 431 Ca 0.18 -0.50 -0.17 0.00 0.36 0.00 0.00 54.97 54.84 3kr5 s GLU 431 Cb -0.03 -1.45 0.13 0.00 0.26 0.00 0.00 34.13 33.03 3kr5 s GLU 431 CO 0.07 0.12 0.68 1.21 -0.54 0.00 0.00 175.26 176.80 3kr5 s ASN 432 N 0.37 6.28 0.43 -1.70 2.47 -0.10 -4.26 114.94 118.43 3kr5 s ASN 432 Ca -0.10 -1.73 0.04 0.00 0.42 0.00 0.00 52.86 51.50 3kr5 s ASN 432 Cb -0.14 -2.27 -0.05 0.00 -1.45 0.00 0.00 41.25 37.34 3kr5 s ASN 432 CO 0.03 -0.98 0.03 -0.04 -3.72 0.00 0.00 177.10 172.43 3kr5 s MET 433 N 2.08 1.98 -0.22 0.43 -1.94 -1.26 -0.97 119.30 119.39 3kr5 s MET 433 Ca 0.11 -2.18 -0.03 0.00 -1.71 0.00 0.00 55.69 51.88 3kr5 s MET 433 Cb -0.23 -1.34 -0.00 0.00 2.01 0.00 0.00 34.83 35.27 3kr5 s MET 433 CO 0.02 -0.22 -0.05 0.08 -0.01 0.00 0.00 175.02 174.84 3kr5 s VAL 434 N -2.93 3.25 0.21 -6.03 1.01 -1.26 -4.40 120.40 110.24 3kr5 s VAL 434 Ca 0.25 -0.60 -0.21 0.00 0.00 0.00 0.00 61.98 61.42 3kr5 s VAL 434 Cb 0.06 -2.50 0.05 0.00 0.00 0.00 0.00 36.38 33.99 3kr5 s VAL 434 CO 0.12 0.39 0.63 -0.55 0.00 0.00 0.00 175.10 175.69 3kr5 s SER 435 N 1.45 -0.41 0.64 3.32 0.15 -1.26 -4.99 113.70 112.60 3kr5 s SER 435 Ca 0.05 -0.29 0.42 0.00 0.70 0.00 0.00 55.95 56.83 3kr5 s SER 435 Cb -0.15 0.64 2.21 0.00 -1.71 0.00 0.00 66.02 67.02 3kr5 s SER 435 CO -0.04 -1.11 2.30 0.07 1.20 0.00 0.00 173.24 175.66 3kr5 h LYS 436 N 2.03 0.00 -0.02 5.44 2.10 -1.97 -2.74 116.57 121.41 3kr5 h LYS 436 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 3kr5 h LYS 436 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 3kr5 h LYS 436 CO 0.33 0.00 -0.20 0.09 -2.00 0.00 0.00 179.45 177.67 3kr5 n ASN 437 N -3.12 2.09 -4.72 7.07 5.03 -1.26 -4.99 115.26 115.36 3kr5 n ASN 437 Ca -0.02 -1.57 -0.31 0.00 0.87 0.00 0.00 54.58 53.56 3kr5 n ASN 437 Cb 0.12 0.18 0.13 0.00 -1.02 0.00 0.00 39.78 39.19 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 -2.25 3.68 0.49 6.41 0.01 -1.04 -3.58 113.70 117.43 3kr5 s SER 438 Ca 0.26 1.80 -0.17 0.00 1.31 0.00 0.00 55.95 59.14 3kr5 s SER 438 Cb 0.19 -2.42 -0.08 0.00 0.21 0.00 0.00 66.02 63.91 3kr5 s SER 438 CO 0.43 -2.55 0.97 -0.72 0.41 0.00 0.00 173.24 171.78 3kr5 s TYR 439 N -2.83 3.42 0.17 2.43 1.13 -1.25 -4.82 117.35 115.60 3kr5 s TYR 439 Ca 0.63 1.48 0.06 0.00 -1.41 0.00 0.00 57.07 57.84 3kr5 s TYR 439 Cb -0.19 -2.79 -0.04 0.00 -1.10 0.00 0.00 41.96 37.84 3kr5 s TYR 439 CO 0.57 -0.30 0.07 1.03 -2.51 0.00 0.00 175.55 174.41 3kr5 s ARG 440 N -3.87 2.66 0.18 -3.49 0.52 -1.26 -4.57 118.95 109.12 3kr5 s ARG 440 Ca 0.59 -0.98 -0.33 0.00 -0.52 0.00 0.00 55.73 54.49 3kr5 s ARG 440 Cb -0.10 -2.51 -0.13 0.00 0.52 0.00 0.00 34.95 32.73 3kr5 s ARG 440 CO 0.27 0.47 1.61 -0.35 0.02 0.00 0.00 175.30 177.32 3kr5 n PRO 441 N -0.22 2.32 0.00 3.54 -0.04 -1.26 -1.87 135.00 137.47 3kr5 n PRO 441 Ca -0.09 0.83 0.00 0.00 -0.04 0.00 0.00 63.50 64.21 3kr5 n PRO 441 Cb 0.55 -2.62 0.00 0.00 -0.04 0.00 0.00 33.50 31.39 3kr5 n PRO 441 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kr5 n GLY 442 N 3.46 2.17 3.60 0.55 0.00 0.28 -5.01 105.19 110.24 3kr5 n GLY 442 Ca 0.16 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.72 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 1.53 -4.51 1.61 9.92 -0.78 -4.42 116.55 119.90 3kr5 n ASP 443 Ca 0.00 1.16 -0.36 0.00 -0.53 0.00 0.00 54.79 55.06 3kr5 n ASP 443 Cb 0.00 -1.29 -0.12 0.00 -0.64 0.00 0.00 41.12 39.08 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 -0.64 4.47 0.21 0.53 1.01 -1.26 -0.51 121.20 125.00 3kr5 s ILE 444 Ca 0.65 -0.13 0.09 0.00 0.00 0.00 0.00 60.65 61.26 3kr5 s ILE 444 Cb -0.74 -3.06 -0.05 0.00 0.01 0.00 0.00 42.46 38.62 3kr5 s ILE 444 CO 0.56 0.38 -0.17 0.27 0.00 0.00 0.00 174.94 175.98 3kr5 s ILE 445 N 1.20 1.93 -0.21 2.92 -4.36 0.25 -4.90 121.20 118.05 3kr5 s ILE 445 Ca 0.05 -2.15 -0.01 0.00 -0.26 0.00 0.00 60.65 58.27 3kr5 s ILE 445 Cb -0.14 -2.03 0.01 0.00 1.25 0.00 0.00 42.46 41.54 3kr5 s ILE 445 CO 0.03 -0.45 -0.12 -0.89 0.24 0.00 0.00 174.94 173.76 3kr5 s THR 446 N -2.54 2.71 0.83 8.37 2.01 -1.26 0.23 115.64 125.99 3kr5 s THR 446 Ca 0.22 -0.78 -0.11 0.00 0.31 0.00 0.00 61.69 61.33 3kr5 s THR 446 Cb -0.03 -2.22 0.09 0.00 0.01 0.00 0.00 72.50 70.34 3kr5 s THR 446 CO 0.08 0.44 1.09 0.00 -0.69 0.00 0.00 174.62 175.54 3kr5 s ALA 447 N 1.37 2.01 -0.17 7.40 0.00 -0.02 -2.17 121.76 130.17 3kr5 s ALA 447 Ca 0.04 -0.09 0.24 0.00 0.00 0.00 0.00 51.96 52.15 3kr5 s ALA 447 Cb -0.14 -3.16 1.25 0.00 0.00 0.00 0.00 23.12 21.07 3kr5 s ALA 447 CO -0.08 -1.94 1.74 0.66 0.00 0.00 0.00 175.76 176.15 3kr5 h SER 448 N -1.25 0.00 -0.57 0.00 4.64 -1.68 0.94 113.55 115.65 3kr5 h SER 448 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3kr5 h SER 448 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3kr5 h SER 448 CO 0.57 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.07 3kr5 n ASN 449 N -2.35 3.30 0.00 4.97 6.94 -1.26 -4.92 115.26 121.94 3kr5 n ASN 449 Ca -0.01 -2.09 0.00 0.00 -0.02 0.00 0.00 54.58 52.46 3kr5 n ASN 449 Cb 0.08 -0.42 0.00 0.00 -2.36 0.00 0.00 39.78 37.08 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 1.31 1.87 3.70 4.83 0.00 0.33 -5.02 105.19 112.21 3kr5 n GLY 450 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.30 4.29 0.14 1.61 1.02 -1.26 -4.76 119.74 120.48 3kr5 s LYS 451 Ca 0.00 2.04 -0.25 0.00 0.02 0.00 0.00 55.97 57.78 3kr5 s LYS 451 Cb 0.00 -3.46 -0.07 0.00 -0.52 0.00 0.00 37.83 33.78 3kr5 s LYS 451 CO 0.00 -0.54 0.76 0.95 -0.92 0.00 0.00 175.35 175.60 3kr5 s THR 452 N 1.95 4.46 -0.08 2.17 -4.23 -1.26 -0.84 115.64 117.80 3kr5 s THR 452 Ca 0.65 1.65 0.02 0.00 -1.18 0.00 0.00 61.69 62.84 3kr5 s THR 452 Cb -0.34 -4.12 0.01 0.00 1.34 0.00 0.00 72.50 69.39 3kr5 s THR 452 CO 0.28 0.50 -0.14 -0.63 -0.54 0.00 0.00 174.62 174.09 3kr5 s ILE 453 N -0.95 1.32 -0.23 2.99 1.01 0.14 -1.27 121.20 124.21 3kr5 s ILE 453 Ca 0.36 -0.57 -0.17 0.00 0.00 0.00 0.00 60.65 60.27 3kr5 s ILE 453 Cb -0.22 -1.20 -0.03 0.00 0.01 0.00 0.00 42.46 41.01 3kr5 s ILE 453 CO 0.25 0.40 0.46 -0.70 0.00 0.00 0.00 174.94 175.36 3kr5 s GLU 454 N 0.78 4.13 -0.46 2.79 2.12 0.16 -0.58 118.70 127.64 3kr5 s GLU 454 Ca -0.12 0.28 -0.27 0.00 0.36 0.00 0.00 54.97 55.22 3kr5 s GLU 454 Cb -0.16 -3.59 0.03 0.00 0.26 0.00 0.00 34.13 30.67 3kr5 s GLU 454 CO 0.02 -0.19 1.04 0.08 -0.54 0.00 0.00 175.26 175.67 3kr5 s VAL 455 N 1.80 4.35 -0.18 3.70 1.01 0.33 -1.35 120.40 130.05 3kr5 s VAL 455 Ca 0.21 1.06 0.19 0.00 0.00 0.00 0.00 61.98 63.44 3kr5 s VAL 455 Cb -0.15 -4.51 -0.05 0.00 0.00 0.00 0.00 36.38 31.67 3kr5 s VAL 455 CO 0.09 -0.89 0.99 1.23 0.00 0.00 0.00 175.10 176.52 3kr5 h GLY 456 N 10.84 0.00 -5.35 4.51 0.00 -1.91 0.81 103.07 111.97 3kr5 h GLY 456 Ca -0.23 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.14 3kr5 h GLY 456 CO 1.07 0.00 -0.21 0.21 0.00 0.00 0.00 176.54 177.62 3kr5 s ASN 457 N -5.67 -0.96 0.30 0.19 3.84 -1.26 -4.74 114.94 106.63 3kr5 s ASN 457 Ca -0.01 1.33 0.24 0.00 0.21 0.00 0.00 52.86 54.63 3kr5 s ASN 457 Cb 0.09 2.07 1.09 0.00 -0.55 0.00 0.00 41.25 43.95 3kr5 s ASN 457 CO 0.79 -0.23 1.72 0.71 -2.79 0.00 0.00 177.10 177.30 3kr5 h THR 458 N 6.04 0.00 -0.00 -5.21 1.35 -1.90 -0.95 112.91 112.24 3kr5 h THR 458 Ca -0.18 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 3kr5 h THR 458 Cb 1.11 0.82 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 3kr5 h THR 458 CO 0.13 0.00 -0.17 -0.67 -0.25 0.00 0.00 175.52 174.56 3kr5 n ASP 459 N -2.30 0.21 -2.70 5.36 2.03 -0.90 -3.46 116.55 114.79 3kr5 n ASP 459 Ca 0.01 0.12 -0.31 0.00 0.52 0.00 0.00 54.79 55.12 3kr5 n ASP 459 Cb 0.16 -0.21 -0.03 0.00 -0.72 0.00 0.00 41.12 40.32 3kr5 n ASP 459 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kr5 n ALA 460 N -1.43 6.50 0.06 -1.67 0.00 -0.36 -4.65 120.51 118.96 3kr5 n ALA 460 Ca 0.08 -3.39 -0.10 0.00 0.00 0.00 0.00 53.44 50.02 3kr5 n ALA 460 Cb 0.33 -2.19 -0.13 0.00 0.00 0.00 0.00 19.45 17.46 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 3.21 0.09 -0.31 0.00 9.09 -1.78 -3.36 114.58 121.52 3kr5 h GLU 461 Ca 0.46 -0.16 0.07 0.00 0.05 0.00 0.00 59.36 59.78 3kr5 h GLU 461 Cb 0.55 0.06 -0.08 0.00 -1.65 0.00 0.00 28.75 27.62 3kr5 h GLU 461 CO 1.04 1.00 -0.28 0.78 0.05 0.00 0.00 179.01 181.60 3kr5 h GLY 462 N 2.59 -0.20 2.00 1.06 0.00 -1.91 -0.42 103.07 106.18 3kr5 h GLY 462 Ca -0.10 0.36 -0.03 0.00 0.00 0.00 0.00 47.33 47.56 3kr5 h GLY 462 CO 0.14 -0.21 -0.13 0.07 0.00 0.00 0.00 176.54 176.42 3kr5 h ARG 463 N -0.26 0.00 -0.10 4.80 0.11 -1.94 0.26 114.38 117.26 3kr5 h ARG 463 Ca 0.15 0.00 -0.06 0.00 0.10 0.00 0.00 59.98 60.18 3kr5 h ARG 463 Cb 0.50 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.58 3kr5 h ARG 463 CO -0.46 0.13 -0.15 -0.07 0.10 0.00 0.00 179.97 179.51 3kr5 h LEU 464 N 0.00 0.31 -0.68 0.08 3.38 -1.28 -0.58 115.31 116.54 3kr5 h LEU 464 Ca -0.00 -0.53 -0.08 0.00 0.09 0.00 0.00 57.88 57.36 3kr5 h LEU 464 Cb 0.31 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.94 3kr5 h LEU 464 CO 0.02 0.78 0.11 0.71 0.09 0.00 0.00 178.44 180.14 3kr5 h THR 465 N -0.15 1.26 -0.25 0.22 1.35 -0.01 -2.90 112.91 112.44 3kr5 h THR 465 Ca 0.01 -1.05 -0.11 0.00 -0.55 0.00 0.00 66.41 64.71 3kr5 h THR 465 Cb 0.71 0.63 -0.01 0.00 -1.73 0.00 0.00 68.15 67.75 3kr5 h THR 465 CO 0.04 0.39 -0.30 -0.07 -0.25 0.00 0.00 175.52 175.33 3kr5 h LEU 466 N 1.05 0.52 -0.24 3.87 3.38 -0.55 -2.23 115.31 121.11 3kr5 h LEU 466 Ca 0.20 -0.19 0.06 0.00 0.09 0.00 0.00 57.88 58.04 3kr5 h LEU 466 Cb 0.45 -0.14 -0.07 0.00 0.09 0.00 0.00 40.66 40.98 3kr5 h LEU 466 CO 0.01 0.80 -0.32 0.00 0.09 0.00 0.00 178.44 179.02 3kr5 h ALA 467 N 1.24 -0.29 -0.23 1.53 0.00 -0.89 0.82 119.26 121.44 3kr5 h ALA 467 Ca 0.06 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 3kr5 h ALA 467 Cb 0.74 0.65 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 3kr5 h ALA 467 CO 0.06 -0.77 -0.23 -0.44 0.00 0.00 0.00 179.25 177.88 3kr5 h ASP 468 N -0.33 0.41 -0.22 0.00 3.32 -1.52 -1.67 116.42 116.41 3kr5 h ASP 468 Ca 0.13 -0.13 -0.09 0.00 0.02 0.00 0.00 57.03 56.96 3kr5 h ASP 468 Cb 0.54 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 3kr5 h ASP 468 CO -0.43 0.64 -0.15 0.00 -1.72 0.00 0.00 179.24 177.58 3kr5 h ALA 469 N 1.40 1.07 -0.20 3.45 0.00 -0.63 -1.62 119.26 122.74 3kr5 h ALA 469 Ca 0.06 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.55 3kr5 h ALA 469 Cb 0.60 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3kr5 h ALA 469 CO 0.04 0.57 -0.29 -0.07 0.00 0.00 0.00 179.25 179.50 3kr5 h LEU 470 N 0.58 0.60 -0.51 0.00 3.38 0.13 0.19 115.31 119.67 3kr5 h LEU 470 Ca 0.10 -0.52 0.06 0.00 0.09 0.00 0.00 57.88 57.61 3kr5 h LEU 470 Cb 0.59 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 3kr5 h LEU 470 CO 0.04 1.00 0.22 0.58 0.09 0.00 0.00 178.44 180.37 3kr5 h VAL 471 N 0.22 0.89 -0.17 1.22 2.07 -1.30 0.28 116.25 119.46 3kr5 h VAL 471 Ca 0.02 -0.15 0.01 0.00 0.82 0.00 0.00 66.70 67.40 3kr5 h VAL 471 Cb 0.87 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 3kr5 h VAL 471 CO 0.07 0.08 0.07 0.22 0.02 0.00 0.00 177.57 178.03 3kr5 h TYR 472 N 0.43 0.13 -0.52 1.57 3.20 -1.09 -1.69 116.97 119.00 3kr5 h TYR 472 Ca 0.24 0.01 0.01 0.00 3.14 0.00 0.00 58.73 62.13 3kr5 h TYR 472 Cb 0.21 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 3kr5 h TYR 472 CO -0.13 0.07 0.33 0.00 -1.64 0.00 0.00 178.16 176.79 3kr5 h ALA 473 N 1.10 0.66 -0.17 1.82 0.00 0.06 -2.24 119.26 120.49 3kr5 h ALA 473 Ca 0.07 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3kr5 h ALA 473 Cb 0.03 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3kr5 h ALA 473 CO -0.06 0.07 -0.24 1.49 0.00 0.00 0.00 179.25 180.51 3kr5 h GLU 474 N 0.67 0.30 0.00 0.00 4.81 -0.77 -1.00 114.58 118.59 3kr5 h GLU 474 Ca 0.20 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3kr5 h GLU 474 Cb -0.04 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.32 3kr5 h GLU 474 CO -0.06 0.52 0.00 0.87 -0.73 0.00 0.00 179.01 179.61 3kr5 h LYS 475 N 0.27 0.00 0.00 1.92 1.57 -0.70 -1.83 116.57 117.80 3kr5 h LYS 475 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3kr5 h LYS 475 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 3kr5 h LYS 475 CO 0.04 0.00 0.00 -0.07 -0.57 0.00 0.00 179.45 178.85 3kr5 h LEU 476 N 0.00 0.00 -2.49 2.94 3.38 -0.95 -3.48 115.31 114.71 3kr5 h LEU 476 Ca 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 3kr5 h LEU 476 Cb 0.22 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.04 3kr5 h LEU 476 CO 0.00 0.00 -0.33 0.61 0.09 0.00 0.00 178.44 178.81 3kr5 n GLY 477 N 0.34 0.10 4.00 0.83 0.00 -0.69 -5.06 105.19 104.71 3kr5 n GLY 477 Ca 0.02 -0.03 -0.18 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.15 3.65 -0.00 1.61 -7.23 -1.26 -4.94 120.40 109.07 3kr5 s VAL 478 Ca 0.13 -1.00 -0.02 0.00 -1.81 0.00 0.00 61.98 59.27 3kr5 s VAL 478 Cb -0.02 -3.25 -0.27 0.00 0.56 0.00 0.00 36.38 33.40 3kr5 s VAL 478 CO 0.29 -0.10 0.83 0.44 -0.31 0.00 0.00 175.10 176.26 3kr5 h ASP 479 N 0.80 0.37 -3.91 4.85 3.32 -0.37 -3.47 116.42 118.01 3kr5 h ASP 479 Ca -0.43 -0.53 -0.40 0.00 0.02 0.00 0.00 57.03 55.69 3kr5 h ASP 479 Cb 1.27 -0.12 -0.30 0.00 0.22 0.00 0.00 39.33 40.40 3kr5 h ASP 479 CO 0.50 1.45 -0.78 -0.31 -1.72 0.00 0.00 179.24 178.37 3kr5 s TYR 480 N -2.61 0.81 -0.20 4.55 2.02 -1.02 -3.83 117.35 117.07 3kr5 s TYR 480 Ca -0.09 -0.17 -0.02 0.00 -0.37 0.00 0.00 57.07 56.42 3kr5 s TYR 480 Cb 0.07 -0.56 0.00 0.00 -0.40 0.00 0.00 41.96 41.08 3kr5 s TYR 480 CO 0.85 -0.05 -0.11 0.42 -1.57 0.00 0.00 175.55 175.08 3kr5 s ILE 481 N 0.01 2.79 -0.16 2.71 1.01 -0.33 -0.52 121.20 126.71 3kr5 s ILE 481 Ca 0.00 -0.69 0.01 0.00 0.00 0.00 0.00 60.65 59.97 3kr5 s ILE 481 Cb -0.06 -2.23 0.02 0.00 0.01 0.00 0.00 42.46 40.20 3kr5 s ILE 481 CO -0.00 0.48 -0.20 -0.69 0.00 0.00 0.00 174.94 174.53 3kr5 s VAL 482 N 1.35 1.95 0.14 2.92 1.01 -0.41 -0.73 120.40 126.63 3kr5 s VAL 482 Ca 0.05 -0.89 0.05 0.00 0.00 0.00 0.00 61.98 61.19 3kr5 s VAL 482 Cb -0.14 -1.75 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 3kr5 s VAL 482 CO -0.07 0.52 0.10 1.51 0.00 0.00 0.00 175.10 177.16 3kr5 s ASP 483 N 1.13 5.39 -0.05 3.32 1.47 0.26 -0.42 116.67 127.76 3kr5 s ASP 483 Ca -0.00 -0.14 -0.02 0.00 1.18 0.00 0.00 52.55 53.57 3kr5 s ASP 483 Cb -0.14 -1.38 0.04 0.00 -0.34 0.00 0.00 42.92 41.10 3kr5 s ASP 483 CO -0.08 0.10 0.10 -0.51 0.68 0.00 0.00 175.17 175.47 3kr5 s ILE 484 N -1.63 -0.10 -0.18 2.11 2.07 0.85 -0.14 121.20 124.19 3kr5 s ILE 484 Ca 0.30 0.26 -0.19 0.00 -1.41 0.00 0.00 60.65 59.60 3kr5 s ILE 484 Cb -0.11 -0.19 0.05 0.00 0.13 0.00 0.00 42.46 42.34 3kr5 s ILE 484 CO 0.22 0.11 0.53 0.00 -1.91 0.00 0.00 174.94 173.89 3kr5 s ALA 485 N 1.47 -1.31 -1.35 1.50 0.00 -0.07 -1.23 121.76 120.77 3kr5 s ALA 485 Ca -0.05 1.43 -0.17 0.00 0.00 0.00 0.00 51.96 53.17 3kr5 s ALA 485 Cb -0.12 -0.78 0.06 0.00 0.00 0.00 0.00 23.12 22.28 3kr5 s ALA 485 CO -0.05 -0.26 1.88 0.25 0.00 0.00 0.00 175.76 177.58 3kr5 n THR 486 N 2.61 3.81 -0.04 0.00 -2.24 -1.26 -0.13 114.28 117.03 3kr5 n THR 486 Ca -0.14 -3.80 -0.22 0.00 -2.27 0.00 0.00 64.05 57.63 3kr5 n THR 486 Cb 0.56 -2.42 -0.13 0.00 -2.10 0.00 0.00 70.33 66.24 3kr5 n THR 486 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3kr5 n LEU 487 N 7.74 2.47 -3.81 3.22 7.94 -1.26 -4.72 117.00 128.59 3kr5 n LEU 487 Ca 0.50 0.23 -0.19 0.00 -1.11 0.00 0.00 56.01 55.45 3kr5 n LEU 487 Cb 0.44 -1.06 -0.17 0.00 0.53 0.00 0.00 43.42 43.17 3kr5 n LEU 487 CO 0.81 0.72 -0.38 0.42 -1.11 0.00 0.00 177.39 177.85 3kr5 s THR 488 N -2.51 0.22 0.58 1.96 -4.23 -1.26 -4.93 115.64 105.47 3kr5 s THR 488 Ca -0.26 0.10 0.28 0.00 -1.18 0.00 0.00 61.69 60.63 3kr5 s THR 488 Cb 0.07 -0.34 0.35 0.00 1.34 0.00 0.00 72.50 73.92 3kr5 s THR 488 CO 0.70 0.18 2.20 1.23 -0.54 0.00 0.00 174.62 178.39 3kr5 h GLY 489 N 7.53 0.00 1.41 3.99 0.00 -1.93 -2.02 103.07 112.05 3kr5 h GLY 489 Ca -0.35 0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.00 3kr5 h GLY 489 CO 0.41 0.00 0.27 0.00 0.00 0.00 0.00 176.54 177.22 3kr5 h ALA 490 N 1.93 1.46 -0.59 3.60 0.00 -1.95 -0.84 119.26 122.87 3kr5 h ALA 490 Ca 0.03 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.96 3kr5 h ALA 490 Cb 0.16 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3kr5 h ALA 490 CO -0.00 -0.32 0.39 0.52 0.00 0.00 0.00 179.25 179.84 3kr5 h MET 491 N 0.00 0.69 -0.35 0.00 2.86 -1.75 0.14 114.93 116.52 3kr5 h MET 491 Ca 0.04 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 3kr5 h MET 491 Cb 0.59 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 32.07 3kr5 h MET 491 CO -0.00 0.46 0.24 -0.07 1.06 0.00 0.00 176.91 178.59 3kr5 h LEU 492 N 0.71 0.27 0.00 1.22 3.38 -1.35 0.91 115.31 120.45 3kr5 h LEU 492 Ca 0.23 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.15 3kr5 h LEU 492 Cb 0.05 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 3kr5 h LEU 492 CO -0.06 0.18 -1.08 1.88 0.09 0.00 0.00 178.44 179.45 3kr5 h TYR 493 N 0.31 0.00 0.00 1.13 -1.99 -0.92 -3.22 116.97 112.28 3kr5 h TYR 493 Ca 0.15 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.88 3kr5 h TYR 493 Cb 0.20 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.93 3kr5 h TYR 493 CO -0.00 0.18 -0.30 -1.13 -0.00 0.00 0.00 178.16 176.91 3kr5 n SER 494 N -2.77 0.87 -0.03 3.88 3.41 -0.32 -4.80 113.62 113.87 3kr5 n SER 494 Ca -0.03 0.36 0.05 0.00 -0.26 0.00 0.00 58.87 58.99 3kr5 n SER 494 Cb 0.64 -0.66 -0.15 0.00 -0.26 0.00 0.00 64.21 63.79 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 -3.38 0.00 0.00 1.04 4.77 0.11 -5.09 117.00 114.45 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 0.16 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 3kr5 n LEU 495 CO 0.06 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 176.85 3kr5 n GLY 496 N 1.54 -0.17 0.57 -0.72 0.00 -0.02 -4.30 105.19 102.08 3kr5 n GLY 496 Ca -0.10 -1.49 0.12 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.12 2.61 -2.24 -1.26 -4.07 114.28 109.20 3kr5 n THR 497 Ca 0.00 -0.29 -0.18 0.00 -2.27 0.00 0.00 64.05 61.30 3kr5 n THR 497 Cb 0.00 1.19 -0.10 0.00 -2.10 0.00 0.00 70.33 69.32 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 0.20 2.11 -4.45 3.42 7.64 -1.26 -4.28 113.62 117.01 3kr5 n SER 498 Ca 0.11 -0.03 -0.33 0.00 1.01 0.00 0.00 58.87 59.62 3kr5 n SER 498 Cb 0.48 -0.44 -0.13 0.00 -1.01 0.00 0.00 64.21 63.11 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 -2.46 2.93 0.54 1.43 4.12 -1.26 -4.43 117.35 118.22 3kr5 s TYR 499 Ca -0.32 -0.43 -0.13 0.00 0.02 0.00 0.00 57.07 56.21 3kr5 s TYR 499 Cb 0.09 -1.90 -0.06 0.00 -1.52 0.00 0.00 41.96 38.57 3kr5 s TYR 499 CO 0.51 -0.10 0.97 0.00 0.02 0.00 0.00 175.55 176.95 3kr5 s ALA 500 N 0.31 3.13 -0.00 3.71 0.00 -0.34 -4.54 121.76 124.02 3kr5 s ALA 500 Ca -0.07 -0.01 -0.14 0.00 0.00 0.00 0.00 51.96 51.74 3kr5 s ALA 500 Cb -0.15 -3.03 -0.06 0.00 0.00 0.00 0.00 23.12 19.89 3kr5 s ALA 500 CO 0.04 -0.41 0.40 0.20 0.00 0.00 0.00 175.76 175.99 3kr5 s GLY 501 N -3.60 2.46 -0.10 0.00 0.00 -1.02 -0.32 107.32 104.75 3kr5 s GLY 501 Ca 0.56 -0.24 0.04 0.00 0.00 0.00 0.00 44.72 45.07 3kr5 s GLY 501 CO 0.41 0.11 -0.22 0.54 0.00 0.00 0.00 173.10 173.95 3kr5 s VAL 502 N -1.09 1.90 0.28 1.40 0.11 0.73 -0.51 120.40 123.23 3kr5 s VAL 502 Ca 0.24 -0.92 0.10 0.00 -2.93 0.00 0.00 61.98 58.47 3kr5 s VAL 502 Cb -0.16 -1.65 -0.05 0.00 -1.53 0.00 0.00 36.38 32.98 3kr5 s VAL 502 CO 0.13 0.52 -0.15 -0.36 -3.33 0.00 0.00 175.10 171.91 3kr5 s PHE 503 N 0.42 2.20 0.00 1.54 0.08 0.07 0.22 117.98 122.51 3kr5 s PHE 503 Ca -0.18 -0.44 0.00 0.00 0.12 0.00 0.00 56.93 56.43 3kr5 s PHE 503 Cb -0.17 -1.07 0.00 0.00 -0.57 0.00 0.00 43.02 41.21 3kr5 s PHE 503 CO 0.08 0.59 0.00 0.41 -0.10 0.00 0.00 175.22 176.20 3kr5 n GLY 504 N -0.62 0.00 1.08 4.36 0.00 -1.26 0.44 105.19 109.19 3kr5 n GLY 504 Ca -0.05 -0.90 0.11 0.00 0.00 0.00 0.00 46.02 45.17 3kr5 n GLY 504 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3kr5 n ASN 505 N 0.00 3.39 -3.64 1.61 0.23 -0.45 -4.79 115.26 111.61 3kr5 n ASN 505 Ca 0.00 -1.96 -0.14 0.00 -0.53 0.00 0.00 54.58 51.95 3kr5 n ASN 505 Cb 0.00 -0.28 -0.13 0.00 -2.08 0.00 0.00 39.78 37.29 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 -1.29 0.51 0.16 0.53 3.84 -1.26 -4.86 114.94 112.57 3kr5 s ASN 506 Ca 0.37 0.47 -0.13 0.00 0.21 0.00 0.00 52.86 53.78 3kr5 s ASN 506 Cb 0.21 0.61 0.04 0.00 -0.55 0.00 0.00 41.25 41.56 3kr5 s ASN 506 CO 0.29 -0.25 1.68 -0.33 -2.79 0.00 0.00 177.10 175.69 3kr5 h GLU 507 N 8.30 0.84 -0.38 0.43 5.08 -1.96 -1.86 114.58 125.03 3kr5 h GLU 507 Ca -0.14 -0.19 0.03 0.00 -1.00 0.00 0.00 59.36 58.05 3kr5 h GLU 507 Cb 1.12 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 30.22 3kr5 h GLU 507 CO 0.15 0.78 0.19 0.93 -1.00 0.00 0.00 179.01 180.07 3kr5 h GLU 508 N 0.74 0.39 -0.13 2.33 3.07 -1.99 -0.33 114.58 118.66 3kr5 h GLU 508 Ca 0.17 -0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 59.00 3kr5 h GLU 508 Cb 0.30 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 3kr5 h GLU 508 CO -0.00 0.26 0.06 1.25 -1.40 0.00 0.00 179.01 179.18 3kr5 h LEU 509 N 0.40 0.17 -0.47 1.33 5.85 -1.92 -0.90 115.31 119.77 3kr5 h LEU 509 Ca 0.16 -0.12 0.09 0.00 0.84 0.00 0.00 57.88 58.85 3kr5 h LEU 509 Cb 0.06 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 40.97 3kr5 h LEU 509 CO -0.11 0.25 -0.01 0.40 -0.34 0.00 0.00 178.44 178.63 3kr5 h ILE 510 N 0.08 0.62 -0.75 4.05 2.04 -1.14 -1.02 117.51 121.40 3kr5 h ILE 510 Ca 0.04 -0.04 0.02 0.00 1.00 0.00 0.00 64.86 65.89 3kr5 h ILE 510 Cb 0.12 0.51 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 3kr5 h ILE 510 CO -0.01 0.02 0.50 0.78 0.00 0.00 0.00 178.15 179.44 3kr5 h ASN 511 N 0.10 0.83 -0.45 1.72 2.35 -0.80 0.93 115.58 120.27 3kr5 h ASN 511 Ca 0.24 -0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.96 3kr5 h ASN 511 Cb 0.35 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 3kr5 h ASN 511 CO -0.40 0.58 0.24 0.11 -1.65 0.00 0.00 177.43 176.31 3kr5 h LYS 512 N 0.97 0.63 -0.66 0.81 1.57 -0.32 0.36 116.57 119.93 3kr5 h LYS 512 Ca 0.29 -0.08 0.02 0.00 -1.87 0.00 0.00 60.65 59.00 3kr5 h LYS 512 Cb -0.03 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.13 3kr5 h LYS 512 CO -0.07 0.52 0.43 0.82 -0.57 0.00 0.00 179.45 180.57 3kr5 h ILE 513 N 0.58 1.14 0.16 1.86 1.08 -0.36 -0.48 117.51 121.49 3kr5 h ILE 513 Ca 0.16 -0.30 0.01 0.00 -0.39 0.00 0.00 64.86 64.34 3kr5 h ILE 513 Cb 0.08 0.20 -0.02 0.00 -3.07 0.00 0.00 36.82 34.00 3kr5 h ILE 513 CO -0.02 0.16 -0.22 -0.07 -0.69 0.00 0.00 178.15 177.31 3kr5 h LEU 514 N 0.86 -0.60 -1.09 1.44 3.38 -0.31 0.41 115.31 119.41 3kr5 h LEU 514 Ca 0.25 0.06 0.11 0.00 0.09 0.00 0.00 57.88 58.39 3kr5 h LEU 514 Cb -0.05 0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.84 3kr5 h LEU 514 CO -0.07 -0.31 0.62 -0.61 0.09 0.00 0.00 178.44 178.15 3kr5 h GLN 515 N -0.44 0.95 -0.11 1.13 5.75 -0.68 0.14 115.11 121.85 3kr5 h GLN 515 Ca 0.01 -0.06 -0.12 0.00 -0.15 0.00 0.00 58.65 58.33 3kr5 h GLN 515 Cb 0.43 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 28.76 3kr5 h GLN 515 CO -0.09 0.63 -0.47 0.77 -2.65 0.00 0.00 178.83 177.02 3kr5 h SER 516 N 0.98 0.30 -0.11 -0.69 0.02 -0.38 0.12 113.55 113.78 3kr5 h SER 516 Ca 0.46 -0.14 0.01 0.00 -0.84 0.00 0.00 61.79 61.28 3kr5 h SER 516 Cb 0.42 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 3kr5 h SER 516 CO -0.22 0.73 0.03 -1.28 -1.14 0.00 0.00 176.83 174.95 3kr5 h SER 517 N 0.23 0.03 -0.57 3.07 0.87 0.18 -0.78 113.55 116.57 3kr5 h SER 517 Ca 0.01 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 3kr5 h SER 517 Cb 0.92 0.01 -0.03 0.00 -0.44 0.00 0.00 62.40 62.86 3kr5 h SER 517 CO 0.07 0.04 0.34 0.50 -0.53 0.00 0.00 176.83 177.25 3kr5 h LYS 518 N 0.09 0.78 0.00 2.24 3.64 0.02 -0.59 116.57 122.75 3kr5 h LYS 518 Ca 0.05 -0.08 -0.16 0.00 -1.27 0.00 0.00 60.65 59.19 3kr5 h LYS 518 Cb 0.03 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.66 3kr5 h LYS 518 CO -0.05 0.57 -0.91 1.79 -2.27 0.00 0.00 179.45 178.58 3kr5 h THR 519 N 0.77 1.02 0.00 1.00 1.35 -0.94 -3.19 112.91 112.92 3kr5 h THR 519 Ca 0.21 -2.54 0.00 0.00 -0.55 0.00 0.00 66.41 63.53 3kr5 h THR 519 Cb -0.00 2.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 3kr5 h THR 519 CO -0.04 0.58 -0.39 0.77 -0.25 0.00 0.00 175.52 176.20 3kr5 h SER 520 N 0.00 0.00 -2.50 5.36 4.64 -1.06 -3.46 113.55 116.52 3kr5 h SER 520 Ca -0.06 -0.04 -0.38 0.00 -0.47 0.00 0.00 61.79 60.84 3kr5 h SER 520 Cb 1.58 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.64 3kr5 h SER 520 CO 0.08 0.02 -0.47 0.59 -0.87 0.00 0.00 176.83 176.18 3kr5 n ASN 521 N -2.63 -5.41 -4.24 4.97 3.02 -0.24 -4.82 115.26 105.91 3kr5 n ASN 521 Ca 0.03 0.03 -0.42 0.00 -0.03 0.00 0.00 54.58 54.19 3kr5 n ASN 521 Cb 0.50 -4.48 -0.07 0.00 -0.61 0.00 0.00 39.78 35.12 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 -4.80 2.68 0.18 3.52 2.02 -1.17 -5.01 118.70 116.12 3kr5 s GLU 522 Ca 0.00 -1.82 -0.31 0.00 0.02 0.00 0.00 54.97 52.86 3kr5 s GLU 522 Cb 0.00 -4.05 -0.10 0.00 0.10 0.00 0.00 34.13 30.08 3kr5 s GLU 522 CO 0.00 -1.24 1.57 -2.14 0.02 0.00 0.00 175.26 173.48 3kr5 s PRO 523 N 1.31 4.21 -0.01 0.39 0.02 -1.26 -4.56 135.00 135.10 3kr5 s PRO 523 Ca 0.06 2.39 0.02 0.00 0.02 0.00 0.00 61.00 63.49 3kr5 s PRO 523 Cb -0.26 -3.13 -0.00 0.00 0.02 0.00 0.00 34.50 31.12 3kr5 s PRO 523 CO -0.00 -0.61 -0.06 0.08 -0.33 0.00 0.00 177.00 176.08 3kr5 s VAL 524 N 0.98 0.49 -0.03 3.83 1.01 -1.26 -1.19 120.40 124.22 3kr5 s VAL 524 Ca 0.69 -0.26 0.07 0.00 0.00 0.00 0.00 61.98 62.48 3kr5 s VAL 524 Cb -0.44 -0.42 -0.02 0.00 0.00 0.00 0.00 36.38 35.50 3kr5 s VAL 524 CO 0.33 0.14 -0.24 0.86 0.00 0.00 0.00 175.10 176.20 3kr5 s TRP 525 N -0.09 2.18 -0.15 5.22 -0.11 0.56 -4.90 118.94 121.66 3kr5 s TRP 525 Ca 0.02 -0.49 -0.29 0.00 1.22 0.00 0.00 56.10 56.55 3kr5 s TRP 525 Cb -0.03 -1.42 -0.01 0.00 -1.50 0.00 0.00 33.47 30.51 3kr5 s TRP 525 CO -0.00 -0.09 1.06 -0.46 -4.62 0.00 0.00 176.95 172.84 3kr5 s TRP 526 N -0.41 3.36 0.13 5.86 -0.00 -1.26 -0.19 118.94 126.42 3kr5 s TRP 526 Ca 0.05 1.46 0.10 0.00 -0.00 0.00 0.00 56.10 57.70 3kr5 s TRP 526 Cb -0.11 -3.27 -0.04 0.00 -0.00 0.00 0.00 33.47 30.05 3kr5 s TRP 526 CO 0.00 -0.56 -0.20 -0.51 -0.00 0.00 0.00 176.95 175.68 3kr5 s LEU 527 N 2.55 2.61 0.25 5.86 1.43 0.13 -4.90 118.68 126.62 3kr5 s LEU 527 Ca 0.48 -0.62 -0.21 0.00 -1.03 0.00 0.00 54.13 52.76 3kr5 s LEU 527 Cb -0.18 -1.46 -0.09 0.00 0.03 0.00 0.00 46.19 44.49 3kr5 s LEU 527 CO 0.14 0.17 0.77 -2.16 0.23 0.00 0.00 176.35 175.51 3kr5 s PRO 528 N -2.17 4.32 -0.54 1.29 0.04 -1.26 -4.26 135.00 132.41 3kr5 s PRO 528 Ca 0.17 0.96 -0.20 0.00 0.04 0.00 0.00 61.00 61.97 3kr5 s PRO 528 Cb -0.10 -2.85 0.06 0.00 0.04 0.00 0.00 34.50 31.65 3kr5 s PRO 528 CO 0.09 0.37 0.72 0.42 0.04 0.00 0.00 177.00 178.64 3kr5 s ILE 529 N -1.55 4.74 -0.49 0.56 1.01 -1.26 -4.80 121.20 119.41 3kr5 s ILE 529 Ca 0.45 -0.43 -0.23 0.00 0.00 0.00 0.00 60.65 60.43 3kr5 s ILE 529 Cb -0.17 -4.40 0.03 0.00 0.01 0.00 0.00 42.46 37.93 3kr5 s ILE 529 CO 0.21 -0.96 0.84 -0.63 0.00 0.00 0.00 174.94 174.40 3kr5 s ILE 530 N 2.97 4.57 0.43 2.92 1.01 -1.26 -4.91 121.20 126.93 3kr5 s ILE 530 Ca 0.18 0.34 0.29 0.00 0.00 0.00 0.00 60.65 61.45 3kr5 s ILE 530 Cb -0.19 -4.40 0.31 0.00 0.01 0.00 0.00 42.46 38.19 3kr5 s ILE 530 CO 0.12 -0.86 2.10 0.78 0.00 0.00 0.00 174.94 177.08 3kr5 h ASN 531 N 9.10 0.00 -0.16 3.58 2.35 -1.99 -2.07 115.58 126.38 3kr5 h ASN 531 Ca -0.25 0.00 0.05 0.00 -0.55 0.00 0.00 56.30 55.54 3kr5 h ASN 531 Cb 1.08 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.45 3kr5 h ASN 531 CO 1.01 0.10 0.16 -0.08 -1.65 0.00 0.00 177.43 176.96 3kr5 h GLU 532 N 0.00 0.00 0.00 0.81 4.81 -2.04 0.18 114.58 118.34 3kr5 h GLU 532 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3kr5 h GLU 532 Cb 0.29 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.67 3kr5 h GLU 532 CO 0.01 0.00 -0.14 0.66 -0.73 0.00 0.00 179.01 178.81 3kr5 n TYR 533 N -3.96 0.65 -0.34 0.92 0.53 -0.78 -3.96 117.16 110.23 3kr5 n TYR 533 Ca 0.01 0.19 0.20 0.00 -1.02 0.00 0.00 57.90 57.28 3kr5 n TYR 533 Cb 0.28 -0.78 0.44 0.00 -1.03 0.00 0.00 39.34 38.25 3kr5 n TYR 533 CO 0.00 0.00 0.00 -0.09 -1.02 0.00 0.00 176.86 175.75 3kr5 h ARG 534 N 0.00 0.48 0.00 -0.72 9.65 -1.11 -1.09 114.38 121.60 3kr5 h ARG 534 Ca 0.00 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.83 3kr5 h ARG 534 Cb 0.69 -0.11 -0.00 0.00 -1.39 0.00 0.00 29.97 29.15 3kr5 h ARG 534 CO 0.00 0.32 -0.11 0.00 2.80 0.00 0.00 179.97 182.98 3kr5 h ALA 535 N 1.68 1.48 0.00 2.80 0.00 -1.76 -0.67 119.26 122.78 3kr5 h ALA 535 Ca 0.62 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.43 3kr5 h ALA 535 Cb 1.36 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.13 3kr5 h ALA 535 CO -0.39 0.14 0.00 0.25 0.00 0.00 0.00 179.25 179.25 3kr5 n THR 536 N -3.92 0.24 0.50 0.00 -2.24 -0.41 -1.77 114.28 106.69 3kr5 n THR 536 Ca -0.02 0.06 0.11 0.00 -2.27 0.00 0.00 64.05 61.93 3kr5 n THR 536 Cb 0.21 -0.69 0.26 0.00 -2.10 0.00 0.00 70.33 68.00 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 -1.22 3.03 -4.57 3.22 4.77 -0.26 -4.16 117.00 117.80 3kr5 n LEU 537 Ca 0.12 -1.32 -0.41 0.00 -0.03 0.00 0.00 56.01 54.37 3kr5 n LEU 537 Cb 0.16 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 40.99 3kr5 n LEU 537 CO 0.16 0.66 1.30 0.20 -1.33 0.00 0.00 177.39 178.38 3kr5 s ASN 538 N -1.46 6.04 0.37 -1.43 0.01 -0.73 0.71 114.94 118.46 3kr5 s ASN 538 Ca 0.37 0.35 -0.24 0.00 -0.71 0.00 0.00 52.86 52.63 3kr5 s ASN 538 Cb 0.21 -2.54 -0.10 0.00 0.41 0.00 0.00 41.25 39.23 3kr5 s ASN 538 CO 0.30 -1.77 0.97 -0.55 -1.51 0.00 0.00 177.10 174.55 3kr5 s SER 539 N 4.84 7.09 0.27 -1.22 0.15 -1.26 -4.79 113.70 118.77 3kr5 s SER 539 Ca 0.55 1.85 0.10 0.00 0.70 0.00 0.00 55.95 59.16 3kr5 s SER 539 Cb -0.12 -2.57 0.34 0.00 -1.71 0.00 0.00 66.02 61.96 3kr5 s SER 539 CO 0.25 -0.25 1.60 0.50 1.20 0.00 0.00 173.24 176.54 3kr5 h LYS 540 N 2.69 0.01 0.00 5.44 1.63 -1.96 -3.40 116.57 120.98 3kr5 h LYS 540 Ca -0.48 -0.00 -0.12 0.00 -0.85 0.00 0.00 60.65 59.20 3kr5 h LYS 540 Cb 1.19 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.81 3kr5 h LYS 540 CO 0.63 0.63 -1.44 0.66 -3.45 0.00 0.00 179.45 176.49 3kr5 n TYR 541 N -3.79 0.00 -2.36 1.91 4.01 -1.26 -5.05 117.16 110.62 3kr5 n TYR 541 Ca -0.01 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.48 3kr5 n TYR 541 Cb 0.62 -0.29 0.12 0.00 -0.31 0.00 0.00 39.34 39.48 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 -2.15 3.26 0.27 -0.72 0.00 -1.26 -4.98 121.76 116.18 3kr5 s ALA 542 Ca -0.11 -1.44 0.04 0.00 0.00 0.00 0.00 51.96 50.45 3kr5 s ALA 542 Cb 0.03 -2.30 0.38 0.00 0.00 0.00 0.00 23.12 21.24 3kr5 s ALA 542 CO 0.16 -1.63 1.68 -0.44 0.00 0.00 0.00 175.76 175.52 3kr5 h ASP 543 N -0.78 0.39 -4.80 0.00 3.32 -1.50 -3.38 116.42 109.67 3kr5 h ASP 543 Ca -0.40 -0.16 -0.10 0.00 0.02 0.00 0.00 57.03 56.39 3kr5 h ASP 543 Cb 1.27 -0.11 -0.20 0.00 0.22 0.00 0.00 39.33 40.50 3kr5 h ASP 543 CO 0.44 0.74 -0.16 -0.51 -1.72 0.00 0.00 179.24 178.02 3kr5 s ILE 544 N -4.26 0.03 0.37 0.35 2.07 -0.70 -4.40 121.20 114.67 3kr5 s ILE 544 Ca -0.06 -0.29 -0.20 0.00 -1.41 0.00 0.00 60.65 58.69 3kr5 s ILE 544 Cb 0.13 -0.70 -0.10 0.00 0.13 0.00 0.00 42.46 41.92 3kr5 s ILE 544 CO 0.79 -0.16 0.89 0.20 -1.91 0.00 0.00 174.94 174.75 3kr5 s ASN 545 N -1.02 6.98 0.07 4.50 0.01 0.22 -0.66 114.94 125.04 3kr5 s ASN 545 Ca -0.11 1.61 -0.12 0.00 -0.71 0.00 0.00 52.86 53.53 3kr5 s ASN 545 Cb -0.04 -2.50 -0.24 0.00 0.41 0.00 0.00 41.25 38.88 3kr5 s ASN 545 CO 0.05 -0.25 1.16 -0.61 -1.51 0.00 0.00 177.10 175.94 3kr5 h GLN 546 N 2.31 0.58 -5.65 -0.60 4.15 -1.53 -3.46 115.11 110.92 3kr5 h GLN 546 Ca -0.48 -0.73 -0.47 0.00 0.77 0.00 0.00 58.65 57.74 3kr5 h GLN 546 Cb 1.18 0.23 -0.15 0.00 0.21 0.00 0.00 27.48 28.95 3kr5 h GLN 546 CO 0.63 1.31 -0.74 0.96 -1.93 0.00 0.00 178.83 179.06 3kr5 s ILE 547 N -3.09 1.76 0.52 2.39 -4.36 -1.26 -4.90 121.20 112.27 3kr5 s ILE 547 Ca -0.08 -2.14 -0.19 0.00 -0.26 0.00 0.00 60.65 57.97 3kr5 s ILE 547 Cb 0.07 -1.99 -0.07 0.00 1.25 0.00 0.00 42.46 41.71 3kr5 s ILE 547 CO 0.92 -0.53 1.07 -0.55 0.24 0.00 0.00 174.94 176.09 3kr5 s SER 548 N -3.17 6.04 -0.17 4.36 0.15 -1.26 -4.76 113.70 114.89 3kr5 s SER 548 Ca 0.21 2.00 -0.18 0.00 0.70 0.00 0.00 55.95 58.68 3kr5 s SER 548 Cb -0.02 -2.56 -0.22 0.00 -1.71 0.00 0.00 66.02 61.50 3kr5 s SER 548 CO 0.07 -0.99 0.32 0.77 1.20 0.00 0.00 173.24 174.61 3kr5 h SER 549 N 1.27 0.15 0.00 5.45 4.64 -2.01 -3.44 113.55 119.61 3kr5 h SER 549 Ca -0.49 -0.68 -0.02 0.00 -0.47 0.00 0.00 61.79 60.13 3kr5 h SER 549 Cb 1.23 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3kr5 h SER 549 CO 0.58 1.58 -0.31 0.77 -0.87 0.00 0.00 176.83 178.57 3kr5 h SER 550 N -0.65 0.00 -2.46 4.97 4.64 -1.94 -3.47 113.55 114.64 3kr5 h SER 550 Ca -0.35 -0.14 -0.56 0.00 -0.47 0.00 0.00 61.79 60.28 3kr5 h SER 550 Cb 1.53 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.61 3kr5 h SER 550 CO -0.09 0.73 1.23 -0.69 -0.87 0.00 0.00 176.83 177.14 3kr5 s VAL 551 N -1.95 3.32 -1.46 0.95 1.01 -1.26 -4.89 120.40 116.12 3kr5 s VAL 551 Ca -0.10 0.37 0.30 0.00 0.00 0.00 0.00 61.98 62.55 3kr5 s VAL 551 Cb 0.01 -3.30 0.47 0.00 0.00 0.00 0.00 36.38 33.56 3kr5 s VAL 551 CO 0.20 -0.10 1.96 0.29 0.00 0.00 0.00 175.10 177.45 3kr5 n LYS 552 N 7.74 0.47 -1.75 2.72 5.02 -1.26 -4.40 118.16 126.70 3kr5 n LYS 552 Ca 0.21 -0.08 -0.42 0.00 -2.02 0.00 0.00 58.31 56.00 3kr5 n LYS 552 Cb 0.43 -1.50 -0.00 0.00 -0.02 0.00 0.00 35.03 33.94 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 -1.20 5.34 0.20 7.82 0.00 -1.26 -4.75 120.51 126.65 3kr5 n ALA 553 Ca 0.14 -3.85 0.07 0.00 0.00 0.00 0.00 53.44 49.79 3kr5 n ALA 553 Cb 0.26 -3.55 0.40 0.00 0.00 0.00 0.00 19.45 16.57 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 6.18 0.00 -0.24 0.00 4.64 -1.98 -0.85 113.55 121.31 3kr5 h SER 554 Ca 0.56 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.77 3kr5 h SER 554 Cb 0.65 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 3kr5 h SER 554 CO 1.87 0.33 -0.22 0.28 -0.87 0.00 0.00 176.83 178.21 3kr5 h SER 555 N 0.00 0.71 -0.13 4.97 0.02 -1.94 0.27 113.55 117.44 3kr5 h SER 555 Ca -0.00 -0.25 -0.05 0.00 -0.84 0.00 0.00 61.79 60.65 3kr5 h SER 555 Cb 0.78 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.12 3kr5 h SER 555 CO 0.04 0.92 -0.11 0.40 -1.14 0.00 0.00 176.83 176.94 3kr5 h ILE 556 N 0.62 1.34 -0.64 3.27 2.04 -1.72 -1.86 117.51 120.57 3kr5 h ILE 556 Ca 0.09 -1.23 -0.01 0.00 1.00 0.00 0.00 64.86 64.70 3kr5 h ILE 556 Cb 0.71 1.87 -0.03 0.00 -0.74 0.00 0.00 36.82 38.63 3kr5 h ILE 556 CO 0.05 0.36 0.34 0.58 0.00 0.00 0.00 178.15 179.48 3kr5 h VAL 557 N -0.07 1.21 -0.75 1.67 2.07 -0.98 0.13 116.25 119.53 3kr5 h VAL 557 Ca 0.02 -0.53 0.04 0.00 0.82 0.00 0.00 66.70 67.05 3kr5 h VAL 557 Cb 0.62 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 30.73 3kr5 h VAL 557 CO 0.03 0.23 0.46 0.00 0.02 0.00 0.00 177.57 178.31 3kr5 h ALA 558 N 1.16 0.99 -0.38 1.67 0.00 -0.48 0.33 119.26 122.55 3kr5 h ALA 558 Ca 0.22 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3kr5 h ALA 558 Cb 0.06 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3kr5 h ALA 558 CO -0.03 0.24 0.18 0.77 0.00 0.00 0.00 179.25 180.41 3kr5 h SER 559 N 0.89 0.49 -0.55 0.00 0.02 -0.44 -0.60 113.55 113.37 3kr5 h SER 559 Ca 0.31 -0.12 0.08 0.00 -0.84 0.00 0.00 61.79 61.22 3kr5 h SER 559 Cb 0.06 -0.13 -0.07 0.00 0.14 0.00 0.00 62.40 62.41 3kr5 h SER 559 CO -0.13 0.47 0.19 -0.07 -1.14 0.00 0.00 176.83 176.15 3kr5 h LEU 560 N 0.47 0.17 0.08 5.07 3.38 -0.20 0.17 115.31 124.45 3kr5 h LEU 560 Ca 0.13 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.18 3kr5 h LEU 560 Cb 0.11 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3kr5 h LEU 560 CO -0.02 0.11 -0.12 0.15 0.09 0.00 0.00 178.44 178.66 3kr5 h PHE 561 N 0.36 -0.31 -0.92 1.13 3.04 -0.65 -2.78 116.94 116.80 3kr5 h PHE 561 Ca 0.27 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.22 3kr5 h PHE 561 Cb 0.32 0.13 -0.04 0.00 2.56 0.00 0.00 35.95 38.92 3kr5 h PHE 561 CO -0.18 -0.19 0.55 -0.07 -2.02 0.00 0.00 178.31 176.40 3kr5 h LEU 562 N -0.25 1.10 -1.95 0.59 3.38 -0.34 -1.97 115.31 115.88 3kr5 h LEU 562 Ca 0.02 -0.07 0.12 0.00 0.09 0.00 0.00 57.88 58.04 3kr5 h LEU 562 Cb 0.26 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3kr5 h LEU 562 CO -0.06 0.85 0.31 0.50 0.09 0.00 0.00 178.44 180.13 3kr5 h LYS 563 N 1.27 0.05 0.00 1.13 3.64 -0.42 0.31 116.57 122.55 3kr5 h LYS 563 Ca 0.33 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.71 3kr5 h LYS 563 Cb -0.05 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 3kr5 h LYS 563 CO -0.06 0.03 0.00 0.39 -2.27 0.00 0.00 179.45 177.54 3kr5 n GLU 564 N -4.42 0.01 -0.08 1.90 -0.58 -0.74 -2.29 120.64 114.44 3kr5 n GLU 564 Ca 0.07 0.36 0.05 0.00 -0.42 0.00 0.00 57.16 57.22 3kr5 n GLU 564 Cb 0.48 -1.50 0.08 0.00 -0.57 0.00 0.00 31.44 29.93 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 -1.48 0.20 -3.98 -0.32 3.01 0.11 -4.77 117.46 110.24 3kr5 n PHE 565 Ca 0.02 -0.27 -0.33 0.00 1.01 0.00 0.00 57.45 57.88 3kr5 n PHE 565 Cb 0.08 -0.02 -0.14 0.00 -0.01 0.00 0.00 39.48 39.39 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 -0.89 2.54 0.01 -4.37 1.01 -0.97 -3.71 120.40 114.02 3kr5 s VAL 566 Ca 0.15 -1.79 -0.20 0.00 0.00 0.00 0.00 61.98 60.14 3kr5 s VAL 566 Cb 0.09 -2.60 -0.20 0.00 0.00 0.00 0.00 36.38 33.66 3kr5 s VAL 566 CO 0.12 -0.26 1.17 1.56 0.00 0.00 0.00 175.10 177.68 3kr5 h GLN 567 N 7.82 0.39 -0.03 2.72 7.50 -1.86 -3.43 115.11 128.22 3kr5 h GLN 567 Ca -0.15 -0.34 -0.16 0.00 0.50 0.00 0.00 58.65 58.50 3kr5 h GLN 567 Cb 1.04 0.08 -0.24 0.00 0.05 0.00 0.00 27.48 28.41 3kr5 h GLN 567 CO 0.52 0.99 -0.59 -1.71 -1.50 0.00 0.00 178.83 176.54 3kr5 n ASN 568 N -4.33 -0.20 -4.11 1.46 5.15 -1.26 -5.10 115.26 106.87 3kr5 n ASN 568 Ca -0.09 -2.02 -0.20 0.00 -0.60 0.00 0.00 54.58 51.67 3kr5 n ASN 568 Cb 0.57 0.09 -0.14 0.00 -0.53 0.00 0.00 39.78 39.76 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 -0.24 1.00 0.08 -0.44 2.01 -1.26 -5.09 115.64 111.70 3kr5 s THR 569 Ca 0.14 -0.78 -0.33 0.00 0.31 0.00 0.00 61.69 61.03 3kr5 s THR 569 Cb 0.20 -0.88 -0.13 0.00 0.01 0.00 0.00 72.50 71.70 3kr5 s THR 569 CO -0.07 0.10 1.71 0.00 -0.69 0.00 0.00 174.62 175.67 3kr5 n ALA 570 N 2.28 1.39 -2.97 7.40 0.00 -1.25 -4.90 120.51 122.47 3kr5 n ALA 570 Ca -0.16 0.38 -0.12 0.00 0.00 0.00 0.00 53.44 53.53 3kr5 n ALA 570 Cb 0.55 -2.44 -0.14 0.00 0.00 0.00 0.00 19.45 17.43 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 2.12 -0.05 0.05 0.00 -0.00 -1.26 -1.19 118.94 118.61 3kr5 s TRP 571 Ca 0.83 0.14 0.02 0.00 -0.00 0.00 0.00 56.10 57.09 3kr5 s TRP 571 Cb -0.65 0.01 -0.03 0.00 -0.00 0.00 0.00 33.47 32.80 3kr5 s TRP 571 CO 0.42 -0.03 -0.08 0.00 -0.00 0.00 0.00 176.95 177.26 3kr5 s ALA 572 N 0.09 0.60 -0.10 5.86 0.00 0.09 -1.35 121.76 126.96 3kr5 s ALA 572 Ca -0.01 -0.80 -0.00 0.00 0.00 0.00 0.00 51.96 51.15 3kr5 s ALA 572 Cb -0.01 0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.18 3kr5 s ALA 572 CO -0.00 -0.03 -0.07 -1.58 0.00 0.00 0.00 175.76 174.08 3kr5 s HIS 573 N -1.51 1.32 -0.29 0.00 2.46 0.17 -0.58 115.29 116.86 3kr5 s HIS 573 Ca -0.09 -0.59 -0.05 0.00 0.47 0.00 0.00 55.06 54.80 3kr5 s HIS 573 Cb -0.09 -1.11 0.02 0.00 -0.13 0.00 0.00 32.58 31.27 3kr5 s HIS 573 CO 0.00 -0.43 0.03 0.42 -2.47 0.00 0.00 174.74 172.29 3kr5 s ILE 574 N 1.53 3.49 -0.50 0.89 1.01 0.81 -0.75 121.20 127.67 3kr5 s ILE 574 Ca 0.01 -0.94 -0.20 0.00 0.00 0.00 0.00 60.65 59.51 3kr5 s ILE 574 Cb -0.13 -2.84 0.05 0.00 0.01 0.00 0.00 42.46 39.55 3kr5 s ILE 574 CO -0.05 0.05 0.68 -0.62 0.00 0.00 0.00 174.94 175.00 3kr5 s ASP 575 N 1.40 6.26 -0.23 3.58 -1.08 0.33 -0.90 116.67 126.04 3kr5 s ASP 575 Ca 0.00 -0.73 0.14 0.00 -0.52 0.00 0.00 52.55 51.44 3kr5 s ASP 575 Cb -0.18 -2.32 0.58 0.00 -1.46 0.00 0.00 42.92 39.54 3kr5 s ASP 575 CO -0.00 -0.93 1.51 2.30 0.52 0.00 0.00 175.17 178.57 3kr5 n ILE 576 N 5.75 2.47 -0.37 4.11 -5.35 0.81 -2.44 119.36 124.34 3kr5 n ILE 576 Ca -0.04 -1.97 0.00 0.00 -0.27 0.00 0.00 62.75 60.47 3kr5 n ILE 576 Cb 0.46 -0.29 0.14 0.00 -1.74 0.00 0.00 39.64 38.22 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 1.93 1.32 0.00 -1.28 0.00 -1.82 -0.11 119.26 119.29 3kr5 h ALA 577 Ca 0.08 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 3kr5 h ALA 577 Cb 1.66 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 3kr5 h ALA 577 CO 0.35 0.52 -0.85 0.78 0.00 0.00 0.00 179.25 180.06 3kr5 h GLY 578 N 1.23 0.00 0.00 0.00 0.00 -1.79 -3.37 103.07 99.14 3kr5 h GLY 578 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 3kr5 h GLY 578 CO -0.13 0.00 -1.57 3.33 0.00 0.00 0.00 176.54 178.17 3kr5 n VAL 579 N -3.19 0.00 -0.17 4.60 0.24 -1.05 -4.06 118.33 114.70 3kr5 n VAL 579 Ca -0.01 -0.32 -0.09 0.00 -2.04 0.00 0.00 64.34 61.88 3kr5 n VAL 579 Cb 0.82 0.36 0.01 0.00 -1.47 0.00 0.00 33.84 33.56 3kr5 n VAL 579 CO 0.00 0.00 0.00 -1.28 -2.14 0.00 0.00 176.83 173.41 3kr5 h SER 580 N 0.00 0.75 -3.18 -1.34 0.87 -1.19 -3.42 113.55 106.04 3kr5 h SER 580 Ca 0.00 -0.23 -0.61 0.00 -1.23 0.00 0.00 61.79 59.72 3kr5 h SER 580 Cb 0.75 -0.20 -0.12 0.00 -0.44 0.00 0.00 62.40 62.39 3kr5 h SER 580 CO 0.00 0.79 -0.50 0.86 -0.53 0.00 0.00 176.83 177.44 3kr5 s TRP 581 N -5.31 3.40 -0.79 2.24 -0.11 -1.26 -1.27 118.94 115.84 3kr5 s TRP 581 Ca -0.13 0.31 -0.22 0.00 1.22 0.00 0.00 56.10 57.28 3kr5 s TRP 581 Cb 0.11 -2.11 0.08 0.00 -1.50 0.00 0.00 33.47 30.05 3kr5 s TRP 581 CO 0.79 0.33 1.12 1.21 -4.62 0.00 0.00 176.95 175.79 3kr5 s ASN 582 N 0.14 6.34 0.18 5.86 3.84 0.80 -4.88 114.94 127.21 3kr5 s ASN 582 Ca 0.08 -1.26 -0.12 0.00 0.21 0.00 0.00 52.86 51.78 3kr5 s ASN 582 Cb -0.11 -2.45 0.08 0.00 -0.55 0.00 0.00 41.25 38.21 3kr5 s ASN 582 CO -0.01 -1.41 1.74 -0.26 -2.79 0.00 0.00 177.10 174.37 3kr5 h PHE 583 N 9.47 0.91 -0.10 0.43 -1.00 -1.96 0.16 116.94 124.86 3kr5 h PHE 583 Ca -0.10 -0.06 -0.00 0.00 2.81 0.00 0.00 57.97 60.62 3kr5 h PHE 583 Cb 1.05 -0.28 -0.00 0.00 3.61 0.00 0.00 35.95 40.33 3kr5 h PHE 583 CO 1.09 0.72 0.06 0.87 -1.61 0.00 0.00 178.31 179.44 3kr5 h LYS 584 N 0.84 0.13 -0.00 1.51 6.56 -1.95 -2.87 116.57 120.80 3kr5 h LYS 584 Ca 0.20 -0.01 0.00 0.00 -1.06 0.00 0.00 60.65 59.78 3kr5 h LYS 584 Cb 0.18 -0.03 0.00 0.00 -0.57 0.00 0.00 32.23 31.82 3kr5 h LYS 584 CO -0.02 0.12 -0.06 0.00 -2.06 0.00 0.00 179.45 177.43 3kr5 n ALA 585 N -2.14 2.61 -3.59 3.86 0.00 -1.12 -4.94 120.51 115.20 3kr5 n ALA 585 Ca -0.05 -0.19 -0.21 0.00 0.00 0.00 0.00 53.44 52.98 3kr5 n ALA 585 Cb 0.05 -1.42 0.07 0.00 0.00 0.00 0.00 19.45 18.14 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 -1.21 -6.62 -3.70 0.00 1.74 0.54 -5.00 116.66 102.41 3kr5 n ARG 586 Ca 0.13 0.77 -0.10 0.00 -0.77 0.00 0.00 57.85 57.89 3kr5 n ARG 586 Cb 0.27 -5.71 -0.04 0.00 -1.02 0.00 0.00 32.46 25.96 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 -5.91 1.34 0.78 5.56 -2.85 -0.95 -5.02 119.74 112.68 3kr5 s LYS 587 Ca 0.26 -0.82 -0.11 0.00 -1.00 0.00 0.00 55.97 54.31 3kr5 s LYS 587 Cb -0.12 0.52 0.06 0.00 -2.06 0.00 0.00 37.83 36.23 3kr5 s LYS 587 CO 0.76 -0.57 1.08 -2.14 0.10 0.00 0.00 175.35 174.58 3kr5 s PRO 588 N -3.86 2.20 0.01 1.78 0.02 -1.26 -0.14 135.00 133.76 3kr5 s PRO 588 Ca 0.08 0.92 0.22 0.00 0.02 0.00 0.00 61.00 62.24 3kr5 s PRO 588 Cb -0.01 -1.91 -0.21 0.00 0.02 0.00 0.00 34.50 32.39 3kr5 s PRO 588 CO -0.05 -1.61 0.73 1.63 -0.33 0.00 0.00 177.00 177.37 3kr5 n LYS 589 N -3.47 0.43 -2.99 5.54 5.02 -0.39 -4.64 118.16 117.65 3kr5 n LYS 589 Ca 0.08 -0.09 -0.20 0.00 -2.02 0.00 0.00 58.31 56.07 3kr5 n LYS 589 Cb 0.54 -1.55 0.04 0.00 -0.02 0.00 0.00 35.03 34.04 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 1.33 -0.41 3.75 0.72 0.00 -1.26 -4.89 105.19 104.44 3kr5 n GLY 590 Ca -0.01 0.05 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.14 3.00 0.00 1.61 5.36 -1.26 -3.37 117.98 120.18 3kr5 s PHE 591 Ca 0.30 1.04 0.00 0.00 -0.96 0.00 0.00 56.93 57.31 3kr5 s PHE 591 Cb -0.13 -3.83 0.00 0.00 -0.34 0.00 0.00 43.02 38.72 3kr5 s PHE 591 CO 0.37 -2.67 0.00 0.41 -1.46 0.00 0.00 175.22 171.87 3kr5 n GLY 592 N 2.10 2.66 0.24 13.12 0.00 -1.26 -4.67 105.19 117.38 3kr5 n GLY 592 Ca 0.06 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 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 0.60 -0.26 1.61 2.07 -1.74 0.72 116.25 119.25 3kr5 h VAL 593 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 3kr5 h VAL 593 Cb 0.00 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 3kr5 h VAL 593 CO 0.00 0.00 0.06 0.03 0.02 0.00 0.00 177.57 177.68 3kr5 h ARG 594 N -0.52 0.41 -0.11 1.57 3.08 -1.90 -0.89 114.38 116.02 3kr5 h ARG 594 Ca -0.04 -0.10 0.03 0.00 0.07 0.00 0.00 59.98 59.94 3kr5 h ARG 594 Cb 0.41 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.35 3kr5 h ARG 594 CO 0.06 0.52 -0.51 1.25 -1.07 0.00 0.00 179.97 180.22 3kr5 h LEU 595 N 0.24 -1.60 -1.23 3.04 5.85 -1.81 0.44 115.31 120.25 3kr5 h LEU 595 Ca 0.08 0.19 0.03 0.00 0.84 0.00 0.00 57.88 59.02 3kr5 h LEU 595 Cb 0.29 0.63 -0.04 0.00 0.37 0.00 0.00 40.66 41.91 3kr5 h LEU 595 CO 0.00 -0.48 0.53 -0.07 -0.34 0.00 0.00 178.44 178.09 3kr5 h LEU 596 N -0.57 0.88 -0.29 2.25 3.38 -0.79 0.56 115.31 120.73 3kr5 h LEU 596 Ca 0.04 -0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.94 3kr5 h LEU 596 Cb 0.68 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 3kr5 h LEU 596 CO -0.42 0.61 -0.06 0.74 0.09 0.00 0.00 178.44 179.41 3kr5 h THR 597 N 1.03 1.28 -0.74 0.22 2.02 -0.54 0.22 112.91 116.39 3kr5 h THR 597 Ca 0.31 -1.08 0.03 0.00 0.77 0.00 0.00 66.41 66.45 3kr5 h THR 597 Cb -0.01 1.39 -0.05 0.00 -1.74 0.00 0.00 68.15 67.74 3kr5 h THR 597 CO -0.09 0.34 0.47 -0.33 0.37 0.00 0.00 175.52 176.28 3kr5 h GLU 598 N 0.32 0.88 -0.08 6.66 4.39 0.28 0.38 114.58 127.41 3kr5 h GLU 598 Ca 0.07 -0.05 0.02 0.00 0.34 0.00 0.00 59.36 59.74 3kr5 h GLU 598 Cb 0.54 -0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 3kr5 h GLU 598 CO 0.03 0.58 -0.01 0.35 -1.16 0.00 0.00 179.01 178.79 3kr5 h PHE 599 N 0.90 -0.03 -0.46 4.33 3.57 -0.47 0.23 116.94 125.01 3kr5 h PHE 599 Ca 0.30 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.80 3kr5 h PHE 599 Cb 0.03 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 3kr5 h PHE 599 CO -0.04 -0.03 0.26 0.28 -2.23 0.00 0.00 178.31 176.55 3kr5 h VAL 600 N 0.01 1.16 -0.32 1.41 2.07 -0.53 -2.63 116.25 117.44 3kr5 h VAL 600 Ca 0.04 -0.42 -0.15 0.00 0.82 0.00 0.00 66.70 67.00 3kr5 h VAL 600 Cb 0.05 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.41 3kr5 h VAL 600 CO -0.08 0.17 -0.39 -0.07 0.02 0.00 0.00 177.57 177.22 3kr5 h LEU 601 N 0.61 0.81 0.00 2.57 4.07 0.34 -3.24 115.31 120.47 3kr5 h LEU 601 Ca 0.16 -0.37 0.00 0.00 0.08 0.00 0.00 57.88 57.76 3kr5 h LEU 601 Cb 0.05 -0.23 0.00 0.00 1.08 0.00 0.00 40.66 41.56 3kr5 h LEU 601 CO -0.03 1.11 -0.50 0.59 -1.08 0.00 0.00 178.44 178.53 3kr5 n ASN 602 N -4.04 0.51 -0.17 -0.43 3.02 0.76 -5.04 115.26 109.87 3kr5 n ASN 602 Ca -0.02 -0.07 0.15 0.00 -0.03 0.00 0.00 54.58 54.61 3kr5 n ASN 602 Cb 0.53 0.17 0.80 0.00 -0.61 0.00 0.00 39.78 40.67 3kr5 n ASN 602 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97