#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kr5 s GLU 87 N 0.00 4.34 -0.09 -1.46 2.12 -1.26 -4.92 118.70 117.43 3kr5 s GLU 87 Ca 0.00 0.75 -0.28 0.00 0.36 0.00 0.00 54.97 55.80 3kr5 s GLU 87 Cb 0.00 -3.36 -0.02 0.00 0.26 0.00 0.00 34.13 31.01 3kr5 s GLU 87 CO 0.00 0.31 0.95 0.08 -0.54 0.00 0.00 175.26 176.06 3kr5 s VAL 88 N -0.01 4.84 0.35 3.70 1.01 -1.26 -5.01 120.40 124.01 3kr5 s VAL 88 Ca 0.32 1.93 -0.25 0.00 0.00 0.00 0.00 61.98 63.98 3kr5 s VAL 88 Cb -0.18 -4.26 -0.10 0.00 0.00 0.00 0.00 36.38 31.84 3kr5 s VAL 88 CO 0.17 0.06 0.95 -2.16 0.00 0.00 0.00 175.10 174.13 3kr5 s PRO 89 N 1.71 4.50 0.16 2.72 0.04 -1.26 -4.99 135.00 137.88 3kr5 s PRO 89 Ca 0.47 1.30 0.08 0.00 0.04 0.00 0.00 61.00 62.89 3kr5 s PRO 89 Cb -0.19 -2.68 -0.04 0.00 0.04 0.00 0.00 34.50 31.64 3kr5 s PRO 89 CO 0.19 0.20 -0.17 -0.65 0.04 0.00 0.00 177.00 176.62 3kr5 s GLN 90 N -2.27 1.24 -0.20 4.56 -0.21 -1.26 -5.03 119.66 116.49 3kr5 s GLN 90 Ca 0.53 -1.41 -0.05 0.00 0.02 0.00 0.00 55.36 54.45 3kr5 s GLN 90 Cb -0.17 -1.22 -0.21 0.00 1.00 0.00 0.00 33.01 32.41 3kr5 s GLN 90 CO 0.22 0.24 0.06 0.28 -2.12 0.00 0.00 175.29 173.96 3kr5 n VAL 91 N 0.23 1.63 -4.37 1.09 0.31 -1.26 -4.97 118.33 110.97 3kr5 n VAL 91 Ca -0.13 -0.54 -0.21 0.00 -0.01 0.00 0.00 64.34 63.45 3kr5 n VAL 91 Cb 0.58 -1.65 -0.13 0.00 -0.91 0.00 0.00 33.84 31.72 3kr5 n VAL 91 CO 0.00 0.00 0.00 0.68 -1.32 0.00 0.00 176.83 176.19 3kr5 s VAL 92 N -2.52 1.22 0.42 2.52 -7.23 -1.26 -5.03 120.40 108.51 3kr5 s VAL 92 Ca -0.29 -1.08 0.18 0.00 -1.81 0.00 0.00 61.98 58.98 3kr5 s VAL 92 Cb 0.08 -1.10 0.18 0.00 0.56 0.00 0.00 36.38 36.10 3kr5 s VAL 92 CO 0.66 0.01 1.50 0.77 -0.31 0.00 0.00 175.10 177.73 3kr5 h SER 93 N 4.82 0.00 -0.36 4.85 4.64 -2.03 0.11 113.55 125.58 3kr5 h SER 93 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 3kr5 h SER 93 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 3kr5 h SER 93 CO 0.43 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.57 3kr5 n LEU 94 N -2.47 2.22 -4.71 5.97 4.77 -1.26 -4.81 117.00 116.71 3kr5 n LEU 94 Ca -0.01 -1.11 -0.41 0.00 -0.03 0.00 0.00 56.01 54.44 3kr5 n LEU 94 Cb 0.47 -0.30 -0.04 0.00 -2.33 0.00 0.00 43.42 41.22 3kr5 n LEU 94 CO 0.08 0.49 0.57 -1.81 -1.33 0.00 0.00 177.39 175.40 3kr5 s ASP 95 N -0.91 7.20 0.53 -1.43 1.01 0.38 -5.02 116.67 118.44 3kr5 s ASP 95 Ca 0.25 1.45 -0.22 0.00 0.71 0.00 0.00 52.55 54.74 3kr5 s ASP 95 Cb 0.14 -2.50 -0.05 0.00 1.01 0.00 0.00 42.92 41.52 3kr5 s ASP 95 CO 0.16 -0.22 1.36 -2.16 0.21 0.00 0.00 175.17 174.52 3kr5 s PRO 96 N 1.04 3.23 -0.04 8.23 0.04 -1.26 -4.93 135.00 141.30 3kr5 s PRO 96 Ca 0.46 2.24 0.09 0.00 0.04 0.00 0.00 61.00 63.83 3kr5 s PRO 96 Cb -0.19 -2.31 0.25 0.00 0.04 0.00 0.00 34.50 32.28 3kr5 s PRO 96 CO 0.23 -1.12 1.20 0.25 0.04 0.00 0.00 177.00 177.59 3kr5 n THR 97 N -0.90 1.29 -3.69 1.26 -2.24 -1.26 -4.86 114.28 103.88 3kr5 n THR 97 Ca 0.10 -1.27 -0.05 0.00 -2.27 0.00 0.00 64.05 60.56 3kr5 n THR 97 Cb 0.45 0.31 -0.02 0.00 -2.10 0.00 0.00 70.33 68.97 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 -1.34 -0.25 0.01 3.42 1.04 -1.26 -4.62 113.70 110.70 3kr5 s SER 98 Ca 0.20 -0.31 -0.27 0.00 0.48 0.00 0.00 55.95 56.05 3kr5 s SER 98 Cb 0.14 0.49 -0.04 0.00 0.10 0.00 0.00 66.02 66.71 3kr5 s SER 98 CO 0.09 -0.88 0.86 -0.63 0.98 0.00 0.00 173.24 173.65 3kr5 s ILE 99 N -3.33 4.84 0.24 -1.02 1.01 -1.26 -4.85 121.20 116.84 3kr5 s ILE 99 Ca 0.10 1.80 -0.30 0.00 0.00 0.00 0.00 60.65 62.26 3kr5 s ILE 99 Cb -0.02 -4.20 -0.09 0.00 0.01 0.00 0.00 42.46 38.16 3kr5 s ILE 99 CO -0.01 0.25 1.21 -2.16 0.00 0.00 0.00 174.94 174.23 3kr5 s PRO 100 N 0.59 4.49 -0.10 2.79 0.04 -1.26 -5.01 135.00 136.55 3kr5 s PRO 100 Ca 0.45 1.94 0.02 0.00 0.04 0.00 0.00 61.00 63.45 3kr5 s PRO 100 Cb -0.20 -3.19 0.01 0.00 0.04 0.00 0.00 34.50 31.16 3kr5 s PRO 100 CO 0.24 -0.04 -0.16 0.42 0.04 0.00 0.00 177.00 177.50 3kr5 s ILE 101 N -0.55 1.50 -0.31 0.56 -1.09 -1.26 -4.94 121.20 115.11 3kr5 s ILE 101 Ca 0.50 -0.66 -0.12 0.00 -2.23 0.00 0.00 60.65 58.13 3kr5 s ILE 101 Cb -0.34 -1.35 -0.03 0.00 -1.58 0.00 0.00 42.46 39.15 3kr5 s ILE 101 CO 0.41 0.44 0.24 -1.61 -1.23 0.00 0.00 174.94 173.19 3kr5 s GLU 102 N 0.79 3.72 -0.19 2.79 2.02 -1.26 -4.95 118.70 121.62 3kr5 s GLU 102 Ca -0.11 -0.45 -0.02 0.00 0.02 0.00 0.00 54.97 54.41 3kr5 s GLU 102 Cb -0.16 -3.74 -0.22 0.00 0.10 0.00 0.00 34.13 30.12 3kr5 s GLU 102 CO 0.02 -0.33 0.08 0.66 0.02 0.00 0.00 175.26 175.70 3kr5 n TYR 103 N 5.13 0.64 -3.26 1.61 4.02 -1.26 -4.81 117.16 119.23 3kr5 n TYR 103 Ca -0.13 0.14 -0.42 0.00 -0.01 0.00 0.00 57.90 57.48 3kr5 n TYR 103 Cb 0.51 -1.08 -0.08 0.00 -0.02 0.00 0.00 39.34 38.66 3kr5 n TYR 103 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 176.86 175.05 3kr5 s ASN 104 N -6.77 6.28 0.27 7.72 0.01 -1.26 -5.03 114.94 116.15 3kr5 s ASN 104 Ca -0.28 -0.22 0.12 0.00 -0.71 0.00 0.00 52.86 51.77 3kr5 s ASN 104 Cb 0.08 -2.26 -0.05 0.00 0.41 0.00 0.00 41.25 39.43 3kr5 s ASN 104 CO 0.69 -0.52 -0.21 0.42 -1.51 0.00 0.00 177.10 175.97 3kr5 s THR 105 N 2.35 2.45 0.47 1.60 -4.23 -1.26 -4.98 115.64 112.05 3kr5 s THR 105 Ca 0.17 -2.35 0.38 0.00 -1.18 0.00 0.00 61.69 58.71 3kr5 s THR 105 Cb -0.16 -2.27 0.38 0.00 1.34 0.00 0.00 72.50 71.79 3kr5 s THR 105 CO 0.14 -0.36 2.16 -0.65 -0.54 0.00 0.00 174.62 175.37 3kr5 h PRO 106 N 2.41 0.00 0.87 3.99 0.11 -1.99 -0.46 132.00 136.93 3kr5 h PRO 106 Ca -0.41 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.66 3kr5 h PRO 106 Cb 1.25 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.37 3kr5 h PRO 106 CO 0.58 0.00 -0.42 0.82 -0.21 0.00 0.00 178.00 178.78 3kr5 h ILE 107 N 0.00 0.00 -1.45 4.15 1.08 -1.93 -3.07 117.51 116.29 3kr5 h ILE 107 Ca 0.00 -0.08 0.42 0.00 -0.39 0.00 0.00 64.86 64.81 3kr5 h ILE 107 Cb 0.08 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 33.77 3kr5 h ILE 107 CO 0.00 0.00 1.17 1.41 -0.69 0.00 0.00 178.15 180.04 3kr5 n HIS 108 N -5.36 0.00 0.72 1.37 8.25 -0.18 0.99 115.22 121.00 3kr5 n HIS 108 Ca -0.14 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.40 3kr5 n HIS 108 Cb 0.46 -0.36 0.23 0.00 1.12 0.00 0.00 29.99 31.44 3kr5 n HIS 108 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 3kr5 n ASP 109 N -3.43 2.26 -4.60 0.41 8.00 -1.16 -4.85 116.55 113.18 3kr5 n ASP 109 Ca 0.33 -1.94 -0.42 0.00 0.71 0.00 0.00 54.79 53.46 3kr5 n ASP 109 Cb 1.61 -0.25 -0.05 0.00 -0.02 0.00 0.00 41.12 42.41 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 -1.50 4.74 -0.20 0.53 1.01 0.28 -4.74 121.20 121.33 3kr5 s ILE 110 Ca 0.30 1.03 -0.29 0.00 0.00 0.00 0.00 60.65 61.69 3kr5 s ILE 110 Cb 0.16 -4.20 0.00 0.00 0.01 0.00 0.00 42.46 38.44 3kr5 s ILE 110 CO 0.22 -0.37 1.04 -0.54 0.00 0.00 0.00 174.94 175.29 3kr5 s LYS 111 N 3.08 4.29 -0.12 2.79 3.01 0.93 -4.84 119.74 128.89 3kr5 s LYS 111 Ca 0.32 1.38 -0.04 0.00 -1.01 0.00 0.00 55.97 56.63 3kr5 s LYS 111 Cb -0.13 -3.62 -0.03 0.00 -1.01 0.00 0.00 37.83 33.03 3kr5 s LYS 111 CO 0.15 -0.56 0.02 0.08 0.51 0.00 0.00 175.35 175.55 3kr5 s VAL 112 N 2.95 4.44 -0.04 3.17 1.01 -1.26 -0.27 120.40 130.40 3kr5 s VAL 112 Ca 0.46 -0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.27 3kr5 s VAL 112 Cb -0.16 -2.91 0.01 0.00 0.00 0.00 0.00 36.38 33.32 3kr5 s VAL 112 CO 0.09 0.56 -0.11 -1.10 0.00 0.00 0.00 175.10 174.55 3kr5 s GLN 113 N -0.48 1.26 -0.16 2.72 -1.52 0.43 -4.96 119.66 116.95 3kr5 s GLN 113 Ca 0.09 -0.36 -0.03 0.00 -1.95 0.00 0.00 55.36 53.12 3kr5 s GLN 113 Cb -0.12 -1.12 -0.02 0.00 -0.22 0.00 0.00 33.01 31.53 3kr5 s GLN 113 CO 0.02 0.09 -0.07 0.08 -0.25 0.00 0.00 175.29 175.16 3kr5 s VAL 114 N 0.37 3.47 0.10 1.09 1.01 -1.26 -0.36 120.40 124.81 3kr5 s VAL 114 Ca -0.07 -0.49 0.10 0.00 0.00 0.00 0.00 61.98 61.51 3kr5 s VAL 114 Cb -0.12 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.71 3kr5 s VAL 114 CO 0.02 0.48 -0.25 -0.31 0.00 0.00 0.00 175.10 175.04 3kr5 s TYR 115 N 0.66 2.12 0.29 5.22 1.51 -0.48 -4.93 117.35 121.73 3kr5 s TYR 115 Ca -0.04 -0.39 -0.29 0.00 -1.01 0.00 0.00 57.07 55.33 3kr5 s TYR 115 Cb -0.15 -1.18 -0.10 0.00 -0.11 0.00 0.00 41.96 40.42 3kr5 s TYR 115 CO 0.02 0.24 1.26 0.34 -1.11 0.00 0.00 175.55 176.31 3kr5 s ASP 116 N -1.77 6.91 0.21 2.29 -1.08 -1.24 -1.38 116.67 120.61 3kr5 s ASP 116 Ca 0.11 2.53 -0.07 0.00 -0.52 0.00 0.00 52.55 54.60 3kr5 s ASP 116 Cb -0.10 -2.63 0.16 0.00 -1.46 0.00 0.00 42.92 38.89 3kr5 s ASP 116 CO 0.04 -0.45 1.71 -0.29 0.52 0.00 0.00 175.17 176.71 3kr5 h ILE 117 N 3.23 1.26 -3.59 4.11 2.10 -1.56 -3.41 117.51 119.65 3kr5 h ILE 117 Ca -0.47 -1.02 -0.56 0.00 1.08 0.00 0.00 64.86 63.89 3kr5 h ILE 117 Cb 1.22 0.65 0.12 0.00 -1.09 0.00 0.00 36.82 37.73 3kr5 h ILE 117 CO 0.69 0.38 0.51 0.29 -1.08 0.00 0.00 178.15 178.93 3kr5 n LYS 118 N -4.22 1.93 0.00 2.19 5.02 -1.26 -1.87 118.16 119.96 3kr5 n LYS 118 Ca 0.04 0.69 0.00 0.00 -2.02 0.00 0.00 58.31 57.02 3kr5 n LYS 118 Cb 0.29 -2.40 0.00 0.00 -0.02 0.00 0.00 35.03 32.89 3kr5 n LYS 118 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kr5 n GLY 119 N 0.80 2.22 0.00 0.72 0.00 -1.26 -4.96 105.19 102.71 3kr5 n GLY 119 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3kr5 n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kr5 n GLY 120 N -0.48 0.03 3.47 -0.02 0.00 -0.78 -4.98 105.19 102.43 3kr5 n GLY 120 Ca 0.00 -1.83 -0.33 0.00 0.00 0.00 0.00 46.02 43.86 3kr5 n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kr5 s ASN 122 N -0.73 6.91 -0.26 0.00 0.01 -1.26 0.61 114.94 120.22 3kr5 s ASN 122 Ca 0.11 1.08 0.01 0.00 -0.71 0.00 0.00 52.86 53.35 3kr5 s ASN 122 Cb -0.11 -2.33 0.07 0.00 0.41 0.00 0.00 41.25 39.30 3kr5 s ASN 122 CO 0.00 0.15 -0.01 -0.69 -1.51 0.00 0.00 177.10 175.04 3kr5 s VAL 123 N -0.34 1.49 0.00 1.60 1.01 -1.26 -4.92 120.40 117.98 3kr5 s VAL 123 Ca 0.28 -1.37 0.00 0.00 0.00 0.00 0.00 61.98 60.90 3kr5 s VAL 123 Cb -0.18 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.34 3kr5 s VAL 123 CO 0.15 -0.26 0.00 -0.62 0.00 0.00 0.00 175.10 174.38 3kr5 n GLU 124 N 4.66 0.06 -4.21 2.72 -0.58 -1.26 -4.87 120.64 117.15 3kr5 n GLU 124 Ca -0.08 0.00 -0.14 0.00 -0.42 0.00 0.00 57.16 56.51 3kr5 n GLU 124 Cb 0.44 -0.80 -0.09 0.00 -0.57 0.00 0.00 31.44 30.42 3kr5 n GLU 124 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 3kr5 s GLU 125 N -1.60 1.46 1.15 3.49 -1.05 -1.26 -4.83 118.70 116.05 3kr5 s GLU 125 Ca 0.00 -1.75 0.00 0.00 -0.15 0.00 0.00 54.97 53.07 3kr5 s GLU 125 Cb 0.00 0.31 0.00 0.00 -0.44 0.00 0.00 34.13 34.00 3kr5 s GLU 125 CO 0.00 -0.52 0.00 0.41 0.95 0.00 0.00 175.26 176.10 3kr5 n GLY 126 N -0.41 1.83 3.09 -3.83 0.00 -1.26 -4.53 105.19 100.07 3kr5 n GLY 126 Ca 0.04 -0.23 -0.28 0.00 0.00 0.00 0.00 46.02 45.55 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 1.79 -0.25 0.99 2.96 -0.67 -0.88 118.68 122.62 3kr5 s LEU 127 Ca 0.00 -0.41 -0.08 0.00 -0.22 0.00 0.00 54.13 53.41 3kr5 s LEU 127 Cb 0.00 -1.07 -0.04 0.00 0.50 0.00 0.00 46.19 45.58 3kr5 s LEU 127 CO 0.00 0.06 0.10 -0.89 -1.32 0.00 0.00 176.35 174.30 3kr5 s THR 128 N 0.68 4.62 -0.20 3.68 2.01 0.41 0.54 115.64 127.38 3kr5 s THR 128 Ca -0.13 -0.07 -0.04 0.00 0.31 0.00 0.00 61.69 61.76 3kr5 s THR 128 Cb -0.16 -3.17 -0.02 0.00 0.01 0.00 0.00 72.50 69.17 3kr5 s THR 128 CO 0.03 0.32 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.62 3kr5 s ILE 129 N 1.57 3.58 0.01 1.82 -1.09 0.16 -0.88 121.20 126.38 3kr5 s ILE 129 Ca 0.06 -0.44 -0.24 0.00 -2.23 0.00 0.00 60.65 57.80 3kr5 s ILE 129 Cb -0.15 -2.61 -0.05 0.00 -1.58 0.00 0.00 42.46 38.07 3kr5 s ILE 129 CO 0.05 0.44 0.75 -0.36 -1.23 0.00 0.00 174.94 174.59 3kr5 s PHE 130 N 1.12 3.69 -0.33 3.97 0.40 0.36 0.54 117.98 127.72 3kr5 s PHE 130 Ca 0.02 1.41 -0.15 0.00 -0.60 0.00 0.00 56.93 57.60 3kr5 s PHE 130 Cb -0.15 -2.82 -0.01 0.00 0.51 0.00 0.00 43.02 40.56 3kr5 s PHE 130 CO 0.00 0.22 0.38 -0.51 0.70 0.00 0.00 175.22 176.01 3kr5 s LEU 131 N 0.19 4.37 0.28 -0.37 1.43 0.12 -1.47 118.68 123.24 3kr5 s LEU 131 Ca 0.38 -0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.37 3kr5 s LEU 131 Cb -0.20 -2.38 -0.06 0.00 0.03 0.00 0.00 46.19 43.59 3kr5 s LEU 131 CO 0.22 -0.33 0.08 0.68 0.23 0.00 0.00 176.35 177.22 3kr5 s VAL 132 N 2.07 0.79 0.32 -1.59 -7.23 -1.11 -0.79 120.40 112.86 3kr5 s VAL 132 Ca 0.13 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.31 3kr5 s VAL 132 Cb -0.16 -2.67 -0.00 0.00 0.56 0.00 0.00 36.38 34.11 3kr5 s VAL 132 CO 0.12 -0.02 0.39 -0.46 -0.31 0.00 0.00 175.10 174.81 3kr5 n ASN 133 N -0.53 -1.07 -3.43 4.85 0.23 -1.26 0.00 115.26 114.05 3kr5 n ASN 133 Ca -0.01 -2.81 -0.26 0.00 -0.53 0.00 0.00 54.58 50.97 3kr5 n ASN 133 Cb 0.66 2.09 -0.11 0.00 -2.08 0.00 0.00 39.78 40.35 3kr5 n ASN 133 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 3kr5 s ASN 134 N -3.02 2.41 -1.57 0.53 3.84 0.24 -4.74 114.94 112.62 3kr5 s ASN 134 Ca 0.29 -2.10 -0.10 0.00 0.21 0.00 0.00 52.86 51.17 3kr5 s ASN 134 Cb -0.00 -0.15 -0.09 0.00 -0.55 0.00 0.00 41.25 40.46 3kr5 s ASN 134 CO 0.21 -0.29 2.91 -0.81 -2.79 0.00 0.00 177.10 176.34 3kr5 n PRO 135 N 4.00 3.59 -3.73 0.43 -0.05 -1.26 -4.24 135.00 133.73 3kr5 n PRO 135 Ca 0.13 -2.14 -0.13 0.00 -0.05 0.00 0.00 63.50 61.31 3kr5 n PRO 135 Cb 0.40 -2.77 -0.10 0.00 -0.05 0.00 0.00 33.50 30.97 3kr5 n PRO 135 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 175.50 173.45 3kr5 s GLU 138 N 2.25 0.44 -0.01 0.54 2.12 -1.26 -4.93 118.70 117.84 3kr5 s GLU 138 Ca 0.68 0.59 0.00 0.00 0.36 0.00 0.00 54.97 56.60 3kr5 s GLU 138 Cb 0.18 0.17 0.00 0.00 0.26 0.00 0.00 34.13 34.74 3kr5 s GLU 138 CO -0.06 -0.08 0.00 0.09 -0.54 0.00 0.00 175.26 174.68 3kr5 n ASN 139 N 3.15 -0.82 -4.43 -1.70 4.13 -1.26 -4.93 115.26 109.39 3kr5 n ASN 139 Ca -0.15 0.39 -0.29 0.00 1.68 0.00 0.00 54.58 56.20 3kr5 n ASN 139 Cb 0.57 -0.92 0.15 0.00 -1.54 0.00 0.00 39.78 38.04 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 -1.79 1.71 0.68 7.41 0.00 -1.26 -4.56 107.32 109.52 3kr5 s GLY 140 Ca 0.00 -1.00 -0.15 0.00 0.00 0.00 0.00 44.72 43.57 3kr5 s GLY 140 CO 0.00 -0.34 1.15 2.56 0.00 0.00 0.00 173.10 176.47 3kr5 s PRO 141 N -5.76 2.54 0.03 2.90 0.04 -1.26 -1.15 135.00 132.34 3kr5 s PRO 141 Ca 0.69 1.56 -0.30 0.00 0.04 0.00 0.00 61.00 62.99 3kr5 s PRO 141 Cb -0.07 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.51 3kr5 s PRO 141 CO 0.51 -1.48 1.44 0.08 0.04 0.00 0.00 177.00 177.59 3kr5 s VAL 142 N -2.16 3.54 -0.12 -0.36 1.01 0.30 -4.55 120.40 118.06 3kr5 s VAL 142 Ca 0.70 0.97 0.02 0.00 0.00 0.00 0.00 61.98 63.68 3kr5 s VAL 142 Cb -0.24 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.53 3kr5 s VAL 142 CO 0.42 0.01 -0.19 -0.75 0.00 0.00 0.00 175.10 174.59 3kr5 s LYS 143 N 2.25 2.60 -0.37 2.72 2.20 -1.26 -3.24 119.74 124.64 3kr5 s LYS 143 Ca 0.66 -0.70 -0.13 0.00 -0.36 0.00 0.00 55.97 55.43 3kr5 s LYS 143 Cb -0.34 -2.12 0.01 0.00 -1.51 0.00 0.00 37.83 33.87 3kr5 s LYS 143 CO 0.28 -0.01 0.26 0.42 -0.36 0.00 0.00 175.35 175.94 3kr5 s ILE 144 N 0.82 5.12 -0.04 5.43 -1.09 -1.26 -4.87 121.20 125.32 3kr5 s ILE 144 Ca -0.09 -0.52 -0.23 0.00 -2.23 0.00 0.00 60.65 57.58 3kr5 s ILE 144 Cb -0.16 -3.76 -0.17 0.00 -1.58 0.00 0.00 42.46 36.80 3kr5 s ILE 144 CO -0.00 -0.17 0.99 0.28 -1.23 0.00 0.00 174.94 174.81 3kr5 h SER 145 N 8.53 -0.19 -1.24 3.58 0.02 -1.97 -3.48 113.55 118.80 3kr5 h SER 145 Ca -0.29 -0.34 -0.75 0.00 -0.84 0.00 0.00 61.79 59.57 3kr5 h SER 145 Cb 1.13 0.05 0.05 0.00 0.14 0.00 0.00 62.40 63.77 3kr5 h SER 145 CO 0.68 0.32 0.21 -1.20 -1.14 0.00 0.00 176.83 175.71 3kr5 n SER 146 N -4.95 0.60 -4.77 3.07 7.64 -1.26 -4.96 113.62 108.99 3kr5 n SER 146 Ca -0.08 1.15 -0.39 0.00 1.01 0.00 0.00 58.87 60.56 3kr5 n SER 146 Cb 0.27 -1.02 -0.02 0.00 -1.01 0.00 0.00 64.21 62.43 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 0.23 4.13 -0.10 1.43 0.00 -1.26 -4.93 119.74 119.23 3kr5 s LYS 147 Ca 0.89 1.88 0.00 0.00 0.00 0.00 0.00 55.97 58.74 3kr5 s LYS 147 Cb -1.16 -2.76 0.02 0.00 0.00 0.00 0.00 37.83 33.94 3kr5 s LYS 147 CO 0.54 -0.27 -0.09 0.08 0.00 0.00 0.00 175.35 175.61 3kr5 s VAL 148 N -1.36 1.07 -0.13 1.79 1.01 -1.26 -0.45 120.40 121.07 3kr5 s VAL 148 Ca 0.55 -0.35 -0.03 0.00 0.00 0.00 0.00 61.98 62.16 3kr5 s VAL 148 Cb -0.32 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 3kr5 s VAL 148 CO 0.40 0.37 2.65 0.59 0.00 0.00 0.00 175.10 179.11 3kr5 n ASN 149 N 4.63 5.69 -3.69 3.32 3.02 0.20 -4.69 115.26 123.75 3kr5 n ASN 149 Ca -0.16 -2.67 -0.12 0.00 -0.03 0.00 0.00 54.58 51.60 3kr5 n ASN 149 Cb 0.50 -1.23 -0.13 0.00 -0.61 0.00 0.00 39.78 38.32 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 1.42 0.03 0.16 6.41 2.15 -1.26 -4.84 116.67 120.74 3kr5 s ASP 150 Ca 0.36 0.64 -0.16 0.00 0.43 0.00 0.00 52.55 53.82 3kr5 s ASP 150 Cb 0.21 0.68 0.06 0.00 -0.30 0.00 0.00 42.92 43.57 3kr5 s ASP 150 CO -0.03 -0.21 1.77 0.11 -0.17 0.00 0.00 175.17 176.63 3kr5 h LYS 151 N 7.84 0.33 -0.21 4.34 1.57 -1.98 -2.08 116.57 126.38 3kr5 h LYS 151 Ca -0.24 -0.02 -0.19 0.00 -1.87 0.00 0.00 60.65 58.32 3kr5 h LYS 151 Cb 1.13 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.37 3kr5 h LYS 151 CO 0.22 0.22 -0.63 1.96 -0.57 0.00 0.00 179.45 180.65 3kr5 h GLN 152 N 0.34 0.76 -0.02 3.15 1.08 -1.90 -1.93 115.11 116.59 3kr5 h GLN 152 Ca 0.17 -0.53 -0.17 0.00 -1.45 0.00 0.00 58.65 56.67 3kr5 h GLN 152 Cb 0.11 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.61 3kr5 h GLN 152 CO -0.14 1.15 -0.73 0.28 -0.95 0.00 0.00 178.83 178.44 3kr5 h VAL 153 N 0.56 1.46 -0.70 -0.54 2.07 -1.85 -2.68 116.25 114.57 3kr5 h VAL 153 Ca -0.01 -2.34 -0.04 0.00 0.82 0.00 0.00 66.70 65.13 3kr5 h VAL 153 Cb 1.24 2.26 -0.03 0.00 -1.52 0.00 0.00 31.29 33.23 3kr5 h VAL 153 CO 0.13 0.68 0.29 0.28 0.02 0.00 0.00 177.57 178.98 3kr5 h SER 154 N 0.10 0.96 0.28 0.57 0.02 -0.99 0.27 113.55 114.76 3kr5 h SER 154 Ca -0.02 -0.16 -0.05 0.00 -0.84 0.00 0.00 61.79 60.72 3kr5 h SER 154 Cb 1.29 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.58 3kr5 h SER 154 CO 0.11 0.86 -0.24 -0.08 -1.14 0.00 0.00 176.83 176.33 3kr5 h GLU 155 N 1.00 0.00 0.08 3.45 4.57 -1.18 -1.59 114.58 120.90 3kr5 h GLU 155 Ca 0.24 0.00 -0.26 0.00 -1.18 0.00 0.00 59.36 58.16 3kr5 h GLU 155 Cb 0.19 0.00 0.01 0.00 -0.16 0.00 0.00 28.75 28.79 3kr5 h GLU 155 CO -0.02 0.24 -1.12 0.35 -1.18 0.00 0.00 179.01 177.28 3kr5 h PHE 156 N 0.00 0.62 -0.15 0.92 3.57 -0.93 -3.19 116.94 117.79 3kr5 h PHE 156 Ca -0.00 -0.39 0.00 0.00 3.53 0.00 0.00 57.97 61.10 3kr5 h PHE 156 Cb 0.45 -0.05 0.00 0.00 2.79 0.00 0.00 35.95 39.14 3kr5 h PHE 156 CO 0.00 1.25 0.00 1.28 -2.23 0.00 0.00 178.31 178.61 3kr5 n LEU 157 N -3.67 1.08 -4.75 0.59 4.77 0.85 -4.46 117.00 111.41 3kr5 n LEU 157 Ca -0.09 -0.49 -0.37 0.00 -0.03 0.00 0.00 56.01 55.04 3kr5 n LEU 157 Cb 0.94 -0.10 0.04 0.00 -2.33 0.00 0.00 43.42 41.97 3kr5 n LEU 157 CO 0.53 0.24 0.90 -0.54 -1.33 0.00 0.00 177.39 177.19 3kr5 s LYS 158 N -1.81 2.98 0.19 3.23 1.02 -0.67 -4.64 119.74 120.04 3kr5 s LYS 158 Ca 0.24 2.00 -0.12 0.00 0.02 0.00 0.00 55.97 58.10 3kr5 s LYS 158 Cb 0.12 -2.04 0.21 0.00 -0.52 0.00 0.00 37.83 35.60 3kr5 s LYS 158 CO 0.18 -1.25 1.72 -0.44 -0.92 0.00 0.00 175.35 174.65 3kr5 h ASP 159 N 1.06 0.02 -0.57 2.83 3.32 -1.91 -1.50 116.42 119.68 3kr5 h ASP 159 Ca -0.51 0.09 0.12 0.00 0.02 0.00 0.00 57.03 56.75 3kr5 h ASP 159 Cb 1.30 0.12 -0.09 0.00 0.22 0.00 0.00 39.33 40.88 3kr5 h ASP 159 CO 0.56 0.04 0.00 -0.33 -1.72 0.00 0.00 179.24 177.79 3kr5 h GLU 160 N 0.25 0.12 0.46 3.56 3.07 -1.96 -2.60 114.58 117.49 3kr5 h GLU 160 Ca 0.26 -0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 59.09 3kr5 h GLU 160 Cb 0.35 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.24 3kr5 h GLU 160 CO -0.33 0.08 -0.22 -0.91 -1.40 0.00 0.00 179.01 176.22 3kr5 h ASN 161 N 0.12 -0.53 0.58 1.42 2.35 -1.65 -3.36 115.58 114.52 3kr5 h ASN 161 Ca 0.29 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 3kr5 h ASN 161 Cb 0.46 0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.97 3kr5 h ASN 161 CO -0.48 -0.32 0.00 0.24 -1.65 0.00 0.00 177.43 175.22 3kr5 h MET 162 N -0.70 0.00 0.00 0.81 2.86 -0.93 -1.91 114.93 115.05 3kr5 h MET 162 Ca -0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3kr5 h MET 162 Cb 0.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.18 3kr5 h MET 162 CO 0.10 0.00 0.00 1.05 1.06 0.00 0.00 176.91 179.12 3kr5 h GLU 163 N 0.00 0.00 0.00 1.72 4.11 -1.46 -1.63 114.58 117.32 3kr5 h GLU 163 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 3kr5 h GLU 163 Cb 0.29 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.54 3kr5 h GLU 163 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 179.01 180.71 3kr5 n LYS 164 N -2.85 0.12 -4.29 1.06 5.02 -0.72 -4.64 118.16 111.85 3kr5 n LYS 164 Ca 0.01 0.38 -0.25 0.00 -2.02 0.00 0.00 58.31 56.43 3kr5 n LYS 164 Cb 0.30 -1.73 -0.08 0.00 -0.02 0.00 0.00 35.03 33.49 3kr5 n LYS 164 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3kr5 s PHE 165 N -3.21 2.66 0.13 2.13 0.40 -0.62 -5.04 117.98 114.43 3kr5 s PHE 165 Ca 0.05 -0.22 0.06 0.00 -0.60 0.00 0.00 56.93 56.22 3kr5 s PHE 165 Cb 0.09 -1.25 -0.04 0.00 0.51 0.00 0.00 43.02 42.33 3kr5 s PHE 165 CO 0.32 0.56 -0.14 0.54 0.70 0.00 0.00 175.22 177.20 3kr5 s ASN 166 N -3.18 2.08 -0.07 1.36 2.20 -1.26 -0.54 114.94 115.53 3kr5 s ASN 166 Ca 0.28 -0.83 0.12 0.00 -0.94 0.00 0.00 52.86 51.49 3kr5 s ASN 166 Cb -0.08 -0.08 0.47 0.00 -2.00 0.00 0.00 41.25 39.56 3kr5 s ASN 166 CO 0.17 -0.14 1.33 0.52 -2.94 0.00 0.00 177.10 176.04 3kr5 n VAL 167 N 0.44 1.13 -1.28 3.54 0.31 -0.30 -4.73 118.33 117.43 3kr5 n VAL 167 Ca -0.15 -0.75 -0.48 0.00 -0.01 0.00 0.00 64.34 62.95 3kr5 n VAL 167 Cb 0.57 0.02 -0.05 0.00 -0.91 0.00 0.00 33.84 33.47 3kr5 n VAL 167 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3kr5 n LYS 168 N 0.68 0.00 -1.67 5.55 4.81 -1.26 -0.71 118.16 125.56 3kr5 n LYS 168 Ca 0.17 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.18 3kr5 n LYS 168 Cb 0.60 -1.16 -0.03 0.00 0.02 0.00 0.00 35.03 34.46 3kr5 n LYS 168 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 3kr5 n LEU 169 N 1.47 4.13 0.00 3.14 7.94 -1.26 -1.63 117.00 130.79 3kr5 n LEU 169 Ca 0.17 0.93 0.00 0.00 -1.11 0.00 0.00 56.01 56.00 3kr5 n LEU 169 Cb 0.12 -1.53 0.00 0.00 0.53 0.00 0.00 43.42 42.54 3kr5 n LEU 169 CO 0.52 0.19 0.00 0.61 -1.11 0.00 0.00 177.39 177.60 3kr5 n GLY 170 N 4.46 1.06 3.77 -3.96 0.00 -0.61 -4.97 105.19 104.95 3kr5 n GLY 170 Ca 0.20 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.81 3kr5 n GLY 170 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kr5 s THR 171 N -2.48 2.45 -0.07 2.61 2.01 -0.64 -4.71 115.64 114.81 3kr5 s THR 171 Ca 0.00 0.44 -0.08 0.00 0.31 0.00 0.00 61.69 62.36 3kr5 s THR 171 Cb 0.00 -3.28 0.02 0.00 0.01 0.00 0.00 72.50 69.25 3kr5 s THR 171 CO 0.00 0.10 0.22 -0.94 -0.69 0.00 0.00 174.62 173.31 3kr5 s SER 172 N -0.23 -0.19 -0.01 3.53 1.04 -1.26 0.26 113.70 116.84 3kr5 s SER 172 Ca 0.52 0.33 0.03 0.00 0.48 0.00 0.00 55.95 57.30 3kr5 s SER 172 Cb -0.43 0.41 -0.01 0.00 0.10 0.00 0.00 66.02 66.10 3kr5 s SER 172 CO 0.55 -0.15 -0.09 -0.54 0.98 0.00 0.00 173.24 173.99 3kr5 s LYS 173 N -0.23 0.73 -0.07 4.02 -0.14 -1.14 -5.02 119.74 117.90 3kr5 s LYS 173 Ca -0.03 -0.33 -0.09 0.00 -1.36 0.00 0.00 55.97 54.16 3kr5 s LYS 173 Cb -0.03 -0.71 0.02 0.00 -1.68 0.00 0.00 37.83 35.43 3kr5 s LYS 173 CO 0.01 0.19 0.23 -3.38 -0.76 0.00 0.00 175.35 171.64 3kr5 s HIS 174 N -0.22 -0.21 0.05 3.18 -3.43 -1.26 -2.35 115.29 111.04 3kr5 s HIS 174 Ca 0.03 0.49 0.07 0.00 -0.80 0.00 0.00 55.06 54.86 3kr5 s HIS 174 Cb -0.04 0.07 -0.03 0.00 -1.43 0.00 0.00 32.58 31.16 3kr5 s HIS 174 CO -0.00 -0.17 -0.21 -0.06 -2.00 0.00 0.00 174.74 172.30 3kr5 s PHE 175 N -0.20 1.82 -0.04 0.38 0.40 0.07 -4.93 117.98 115.48 3kr5 s PHE 175 Ca -0.03 -0.38 -0.14 0.00 -0.60 0.00 0.00 56.93 55.78 3kr5 s PHE 175 Cb -0.03 -1.08 -0.05 0.00 0.51 0.00 0.00 43.02 42.37 3kr5 s PHE 175 CO 0.01 0.10 0.36 0.71 0.70 0.00 0.00 175.22 177.10 3kr5 s TYR 176 N -0.82 3.66 0.25 0.36 1.51 -1.26 -0.65 117.35 120.40 3kr5 s TYR 176 Ca 0.07 0.87 -0.20 0.00 -1.01 0.00 0.00 57.07 56.81 3kr5 s TYR 176 Cb -0.09 -2.26 0.02 0.00 -0.11 0.00 0.00 41.96 39.52 3kr5 s TYR 176 CO 0.02 0.58 0.65 0.00 -1.11 0.00 0.00 175.55 175.69 3kr5 s MET 177 N -0.76 1.65 -0.00 -0.62 0.23 0.10 -4.99 119.30 114.91 3kr5 s MET 177 Ca 0.22 -0.94 -0.18 0.00 -1.03 0.00 0.00 55.69 53.76 3kr5 s MET 177 Cb -0.15 0.58 -0.06 0.00 -1.53 0.00 0.00 34.83 33.67 3kr5 s MET 177 CO 0.11 -0.74 0.51 -0.06 -2.03 0.00 0.00 175.02 172.81 3kr5 s PHE 178 N -3.90 3.70 0.00 3.16 0.08 -1.26 -1.87 117.98 117.89 3kr5 s PHE 178 Ca 0.11 1.10 0.00 0.00 0.12 0.00 0.00 56.93 58.26 3kr5 s PHE 178 Cb -0.04 -2.47 0.00 0.00 -0.57 0.00 0.00 43.02 39.94 3kr5 s PHE 178 CO 0.03 0.47 0.00 0.27 -0.10 0.00 0.00 175.22 175.90 3kr5 n ASN 179 N 2.34 0.00 -0.04 1.36 6.94 -0.59 -4.75 115.26 120.51 3kr5 n ASN 179 Ca -0.10 -0.73 0.18 0.00 -0.02 0.00 0.00 54.58 53.91 3kr5 n ASN 179 Cb 0.51 0.00 0.63 0.00 -2.36 0.00 0.00 39.78 38.56 3kr5 n ASN 179 CO 0.00 0.00 0.00 0.44 -1.03 0.00 0.00 177.26 176.67 3kr5 h ASP 180 N 0.00 0.13 -0.46 0.53 3.32 -1.90 -2.32 116.42 115.72 3kr5 h ASP 180 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3kr5 h ASP 180 Cb 0.00 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.53 3kr5 h ASP 180 CO 0.00 0.07 0.00 0.59 -1.72 0.00 0.00 179.24 178.18 3kr5 n ASN 181 N -4.41 2.48 -4.01 6.45 3.02 -1.26 -4.89 115.26 112.63 3kr5 n ASN 181 Ca 0.11 -2.00 -0.33 0.00 -0.03 0.00 0.00 54.58 52.32 3kr5 n ASN 181 Cb 0.55 -0.31 -0.02 0.00 -0.61 0.00 0.00 39.78 39.39 3kr5 n ASN 181 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3kr5 n LYS 182 N 0.85 -3.05 -4.02 3.52 5.02 -0.87 -4.99 118.16 114.62 3kr5 n LYS 182 Ca 0.15 0.36 -0.35 0.00 -2.02 0.00 0.00 58.31 56.46 3kr5 n LYS 182 Cb 0.39 -5.08 -0.07 0.00 -0.02 0.00 0.00 35.03 30.26 3kr5 n LYS 182 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3kr5 s ASN 183 N -3.11 6.02 0.25 4.39 2.47 -1.26 -4.81 114.94 118.89 3kr5 s ASN 183 Ca 0.66 0.32 -0.30 0.00 0.42 0.00 0.00 52.86 53.96 3kr5 s ASN 183 Cb -0.36 -1.85 -0.10 0.00 -1.45 0.00 0.00 41.25 37.49 3kr5 s ASN 183 CO 0.81 0.35 1.34 -0.55 -3.72 0.00 0.00 177.10 175.33 3kr5 s SER 184 N -1.32 6.81 -0.26 -4.21 0.15 -1.26 -1.54 113.70 112.07 3kr5 s SER 184 Ca 0.19 2.55 -0.16 0.00 0.70 0.00 0.00 55.95 59.23 3kr5 s SER 184 Cb -0.12 -2.62 0.08 0.00 -1.71 0.00 0.00 66.02 61.64 3kr5 s SER 184 CO 0.08 -0.57 0.66 -0.69 1.20 0.00 0.00 173.24 173.92 3kr5 s VAL 185 N -0.30 -0.00 -0.15 4.45 1.01 -0.78 -4.48 120.40 120.15 3kr5 s VAL 185 Ca 0.55 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.53 3kr5 s VAL 185 Cb -0.39 -0.95 -0.01 0.00 0.00 0.00 0.00 36.38 35.03 3kr5 s VAL 185 CO 0.44 0.00 -0.11 0.00 0.00 0.00 0.00 175.10 175.43 3kr5 s ALA 186 N 1.45 2.67 0.07 5.51 0.00 -0.06 -0.72 121.76 130.69 3kr5 s ALA 186 Ca -0.09 -0.94 0.05 0.00 0.00 0.00 0.00 51.96 50.99 3kr5 s ALA 186 Cb -0.05 -1.31 -0.03 0.00 0.00 0.00 0.00 23.12 21.72 3kr5 s ALA 186 CO -0.17 0.12 -0.14 0.08 0.00 0.00 0.00 175.76 175.65 3kr5 s VAL 187 N 0.55 1.14 -2.86 0.00 1.01 0.18 -0.44 120.40 119.98 3kr5 s VAL 187 Ca -0.07 -1.32 0.00 0.00 0.00 0.00 0.00 61.98 60.58 3kr5 s VAL 187 Cb -0.15 -1.10 0.00 0.00 0.00 0.00 0.00 36.38 35.13 3kr5 s VAL 187 CO 0.03 -0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.52 3kr5 n GLY 188 N 1.25 -1.12 3.16 4.51 0.00 -0.06 -0.75 105.19 112.19 3kr5 n GLY 188 Ca -0.21 -1.01 -0.15 0.00 0.00 0.00 0.00 46.02 44.66 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 -3.00 1.03 -0.01 1.61 1.13 -0.99 0.13 117.35 117.24 3kr5 s TYR 189 Ca 0.00 -0.61 0.06 0.00 -1.41 0.00 0.00 57.07 55.11 3kr5 s TYR 189 Cb 0.00 -0.57 -0.03 0.00 -1.10 0.00 0.00 41.96 40.26 3kr5 s TYR 189 CO 0.00 -0.01 -0.20 0.08 -2.51 0.00 0.00 175.55 172.92 3kr5 s VAL 190 N -2.15 2.62 0.28 -3.49 1.01 -0.54 -2.88 120.40 115.24 3kr5 s VAL 190 Ca 0.02 -0.99 -0.14 0.00 0.00 0.00 0.00 61.98 60.88 3kr5 s VAL 190 Cb -0.05 -2.01 -0.08 0.00 0.00 0.00 0.00 36.38 34.24 3kr5 s VAL 190 CO 0.00 0.52 0.67 -0.83 0.00 0.00 0.00 175.10 175.46 3kr5 s GLY 191 N -0.88 2.35 -0.04 4.51 0.00 0.14 -2.77 107.32 110.63 3kr5 s GLY 191 Ca 0.12 -0.05 0.06 0.00 0.00 0.00 0.00 44.72 44.85 3kr5 s GLY 191 CO 0.01 0.16 0.97 0.00 0.00 0.00 0.00 173.10 174.24 3kr5 n GLY 193 N -0.65 1.75 0.00 0.00 0.00 0.11 -4.30 105.19 102.11 3kr5 n GLY 193 Ca 0.05 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3kr5 n GLY 193 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kr5 n SER 194 N 4.82 0.30 -4.41 1.61 7.64 -1.26 0.82 113.62 123.15 3kr5 n SER 194 Ca 0.00 -1.09 -0.35 0.00 1.01 0.00 0.00 58.87 58.44 3kr5 n SER 194 Cb 0.00 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.07 3kr5 n SER 194 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3kr5 s VAL 195 N -0.09 3.93 0.04 0.44 1.01 -1.26 -4.17 120.40 120.31 3kr5 s VAL 195 Ca 0.00 -0.31 -0.14 0.00 0.00 0.00 0.00 61.98 61.54 3kr5 s VAL 195 Cb 0.00 -2.80 -0.06 0.00 0.00 0.00 0.00 36.38 33.52 3kr5 s VAL 195 CO 0.00 0.39 1.22 0.00 0.00 0.00 0.00 175.10 176.71 3kr5 h ALA 196 N 7.92 -0.70 -1.96 5.51 0.00 -1.93 -3.39 119.26 124.71 3kr5 h ALA 196 Ca -0.38 -0.04 -0.58 0.00 0.00 0.00 0.00 54.91 53.91 3kr5 h ALA 196 Cb 1.17 0.65 -0.02 0.00 0.00 0.00 0.00 17.79 19.60 3kr5 h ALA 196 CO 0.60 -0.76 1.31 0.16 0.00 0.00 0.00 179.25 180.55 3kr5 s ASP 197 N -3.34 5.89 0.21 0.00 -4.77 -1.26 -4.63 116.67 108.77 3kr5 s ASP 197 Ca -0.06 1.60 -0.08 0.00 -3.30 0.00 0.00 52.55 50.71 3kr5 s ASP 197 Cb 0.02 -2.52 -0.07 0.00 -1.09 0.00 0.00 42.92 39.26 3kr5 s ASP 197 CO 0.24 -1.66 0.52 -0.76 0.70 0.00 0.00 175.17 174.21 3kr5 s LEU 198 N 6.83 4.18 0.77 2.11 1.43 -1.26 -5.09 118.68 127.65 3kr5 s LEU 198 Ca 0.85 0.85 -0.03 0.00 -1.03 0.00 0.00 54.13 54.77 3kr5 s LEU 198 Cb -0.27 -3.61 0.15 0.00 0.03 0.00 0.00 46.19 42.49 3kr5 s LEU 198 CO 0.34 -0.05 1.06 -0.94 0.23 0.00 0.00 176.35 176.98 3kr5 s SER 199 N -2.40 4.08 0.16 2.29 1.04 -1.26 -4.87 113.70 112.74 3kr5 s SER 199 Ca 0.46 -0.37 -0.02 0.00 0.48 0.00 0.00 55.95 56.50 3kr5 s SER 199 Cb -0.11 0.10 0.01 0.00 0.10 0.00 0.00 66.02 66.12 3kr5 s SER 199 CO 0.22 -2.06 1.39 1.05 0.98 0.00 0.00 173.24 174.83 3kr5 h GLU 200 N -0.72 0.39 -0.16 4.02 -0.00 -1.98 -0.66 114.58 115.47 3kr5 h GLU 200 Ca -0.36 -0.35 -0.02 0.00 -0.00 0.00 0.00 59.36 58.62 3kr5 h GLU 200 Cb 1.26 0.08 -0.01 0.00 -0.00 0.00 0.00 28.75 30.09 3kr5 h GLU 200 CO 0.38 1.01 0.01 0.00 -0.00 0.00 0.00 179.01 180.40 3kr5 h ALA 201 N 0.88 0.21 -0.28 1.06 0.00 -1.93 0.82 119.26 120.03 3kr5 h ALA 201 Ca -0.04 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.74 3kr5 h ALA 201 Cb 1.39 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 19.06 3kr5 h ALA 201 CO 0.14 -0.09 -0.14 -0.44 0.00 0.00 0.00 179.25 178.72 3kr5 h ASP 202 N 0.03 -0.47 -0.84 0.00 3.32 -1.92 -2.23 116.42 114.31 3kr5 h ASP 202 Ca 0.05 0.11 0.13 0.00 0.02 0.00 0.00 57.03 57.34 3kr5 h ASP 202 Cb 0.36 0.26 -0.06 0.00 0.22 0.00 0.00 39.33 40.11 3kr5 h ASP 202 CO 0.01 -0.17 0.55 -0.03 -1.72 0.00 0.00 179.24 177.87 3kr5 h MET 203 N -0.10 0.62 0.95 3.56 4.05 -0.66 -0.42 114.93 122.93 3kr5 h MET 203 Ca 0.15 -0.04 -0.05 0.00 -0.28 0.00 0.00 59.70 59.48 3kr5 h MET 203 Cb 0.32 -0.14 0.01 0.00 -0.80 0.00 0.00 31.60 30.99 3kr5 h MET 203 CO -0.35 0.41 -0.45 0.87 0.23 0.00 0.00 176.91 177.62 3kr5 h LYS 204 N 0.64 -1.23 -1.02 0.39 1.57 -0.26 0.36 116.57 117.02 3kr5 h LYS 204 Ca 0.41 0.08 0.25 0.00 -1.87 0.00 0.00 60.65 59.53 3kr5 h LYS 204 Cb 0.69 0.28 -0.11 0.00 0.08 0.00 0.00 32.23 33.17 3kr5 h LYS 204 CO -0.17 -0.82 0.63 0.00 -0.57 0.00 0.00 179.45 178.52 3kr5 h ARG 205 N -1.31 0.50 0.87 3.15 3.08 -1.03 0.98 114.38 120.62 3kr5 h ARG 205 Ca -0.13 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.85 3kr5 h ARG 205 Cb 0.97 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 30.92 3kr5 h ARG 205 CO 0.21 0.33 -0.42 0.28 -1.07 0.00 0.00 179.97 179.30 3kr5 h VAL 206 N 0.51 0.00 -0.71 2.04 2.07 -0.67 -2.09 116.25 117.40 3kr5 h VAL 206 Ca 0.61 -0.04 0.11 0.00 0.82 0.00 0.00 66.70 68.20 3kr5 h VAL 206 Cb 1.32 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 31.02 3kr5 h VAL 206 CO -0.38 0.00 0.33 0.58 0.02 0.00 0.00 177.57 178.12 3kr5 h VAL 207 N -1.21 0.79 -0.96 2.57 2.07 0.53 -0.95 116.25 119.08 3kr5 h VAL 207 Ca -0.12 -0.18 0.22 0.00 0.82 0.00 0.00 66.70 67.43 3kr5 h VAL 207 Cb 0.90 0.20 -0.12 0.00 -1.52 0.00 0.00 31.29 30.76 3kr5 h VAL 207 CO 0.20 0.10 0.53 -0.07 0.02 0.00 0.00 177.57 178.35 3kr5 h LEU 208 N 0.54 0.60 -0.23 2.57 4.07 0.10 0.18 115.31 123.14 3kr5 h LEU 208 Ca 0.36 0.13 -0.21 0.00 0.08 0.00 0.00 57.88 58.23 3kr5 h LEU 208 Cb 0.44 0.04 -0.00 0.00 1.08 0.00 0.00 40.66 42.21 3kr5 h LEU 208 CO -0.31 0.13 -0.89 -1.28 -1.08 0.00 0.00 178.44 175.01 3kr5 h SER 209 N 0.58 0.50 -0.88 -0.43 0.87 -0.49 -0.78 113.55 112.92 3kr5 h SER 209 Ca 0.59 -0.38 0.07 0.00 -1.23 0.00 0.00 61.79 60.84 3kr5 h SER 209 Cb 1.05 -0.15 -0.07 0.00 -0.44 0.00 0.00 62.40 62.80 3kr5 h SER 209 CO -0.46 1.17 0.54 0.25 -0.53 0.00 0.00 176.83 177.80 3kr5 h LEU 210 N 0.23 0.84 -0.00 2.23 5.85 -0.05 -2.58 115.31 121.83 3kr5 h LEU 210 Ca -0.06 0.02 -0.26 0.00 0.84 0.00 0.00 57.88 58.42 3kr5 h LEU 210 Cb 1.51 -0.15 0.02 0.00 0.37 0.00 0.00 40.66 42.41 3kr5 h LEU 210 CO 0.15 0.52 -1.00 0.58 -0.34 0.00 0.00 178.44 178.35 3kr5 h VAL 211 N 0.96 1.29 -0.96 1.05 2.07 -0.43 -1.61 116.25 118.63 3kr5 h VAL 211 Ca 0.39 -2.22 0.19 0.00 0.82 0.00 0.00 66.70 65.88 3kr5 h VAL 211 Cb 0.22 2.39 -0.09 0.00 -1.52 0.00 0.00 31.29 32.30 3kr5 h VAL 211 CO -0.19 0.68 0.61 0.74 0.02 0.00 0.00 177.57 179.43 3kr5 h THR 212 N 0.36 0.72 -0.30 2.57 2.02 -1.05 0.16 112.91 117.39 3kr5 h THR 212 Ca -0.12 -0.22 -0.18 0.00 0.77 0.00 0.00 66.41 66.65 3kr5 h THR 212 Cb 1.66 0.03 -0.00 0.00 -1.74 0.00 0.00 68.15 68.10 3kr5 h THR 212 CO 0.20 0.12 -0.53 0.24 0.37 0.00 0.00 175.52 175.92 3kr5 h MET 213 N 0.64 0.88 -0.29 6.66 2.07 -0.90 -3.16 114.93 120.82 3kr5 h MET 213 Ca 0.52 -0.55 -0.07 0.00 -2.07 0.00 0.00 59.70 57.53 3kr5 h MET 213 Cb 0.96 0.06 -0.01 0.00 -1.87 0.00 0.00 31.60 30.74 3kr5 h MET 213 CO -0.27 1.18 -0.10 -0.07 1.07 0.00 0.00 176.91 178.72 3kr5 h LEU 214 N 0.68 0.59 -2.11 1.22 3.38 -0.32 -2.65 115.31 116.10 3kr5 h LEU 214 Ca 0.02 -0.39 0.09 0.00 0.09 0.00 0.00 57.88 57.69 3kr5 h LEU 214 Cb 1.13 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 3kr5 h LEU 214 CO 0.12 0.84 0.29 0.45 0.09 0.00 0.00 178.44 180.23 3kr5 h HIS 215 N 0.33 0.00 -0.41 1.13 3.86 -0.88 -2.60 115.15 116.58 3kr5 h HIS 215 Ca 0.07 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 3kr5 h HIS 215 Cb 0.60 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.07 3kr5 h HIS 215 CO 0.06 0.00 0.00 -0.25 0.86 0.00 0.00 177.93 178.60 3kr5 n ASP 216 N -3.91 3.52 -3.90 2.45 9.92 -1.01 -4.90 116.55 118.70 3kr5 n ASP 216 Ca 0.04 -2.00 -0.14 0.00 -0.53 0.00 0.00 54.79 52.17 3kr5 n ASP 216 Cb 0.45 -0.26 -0.14 0.00 -0.64 0.00 0.00 41.12 40.52 3kr5 n ASP 216 CO 0.00 0.00 0.00 0.20 0.13 0.00 0.00 177.20 177.53 3kr5 s ASN 217 N -1.47 0.24 -0.27 -2.24 0.01 -0.98 -5.07 114.94 105.16 3kr5 s ASN 217 Ca 0.40 -0.04 -0.27 0.00 -0.71 0.00 0.00 52.86 52.24 3kr5 s ASN 217 Cb 0.23 -0.03 0.01 0.00 0.41 0.00 0.00 41.25 41.87 3kr5 s ASN 217 CO 0.32 0.02 0.97 -0.54 -1.51 0.00 0.00 177.10 176.36 3kr5 s LYS 218 N -0.04 4.15 -0.05 -0.60 1.02 -1.26 -4.90 119.74 118.07 3kr5 s LYS 218 Ca 0.01 1.08 -0.11 0.00 0.02 0.00 0.00 55.97 56.97 3kr5 s LYS 218 Cb -0.01 -3.68 0.02 0.00 -0.52 0.00 0.00 37.83 33.64 3kr5 s LYS 218 CO -0.00 -0.68 0.26 -0.51 -0.92 0.00 0.00 175.35 173.50 3kr5 s LEU 219 N 3.20 1.05 -0.04 3.17 1.43 -1.26 -5.04 118.68 121.20 3kr5 s LEU 219 Ca 0.41 0.21 -0.00 0.00 -1.03 0.00 0.00 54.13 53.72 3kr5 s LEU 219 Cb -0.14 1.01 -0.26 0.00 0.03 0.00 0.00 46.19 46.82 3kr5 s LEU 219 CO 0.10 -0.29 0.70 0.77 0.23 0.00 0.00 176.35 177.86 3kr5 h SER 220 N 4.71 0.31 -4.32 2.29 4.64 -1.95 -3.33 113.55 115.90 3kr5 h SER 220 Ca -0.28 -0.52 -0.45 0.00 -0.47 0.00 0.00 61.79 60.07 3kr5 h SER 220 Cb 1.19 -0.10 -0.25 0.00 -0.31 0.00 0.00 62.40 62.93 3kr5 h SER 220 CO 0.37 1.45 -0.79 -0.75 -0.87 0.00 0.00 176.83 176.23 3kr5 s LYS 221 N -2.60 0.95 -0.01 4.77 2.20 -1.26 -0.91 119.74 122.88 3kr5 s LYS 221 Ca -0.11 -0.76 0.08 0.00 -0.36 0.00 0.00 55.97 54.82 3kr5 s LYS 221 Cb 0.07 -0.96 -0.02 0.00 -1.51 0.00 0.00 37.83 35.41 3kr5 s LYS 221 CO 0.83 0.24 -0.25 -1.17 -0.36 0.00 0.00 175.35 174.63 3kr5 s LEU 222 N -1.13 2.11 -0.06 5.43 2.96 -0.58 -1.67 118.68 125.74 3kr5 s LEU 222 Ca 0.02 -0.47 0.03 0.00 -0.22 0.00 0.00 54.13 53.48 3kr5 s LEU 222 Cb -0.08 -1.34 0.01 0.00 0.50 0.00 0.00 46.19 45.27 3kr5 s LEU 222 CO 0.01 0.31 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.32 3kr5 s THR 223 N -0.65 1.24 -0.28 3.68 2.01 0.19 0.14 115.64 121.97 3kr5 s THR 223 Ca 0.10 -0.56 0.03 0.00 0.31 0.00 0.00 61.69 61.57 3kr5 s THR 223 Cb -0.10 -1.10 0.07 0.00 0.01 0.00 0.00 72.50 71.37 3kr5 s THR 223 CO -0.00 0.37 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.53 3kr5 s VAL 224 N 0.44 2.17 -0.40 3.82 1.01 -0.14 0.39 120.40 127.70 3kr5 s VAL 224 Ca -0.11 -1.77 -0.23 0.00 0.00 0.00 0.00 61.98 59.86 3kr5 s VAL 224 Cb -0.14 -2.35 0.02 0.00 0.00 0.00 0.00 36.38 33.90 3kr5 s VAL 224 CO 0.03 -0.15 0.80 -0.69 0.00 0.00 0.00 175.10 175.10 3kr5 s VAL 225 N 1.07 4.68 -0.66 2.92 1.01 0.19 -0.28 120.40 129.32 3kr5 s VAL 225 Ca -0.05 0.76 -0.26 0.00 0.00 0.00 0.00 61.98 62.43 3kr5 s VAL 225 Cb -0.20 -4.27 0.04 0.00 0.00 0.00 0.00 36.38 31.95 3kr5 s VAL 225 CO -0.06 -0.56 1.15 -0.36 0.00 0.00 0.00 175.10 175.28 3kr5 s PHE 226 N 3.24 2.50 -0.29 5.22 0.40 0.12 0.16 117.98 129.33 3kr5 s PHE 226 Ca 0.32 -0.04 0.12 0.00 -0.60 0.00 0.00 56.93 56.73 3kr5 s PHE 226 Cb -0.12 -4.46 0.73 0.00 0.51 0.00 0.00 43.02 39.67 3kr5 s PHE 226 CO 0.20 -1.79 1.74 0.39 0.70 0.00 0.00 175.22 176.46 3kr5 n GLU 227 N 8.59 3.82 -4.43 0.44 1.02 0.03 -4.75 120.64 125.36 3kr5 n GLU 227 Ca 0.03 -3.09 -0.25 0.00 -0.02 0.00 0.00 57.16 53.82 3kr5 n GLU 227 Cb 0.48 -2.17 -0.10 0.00 -0.02 0.00 0.00 31.44 29.63 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 -2.95 2.55 -0.03 -3.67 -4.36 -1.23 -4.67 121.20 106.85 3kr5 s ILE 228 Ca 0.53 -2.20 -0.23 0.00 -0.26 0.00 0.00 60.65 58.50 3kr5 s ILE 228 Cb 0.42 -2.30 -0.04 0.00 1.25 0.00 0.00 42.46 41.79 3kr5 s ILE 228 CO 0.13 -0.28 0.68 0.20 0.24 0.00 0.00 174.94 175.91 3kr5 s ASN 229 N -3.19 7.02 -0.03 4.36 0.01 -1.26 -5.03 114.94 116.82 3kr5 s ASN 229 Ca 0.27 1.22 -0.01 0.00 -0.71 0.00 0.00 52.86 53.62 3kr5 s ASN 229 Cb -0.06 -2.41 0.03 0.00 0.41 0.00 0.00 41.25 39.21 3kr5 s ASN 229 CO 0.14 -0.03 0.07 0.68 -1.51 0.00 0.00 177.10 176.44 3kr5 s VAL 230 N 0.37 -0.04 1.24 1.60 -7.23 -1.26 -4.66 120.40 110.42 3kr5 s VAL 230 Ca 0.36 0.15 -0.18 0.00 -1.81 0.00 0.00 61.98 60.50 3kr5 s VAL 230 Cb -0.18 -0.12 0.30 0.00 0.56 0.00 0.00 36.38 36.93 3kr5 s VAL 230 CO 0.19 0.06 1.03 1.51 -0.31 0.00 0.00 175.10 177.58 3kr5 s ASP 231 N 0.81 0.52 0.22 4.85 3.84 -1.26 -4.70 116.67 120.96 3kr5 s ASP 231 Ca -0.07 0.96 -0.08 0.00 -0.00 0.00 0.00 52.55 53.37 3kr5 s ASP 231 Cb -0.09 -1.42 0.29 0.00 -1.38 0.00 0.00 42.92 40.32 3kr5 s ASP 231 CO -0.03 -4.41 1.81 0.11 -0.00 0.00 0.00 175.17 172.66 3kr5 h LYS 232 N -2.77 0.72 -0.46 2.11 1.57 -1.99 -2.06 116.57 113.69 3kr5 h LYS 232 Ca -0.50 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.22 3kr5 h LYS 232 Cb 1.32 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 3kr5 h LYS 232 CO 0.40 0.48 0.23 -0.91 -0.57 0.00 0.00 179.45 179.08 3kr5 h ASN 233 N 0.75 0.60 -0.19 0.86 2.35 -1.91 -0.77 115.58 117.26 3kr5 h ASN 233 Ca 0.33 -0.12 -0.03 0.00 -0.55 0.00 0.00 56.30 55.93 3kr5 h ASN 233 Cb 0.23 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 3kr5 h ASN 233 CO -0.20 0.54 -0.01 0.25 -1.65 0.00 0.00 177.43 176.37 3kr5 h LEU 234 N 0.60 0.34 -1.43 1.61 5.85 -1.88 0.39 115.31 120.80 3kr5 h LEU 234 Ca 0.16 -0.32 0.04 0.00 0.84 0.00 0.00 57.88 58.60 3kr5 h LEU 234 Cb 0.10 -0.09 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 3kr5 h LEU 234 CO -0.02 0.58 0.42 0.15 -0.34 0.00 0.00 178.44 179.23 3kr5 h PHE 235 N 0.09 0.72 -0.43 1.25 3.57 -1.27 0.17 116.94 121.05 3kr5 h PHE 235 Ca 0.05 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.52 3kr5 h PHE 235 Cb 0.41 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 3kr5 h PHE 235 CO 0.04 0.41 0.05 -0.09 -2.23 0.00 0.00 178.31 176.49 3kr5 h ARG 236 N 0.74 0.72 0.24 1.11 2.43 -0.46 -2.92 114.38 116.24 3kr5 h ARG 236 Ca 0.26 -0.20 -0.01 0.00 -0.81 0.00 0.00 59.98 59.22 3kr5 h ARG 236 Cb 0.12 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 3kr5 h ARG 236 CO -0.07 0.76 -0.11 0.35 -1.51 0.00 0.00 179.97 179.38 3kr5 h PHE 237 N 0.57 -0.30 -0.77 2.20 3.57 0.12 0.72 116.94 123.06 3kr5 h PHE 237 Ca 0.13 -0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.69 3kr5 h PHE 237 Cb 0.40 0.10 -0.09 0.00 2.79 0.00 0.00 35.95 39.15 3kr5 h PHE 237 CO 0.03 -0.12 -0.45 0.34 -2.23 0.00 0.00 178.31 175.88 3kr5 n PHE 238 N -5.19 -0.34 0.26 0.41 7.35 0.45 0.13 117.46 120.54 3kr5 n PHE 238 Ca -0.09 0.96 -0.16 0.00 -0.76 0.00 0.00 57.45 57.39 3kr5 n PHE 238 Cb 0.18 -0.56 -0.08 0.00 0.35 0.00 0.00 39.48 39.37 3kr5 n PHE 238 CO 0.00 0.00 0.00 1.25 -0.76 0.00 0.00 176.76 177.25 3kr5 h LEU 239 N 0.00 -0.98 -0.87 -2.13 5.85 -1.30 0.29 115.31 116.17 3kr5 h LEU 239 Ca 0.12 0.08 0.20 0.00 0.84 0.00 0.00 57.88 59.12 3kr5 h LEU 239 Cb 0.31 0.32 -0.16 0.00 0.37 0.00 0.00 40.66 41.50 3kr5 h LEU 239 CO -0.72 -0.53 -0.07 -0.33 -0.34 0.00 0.00 178.44 176.44 3kr5 h GLU 240 N -0.81 0.04 -0.11 1.25 5.08 0.16 0.64 114.58 120.82 3kr5 h GLU 240 Ca -0.04 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 3kr5 h GLU 240 Cb 0.70 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 3kr5 h GLU 240 CO -0.02 0.02 -0.07 1.15 -1.00 0.00 0.00 179.01 179.09 3kr5 h THR 241 N 0.04 1.33 0.18 1.13 2.02 0.15 -1.14 112.91 116.62 3kr5 h THR 241 Ca 0.47 -1.14 0.00 0.00 0.77 0.00 0.00 66.41 66.51 3kr5 h THR 241 Cb 0.84 1.85 -0.03 0.00 -1.74 0.00 0.00 68.15 69.07 3kr5 h THR 241 CO -0.83 0.33 -0.37 0.25 0.37 0.00 0.00 175.52 175.26 3kr5 h LEU 242 N -0.13 -1.09 -0.97 2.58 5.85 0.15 0.55 115.31 122.25 3kr5 h LEU 242 Ca 0.02 0.11 0.16 0.00 0.84 0.00 0.00 57.88 59.01 3kr5 h LEU 242 Cb 0.55 0.39 -0.16 0.00 0.37 0.00 0.00 40.66 41.80 3kr5 h LEU 242 CO 0.02 -0.42 -0.36 -0.26 -0.34 0.00 0.00 178.44 177.08 3kr5 h PHE 243 N -0.60 -0.97 -0.28 1.25 0.04 -1.00 0.44 116.94 115.82 3kr5 h PHE 243 Ca -0.02 0.10 -0.07 0.00 2.80 0.00 0.00 57.97 60.78 3kr5 h PHE 243 Cb 0.57 0.57 -0.01 0.00 2.20 0.00 0.00 35.95 39.28 3kr5 h PHE 243 CO -0.34 -0.41 -0.12 -0.92 -0.60 0.00 0.00 178.31 175.93 3kr5 h TYR 244 N -0.01 0.65 -0.53 -0.55 3.20 0.32 -0.87 116.97 119.17 3kr5 h TYR 244 Ca 0.36 -0.16 -0.05 0.00 3.14 0.00 0.00 58.73 62.03 3kr5 h TYR 244 Cb 0.62 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 3kr5 h TYR 244 CO -0.84 0.80 0.14 0.93 -1.64 0.00 0.00 178.16 177.55 3kr5 h GLU 245 N 0.31 0.85 -0.44 1.82 4.39 0.25 -3.23 114.58 118.53 3kr5 h GLU 245 Ca 0.06 -0.20 -0.02 0.00 0.34 0.00 0.00 59.36 59.55 3kr5 h GLU 245 Cb 0.62 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 3kr5 h GLU 245 CO 0.04 0.80 0.21 -0.92 -1.16 0.00 0.00 179.01 177.97 3kr5 h TYR 246 N 0.75 0.63 -3.24 4.33 3.20 0.01 -3.42 116.97 119.23 3kr5 h TYR 246 Ca 0.17 -0.03 -0.55 0.00 3.14 0.00 0.00 58.73 61.46 3kr5 h TYR 246 Cb 0.33 -0.20 0.09 0.00 1.54 0.00 0.00 36.73 38.49 3kr5 h TYR 246 CO 0.02 0.52 0.80 -0.12 -1.64 0.00 0.00 178.16 177.74 3kr5 n MET 247 N -4.66 2.54 -4.02 1.82 1.56 -0.34 -5.01 117.12 109.01 3kr5 n MET 247 Ca 0.01 0.90 -0.28 0.00 -0.27 0.00 0.00 57.70 58.06 3kr5 n MET 247 Cb 0.12 -2.64 -0.17 0.00 2.15 0.00 0.00 33.22 32.67 3kr5 n MET 247 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 3kr5 s THR 248 N -0.20 1.26 -0.18 1.12 -4.23 -1.26 -4.92 115.64 107.22 3kr5 s THR 248 Ca 0.63 -0.44 -0.29 0.00 -1.18 0.00 0.00 61.69 60.41 3kr5 s THR 248 Cb -0.53 -1.22 -0.05 0.00 1.34 0.00 0.00 72.50 72.05 3kr5 s THR 248 CO 0.51 0.40 1.91 -0.62 -0.54 0.00 0.00 174.62 176.29 3kr5 s ASP 249 N 1.52 6.02 -0.09 3.99 -1.08 -1.26 -4.87 116.67 120.91 3kr5 s ASP 249 Ca 0.03 1.88 0.13 0.00 -0.52 0.00 0.00 52.55 54.07 3kr5 s ASP 249 Cb -0.13 -2.52 0.19 0.00 -1.46 0.00 0.00 42.92 39.00 3kr5 s ASP 249 CO -0.08 -1.51 1.09 -0.62 0.52 0.00 0.00 175.17 174.57 3kr5 n GLU 250 N 8.10 1.00 -0.24 4.34 1.02 -1.26 -4.76 120.64 128.84 3kr5 n GLU 250 Ca 0.23 -2.06 0.26 0.00 -0.02 0.00 0.00 57.16 55.57 3kr5 n GLU 250 Cb 0.44 -1.19 0.63 0.00 -0.02 0.00 0.00 31.44 31.31 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 0.00 0.19 -0.03 3.49 3.08 -1.98 -2.04 114.38 117.10 3kr5 h ARG 251 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3kr5 h ARG 251 Cb 1.08 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.09 3kr5 h ARG 251 CO 0.00 0.12 -0.11 1.19 -1.07 0.00 0.00 179.97 180.10 3kr5 n PHE 252 N -4.40 0.00 -2.57 3.04 3.01 -1.26 -4.92 117.46 110.36 3kr5 n PHE 252 Ca 0.21 0.00 -0.36 0.00 1.01 0.00 0.00 57.45 58.31 3kr5 n PHE 252 Cb 0.90 -0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 40.33 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 -2.12 4.17 -0.49 -1.08 -0.14 -0.77 -5.27 119.74 114.04 3kr5 s LYS 253 Ca 0.26 1.47 0.06 0.00 -1.36 0.00 0.00 55.97 56.40 3kr5 s LYS 253 Cb 0.20 -2.51 0.20 0.00 -1.68 0.00 0.00 37.83 34.04 3kr5 s LYS 253 CO 0.37 -0.13 0.48 -1.13 -0.76 0.00 0.00 175.35 174.18 3kr5 n SER 254 N -0.12 0.99 -4.44 2.83 3.41 -1.26 -5.07 113.62 109.95 3kr5 n SER 254 Ca 0.05 -2.78 -0.39 0.00 -0.26 0.00 0.00 58.87 55.49 3kr5 n SER 254 Cb 0.50 -0.63 -0.11 0.00 -0.26 0.00 0.00 64.21 63.70 3kr5 n SER 254 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3kr5 s GLU 262 N -0.96 3.30 0.36 4.33 8.01 -1.26 -5.24 118.70 127.23 3kr5 s GLU 262 Ca 0.33 -0.75 -0.13 0.00 0.01 0.00 0.00 54.97 54.44 3kr5 s GLU 262 Cb 0.08 -3.61 -0.08 0.00 -4.31 0.00 0.00 34.13 26.22 3kr5 s GLU 262 CO -0.14 -0.45 0.74 0.71 0.01 0.00 0.00 175.26 176.14 3kr5 s TYR 263 N 1.62 3.42 0.54 1.61 2.02 -1.26 -4.71 117.35 120.59 3kr5 s TYR 263 Ca 0.04 1.12 -0.19 0.00 -0.37 0.00 0.00 57.07 57.67 3kr5 s TYR 263 Cb -0.17 -2.48 -0.09 0.00 -0.40 0.00 0.00 41.96 38.82 3kr5 s TYR 263 CO 0.07 0.00 0.63 0.44 -1.57 0.00 0.00 175.55 175.12 3kr5 n ILE 264 N -0.80 2.40 0.44 2.71 -5.35 -1.25 -4.87 119.36 112.63 3kr5 n ILE 264 Ca 0.03 -0.50 0.05 0.00 -0.27 0.00 0.00 62.75 62.05 3kr5 n ILE 264 Cb 0.53 -0.76 -0.04 0.00 -1.74 0.00 0.00 39.64 37.63 3kr5 n ILE 264 CO 0.00 0.00 0.00 0.29 -1.76 0.00 0.00 176.55 175.08 3kr5 n LYS 265 N -0.07 3.37 -4.43 6.28 5.02 -0.09 -4.64 118.16 123.60 3kr5 n LYS 265 Ca 0.12 -0.18 -0.20 0.00 -2.02 0.00 0.00 58.31 56.03 3kr5 n LYS 265 Cb 0.46 -0.98 -0.14 0.00 -0.02 0.00 0.00 35.03 34.34 3kr5 n LYS 265 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3kr5 s HIS 266 N -1.71 1.01 -0.14 2.13 3.76 -0.87 -0.05 115.29 119.42 3kr5 s HIS 266 Ca 0.05 -0.23 -0.01 0.00 -0.15 0.00 0.00 55.06 54.72 3kr5 s HIS 266 Cb 0.07 -0.64 0.04 0.00 1.11 0.00 0.00 32.58 33.17 3kr5 s HIS 266 CO 0.34 -0.01 -0.02 -1.17 -0.85 0.00 0.00 174.74 173.03 3kr5 s LEU 267 N -0.48 1.19 0.11 0.89 2.96 0.63 -1.52 118.68 122.45 3kr5 s LEU 267 Ca 0.03 -0.51 -0.00 0.00 -0.22 0.00 0.00 54.13 53.43 3kr5 s LEU 267 Cb -0.05 -0.70 -0.04 0.00 0.50 0.00 0.00 46.19 45.90 3kr5 s LEU 267 CO -0.00 -0.21 0.28 -0.83 -1.32 0.00 0.00 176.35 174.26 3kr5 s GLY 268 N 1.79 2.03 -0.02 7.98 0.00 0.38 -0.43 107.32 119.05 3kr5 s GLY 268 Ca 0.02 -0.84 0.02 0.00 0.00 0.00 0.00 44.72 43.92 3kr5 s GLY 268 CO -0.07 -0.82 -0.08 0.14 0.00 0.00 0.00 173.10 172.27 3kr5 s VAL 269 N -1.63 0.70 -0.14 1.40 1.01 0.51 -0.96 120.40 121.28 3kr5 s VAL 269 Ca 0.36 -0.35 -0.01 0.00 0.00 0.00 0.00 61.98 61.99 3kr5 s VAL 269 Cb -0.12 -0.61 -0.01 0.00 0.00 0.00 0.00 36.38 35.64 3kr5 s VAL 269 CO 0.28 0.21 -0.11 -0.31 0.00 0.00 0.00 175.10 175.16 3kr5 s TYR 270 N 0.00 2.85 -0.17 5.22 1.51 0.61 -1.39 117.35 125.98 3kr5 s TYR 270 Ca 0.00 -0.66 -0.22 0.00 -1.01 0.00 0.00 57.07 55.19 3kr5 s TYR 270 Cb -0.06 -1.88 0.06 0.00 -0.11 0.00 0.00 41.96 39.97 3kr5 s TYR 270 CO -0.00 -0.24 0.58 -1.50 -1.11 0.00 0.00 175.55 173.28 3kr5 s ILE 271 N 0.47 0.01 0.09 2.71 2.07 -0.48 0.13 121.20 126.20 3kr5 s ILE 271 Ca -0.08 -0.04 -0.31 0.00 -1.41 0.00 0.00 60.65 58.80 3kr5 s ILE 271 Cb -0.16 -0.83 -0.07 0.00 0.13 0.00 0.00 42.46 41.53 3kr5 s ILE 271 CO 0.04 -0.02 1.34 0.21 -1.91 0.00 0.00 174.94 174.60 3kr5 s ASN 272 N -0.10 6.89 -0.18 4.50 2.47 -1.26 -1.41 114.94 125.84 3kr5 s ASN 272 Ca -0.03 2.22 -0.00 0.00 0.42 0.00 0.00 52.86 55.46 3kr5 s ASN 272 Cb -0.03 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.18 3kr5 s ASN 272 CO 0.03 -0.61 0.06 -3.20 -3.72 0.00 0.00 177.10 169.65 3kr5 n ASN 273 N 4.14 -1.95 -0.32 -4.21 2.85 -1.26 -4.93 115.26 109.59 3kr5 n ASN 273 Ca 0.11 -0.03 0.17 0.00 -0.11 0.00 0.00 54.58 54.72 3kr5 n ASN 273 Cb 0.44 -1.01 0.34 0.00 1.24 0.00 0.00 39.78 40.78 3kr5 n ASN 273 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3kr5 h ALA 274 N 0.11 1.39 -0.66 5.20 0.00 -1.84 0.28 119.26 123.75 3kr5 h ALA 274 Ca -0.06 0.27 0.13 0.00 0.00 0.00 0.00 54.91 55.25 3kr5 h ALA 274 Cb 1.04 0.40 -0.13 0.00 0.00 0.00 0.00 17.79 19.11 3kr5 h ALA 274 CO 0.07 -0.57 -0.19 -0.44 0.00 0.00 0.00 179.25 178.11 3kr5 h ASP 275 N 0.12 -0.70 0.00 0.00 5.19 -1.91 -0.67 116.42 118.45 3kr5 h ASP 275 Ca 0.62 0.21 0.00 0.00 -0.62 0.00 0.00 57.03 57.23 3kr5 h ASP 275 Cb 1.33 0.44 0.00 0.00 0.18 0.00 0.00 39.33 41.28 3kr5 h ASP 275 CO -0.75 -0.24 0.01 0.35 -3.12 0.00 0.00 179.24 175.49 3kr5 n THR 276 N -5.45 0.89 -0.00 0.35 -2.24 0.99 -2.54 114.28 106.27 3kr5 n THR 276 Ca 0.08 0.23 0.01 0.00 -2.27 0.00 0.00 64.05 62.10 3kr5 n THR 276 Cb 0.35 -1.23 -0.02 0.00 -2.10 0.00 0.00 70.33 67.33 3kr5 n THR 276 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3kr5 n TYR 277 N -1.21 0.00 -0.25 4.78 4.01 -0.27 -4.70 117.16 119.52 3kr5 n TYR 277 Ca 0.00 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.87 3kr5 n TYR 277 Cb 0.01 -0.06 0.41 0.00 -0.31 0.00 0.00 39.34 39.39 3kr5 n TYR 277 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3kr5 h LYS 278 N 0.00 0.60 0.00 -0.72 1.57 -1.41 -0.35 116.57 116.26 3kr5 h LYS 278 Ca -0.00 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 3kr5 h LYS 278 Cb 0.18 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 3kr5 h LYS 278 CO 0.00 0.40 -0.12 1.05 -0.57 0.00 0.00 179.45 180.21 3kr5 h GLU 279 N 0.62 0.00 0.00 3.15 4.11 -1.84 -2.74 114.58 117.88 3kr5 h GLU 279 Ca 0.44 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 59.80 3kr5 h GLU 279 Cb 0.80 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 3kr5 h GLU 279 CO -0.19 0.12 -0.34 0.93 0.07 0.00 0.00 179.01 179.60 3kr5 h GLU 280 N 0.00 0.00 0.39 1.06 4.39 -1.37 -3.33 114.58 115.71 3kr5 h GLU 280 Ca -0.00 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.69 3kr5 h GLU 280 Cb 0.52 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.14 3kr5 h GLU 280 CO 0.02 0.34 -0.45 0.28 -1.16 0.00 0.00 179.01 178.04 3kr5 h VAL 281 N 0.00 0.11 0.00 3.13 2.07 -1.56 0.25 116.25 120.25 3kr5 h VAL 281 Ca -0.00 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.46 3kr5 h VAL 281 Cb 0.88 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 3kr5 h VAL 281 CO 0.04 0.00 -0.29 -0.33 0.02 0.00 0.00 177.57 177.02 3kr5 h GLU 282 N -0.86 0.00 -0.30 1.57 4.39 -1.77 -0.92 114.58 116.69 3kr5 h GLU 282 Ca -0.03 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.61 3kr5 h GLU 282 Cb 0.78 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.42 3kr5 h GLU 282 CO -0.10 0.29 -0.02 -0.22 -1.16 0.00 0.00 179.01 177.79 3kr5 h LYS 283 N 0.00 0.55 -0.66 2.33 3.64 -1.62 -1.49 116.57 119.32 3kr5 h LYS 283 Ca -0.00 -0.19 0.03 0.00 -1.27 0.00 0.00 60.65 59.22 3kr5 h LYS 283 Cb 0.97 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.70 3kr5 h LYS 283 CO 0.04 0.71 0.41 0.00 -2.27 0.00 0.00 179.45 178.34 3kr5 h ALA 284 N 0.82 0.87 -0.34 5.00 0.00 0.03 0.52 119.26 126.16 3kr5 h ALA 284 Ca 0.08 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3kr5 h ALA 284 Cb 0.48 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 3kr5 h ALA 284 CO 0.02 0.16 0.15 -0.09 0.00 0.00 0.00 179.25 179.50 3kr5 h ARG 285 N 0.80 0.50 0.30 0.00 2.43 -1.02 0.76 114.38 118.15 3kr5 h ARG 285 Ca 0.27 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.34 3kr5 h ARG 285 Cb 0.04 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 3kr5 h ARG 285 CO -0.11 0.47 -0.14 0.28 -1.51 0.00 0.00 179.97 178.96 3kr5 h VAL 286 N 0.41 0.71 -0.48 0.20 2.07 -0.91 -1.75 116.25 116.50 3kr5 h VAL 286 Ca 0.12 -0.03 0.08 0.00 0.82 0.00 0.00 66.70 67.68 3kr5 h VAL 286 Cb 0.15 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 30.58 3kr5 h VAL 286 CO -0.01 0.01 0.10 1.88 0.02 0.00 0.00 177.57 179.56 3kr5 h TYR 287 N -0.42 0.15 -0.36 1.57 -1.99 -0.68 -0.25 116.97 114.99 3kr5 h TYR 287 Ca -0.04 0.03 0.07 0.00 2.00 0.00 0.00 58.73 60.79 3kr5 h TYR 287 Cb 0.32 0.00 -0.09 0.00 2.00 0.00 0.00 36.73 38.97 3kr5 h TYR 287 CO -0.05 -0.00 -0.33 -0.92 -0.00 0.00 0.00 178.16 176.86 3kr5 h TYR 288 N 0.23 -0.91 -0.27 4.88 3.20 0.73 -0.88 116.97 123.95 3kr5 h TYR 288 Ca 0.24 0.06 -0.13 0.00 3.14 0.00 0.00 58.73 62.03 3kr5 h TYR 288 Cb 0.32 0.45 -0.01 0.00 1.54 0.00 0.00 36.73 39.03 3kr5 h TYR 288 CO -0.22 -0.39 -0.38 0.35 -1.64 0.00 0.00 178.16 175.88 3kr5 h PHE 289 N -0.28 0.72 -0.32 -3.82 3.57 -0.37 0.36 116.94 116.80 3kr5 h PHE 289 Ca 0.16 -0.20 0.06 0.00 3.53 0.00 0.00 57.97 61.52 3kr5 h PHE 289 Cb 0.54 -0.16 -0.06 0.00 2.79 0.00 0.00 35.95 39.06 3kr5 h PHE 289 CO -0.52 0.90 -0.07 0.78 -2.23 0.00 0.00 178.31 177.17 3kr5 h GLY 290 N 1.02 0.25 0.90 2.40 0.00 -0.82 0.74 103.07 107.57 3kr5 h GLY 290 Ca 0.05 0.10 -0.03 0.00 0.00 0.00 0.00 47.33 47.45 3kr5 h GLY 290 CO 0.08 -0.12 0.08 -0.84 0.00 0.00 0.00 176.54 175.74 3kr5 h THR 291 N 0.01 1.21 -0.20 4.70 2.02 -0.67 -1.41 112.91 118.58 3kr5 h THR 291 Ca 0.16 -0.71 -0.12 0.00 0.77 0.00 0.00 66.41 66.51 3kr5 h THR 291 Cb 0.24 1.09 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 3kr5 h THR 291 CO -0.33 0.24 -0.37 0.22 0.37 0.00 0.00 175.52 175.65 3kr5 h TYR 292 N 0.34 0.52 -0.27 3.16 3.20 0.06 0.35 116.97 124.33 3kr5 h TYR 292 Ca 0.10 -0.14 -0.03 0.00 3.14 0.00 0.00 58.73 61.80 3kr5 h TYR 292 Cb 0.28 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.42 3kr5 h TYR 292 CO 0.01 0.76 0.05 -0.92 -1.64 0.00 0.00 178.16 176.42 3kr5 h TYR 293 N 0.38 0.47 -0.30 -3.82 3.20 0.67 0.17 116.97 117.74 3kr5 h TYR 293 Ca 0.04 -0.06 0.04 0.00 3.14 0.00 0.00 58.73 61.89 3kr5 h TYR 293 Cb 0.82 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.92 3kr5 h TYR 293 CO 0.03 0.54 0.05 0.00 -1.64 0.00 0.00 178.16 177.13 3kr5 h ALA 294 N 0.87 0.30 -0.50 1.82 0.00 -1.01 -1.93 119.26 118.82 3kr5 h ALA 294 Ca 0.08 0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.15 3kr5 h ALA 294 Cb 0.32 0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.10 3kr5 h ALA 294 CO 0.00 -0.36 -0.04 1.03 0.00 0.00 0.00 179.25 179.88 3kr5 h SER 295 N 0.15 -0.29 -0.79 0.00 0.87 -0.57 -0.72 113.55 112.21 3kr5 h SER 295 Ca 0.14 0.13 0.02 0.00 -1.23 0.00 0.00 61.79 60.84 3kr5 h SER 295 Cb 0.15 0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 62.31 3kr5 h SER 295 CO -0.19 -0.10 0.51 1.56 -0.53 0.00 0.00 176.83 178.08 3kr5 h GLN 296 N 0.08 1.00 -0.43 2.24 4.20 -0.01 0.21 115.11 122.40 3kr5 h GLN 296 Ca 0.25 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.87 3kr5 h GLN 296 Cb 0.38 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.92 3kr5 h GLN 296 CO -0.45 0.66 0.15 -0.07 -0.67 0.00 0.00 178.83 178.45 3kr5 h LEU 297 N 1.03 0.61 -0.28 1.46 3.38 -0.64 -1.78 115.31 119.09 3kr5 h LEU 297 Ca 0.30 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 3kr5 h LEU 297 Cb -0.07 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.51 3kr5 h LEU 297 CO -0.08 0.64 -0.03 0.40 0.09 0.00 0.00 178.44 179.46 3kr5 h ILE 298 N 0.55 1.27 -0.19 1.22 2.04 -0.28 -2.97 117.51 119.15 3kr5 h ILE 298 Ca 0.14 -1.01 -0.11 0.00 1.00 0.00 0.00 64.86 64.88 3kr5 h ILE 298 Cb 0.24 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.67 3kr5 h ILE 298 CO -0.01 0.32 -0.35 0.00 0.00 0.00 0.00 178.15 178.11 3kr5 h ALA 299 N 0.80 1.05 -1.71 1.87 0.00 -0.56 -3.41 119.26 117.31 3kr5 h ALA 299 Ca 0.08 -0.39 -0.70 0.00 0.00 0.00 0.00 54.91 53.90 3kr5 h ALA 299 Cb 0.48 -0.10 0.02 0.00 0.00 0.00 0.00 17.79 18.19 3kr5 h ALA 299 CO 0.02 0.59 0.94 0.00 0.00 0.00 0.00 179.25 180.80 3kr5 n ALA 300 N -2.49 0.13 -1.09 0.00 0.00 -0.67 -4.92 120.51 111.46 3kr5 n ALA 300 Ca -0.01 0.36 -0.30 0.00 0.00 0.00 0.00 53.44 53.49 3kr5 n ALA 300 Cb 0.46 -2.30 0.14 0.00 0.00 0.00 0.00 19.45 17.74 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 3.55 1.36 0.50 0.00 0.02 -1.26 -4.51 135.00 134.67 3kr5 s PRO 301 Ca 0.96 1.04 0.28 0.00 0.02 0.00 0.00 61.00 63.30 3kr5 s PRO 301 Cb -0.95 -1.80 1.23 0.00 0.02 0.00 0.00 34.50 33.00 3kr5 s PRO 301 CO 0.60 -2.23 1.95 0.77 -0.33 0.00 0.00 177.00 177.76 3kr5 h SER 302 N -1.55 0.00 0.46 2.53 0.02 -1.81 0.17 113.55 113.37 3kr5 h SER 302 Ca -0.48 0.00 -0.08 0.00 -0.84 0.00 0.00 61.79 60.40 3kr5 h SER 302 Cb 1.27 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.80 3kr5 h SER 302 CO 0.51 0.13 -0.37 -0.55 -1.14 0.00 0.00 176.83 175.42 3kr5 h ASN 303 N 0.00 0.00 0.00 3.07 -1.07 -1.93 -3.27 115.58 112.38 3kr5 h ASN 303 Ca -0.00 0.00 -0.12 0.00 0.07 0.00 0.00 56.30 56.25 3kr5 h ASN 303 Cb 0.56 0.00 -0.02 0.00 -2.07 0.00 0.00 38.32 36.79 3kr5 h ASN 303 CO 0.02 0.37 -0.75 1.88 0.07 0.00 0.00 177.43 179.01 3kr5 h TYR 304 N 0.00 0.00 -3.19 4.14 0.05 -1.34 -3.41 116.97 113.22 3kr5 h TYR 304 Ca -0.00 0.00 -0.74 0.00 0.05 0.00 0.00 58.73 58.03 3kr5 h TYR 304 Cb 0.69 0.00 -0.22 0.00 1.01 0.00 0.00 36.73 38.21 3kr5 h TYR 304 CO 0.00 0.97 0.23 0.00 -1.05 0.00 0.00 178.16 178.32 3kr5 s ASN 306 N 3.02 4.33 0.41 0.00 2.20 -1.23 -4.32 114.94 119.35 3kr5 s ASN 306 Ca 0.18 -1.31 0.15 0.00 -0.94 0.00 0.00 52.86 50.94 3kr5 s ASN 306 Cb -0.15 0.01 1.03 0.00 -2.00 0.00 0.00 41.25 40.14 3kr5 s ASN 306 CO -0.04 -0.75 1.88 -0.65 -2.94 0.00 0.00 177.10 174.60 3kr5 h PRO 307 N 1.29 0.44 0.02 3.55 0.11 -1.87 0.36 132.00 135.91 3kr5 h PRO 307 Ca -0.42 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.59 3kr5 h PRO 307 Cb 1.28 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 32.30 3kr5 h PRO 307 CO 0.69 0.29 -0.29 0.28 -0.21 0.00 0.00 178.00 178.77 3kr5 h VAL 308 N 0.46 1.59 -0.43 3.15 2.07 -1.93 -2.66 116.25 118.49 3kr5 h VAL 308 Ca 0.43 -2.11 -0.10 0.00 0.82 0.00 0.00 66.70 65.74 3kr5 h VAL 308 Cb 0.97 2.95 -0.02 0.00 -1.52 0.00 0.00 31.29 33.67 3kr5 h VAL 308 CO -0.16 0.58 -0.14 0.77 0.02 0.00 0.00 177.57 178.64 3kr5 h SER 309 N -0.57 0.78 0.48 0.57 4.64 -1.76 -0.38 113.55 117.31 3kr5 h SER 309 Ca -0.04 -0.25 -0.02 0.00 -0.47 0.00 0.00 61.79 61.01 3kr5 h SER 309 Cb 1.10 -0.21 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 3kr5 h SER 309 CO 0.06 0.93 -0.23 0.25 -0.87 0.00 0.00 176.83 176.96 3kr5 h LEU 310 N 0.70 -0.55 -0.93 5.97 6.46 -0.36 0.03 115.31 126.63 3kr5 h LEU 310 Ca 0.11 0.01 0.04 0.00 -0.12 0.00 0.00 57.88 57.93 3kr5 h LEU 310 Cb 0.63 0.14 -0.06 0.00 -0.73 0.00 0.00 40.66 40.64 3kr5 h LEU 310 CO 0.04 -0.39 0.60 0.77 -0.62 0.00 0.00 178.44 178.85 3kr5 h SER 311 N -0.66 0.99 -0.96 1.25 4.64 -1.42 0.84 113.55 118.23 3kr5 h SER 311 Ca -0.07 -0.00 0.09 0.00 -0.47 0.00 0.00 61.79 61.34 3kr5 h SER 311 Cb 0.50 -0.21 -0.07 0.00 -0.31 0.00 0.00 62.40 62.31 3kr5 h SER 311 CO 0.11 0.66 0.61 0.78 -0.87 0.00 0.00 176.83 178.12 3kr5 h ASN 312 N 1.14 0.91 -0.12 4.97 2.35 -0.77 -0.46 115.58 123.61 3kr5 h ASN 312 Ca 0.38 0.02 -0.18 0.00 -0.55 0.00 0.00 56.30 55.97 3kr5 h ASN 312 Cb 0.06 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.26 3kr5 h ASN 312 CO -0.14 0.54 -0.60 0.00 -1.65 0.00 0.00 177.43 175.59 3kr5 h ALA 313 N 1.52 0.53 -0.82 -0.83 0.00 0.59 -1.40 119.26 118.85 3kr5 h ALA 313 Ca 0.44 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 3kr5 h ALA 313 Cb 0.34 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3kr5 h ALA 313 CO -0.20 0.69 0.45 0.00 0.00 0.00 0.00 179.25 180.20 3kr5 h ALA 314 N 0.78 1.05 -0.44 0.00 0.00 -0.28 0.11 119.26 120.48 3kr5 h ALA 314 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3kr5 h ALA 314 Cb 1.19 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3kr5 h ALA 314 CO 0.12 0.56 0.28 0.28 0.00 0.00 0.00 179.25 180.49 3kr5 h VAL 315 N 1.14 1.13 -0.62 0.00 2.07 -0.88 0.58 116.25 119.67 3kr5 h VAL 315 Ca 0.29 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.51 3kr5 h VAL 315 Cb 0.02 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.28 3kr5 h VAL 315 CO -0.05 0.13 0.29 -0.08 0.02 0.00 0.00 177.57 177.88 3kr5 h GLU 316 N 0.60 0.90 -0.43 1.57 4.81 -0.69 -0.42 114.58 120.91 3kr5 h GLU 316 Ca 0.16 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.24 3kr5 h GLU 316 Cb -0.03 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.17 3kr5 h GLU 316 CO -0.03 0.73 0.22 1.25 -0.73 0.00 0.00 179.01 180.45 3kr5 h LEU 317 N 0.85 0.55 -0.68 1.64 5.85 -0.21 -0.66 115.31 122.65 3kr5 h LEU 317 Ca 0.21 -0.11 0.05 0.00 0.84 0.00 0.00 57.88 58.87 3kr5 h LEU 317 Cb 0.14 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 3kr5 h LEU 317 CO -0.02 0.50 0.40 0.00 -0.34 0.00 0.00 178.44 178.98 3kr5 h ALA 318 N 1.07 0.91 -0.60 1.25 0.00 -0.57 -0.01 119.26 121.30 3kr5 h ALA 318 Ca 0.15 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 55.00 3kr5 h ALA 318 Cb 0.09 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3kr5 h ALA 318 CO -0.02 0.11 0.15 1.96 0.00 0.00 0.00 179.25 181.45 3kr5 h GLN 319 N 0.76 0.97 0.00 0.00 4.20 -0.55 0.34 115.11 120.83 3kr5 h GLN 319 Ca 0.29 -0.23 -0.06 0.00 0.06 0.00 0.00 58.65 58.71 3kr5 h GLN 319 Cb 0.12 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 3kr5 h GLN 319 CO -0.15 0.89 -0.26 0.87 -0.67 0.00 0.00 178.83 179.50 3kr5 h LYS 320 N 0.88 0.00 -0.31 1.46 1.57 -0.52 -3.04 116.57 116.60 3kr5 h LYS 320 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3kr5 h LYS 320 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 3kr5 h LYS 320 CO 0.00 0.26 0.00 1.28 -0.57 0.00 0.00 179.45 180.43 3kr5 n LEU 321 N -3.83 3.14 -3.15 2.94 4.77 -0.07 -4.97 117.00 115.83 3kr5 n LEU 321 Ca -0.02 -1.49 -0.23 0.00 -0.03 0.00 0.00 56.01 54.25 3kr5 n LEU 321 Cb 0.35 -0.20 0.02 0.00 -2.33 0.00 0.00 43.42 41.26 3kr5 n LEU 321 CO 0.35 0.68 -0.02 0.59 -1.33 0.00 0.00 177.39 177.66 3kr5 n ASN 322 N 1.21 -5.09 -4.84 -1.43 3.02 -0.14 -4.91 115.26 103.07 3kr5 n ASN 322 Ca 0.16 -0.32 -0.34 0.00 -0.03 0.00 0.00 54.58 54.05 3kr5 n ASN 322 Cb 0.53 -4.15 -0.06 0.00 -0.61 0.00 0.00 39.78 35.49 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 -6.59 4.26 0.36 3.41 1.43 -0.07 -5.02 118.68 116.46 3kr5 s LEU 323 Ca 0.34 1.16 -0.28 0.00 -1.03 0.00 0.00 54.13 54.33 3kr5 s LEU 323 Cb -0.16 -3.55 -0.10 0.00 0.03 0.00 0.00 46.19 42.41 3kr5 s LEU 323 CO 0.42 0.00 1.28 -1.61 0.23 0.00 0.00 176.35 176.67 3kr5 s GLU 324 N -2.29 4.22 0.04 1.70 2.02 -0.73 -4.58 118.70 119.08 3kr5 s GLU 324 Ca 0.43 2.13 -0.01 0.00 0.02 0.00 0.00 54.97 57.54 3kr5 s GLU 324 Cb -0.14 -2.94 -0.03 0.00 0.10 0.00 0.00 34.13 31.13 3kr5 s GLU 324 CO 0.20 -0.27 -0.01 1.52 0.02 0.00 0.00 175.26 176.72 3kr5 s TYR 325 N -1.21 0.37 -0.12 1.61 -0.85 -1.26 -0.37 117.35 115.52 3kr5 s TYR 325 Ca 0.52 -0.77 -0.07 0.00 -0.52 0.00 0.00 57.07 56.23 3kr5 s TYR 325 Cb -0.38 -0.27 0.04 0.00 0.38 0.00 0.00 41.96 41.74 3kr5 s TYR 325 CO 0.49 -0.31 0.29 0.21 -1.52 0.00 0.00 175.55 174.72 3kr5 s LYS 326 N -2.76 0.28 -0.25 -3.49 2.20 0.75 -4.99 119.74 111.48 3kr5 s LYS 326 Ca -0.04 0.56 -0.05 0.00 -0.36 0.00 0.00 55.97 56.08 3kr5 s LYS 326 Cb -0.00 -0.03 0.00 0.00 -1.51 0.00 0.00 37.83 36.29 3kr5 s LYS 326 CO -0.06 -0.13 0.00 0.42 -0.36 0.00 0.00 175.35 175.23 3kr5 s ILE 327 N 1.01 3.52 -0.24 5.43 -1.09 -1.26 -1.10 121.20 127.48 3kr5 s ILE 327 Ca -0.07 -0.67 -0.25 0.00 -2.23 0.00 0.00 60.65 57.44 3kr5 s ILE 327 Cb -0.08 -2.73 -0.00 0.00 -1.58 0.00 0.00 42.46 38.07 3kr5 s ILE 327 CO -0.07 0.25 0.84 -0.76 -1.23 0.00 0.00 174.94 173.96 3kr5 s LEU 328 N 1.46 4.09 0.71 2.97 1.02 0.27 -4.87 118.68 124.32 3kr5 s LEU 328 Ca 0.03 1.06 -0.03 0.00 0.02 0.00 0.00 54.13 55.22 3kr5 s LEU 328 Cb -0.16 -3.21 0.10 0.00 0.02 0.00 0.00 46.19 42.95 3kr5 s LEU 328 CO -0.01 -0.52 0.98 -0.83 0.02 0.00 0.00 176.35 175.99 3kr5 s GLY 329 N 1.32 1.76 0.22 -3.19 0.00 -1.26 -0.79 107.32 105.39 3kr5 s GLY 329 Ca 0.36 -1.46 -0.08 0.00 0.00 0.00 0.00 44.72 43.53 3kr5 s GLY 329 CO 0.07 -0.96 1.70 -2.08 0.00 0.00 0.00 173.10 171.84 3kr5 h VAL 330 N -0.53 0.61 -0.55 1.40 2.07 -1.95 -0.12 116.25 117.18 3kr5 h VAL 330 Ca -0.40 -0.10 0.04 0.00 0.82 0.00 0.00 66.70 67.07 3kr5 h VAL 330 Cb 1.28 0.31 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 3kr5 h VAL 330 CO 0.46 0.05 0.31 0.11 0.02 0.00 0.00 177.57 178.51 3kr5 h LYS 331 N 0.28 0.57 -0.40 1.57 6.56 -1.95 0.12 116.57 123.32 3kr5 h LYS 331 Ca 0.35 -0.03 -0.15 0.00 -1.06 0.00 0.00 60.65 59.75 3kr5 h LYS 331 Cb 0.53 -0.13 -0.01 0.00 -0.57 0.00 0.00 32.23 32.05 3kr5 h LYS 331 CO -0.43 0.38 -0.33 0.93 -2.06 0.00 0.00 179.45 177.94 3kr5 h GLU 332 N 0.59 0.91 -0.64 3.15 5.08 -1.74 -1.62 114.58 120.32 3kr5 h GLU 332 Ca 0.24 -0.45 -0.02 0.00 -1.00 0.00 0.00 59.36 58.13 3kr5 h GLU 332 Cb 0.11 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 3kr5 h GLU 332 CO -0.14 1.10 0.33 -0.07 -1.00 0.00 0.00 179.01 179.23 3kr5 h LEU 333 N 0.76 0.79 -0.23 1.33 3.38 -0.45 0.56 115.31 121.45 3kr5 h LEU 333 Ca 0.08 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 3kr5 h LEU 333 Cb 0.91 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 3kr5 h LEU 333 CO 0.08 0.66 -0.06 -0.33 0.09 0.00 0.00 178.44 178.88 3kr5 h GLU 334 N 0.89 0.45 -0.83 1.13 5.08 -0.62 -1.31 114.58 119.36 3kr5 h GLU 334 Ca 0.22 -0.18 0.07 0.00 -1.00 0.00 0.00 59.36 58.47 3kr5 h GLU 334 Cb 0.06 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.23 3kr5 h GLU 334 CO -0.03 0.69 0.54 0.93 -1.00 0.00 0.00 179.01 180.14 3kr5 h GLU 335 N 0.19 0.88 0.00 2.33 5.08 -0.88 0.81 114.58 122.99 3kr5 h GLU 335 Ca 0.06 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3kr5 h GLU 335 Cb 0.53 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3kr5 h GLU 335 CO 0.02 0.58 0.00 1.28 -1.00 0.00 0.00 179.01 179.90 3kr5 n LEU 336 N -4.49 0.00 -2.78 1.33 4.77 0.15 -4.91 117.00 111.07 3kr5 n LEU 336 Ca 0.13 0.19 -0.20 0.00 -0.03 0.00 0.00 56.01 56.10 3kr5 n LEU 336 Cb 0.22 -0.19 0.04 0.00 -2.33 0.00 0.00 43.42 41.15 3kr5 n LEU 336 CO 0.33 -0.01 0.03 0.29 -1.33 0.00 0.00 177.39 176.71 3kr5 n LYS 337 N -1.19 -4.79 -1.79 3.23 5.02 0.28 -4.66 118.16 114.25 3kr5 n LYS 337 Ca 0.17 0.80 -0.42 0.00 -2.02 0.00 0.00 58.31 56.84 3kr5 n LYS 337 Cb 0.19 -5.47 -0.00 0.00 -0.02 0.00 0.00 35.03 29.73 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 -3.80 3.06 0.13 1.97 2.81 -0.58 -1.67 117.12 119.05 3kr5 n MET 338 Ca -0.08 -2.72 -0.01 0.00 -1.81 0.00 0.00 57.70 53.08 3kr5 n MET 338 Cb 0.60 -3.18 0.21 0.00 -0.71 0.00 0.00 33.22 30.14 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 9.36 0.09 0.54 3.03 0.00 -1.76 -1.06 103.07 113.27 3kr5 h GLY 339 Ca 0.57 -0.10 -0.00 0.00 0.00 0.00 0.00 47.33 47.80 3kr5 h GLY 339 CO 1.84 0.09 -0.00 0.00 0.00 0.00 0.00 176.54 178.46 3kr5 h ALA 340 N 1.40 -0.01 -0.42 3.60 0.00 -1.84 -0.84 119.26 121.15 3kr5 h ALA 340 Ca -0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 3kr5 h ALA 340 Cb 0.96 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 3kr5 h ALA 340 CO 0.07 -0.27 0.23 -0.92 0.00 0.00 0.00 179.25 178.36 3kr5 h TYR 341 N -0.47 0.58 -0.12 0.00 3.20 -1.61 -2.65 116.97 115.90 3kr5 h TYR 341 Ca -0.00 -0.02 -0.08 0.00 3.14 0.00 0.00 58.73 61.77 3kr5 h TYR 341 Cb 0.46 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 3kr5 h TYR 341 CO 0.08 0.45 -0.30 -0.07 -1.64 0.00 0.00 178.16 176.68 3kr5 h LEU 342 N 0.55 0.22 -0.77 2.82 3.38 -1.23 -3.00 115.31 117.28 3kr5 h LEU 342 Ca 0.15 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 3kr5 h LEU 342 Cb 0.06 -0.06 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 3kr5 h LEU 342 CO -0.02 0.52 0.44 0.28 0.09 0.00 0.00 178.44 179.75 3kr5 h SER 343 N 0.20 0.94 -0.86 -0.43 0.02 -0.78 -1.94 113.55 110.70 3kr5 h SER 343 Ca 0.03 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.88 3kr5 h SER 343 Cb 0.64 -0.24 -0.04 0.00 0.14 0.00 0.00 62.40 62.89 3kr5 h SER 343 CO 0.05 0.75 0.49 0.58 -1.14 0.00 0.00 176.83 177.55 3kr5 h VAL 344 N 1.06 1.25 0.00 2.27 2.07 -1.41 -2.73 116.25 118.76 3kr5 h VAL 344 Ca 0.27 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 67.19 3kr5 h VAL 344 Cb 0.00 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.83 3kr5 h VAL 344 CO -0.05 0.28 -0.15 0.61 0.02 0.00 0.00 177.57 178.28 3kr5 n GLY 345 N -1.18 -1.55 0.32 2.17 0.00 -0.98 -4.14 105.19 99.83 3kr5 n GLY 345 Ca 0.09 -0.12 0.14 0.00 0.00 0.00 0.00 46.02 46.13 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 0.46 0.00 1.61 1.57 -1.03 0.35 116.57 119.53 3kr5 h LYS 346 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3kr5 h LYS 346 Cb 0.64 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.85 3kr5 h LYS 346 CO 0.00 0.30 0.00 0.41 -0.57 0.00 0.00 179.45 179.59 3kr5 n GLY 347 N -1.33 -1.02 3.89 3.86 0.00 -1.24 -4.46 105.19 104.89 3kr5 n GLY 347 Ca 0.23 -0.12 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.47 6.55 0.07 1.61 0.15 0.11 -4.57 113.70 115.15 3kr5 s SER 348 Ca 0.25 0.75 0.27 0.00 0.70 0.00 0.00 55.95 57.92 3kr5 s SER 348 Cb 0.16 -2.16 1.06 0.00 -1.71 0.00 0.00 66.02 63.37 3kr5 s SER 348 CO 0.35 -0.02 1.84 1.15 1.20 0.00 0.00 173.24 177.76 3kr5 n MET 349 N -0.09 0.08 -3.66 5.44 0.00 -1.26 -4.65 117.12 112.98 3kr5 n MET 349 Ca -0.01 0.10 -0.37 0.00 0.00 0.00 0.00 57.70 57.42 3kr5 n MET 349 Cb 0.52 -1.60 -0.10 0.00 0.00 0.00 0.00 33.22 32.03 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 -3.04 3.25 0.47 3.17 1.51 -1.26 -4.89 117.35 116.56 3kr5 s TYR 350 Ca 0.12 0.12 -0.24 0.00 -1.01 0.00 0.00 57.07 56.05 3kr5 s TYR 350 Cb 0.16 -2.30 -0.07 0.00 -0.11 0.00 0.00 41.96 39.64 3kr5 s TYR 350 CO 0.52 -0.05 1.42 -2.14 -1.11 0.00 0.00 175.55 174.19 3kr5 s PRO 351 N 1.34 3.54 0.35 -1.71 0.02 -1.26 -4.75 135.00 132.52 3kr5 s PRO 351 Ca 0.07 2.41 -0.28 0.00 0.02 0.00 0.00 61.00 63.21 3kr5 s PRO 351 Cb -0.15 -2.56 -0.12 0.00 0.02 0.00 0.00 34.50 31.69 3kr5 s PRO 351 CO 0.07 -0.93 1.35 0.09 -0.33 0.00 0.00 177.00 177.25 3kr5 n ASN 352 N -0.40 3.08 -3.83 2.53 4.13 -1.26 -4.54 115.26 114.98 3kr5 n ASN 352 Ca 0.06 1.21 -0.25 0.00 1.68 0.00 0.00 54.58 57.29 3kr5 n ASN 352 Cb 0.42 -1.52 -0.17 0.00 -1.54 0.00 0.00 39.78 36.97 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 -1.90 1.01 -0.29 3.52 -0.14 -0.64 -3.93 119.74 117.37 3kr5 s LYS 353 Ca 0.55 -0.09 -0.11 0.00 -1.36 0.00 0.00 55.97 54.96 3kr5 s LYS 353 Cb -0.54 -1.31 -0.04 0.00 -1.68 0.00 0.00 37.83 34.25 3kr5 s LYS 353 CO 0.62 -0.31 0.21 0.12 -0.76 0.00 0.00 175.35 175.23 3kr5 s PHE 354 N 1.85 3.22 -0.18 3.18 2.19 0.03 -1.12 117.98 127.16 3kr5 s PHE 354 Ca 0.05 0.08 -0.18 0.00 0.33 0.00 0.00 56.93 57.20 3kr5 s PHE 354 Cb -0.13 -2.40 -0.04 0.00 -1.31 0.00 0.00 43.02 39.14 3kr5 s PHE 354 CO -0.07 -0.20 0.48 0.42 1.83 0.00 0.00 175.22 177.69 3kr5 s ILE 355 N 1.77 5.15 -0.31 3.12 1.01 0.16 -0.56 121.20 131.53 3kr5 s ILE 355 Ca 0.07 0.90 -0.01 0.00 0.00 0.00 0.00 60.65 61.61 3kr5 s ILE 355 Cb -0.16 -3.81 0.10 0.00 0.01 0.00 0.00 42.46 38.60 3kr5 s ILE 355 CO 0.11 0.24 0.10 -2.28 0.00 0.00 0.00 174.94 173.11 3kr5 s HIS 356 N 1.28 1.63 0.06 3.97 2.46 -0.26 -0.95 115.29 123.48 3kr5 s HIS 356 Ca 0.23 -1.70 0.01 0.00 0.47 0.00 0.00 55.06 54.07 3kr5 s HIS 356 Cb -0.15 -1.67 -0.04 0.00 -0.13 0.00 0.00 32.58 30.59 3kr5 s HIS 356 CO 0.09 -0.87 0.13 -0.51 -2.47 0.00 0.00 174.74 171.11 3kr5 s LEU 357 N 1.61 4.03 -0.04 8.88 1.43 0.11 -0.18 118.68 134.53 3kr5 s LEU 357 Ca 0.10 0.12 -0.00 0.00 -1.03 0.00 0.00 54.13 53.32 3kr5 s LEU 357 Cb -0.17 -2.64 0.03 0.00 0.03 0.00 0.00 46.19 43.44 3kr5 s LEU 357 CO -0.25 0.19 0.00 -0.89 0.23 0.00 0.00 176.35 175.63 3kr5 s THR 358 N -1.41 0.21 -0.19 5.49 2.01 0.50 0.27 115.64 122.52 3kr5 s THR 358 Ca 0.31 0.11 -0.05 0.00 0.31 0.00 0.00 61.69 62.37 3kr5 s THR 358 Cb -0.12 -0.33 -0.03 0.00 0.01 0.00 0.00 72.50 72.03 3kr5 s THR 358 CO 0.23 0.17 -0.01 -0.47 -0.69 0.00 0.00 174.62 173.86 3kr5 s TYR 359 N 1.30 3.04 -0.06 4.92 5.04 0.85 -1.77 117.35 130.67 3kr5 s TYR 359 Ca -0.06 -0.41 0.05 0.00 -2.44 0.00 0.00 57.07 54.21 3kr5 s TYR 359 Cb -0.13 -2.05 -0.01 0.00 0.35 0.00 0.00 41.96 40.11 3kr5 s TYR 359 CO -0.02 -0.18 -0.22 0.21 -1.34 0.00 0.00 175.55 174.00 3kr5 s LYS 360 N 0.84 2.62 0.65 4.97 2.20 -1.26 0.69 119.74 130.44 3kr5 s LYS 360 Ca 0.00 -0.84 -0.14 0.00 -0.36 0.00 0.00 55.97 54.64 3kr5 s LYS 360 Cb -0.14 -2.25 -0.01 0.00 -1.51 0.00 0.00 37.83 33.91 3kr5 s LYS 360 CO 0.02 0.42 1.07 -1.12 -0.36 0.00 0.00 175.35 175.37 3kr5 s SER 361 N -0.23 5.44 0.07 1.43 0.01 0.11 -4.98 113.70 115.55 3kr5 s SER 361 Ca -0.01 1.79 -0.21 0.00 1.31 0.00 0.00 55.95 58.83 3kr5 s SER 361 Cb -0.13 -2.52 -0.11 0.00 0.21 0.00 0.00 66.02 63.46 3kr5 s SER 361 CO 0.03 -1.40 1.54 0.07 0.41 0.00 0.00 173.24 173.89 3kr5 h LYS 362 N -0.11 0.25 0.00 12.44 -0.00 -1.90 -3.46 116.57 123.80 3kr5 h LYS 362 Ca -0.46 -0.07 0.00 0.00 -0.00 0.00 0.00 60.65 60.13 3kr5 h LYS 362 Cb 1.22 -0.03 0.00 0.00 -0.00 0.00 0.00 32.23 33.42 3kr5 h LYS 362 CO 0.56 0.42 0.00 0.41 -0.00 0.00 0.00 179.45 180.84 3kr5 n GLY 363 N -0.46 -1.02 3.76 0.07 0.00 -1.26 -4.96 105.19 101.32 3kr5 n GLY 363 Ca -0.05 -1.47 -0.41 0.00 0.00 0.00 0.00 46.02 44.09 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 -1.25 6.83 -0.29 1.61 1.01 -1.26 -4.82 116.67 118.50 3kr5 s ASP 364 Ca 0.00 2.61 -0.20 0.00 0.71 0.00 0.00 52.55 55.67 3kr5 s ASP 364 Cb 0.00 -2.64 -0.01 0.00 1.01 0.00 0.00 42.92 41.28 3kr5 s ASP 364 CO 0.00 -0.51 0.62 -0.69 0.21 0.00 0.00 175.17 174.80 3kr5 s VAL 365 N -0.92 4.96 -0.03 -1.27 1.01 -1.26 -3.82 120.40 119.07 3kr5 s VAL 365 Ca 0.50 0.92 0.20 0.00 0.00 0.00 0.00 61.98 63.60 3kr5 s VAL 365 Cb -0.39 -3.97 -0.31 0.00 0.00 0.00 0.00 36.38 31.72 3kr5 s VAL 365 CO 0.49 -0.08 0.43 0.29 0.00 0.00 0.00 175.10 176.23 3kr5 n LYS 366 N 5.81 0.61 -3.74 2.72 5.02 0.15 -4.96 118.16 123.77 3kr5 n LYS 366 Ca -0.01 -0.18 -0.14 0.00 -2.02 0.00 0.00 58.31 55.96 3kr5 n LYS 366 Cb 0.49 -1.47 -0.14 0.00 -0.02 0.00 0.00 35.03 33.88 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 -3.36 0.10 -0.14 1.97 2.47 -0.90 -5.04 119.74 114.83 3kr5 s LYS 367 Ca -0.07 0.39 -0.00 0.00 -1.56 0.00 0.00 55.97 54.72 3kr5 s LYS 367 Cb 0.13 -0.18 -0.01 0.00 -1.46 0.00 0.00 37.83 36.30 3kr5 s LYS 367 CO 0.82 -0.17 -0.13 0.15 0.16 0.00 0.00 175.35 176.18 3kr5 s LYS 368 N 1.22 3.33 -0.04 4.03 1.02 -1.26 -0.79 119.74 127.26 3kr5 s LYS 368 Ca -0.09 -0.70 0.03 0.00 0.02 0.00 0.00 55.97 55.23 3kr5 s LYS 368 Cb -0.12 -2.64 0.01 0.00 -0.52 0.00 0.00 37.83 34.56 3kr5 s LYS 368 CO -0.06 0.14 -0.12 0.42 -0.92 0.00 0.00 175.35 174.81 3kr5 s ILE 369 N 0.53 1.03 -0.21 2.17 1.01 -0.01 0.95 121.20 126.68 3kr5 s ILE 369 Ca -0.09 -0.47 -0.04 0.00 0.00 0.00 0.00 60.65 60.06 3kr5 s ILE 369 Cb -0.16 -0.92 -0.01 0.00 0.01 0.00 0.00 42.46 41.38 3kr5 s ILE 369 CO 0.04 0.32 -0.04 0.00 0.00 0.00 0.00 174.94 175.26 3kr5 s ALA 370 N 0.35 2.85 -0.24 9.38 0.00 0.20 0.03 121.76 134.33 3kr5 s ALA 370 Ca -0.07 -1.11 -0.07 0.00 0.00 0.00 0.00 51.96 50.71 3kr5 s ALA 370 Cb -0.12 -1.69 -0.03 0.00 0.00 0.00 0.00 23.12 21.29 3kr5 s ALA 370 CO 0.02 -0.32 0.05 -0.51 0.00 0.00 0.00 175.76 175.01 3kr5 s LEU 371 N 1.29 3.38 -0.18 0.00 1.43 0.22 -1.03 118.68 123.79 3kr5 s LEU 371 Ca 0.04 -0.22 -0.02 0.00 -1.03 0.00 0.00 54.13 52.90 3kr5 s LEU 371 Cb -0.14 -1.90 -0.01 0.00 0.03 0.00 0.00 46.19 44.17 3kr5 s LEU 371 CO -0.01 -0.03 -0.10 -0.69 0.23 0.00 0.00 176.35 175.75 3kr5 s VAL 372 N 1.55 3.03 -0.08 -1.59 1.01 0.17 -0.30 120.40 124.19 3kr5 s VAL 372 Ca 0.06 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.42 3kr5 s VAL 372 Cb -0.15 -2.32 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 3kr5 s VAL 372 CO 0.03 0.48 -0.09 -0.83 0.00 0.00 0.00 175.10 174.69 3kr5 s GLY 373 N 1.00 1.63 0.09 4.51 0.00 0.29 0.21 107.32 115.05 3kr5 s GLY 373 Ca -0.01 -0.90 -0.31 0.00 0.00 0.00 0.00 44.72 43.50 3kr5 s GLY 373 CO -0.01 -0.55 1.51 1.25 0.00 0.00 0.00 173.10 175.30 3kr5 s LYS 374 N -0.49 4.25 -0.48 2.90 2.20 -0.51 -4.14 119.74 123.48 3kr5 s LYS 374 Ca 0.07 2.20 0.07 0.00 -0.36 0.00 0.00 55.97 57.95 3kr5 s LYS 374 Cb -0.12 -3.39 0.38 0.00 -1.51 0.00 0.00 37.83 33.19 3kr5 s LYS 374 CO 0.02 -0.59 0.97 0.41 -0.36 0.00 0.00 175.35 175.80 3kr5 n GLY 375 N 3.73 5.05 3.48 5.54 0.00 -1.26 -1.09 105.19 120.65 3kr5 n GLY 375 Ca 0.14 -2.48 -0.43 0.00 0.00 0.00 0.00 46.02 43.24 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 -4.41 4.50 0.35 -0.61 -1.09 -0.72 -1.63 121.20 117.59 3kr5 s ILE 376 Ca 0.45 -0.13 0.15 0.00 -2.23 0.00 0.00 60.65 58.89 3kr5 s ILE 376 Cb 0.35 -4.52 0.12 0.00 -1.58 0.00 0.00 42.46 36.83 3kr5 s ILE 376 CO -0.13 -1.14 1.85 0.71 -1.23 0.00 0.00 174.94 175.00 3kr5 h THR 377 N 5.97 1.13 -2.60 2.92 1.35 -1.16 -1.91 112.91 118.61 3kr5 h THR 377 Ca -0.27 -1.20 -0.10 0.00 -0.55 0.00 0.00 66.41 64.28 3kr5 h THR 377 Cb 1.08 1.67 -0.25 0.00 -1.73 0.00 0.00 68.15 68.91 3kr5 h THR 377 CO 1.09 0.33 -0.25 0.12 -0.25 0.00 0.00 175.52 176.56 3kr5 s PHE 378 N -4.13 -0.61 -0.50 4.73 5.36 -1.26 -4.32 117.98 117.25 3kr5 s PHE 378 Ca -0.02 1.33 -0.02 0.00 -0.96 0.00 0.00 56.93 57.26 3kr5 s PHE 378 Cb 0.14 0.27 0.13 0.00 -0.34 0.00 0.00 43.02 43.22 3kr5 s PHE 378 CO 0.70 -0.33 0.29 0.34 -1.46 0.00 0.00 175.22 174.76 3kr5 s ASP 379 N 1.14 5.11 0.38 6.13 2.15 -1.18 -0.62 116.67 129.78 3kr5 s ASP 379 Ca -0.07 -2.47 0.27 0.00 0.43 0.00 0.00 52.55 50.71 3kr5 s ASP 379 Cb -0.07 -1.80 0.96 0.00 -0.30 0.00 0.00 42.92 41.71 3kr5 s ASP 379 CO -0.10 -0.43 1.80 0.77 -0.17 0.00 0.00 175.17 177.03 3kr5 h SER 380 N 7.45 0.00 0.00 -0.34 4.64 -1.65 -3.45 113.55 120.20 3kr5 h SER 380 Ca -0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3kr5 h SER 380 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 3kr5 h SER 380 CO 0.69 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 177.26 3kr5 n GLY 381 N 0.46 3.25 7.00 -0.77 0.00 -1.26 -0.82 105.19 113.05 3kr5 n GLY 381 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3kr5 n GLY 381 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kr5 n GLY 382 N -1.52 -0.08 0.37 -0.02 0.00 -1.26 -1.71 105.19 100.97 3kr5 n GLY 382 Ca 0.00 -0.99 0.17 0.00 0.00 0.00 0.00 46.02 45.21 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 0.15 0.00 1.61 0.05 -1.81 -0.24 116.97 116.73 3kr5 h TYR 383 Ca 0.00 0.00 -0.48 0.00 0.05 0.00 0.00 58.73 58.30 3kr5 h TYR 383 Cb 0.00 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 37.70 3kr5 h TYR 383 CO 0.00 0.06 2.54 0.09 -1.05 0.00 0.00 178.16 179.81 3kr5 n ASN 384 N -4.42 6.99 -4.62 3.88 4.13 -1.21 -4.95 115.26 115.06 3kr5 n ASN 384 Ca 0.10 -2.47 -0.44 0.00 1.68 0.00 0.00 54.58 53.44 3kr5 n ASN 384 Cb 0.53 -1.40 -0.01 0.00 -1.54 0.00 0.00 39.78 37.36 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 3.43 2.24 -4.57 3.41 7.94 -0.10 -4.44 117.00 124.90 3kr5 n LEU 385 Ca 0.62 1.19 -0.27 0.00 -1.11 0.00 0.00 56.01 56.44 3kr5 n LEU 385 Cb 0.37 -1.34 -0.06 0.00 0.53 0.00 0.00 43.42 42.92 3kr5 n LEU 385 CO 0.64 -1.16 1.39 -0.54 -1.11 0.00 0.00 177.39 176.61 3kr5 s LYS 386 N -1.58 2.49 0.00 1.96 1.02 0.00 -4.48 119.74 119.15 3kr5 s LYS 386 Ca 0.58 -0.56 0.00 0.00 0.02 0.00 0.00 55.97 56.01 3kr5 s LYS 386 Cb -0.67 -5.11 0.00 0.00 -0.52 0.00 0.00 37.83 31.52 3kr5 s LYS 386 CO 0.60 -3.63 0.00 0.00 -0.92 0.00 0.00 175.35 171.40 3kr5 n ALA 387 N 14.30 1.91 -1.75 5.17 0.00 -1.26 -4.66 120.51 134.21 3kr5 n ALA 387 Ca 0.42 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.48 3kr5 n ALA 387 Cb 0.47 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.95 3kr5 n ALA 387 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kr5 s ALA 388 N -1.83 2.84 0.30 0.00 0.00 -1.26 -4.95 121.76 116.85 3kr5 s ALA 388 Ca 0.00 1.26 -0.30 0.00 0.00 0.00 0.00 51.96 52.92 3kr5 s ALA 388 Cb 0.00 -3.53 -0.12 0.00 0.00 0.00 0.00 23.12 19.46 3kr5 s ALA 388 CO 0.00 -1.25 1.45 -2.30 0.00 0.00 0.00 175.76 173.67 3kr5 n PRO 389 N -0.95 2.36 -0.97 0.00 -0.02 -1.26 -2.11 135.00 132.06 3kr5 n PRO 389 Ca 0.10 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 3kr5 n PRO 389 Cb 0.46 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 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 1.63 0.84 0.10 -1.23 0.00 -1.26 -4.89 105.19 100.38 3kr5 n GLY 390 Ca 0.08 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 0.71 -3.73 1.61 3.41 -0.90 -4.94 113.62 109.78 3kr5 n SER 391 Ca 0.00 0.59 -0.23 0.00 -0.26 0.00 0.00 58.87 58.97 3kr5 n SER 391 Cb 0.00 -0.77 0.03 0.00 -0.26 0.00 0.00 64.21 63.21 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 -2.19 -5.16 0.07 4.33 2.81 -1.26 -4.84 117.12 110.88 3kr5 n MET 392 Ca 0.05 0.63 0.19 0.00 -1.81 0.00 0.00 57.70 56.75 3kr5 n MET 392 Cb 0.37 -5.28 0.72 0.00 -0.71 0.00 0.00 33.22 28.32 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 -1.93 0.66 0.00 2.02 2.10 -1.92 -0.16 117.51 118.27 3kr5 h ILE 393 Ca -0.60 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.34 3kr5 h ILE 393 Cb 1.36 0.77 0.00 0.00 -1.09 0.00 0.00 36.82 37.86 3kr5 h ILE 393 CO 0.58 0.00 0.00 -0.90 -1.08 0.00 0.00 178.15 176.75 3kr5 n ASP 394 N -4.19 0.47 0.04 2.19 5.75 -1.26 -1.98 116.55 117.56 3kr5 n ASP 394 Ca 0.07 0.58 0.12 0.00 -0.01 0.00 0.00 54.79 55.55 3kr5 n ASP 394 Cb 0.51 -0.69 0.13 0.00 -1.03 0.00 0.00 41.12 40.04 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 -1.98 0.65 0.00 -2.12 7.94 -0.07 -4.61 117.00 116.81 3kr5 n LEU 395 Ca 0.04 0.13 0.07 0.00 -1.11 0.00 0.00 56.01 55.14 3kr5 n LEU 395 Cb 0.29 -0.16 0.40 0.00 0.53 0.00 0.00 43.42 44.48 3kr5 n LEU 395 CO 0.23 -0.00 0.70 0.23 -1.11 0.00 0.00 177.39 177.43 3kr5 n MET 396 N -2.00 0.29 0.28 1.96 2.81 -0.84 -0.80 117.12 118.83 3kr5 n MET 396 Ca 0.03 0.10 0.17 0.00 -1.81 0.00 0.00 57.70 56.20 3kr5 n MET 396 Cb 0.43 -1.50 0.92 0.00 -0.71 0.00 0.00 33.22 32.36 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 -0.12 0.03 2.10 -1.82 -2.65 116.57 114.12 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 0.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.43 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 -2.77 0.15 1.99 0.07 -0.00 0.02 -4.05 117.46 112.87 3kr5 n PHE 398 Ca -0.02 -0.08 0.09 0.00 -0.00 0.00 0.00 57.45 57.45 3kr5 n PHE 398 Cb 0.15 0.00 0.56 0.00 -0.00 0.00 0.00 39.48 40.19 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 -0.00 0.00 -0.87 5.98 2.03 -1.01 -1.62 116.55 121.06 3kr5 n ASP 399 Ca 0.15 -1.39 0.07 0.00 0.52 0.00 0.00 54.79 54.14 3kr5 n ASP 399 Cb 0.25 0.00 0.22 0.00 -0.72 0.00 0.00 41.12 40.87 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 -0.80 3.02 -0.34 -0.67 0.00 -0.72 -1.76 117.12 115.85 3kr5 n MET 400 Ca 0.14 -2.47 0.17 0.00 0.00 0.00 0.00 57.70 55.54 3kr5 n MET 400 Cb 0.07 -1.58 0.39 0.00 0.00 0.00 0.00 33.22 32.09 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 2.24 0.67 -0.35 3.17 0.02 -1.47 0.37 113.55 118.21 3kr5 h SER 401 Ca 0.00 0.11 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 3kr5 h SER 401 Cb 1.11 -0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.63 3kr5 h SER 401 CO 0.12 0.17 0.12 1.23 -1.14 0.00 0.00 176.83 177.33 3kr5 h GLY 402 N 0.62 0.57 1.14 -3.77 0.00 -1.72 0.61 103.07 100.51 3kr5 h GLY 402 Ca 0.61 -0.33 -0.06 0.00 0.00 0.00 0.00 47.33 47.55 3kr5 h GLY 402 CO -0.40 0.31 0.18 0.00 0.00 0.00 0.00 176.54 176.63 3kr5 h ALA 404 N 1.17 0.53 -0.51 0.00 0.00 0.67 -0.74 119.26 120.39 3kr5 h ALA 404 Ca 0.22 -0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.10 3kr5 h ALA 404 Cb 0.33 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3kr5 h ALA 404 CO -0.00 0.00 0.31 0.00 0.00 0.00 0.00 179.25 179.56 3kr5 h ALA 405 N 1.13 0.65 -0.79 0.00 0.00 0.67 0.25 119.26 121.17 3kr5 h ALA 405 Ca 0.15 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 3kr5 h ALA 405 Cb -0.03 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 3kr5 h ALA 405 CO -0.03 0.02 0.40 0.28 0.00 0.00 0.00 179.25 179.92 3kr5 h VAL 406 N 0.62 1.25 -0.21 0.00 2.07 -1.00 0.15 116.25 119.12 3kr5 h VAL 406 Ca 0.20 -0.67 -0.17 0.00 0.82 0.00 0.00 66.70 66.89 3kr5 h VAL 406 Cb -0.00 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 29.99 3kr5 h VAL 406 CO -0.08 0.29 -0.54 -0.07 0.02 0.00 0.00 177.57 177.19 3kr5 h LEU 407 N 1.12 0.70 -0.76 2.57 3.38 -0.07 0.33 115.31 122.57 3kr5 h LEU 407 Ca 0.28 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.83 3kr5 h LEU 407 Cb 0.09 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3kr5 h LEU 407 CO -0.04 1.10 0.32 1.23 0.09 0.00 0.00 178.44 181.15 3kr5 h GLY 408 N 0.98 1.22 0.95 0.83 0.00 -0.25 -0.45 103.07 106.33 3kr5 h GLY 408 Ca 0.01 -0.65 -0.04 0.00 0.00 0.00 0.00 47.33 46.66 3kr5 h GLY 408 CO 0.11 0.61 0.12 0.00 0.00 0.00 0.00 176.54 177.38 3kr5 h ALA 410 N 0.98 1.57 -0.10 0.00 0.00 -0.44 0.29 119.26 121.56 3kr5 h ALA 410 Ca 0.14 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3kr5 h ALA 410 Cb 0.28 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3kr5 h ALA 410 CO -0.00 0.07 0.07 -0.92 0.00 0.00 0.00 179.25 178.46 3kr5 h TYR 411 N 0.86 0.13 -0.04 0.00 3.20 -0.48 0.12 116.97 120.76 3kr5 h TYR 411 Ca 0.54 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.41 3kr5 h TYR 411 Cb 0.70 -0.04 -0.00 0.00 1.54 0.00 0.00 36.73 38.92 3kr5 h TYR 411 CO -0.01 0.10 0.02 0.00 -1.64 0.00 0.00 178.16 176.63 3kr5 h VAL 413 N -0.08 1.08 -0.08 0.00 2.07 -0.50 0.58 116.25 119.32 3kr5 h VAL 413 Ca 0.01 -0.19 0.02 0.00 0.82 0.00 0.00 66.70 67.37 3kr5 h VAL 413 Cb 0.15 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 30.74 3kr5 h VAL 413 CO -0.00 0.08 0.06 1.23 0.02 0.00 0.00 177.57 178.95 3kr5 h GLY 414 N 0.26 0.00 0.37 2.17 0.00 -0.66 0.26 103.07 105.47 3kr5 h GLY 414 Ca 0.08 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.11 3kr5 h GLY 414 CO -0.01 0.00 -1.61 -0.84 0.00 0.00 0.00 176.54 174.07 3kr5 h THR 415 N 0.00 0.80 0.00 4.70 2.02 -0.41 -3.36 112.91 116.66 3kr5 h THR 415 Ca 0.04 -2.29 0.00 0.00 0.77 0.00 0.00 66.41 64.93 3kr5 h THR 415 Cb 0.15 2.43 0.00 0.00 -1.74 0.00 0.00 68.15 68.99 3kr5 h THR 415 CO -0.00 0.64 -0.17 -0.07 0.37 0.00 0.00 175.52 176.29 3kr5 h LEU 416 N -0.41 0.00 -3.25 2.58 3.38 0.30 -3.48 115.31 114.43 3kr5 h LEU 416 Ca -0.38 -0.04 -0.40 0.00 0.09 0.00 0.00 57.88 57.16 3kr5 h LEU 416 Cb 1.71 0.00 0.06 0.00 0.09 0.00 0.00 40.66 42.51 3kr5 h LEU 416 CO -0.03 0.02 -0.85 0.29 0.09 0.00 0.00 178.44 177.95 3kr5 n LYS 417 N -2.46 -1.21 -1.06 1.13 5.02 0.89 -4.93 118.16 115.54 3kr5 n LYS 417 Ca 0.04 0.61 -0.32 0.00 -2.02 0.00 0.00 58.31 56.62 3kr5 n LYS 417 Cb 0.46 -3.93 0.12 0.00 -0.02 0.00 0.00 35.03 31.67 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 -5.54 1.67 0.26 1.97 0.04 -1.26 -5.02 135.00 127.13 3kr5 s PRO 418 Ca 0.35 1.50 0.06 0.00 0.04 0.00 0.00 61.00 62.94 3kr5 s PRO 418 Cb -0.13 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 3kr5 s PRO 418 CO 0.86 -2.13 0.34 -1.21 0.04 0.00 0.00 177.00 174.90 3kr5 s GLU 419 N -4.51 3.25 -1.46 4.56 2.02 -1.26 -4.59 118.70 116.71 3kr5 s GLU 419 Ca 0.67 -0.89 0.00 0.00 0.02 0.00 0.00 54.97 54.78 3kr5 s GLU 419 Cb -0.23 -2.79 0.00 0.00 0.10 0.00 0.00 34.13 31.21 3kr5 s GLU 419 CO 0.54 0.35 0.00 0.09 0.02 0.00 0.00 175.26 176.25 3kr5 n ASN 420 N -1.40 -5.23 -4.26 -0.19 3.02 -1.25 -4.96 115.26 100.99 3kr5 n ASN 420 Ca -0.07 0.34 -0.26 0.00 -0.03 0.00 0.00 54.58 54.56 3kr5 n ASN 420 Cb 0.57 -3.95 -0.14 0.00 -0.61 0.00 0.00 39.78 35.66 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 -2.32 1.70 -0.20 2.41 -7.23 -1.26 0.34 120.40 113.84 3kr5 s VAL 421 Ca 0.00 -1.19 0.00 0.00 -1.81 0.00 0.00 61.98 58.98 3kr5 s VAL 421 Cb 0.00 -1.47 0.02 0.00 0.56 0.00 0.00 36.38 35.49 3kr5 s VAL 421 CO 0.00 0.24 -0.15 -0.70 -0.31 0.00 0.00 175.10 174.18 3kr5 s GLU 422 N -1.13 2.91 -0.12 4.82 2.12 0.03 -0.71 118.70 126.62 3kr5 s GLU 422 Ca 0.08 -0.90 0.01 0.00 0.36 0.00 0.00 54.97 54.52 3kr5 s GLU 422 Cb -0.09 -2.72 -0.02 0.00 0.26 0.00 0.00 34.13 31.57 3kr5 s GLU 422 CO 0.02 -0.28 -0.14 0.42 -0.54 0.00 0.00 175.26 174.74 3kr5 s ILE 423 N 1.29 3.00 -0.21 -3.70 1.01 0.22 -0.83 121.20 121.99 3kr5 s ILE 423 Ca 0.03 -0.69 -0.06 0.00 0.00 0.00 0.00 60.65 59.92 3kr5 s ILE 423 Cb -0.15 -2.25 -0.03 0.00 0.01 0.00 0.00 42.46 40.05 3kr5 s ILE 423 CO -0.10 0.53 0.04 -1.00 0.00 0.00 0.00 174.94 174.42 3kr5 s HIS 424 N 0.21 3.11 -0.27 3.97 3.76 0.10 -0.10 115.29 126.07 3kr5 s HIS 424 Ca -0.08 -0.26 -0.08 0.00 -0.15 0.00 0.00 55.06 54.48 3kr5 s HIS 424 Cb -0.15 -2.12 -0.02 0.00 1.11 0.00 0.00 32.58 31.40 3kr5 s HIS 424 CO 0.05 -0.13 0.10 -0.06 -0.85 0.00 0.00 174.74 173.85 3kr5 s PHE 425 N 0.94 3.12 -0.02 1.40 0.08 0.14 0.72 117.98 124.36 3kr5 s PHE 425 Ca 0.03 -0.47 0.06 0.00 0.12 0.00 0.00 56.93 56.67 3kr5 s PHE 425 Cb -0.14 -2.28 -0.01 0.00 -0.57 0.00 0.00 43.02 40.02 3kr5 s PHE 425 CO 0.02 -0.39 -0.20 -0.51 -0.10 0.00 0.00 175.22 174.05 3kr5 s LEU 426 N 1.62 2.02 -0.13 -0.37 1.43 0.59 0.08 118.68 123.92 3kr5 s LEU 426 Ca 0.06 -0.37 -0.06 0.00 -1.03 0.00 0.00 54.13 52.73 3kr5 s LEU 426 Cb -0.16 -1.05 0.06 0.00 0.03 0.00 0.00 46.19 45.07 3kr5 s LEU 426 CO 0.05 0.23 0.30 -0.55 0.23 0.00 0.00 176.35 176.61 3kr5 s SER 427 N -0.38 -0.17 -0.80 2.29 0.15 -0.12 -0.55 113.70 114.12 3kr5 s SER 427 Ca 0.05 0.65 -0.23 0.00 0.70 0.00 0.00 55.95 57.12 3kr5 s SER 427 Cb -0.09 0.61 0.07 0.00 -1.71 0.00 0.00 66.02 64.91 3kr5 s SER 427 CO -0.00 -0.19 1.16 0.00 1.20 0.00 0.00 173.24 175.41 3kr5 s ALA 428 N 1.66 3.00 -0.09 5.45 0.00 -1.26 0.39 121.76 130.91 3kr5 s ALA 428 Ca -0.06 -1.99 -0.14 0.00 0.00 0.00 0.00 51.96 49.77 3kr5 s ALA 428 Cb -0.10 -4.11 -0.05 0.00 0.00 0.00 0.00 23.12 18.85 3kr5 s ALA 428 CO -0.10 -3.09 0.34 0.08 0.00 0.00 0.00 175.76 172.99 3kr5 s VAL 429 N 4.35 5.21 0.21 0.00 1.01 -0.27 -3.98 120.40 126.94 3kr5 s VAL 429 Ca 0.32 0.67 -0.17 0.00 0.00 0.00 0.00 61.98 62.80 3kr5 s VAL 429 Cb -0.09 -3.66 0.06 0.00 0.00 0.00 0.00 36.38 32.69 3kr5 s VAL 429 CO 0.04 0.48 0.84 0.00 0.00 0.00 0.00 175.10 176.45 3kr5 s GLU 431 N -2.05 1.43 -0.63 0.00 2.12 -1.26 -0.65 118.70 117.66 3kr5 s GLU 431 Ca 0.18 -0.48 -0.17 0.00 0.36 0.00 0.00 54.97 54.86 3kr5 s GLU 431 Cb -0.03 -1.28 0.14 0.00 0.26 0.00 0.00 34.13 33.22 3kr5 s GLU 431 CO 0.06 0.19 0.65 1.21 -0.54 0.00 0.00 175.26 176.84 3kr5 s ASN 432 N 0.09 6.31 0.43 -1.70 2.47 0.21 -4.35 114.94 118.39 3kr5 s ASN 432 Ca -0.03 -1.83 0.06 0.00 0.42 0.00 0.00 52.86 51.47 3kr5 s ASN 432 Cb -0.10 -2.25 -0.06 0.00 -1.45 0.00 0.00 41.25 37.38 3kr5 s ASN 432 CO 0.01 -0.91 0.01 -0.04 -3.72 0.00 0.00 177.10 172.45 3kr5 s MET 433 N 1.79 2.00 -0.15 0.43 -1.94 -1.26 -1.57 119.30 118.60 3kr5 s MET 433 Ca 0.10 -2.17 -0.03 0.00 -1.71 0.00 0.00 55.69 51.88 3kr5 s MET 433 Cb -0.23 -1.59 -0.02 0.00 2.01 0.00 0.00 34.83 35.00 3kr5 s MET 433 CO 0.01 -0.13 -0.06 0.08 -0.01 0.00 0.00 175.02 174.92 3kr5 s VAL 434 N -2.77 3.65 0.05 -6.03 1.01 -1.26 -4.42 120.40 110.62 3kr5 s VAL 434 Ca 0.28 -0.44 -0.28 0.00 0.00 0.00 0.00 61.98 61.54 3kr5 s VAL 434 Cb 0.08 -2.59 0.09 0.00 0.00 0.00 0.00 36.38 33.97 3kr5 s VAL 434 CO 0.15 0.50 1.04 -0.55 0.00 0.00 0.00 175.10 176.23 3kr5 s SER 435 N 0.41 -0.19 0.43 3.32 0.15 -1.26 -4.98 113.70 111.58 3kr5 s SER 435 Ca -0.06 -0.21 0.30 0.00 0.70 0.00 0.00 55.95 56.68 3kr5 s SER 435 Cb -0.15 0.36 1.39 0.00 -1.71 0.00 0.00 66.02 65.91 3kr5 s SER 435 CO 0.03 -0.64 1.89 0.07 1.20 0.00 0.00 173.24 175.80 3kr5 h LYS 436 N 2.00 0.00 -0.01 5.44 2.10 -1.98 -2.83 116.57 121.30 3kr5 h LYS 436 Ca -0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 3kr5 h LYS 436 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 3kr5 h LYS 436 CO 0.27 0.00 -0.58 0.09 -2.00 0.00 0.00 179.45 177.23 3kr5 n ASN 437 N -2.63 1.65 -4.74 7.07 5.03 -1.26 -4.99 115.26 115.39 3kr5 n ASN 437 Ca 0.00 -1.30 -0.31 0.00 0.87 0.00 0.00 54.58 53.84 3kr5 n ASN 437 Cb 0.18 0.56 0.11 0.00 -1.02 0.00 0.00 39.78 39.61 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 -2.62 4.06 0.59 6.41 0.01 -1.07 -3.70 113.70 117.38 3kr5 s SER 438 Ca 0.16 1.96 -0.14 0.00 1.31 0.00 0.00 55.95 59.24 3kr5 s SER 438 Cb 0.18 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.83 3kr5 s SER 438 CO 0.64 -2.33 1.03 -0.72 0.41 0.00 0.00 173.24 172.27 3kr5 s TYR 439 N -2.76 3.25 0.18 2.43 1.13 -1.26 -4.83 117.35 115.49 3kr5 s TYR 439 Ca 0.64 1.45 0.08 0.00 -1.41 0.00 0.00 57.07 57.82 3kr5 s TYR 439 Cb -0.19 -2.87 -0.04 0.00 -1.10 0.00 0.00 41.96 37.75 3kr5 s TYR 439 CO 0.55 -0.85 -0.02 1.03 -2.51 0.00 0.00 175.55 173.75 3kr5 s ARG 440 N -4.42 2.32 0.22 -3.49 0.52 -1.26 -4.59 118.95 108.25 3kr5 s ARG 440 Ca 0.60 -1.15 -0.32 0.00 -0.52 0.00 0.00 55.73 54.34 3kr5 s ARG 440 Cb -0.13 -2.31 -0.13 0.00 0.52 0.00 0.00 34.95 32.90 3kr5 s ARG 440 CO 0.41 0.45 1.50 -2.30 0.02 0.00 0.00 175.30 175.38 3kr5 n PRO 441 N -0.08 2.20 0.00 3.54 -0.01 -1.26 -1.78 135.00 137.61 3kr5 n PRO 441 Ca -0.10 0.79 0.00 0.00 -0.01 0.00 0.00 63.50 64.18 3kr5 n PRO 441 Cb 0.55 -2.51 0.00 0.00 -0.01 0.00 0.00 33.50 31.54 3kr5 n PRO 441 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 175.50 175.90 3kr5 n GLY 442 N 2.62 2.26 3.58 -1.23 0.00 0.39 -5.01 105.19 107.81 3kr5 n GLY 442 Ca 0.13 -0.01 -0.47 0.00 0.00 0.00 0.00 46.02 45.67 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 0.01 1.30 -4.45 1.61 9.92 -0.74 -4.45 116.55 119.76 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 -1.25 -0.12 0.00 -0.64 0.00 0.00 41.12 39.11 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 -0.61 4.13 0.34 0.53 1.01 -1.26 -0.21 121.20 125.14 3kr5 s ILE 444 Ca 0.66 -0.24 0.09 0.00 0.00 0.00 0.00 60.65 61.16 3kr5 s ILE 444 Cb -0.77 -2.90 -0.07 0.00 0.01 0.00 0.00 42.46 38.73 3kr5 s ILE 444 CO 0.56 0.39 -0.09 0.27 0.00 0.00 0.00 174.94 176.07 3kr5 s ILE 445 N 1.26 2.22 -0.19 2.92 -4.36 0.62 -4.89 121.20 118.77 3kr5 s ILE 445 Ca 0.04 -2.20 0.01 0.00 -0.26 0.00 0.00 60.65 58.24 3kr5 s ILE 445 Cb -0.15 -2.65 0.04 0.00 1.25 0.00 0.00 42.46 40.95 3kr5 s ILE 445 CO 0.02 -0.20 -0.13 -0.89 0.24 0.00 0.00 174.94 173.98 3kr5 s THR 446 N -2.62 1.77 0.89 8.37 2.01 -1.26 0.85 115.64 125.64 3kr5 s THR 446 Ca 0.32 -1.00 -0.11 0.00 0.31 0.00 0.00 61.69 61.21 3kr5 s THR 446 Cb 0.03 -1.77 0.12 0.00 0.01 0.00 0.00 72.50 70.89 3kr5 s THR 446 CO 0.16 0.27 1.09 0.00 -0.69 0.00 0.00 174.62 175.45 3kr5 s ALA 447 N 1.36 1.58 0.09 7.40 0.00 0.05 -2.38 121.76 129.86 3kr5 s ALA 447 Ca 0.00 0.02 0.29 0.00 0.00 0.00 0.00 51.96 52.27 3kr5 s ALA 447 Cb -0.15 -3.22 1.56 0.00 0.00 0.00 0.00 23.12 21.30 3kr5 s ALA 447 CO -0.09 -2.34 1.87 0.66 0.00 0.00 0.00 175.76 175.86 3kr5 h SER 448 N -1.54 0.00 -0.45 0.00 4.64 -1.59 0.04 113.55 114.65 3kr5 h SER 448 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3kr5 h SER 448 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3kr5 h SER 448 CO 0.53 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.03 3kr5 n ASN 449 N -2.51 2.62 0.00 4.97 6.94 -1.26 -4.92 115.26 121.09 3kr5 n ASN 449 Ca -0.02 -1.96 0.00 0.00 -0.02 0.00 0.00 54.58 52.58 3kr5 n ASN 449 Cb 0.06 -0.30 0.00 0.00 -2.36 0.00 0.00 39.78 37.18 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 1.29 1.97 3.72 4.83 0.00 -0.00 -5.03 105.19 111.97 3kr5 n GLY 450 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.31 4.27 0.10 1.61 1.02 -1.26 -4.76 119.74 120.41 3kr5 s LYS 451 Ca 0.00 2.21 -0.21 0.00 0.02 0.00 0.00 55.97 57.99 3kr5 s LYS 451 Cb 0.00 -3.22 -0.07 0.00 -0.52 0.00 0.00 37.83 34.02 3kr5 s LYS 451 CO 0.00 -0.53 0.64 0.95 -0.92 0.00 0.00 175.35 175.49 3kr5 s THR 452 N 1.20 4.63 -0.09 2.17 -4.23 -1.26 -0.77 115.64 117.28 3kr5 s THR 452 Ca 0.67 1.38 0.02 0.00 -1.18 0.00 0.00 61.69 62.58 3kr5 s THR 452 Cb -0.40 -3.98 0.01 0.00 1.34 0.00 0.00 72.50 69.48 3kr5 s THR 452 CO 0.31 0.54 -0.14 -0.63 -0.54 0.00 0.00 174.62 174.16 3kr5 s ILE 453 N -1.08 1.34 -0.24 2.99 1.01 0.25 -1.46 121.20 123.99 3kr5 s ILE 453 Ca 0.31 -0.56 -0.21 0.00 0.00 0.00 0.00 60.65 60.18 3kr5 s ILE 453 Cb -0.21 -1.23 -0.02 0.00 0.01 0.00 0.00 42.46 41.02 3kr5 s ILE 453 CO 0.21 0.41 0.68 -0.70 0.00 0.00 0.00 174.94 175.54 3kr5 s GLU 454 N 0.90 4.14 -0.43 2.79 2.12 -0.13 -0.27 118.70 127.82 3kr5 s GLU 454 Ca -0.09 0.66 -0.29 0.00 0.36 0.00 0.00 54.97 55.61 3kr5 s GLU 454 Cb -0.15 -3.64 0.02 0.00 0.26 0.00 0.00 34.13 30.62 3kr5 s GLU 454 CO 0.00 -0.42 1.27 0.08 -0.54 0.00 0.00 175.26 175.66 3kr5 s VAL 455 N 2.52 4.07 -0.19 3.70 1.01 0.70 -1.02 120.40 131.19 3kr5 s VAL 455 Ca 0.29 1.10 0.19 0.00 0.00 0.00 0.00 61.98 63.56 3kr5 s VAL 455 Cb -0.15 -4.39 -0.03 0.00 0.00 0.00 0.00 36.38 31.80 3kr5 s VAL 455 CO 0.08 -0.85 1.01 1.23 0.00 0.00 0.00 175.10 176.58 3kr5 h GLY 456 N 11.63 0.00 -5.42 4.51 0.00 -1.91 1.13 103.07 113.01 3kr5 h GLY 456 Ca -0.25 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.11 3kr5 h GLY 456 CO 1.10 0.00 -0.22 0.21 0.00 0.00 0.00 176.54 177.63 3kr5 s ASN 457 N -5.69 -0.95 0.41 0.19 3.84 -1.26 -4.75 114.94 106.73 3kr5 s ASN 457 Ca -0.01 1.28 0.29 0.00 0.21 0.00 0.00 52.86 54.63 3kr5 s ASN 457 Cb 0.09 2.04 1.28 0.00 -0.55 0.00 0.00 41.25 44.10 3kr5 s ASN 457 CO 0.79 -0.23 1.87 0.71 -2.79 0.00 0.00 177.10 177.45 3kr5 h THR 458 N 6.04 0.00 0.00 -5.21 1.35 -1.90 -0.85 112.91 112.35 3kr5 h THR 458 Ca -0.18 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 3kr5 h THR 458 Cb 1.11 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.67 3kr5 h THR 458 CO 0.14 0.00 0.00 -0.67 -0.25 0.00 0.00 175.52 174.74 3kr5 n ASP 459 N -2.64 0.00 -2.56 5.36 2.03 -0.69 -3.21 116.55 114.84 3kr5 n ASP 459 Ca 0.01 0.21 -0.31 0.00 0.52 0.00 0.00 54.79 55.22 3kr5 n ASP 459 Cb 0.23 -0.40 -0.01 0.00 -0.72 0.00 0.00 41.12 40.21 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 -1.40 6.35 0.15 -1.67 0.00 -0.32 -4.68 120.51 118.94 3kr5 n ALA 460 Ca 0.10 -3.28 0.04 0.00 0.00 0.00 0.00 53.44 50.30 3kr5 n ALA 460 Cb 0.29 -2.01 0.06 0.00 0.00 0.00 0.00 19.45 17.79 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 2.79 0.00 -0.35 0.00 9.09 -1.76 -3.33 114.58 121.02 3kr5 h GLU 461 Ca 0.45 0.00 0.03 0.00 0.05 0.00 0.00 59.36 59.89 3kr5 h GLU 461 Cb 0.53 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.60 3kr5 h GLU 461 CO 1.09 0.42 0.17 0.78 0.05 0.00 0.00 179.01 181.51 3kr5 h GLY 462 N 3.55 0.47 1.66 1.06 0.00 -1.90 -2.11 103.07 105.80 3kr5 h GLY 462 Ca -0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 47.33 47.16 3kr5 h GLY 462 CO 0.05 0.09 -0.06 0.07 0.00 0.00 0.00 176.54 176.69 3kr5 h ARG 463 N 0.35 0.42 -0.23 4.80 0.11 -1.94 0.41 114.38 118.30 3kr5 h ARG 463 Ca 0.15 -0.09 -0.00 0.00 0.10 0.00 0.00 59.98 60.13 3kr5 h ARG 463 Cb 0.07 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.08 3kr5 h ARG 463 CO -0.11 0.50 0.13 -0.07 0.10 0.00 0.00 179.97 180.52 3kr5 h LEU 464 N 0.40 0.28 -0.45 0.08 3.38 -1.59 0.12 115.31 117.53 3kr5 h LEU 464 Ca 0.08 -0.07 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 3kr5 h LEU 464 Cb 0.36 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3kr5 h LEU 464 CO 0.02 0.27 -0.20 0.71 0.09 0.00 0.00 178.44 179.33 3kr5 h THR 465 N 0.27 1.27 -0.69 0.22 1.35 -0.67 -3.06 112.91 111.60 3kr5 h THR 465 Ca 0.08 -1.35 -0.04 0.00 -0.55 0.00 0.00 66.41 64.55 3kr5 h THR 465 Cb 0.05 1.18 -0.03 0.00 -1.73 0.00 0.00 68.15 67.62 3kr5 h THR 465 CO -0.01 0.46 0.28 -0.07 -0.25 0.00 0.00 175.52 175.93 3kr5 h LEU 466 N 0.78 0.93 -0.24 3.87 3.38 -0.04 -2.08 115.31 121.91 3kr5 h LEU 466 Ca 0.10 -0.13 0.06 0.00 0.09 0.00 0.00 57.88 58.01 3kr5 h LEU 466 Cb 0.77 -0.24 -0.07 0.00 0.09 0.00 0.00 40.66 41.21 3kr5 h LEU 466 CO 0.06 0.82 -0.24 0.00 0.09 0.00 0.00 178.44 179.18 3kr5 h ALA 467 N 1.31 -0.13 -0.38 1.53 0.00 -0.65 0.91 119.26 121.84 3kr5 h ALA 467 Ca 0.23 0.07 -0.10 0.00 0.00 0.00 0.00 54.91 55.12 3kr5 h ALA 467 Cb 0.18 0.50 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3kr5 h ALA 467 CO -0.02 -0.67 -0.17 -0.44 0.00 0.00 0.00 179.25 177.95 3kr5 h ASP 468 N -0.25 0.71 -0.44 0.00 3.32 -1.47 -1.53 116.42 116.76 3kr5 h ASP 468 Ca 0.13 -0.23 -0.05 0.00 0.02 0.00 0.00 57.03 56.91 3kr5 h ASP 468 Cb 0.46 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 3kr5 h ASP 468 CO -0.38 0.88 0.12 0.00 -1.72 0.00 0.00 179.24 178.14 3kr5 h ALA 469 N 1.18 1.27 -0.15 3.45 0.00 -0.64 -0.66 119.26 123.71 3kr5 h ALA 469 Ca 0.10 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 3kr5 h ALA 469 Cb 0.64 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 3kr5 h ALA 469 CO 0.04 0.51 -0.25 -0.07 0.00 0.00 0.00 179.25 179.49 3kr5 h LEU 470 N 0.74 0.47 -0.60 0.00 3.38 0.13 0.16 115.31 119.60 3kr5 h LEU 470 Ca 0.17 -0.54 0.06 0.00 0.09 0.00 0.00 57.88 57.66 3kr5 h LEU 470 Cb 0.28 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 3kr5 h LEU 470 CO -0.00 0.92 0.30 0.58 0.09 0.00 0.00 178.44 180.32 3kr5 h VAL 471 N 0.04 0.91 -0.58 1.22 2.07 -1.17 0.10 116.25 118.85 3kr5 h VAL 471 Ca 0.01 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.35 3kr5 h VAL 471 Cb 0.83 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 3kr5 h VAL 471 CO 0.06 0.10 0.38 0.22 0.02 0.00 0.00 177.57 178.34 3kr5 h TYR 472 N 0.55 0.71 -0.42 1.57 3.20 -1.01 -1.75 116.97 119.83 3kr5 h TYR 472 Ca 0.28 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.15 3kr5 h TYR 472 Cb 0.22 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 3kr5 h TYR 472 CO -0.11 0.44 0.19 0.00 -1.64 0.00 0.00 178.16 177.04 3kr5 h ALA 473 N 1.23 0.54 -0.16 1.82 0.00 0.45 -2.59 119.26 120.54 3kr5 h ALA 473 Ca 0.22 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3kr5 h ALA 473 Cb -0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 3kr5 h ALA 473 CO -0.06 0.11 -0.27 1.49 0.00 0.00 0.00 179.25 180.52 3kr5 h GLU 474 N 0.53 0.30 0.00 0.00 4.81 -0.72 -0.39 114.58 119.11 3kr5 h GLU 474 Ca 0.14 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3kr5 h GLU 474 Cb 0.14 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.50 3kr5 h GLU 474 CO -0.02 0.56 0.00 0.87 -0.73 0.00 0.00 179.01 179.69 3kr5 h LYS 475 N 0.27 0.00 0.00 1.92 1.57 -0.92 -1.06 116.57 118.35 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 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 3kr5 h LYS 475 CO 0.05 0.00 0.00 -0.07 -0.57 0.00 0.00 179.45 178.86 3kr5 h LEU 476 N 0.00 0.00 -2.46 2.94 4.07 -0.91 -3.48 115.31 115.48 3kr5 h LEU 476 Ca 0.00 0.00 -0.19 0.00 0.08 0.00 0.00 57.88 57.77 3kr5 h LEU 476 Cb 0.20 0.00 0.14 0.00 1.08 0.00 0.00 40.66 42.08 3kr5 h LEU 476 CO 0.00 0.00 -0.60 0.61 -1.08 0.00 0.00 178.44 177.37 3kr5 n GLY 477 N 0.87 -0.49 4.00 0.83 0.00 -0.40 -5.05 105.19 104.94 3kr5 n GLY 477 Ca 0.04 0.27 -0.18 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.27 3.49 -0.02 1.61 -7.23 -1.26 -4.94 120.40 108.78 3kr5 s VAL 478 Ca 0.27 -1.01 -0.07 0.00 -1.81 0.00 0.00 61.98 59.36 3kr5 s VAL 478 Cb -0.04 -3.19 -0.29 0.00 0.56 0.00 0.00 36.38 33.42 3kr5 s VAL 478 CO 0.53 -0.07 0.78 0.44 -0.31 0.00 0.00 175.10 176.46 3kr5 h ASP 479 N 0.78 0.50 -4.28 4.85 3.32 0.20 -3.47 116.42 118.32 3kr5 h ASP 479 Ca -0.43 -0.71 -0.47 0.00 0.02 0.00 0.00 57.03 55.45 3kr5 h ASP 479 Cb 1.27 -0.16 -0.26 0.00 0.22 0.00 0.00 39.33 40.40 3kr5 h ASP 479 CO 0.49 1.60 -0.80 -0.31 -1.72 0.00 0.00 179.24 178.49 3kr5 s TYR 480 N -2.60 1.27 -0.18 4.55 2.02 -0.94 -3.78 117.35 117.70 3kr5 s TYR 480 Ca -0.12 -0.32 0.01 0.00 -0.37 0.00 0.00 57.07 56.27 3kr5 s TYR 480 Cb 0.06 -0.78 0.02 0.00 -0.40 0.00 0.00 41.96 40.87 3kr5 s TYR 480 CO 0.86 0.02 -0.19 0.42 -1.57 0.00 0.00 175.55 175.09 3kr5 s ILE 481 N -0.68 2.02 -0.18 2.71 1.01 -0.52 -0.63 121.20 124.93 3kr5 s ILE 481 Ca 0.03 -0.95 -0.00 0.00 0.00 0.00 0.00 60.65 59.73 3kr5 s ILE 481 Cb -0.07 -1.85 0.01 0.00 0.01 0.00 0.00 42.46 40.56 3kr5 s ILE 481 CO 0.01 0.50 -0.15 -0.69 0.00 0.00 0.00 174.94 174.61 3kr5 s VAL 482 N 1.30 2.55 0.13 2.92 1.01 -0.20 -1.06 120.40 127.05 3kr5 s VAL 482 Ca 0.04 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.28 3kr5 s VAL 482 Cb -0.13 -2.09 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 3kr5 s VAL 482 CO -0.12 0.51 0.12 1.51 0.00 0.00 0.00 175.10 177.11 3kr5 s ASP 483 N 1.14 5.55 -0.06 3.32 1.47 -0.23 0.45 116.67 128.31 3kr5 s ASP 483 Ca 0.01 -0.07 -0.02 0.00 1.18 0.00 0.00 52.55 53.64 3kr5 s ASP 483 Cb -0.14 -1.47 0.04 0.00 -0.34 0.00 0.00 42.92 41.00 3kr5 s ASP 483 CO -0.06 0.11 0.12 -0.51 0.68 0.00 0.00 175.17 175.51 3kr5 s ILE 484 N -1.61 -0.10 -0.20 2.11 2.07 0.13 -0.09 121.20 123.51 3kr5 s ILE 484 Ca 0.30 0.24 -0.22 0.00 -1.41 0.00 0.00 60.65 59.56 3kr5 s ILE 484 Cb -0.11 -0.21 0.06 0.00 0.13 0.00 0.00 42.46 42.33 3kr5 s ILE 484 CO 0.23 0.10 0.61 0.00 -1.91 0.00 0.00 174.94 173.97 3kr5 s ALA 485 N 1.44 -1.52 -1.26 1.50 0.00 -0.31 -1.42 121.76 120.19 3kr5 s ALA 485 Ca -0.06 1.63 -0.16 0.00 0.00 0.00 0.00 51.96 53.37 3kr5 s ALA 485 Cb -0.12 -0.84 0.11 0.00 0.00 0.00 0.00 23.12 22.27 3kr5 s ALA 485 CO -0.05 -0.30 1.62 0.95 0.00 0.00 0.00 175.76 177.98 3kr5 s THR 486 N 0.07 4.46 -0.17 0.00 -4.23 -1.26 -0.39 115.64 114.11 3kr5 s THR 486 Ca -0.02 -2.17 -0.05 0.00 -1.18 0.00 0.00 61.69 58.27 3kr5 s THR 486 Cb -0.04 -5.09 -0.23 0.00 1.34 0.00 0.00 72.50 68.49 3kr5 s THR 486 CO 0.02 -1.87 0.15 -0.11 -0.54 0.00 0.00 174.62 172.27 3kr5 n LEU 487 N 7.37 2.70 -3.71 4.79 7.94 -1.26 -4.72 117.00 130.10 3kr5 n LEU 487 Ca 0.44 0.11 -0.16 0.00 -1.11 0.00 0.00 56.01 55.29 3kr5 n LEU 487 Cb 0.45 -1.04 -0.16 0.00 0.53 0.00 0.00 43.42 43.20 3kr5 n LEU 487 CO 0.71 0.85 -0.29 0.42 -1.11 0.00 0.00 177.39 177.98 3kr5 s THR 488 N -2.54 -0.13 0.56 1.96 -4.23 -1.26 -4.94 115.64 105.07 3kr5 s THR 488 Ca -0.27 0.30 0.29 0.00 -1.18 0.00 0.00 61.69 60.83 3kr5 s THR 488 Cb 0.08 -0.20 0.41 0.00 1.34 0.00 0.00 72.50 74.13 3kr5 s THR 488 CO 0.70 0.13 1.93 1.23 -0.54 0.00 0.00 174.62 178.06 3kr5 h GLY 489 N 7.89 0.00 1.34 3.99 0.00 -1.93 -1.30 103.07 113.06 3kr5 h GLY 489 Ca -0.27 0.00 0.07 0.00 0.00 0.00 0.00 47.33 47.13 3kr5 h GLY 489 CO 0.28 0.00 0.26 0.00 0.00 0.00 0.00 176.54 177.09 3kr5 h ALA 490 N 1.56 1.88 -0.74 3.60 0.00 -1.96 -0.81 119.26 122.79 3kr5 h ALA 490 Ca 0.27 -0.01 0.15 0.00 0.00 0.00 0.00 54.91 55.33 3kr5 h ALA 490 Cb 1.25 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 19.01 3kr5 h ALA 490 CO -0.00 -0.39 0.50 0.52 0.00 0.00 0.00 179.25 179.88 3kr5 h MET 491 N 0.00 0.36 0.00 0.00 2.86 -1.62 0.63 114.93 117.16 3kr5 h MET 491 Ca 0.11 -0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.71 3kr5 h MET 491 Cb 0.64 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 32.21 3kr5 h MET 491 CO -0.00 0.24 -0.09 -0.07 1.06 0.00 0.00 176.91 178.05 3kr5 h LEU 492 N 0.38 0.00 0.00 1.22 3.38 -1.35 0.61 115.31 119.55 3kr5 h LEU 492 Ca 0.37 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.31 3kr5 h LEU 492 Cb 0.89 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 3kr5 h LEU 492 CO -0.11 0.09 -1.43 -1.22 0.09 0.00 0.00 178.44 175.86 3kr5 n TYR 493 N -3.73 0.62 -0.03 1.13 4.02 0.21 -3.58 117.16 115.79 3kr5 n TYR 493 Ca -0.02 0.18 -0.03 0.00 -0.01 0.00 0.00 57.90 58.02 3kr5 n TYR 493 Cb 0.19 -0.82 -0.01 0.00 -0.02 0.00 0.00 39.34 38.68 3kr5 n TYR 493 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 176.86 174.72 3kr5 n SER 494 N -2.56 0.78 -0.04 7.72 3.41 -0.41 -4.81 113.62 117.71 3kr5 n SER 494 Ca -0.03 0.28 0.04 0.00 -0.26 0.00 0.00 58.87 58.89 3kr5 n SER 494 Cb 0.61 -0.63 -0.16 0.00 -0.26 0.00 0.00 64.21 63.77 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 -3.28 0.00 0.00 1.04 4.77 -0.28 -5.09 117.00 114.16 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 0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 3kr5 n LEU 495 CO 0.07 0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.89 3kr5 n GLY 496 N 1.50 -0.41 0.92 -0.72 0.00 0.05 -4.27 105.19 102.25 3kr5 n GLY 496 Ca -0.13 -1.50 0.12 0.00 0.00 0.00 0.00 46.02 44.51 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 0.13 -0.04 2.61 -2.24 -1.26 -4.16 114.28 109.33 3kr5 n THR 497 Ca 0.00 -0.51 -0.04 0.00 -2.27 0.00 0.00 64.05 61.22 3kr5 n THR 497 Cb 0.00 1.17 -0.04 0.00 -2.10 0.00 0.00 70.33 69.36 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 1.16 3.38 -4.41 3.42 7.64 -1.26 -4.38 113.62 119.18 3kr5 n SER 498 Ca 0.16 -0.02 -0.33 0.00 1.01 0.00 0.00 58.87 59.68 3kr5 n SER 498 Cb 0.55 0.26 -0.13 0.00 -1.01 0.00 0.00 64.21 63.88 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 -2.16 2.91 0.70 1.43 4.12 -1.26 -4.44 117.35 118.66 3kr5 s TYR 499 Ca -0.07 -0.55 -0.11 0.00 0.02 0.00 0.00 57.07 56.35 3kr5 s TYR 499 Cb 0.02 -1.92 0.01 0.00 -1.52 0.00 0.00 41.96 38.55 3kr5 s TYR 499 CO 0.23 -0.19 1.09 0.00 0.02 0.00 0.00 175.55 176.69 3kr5 s ALA 500 N 0.51 2.85 -0.04 3.71 0.00 -0.09 -4.58 121.76 124.12 3kr5 s ALA 500 Ca -0.06 -0.27 -0.03 0.00 0.00 0.00 0.00 51.96 51.60 3kr5 s ALA 500 Cb -0.15 -3.05 -0.04 0.00 0.00 0.00 0.00 23.12 19.88 3kr5 s ALA 500 CO 0.03 -1.14 0.13 0.20 0.00 0.00 0.00 175.76 174.99 3kr5 s GLY 501 N -4.26 2.11 -0.08 0.00 0.00 -0.91 -0.34 107.32 103.84 3kr5 s GLY 501 Ca 0.58 -0.77 0.03 0.00 0.00 0.00 0.00 44.72 44.56 3kr5 s GLY 501 CO 0.52 -0.61 -0.18 0.54 0.00 0.00 0.00 173.10 173.37 3kr5 s VAL 502 N -1.19 1.57 0.17 1.40 0.11 0.45 -0.61 120.40 122.29 3kr5 s VAL 502 Ca 0.22 -0.74 0.08 0.00 -2.93 0.00 0.00 61.98 58.61 3kr5 s VAL 502 Cb -0.12 -1.38 -0.04 0.00 -1.53 0.00 0.00 36.38 33.31 3kr5 s VAL 502 CO 0.13 0.45 -0.17 -0.36 -3.33 0.00 0.00 175.10 171.82 3kr5 s PHE 503 N 0.43 1.74 -0.03 1.54 0.08 0.41 -0.21 117.98 121.96 3kr5 s PHE 503 Ca -0.15 -0.50 -0.30 0.00 0.12 0.00 0.00 56.93 56.10 3kr5 s PHE 503 Cb -0.16 -0.86 0.12 0.00 -0.57 0.00 0.00 43.02 41.55 3kr5 s PHE 503 CO 0.06 0.31 1.31 0.20 -0.10 0.00 0.00 175.22 177.00 3kr5 s GLY 504 N -2.77 -0.39 0.00 4.36 0.00 -1.26 0.10 107.32 107.36 3kr5 s GLY 504 Ca 0.16 0.64 0.17 0.00 0.00 0.00 0.00 44.72 45.70 3kr5 s GLY 504 CO 0.06 0.88 1.31 1.16 0.00 0.00 0.00 173.10 176.52 3kr5 n ASN 505 N -0.57 3.21 -3.66 1.64 0.23 -0.32 -4.79 115.26 111.00 3kr5 n ASN 505 Ca -0.07 -1.93 -0.15 0.00 -0.53 0.00 0.00 54.58 51.90 3kr5 n ASN 505 Cb 0.62 -0.27 -0.14 0.00 -2.08 0.00 0.00 39.78 37.92 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 -1.14 0.52 0.12 0.53 3.84 -1.26 -4.87 114.94 112.68 3kr5 s ASN 506 Ca 0.33 0.48 -0.16 0.00 0.21 0.00 0.00 52.86 53.72 3kr5 s ASN 506 Cb 0.18 0.55 -0.03 0.00 -0.55 0.00 0.00 41.25 41.41 3kr5 s ASN 506 CO 0.25 -0.24 1.62 1.05 -2.79 0.00 0.00 177.10 176.98 3kr5 h GLU 507 N 8.31 0.57 -0.53 0.43 -0.00 -1.96 -1.92 114.58 119.48 3kr5 h GLU 507 Ca -0.14 -0.14 0.06 0.00 -0.00 0.00 0.00 59.36 59.15 3kr5 h GLU 507 Cb 1.12 -0.08 -0.06 0.00 -0.00 0.00 0.00 28.75 29.73 3kr5 h GLU 507 CO 0.14 0.62 0.23 1.05 -0.00 0.00 0.00 179.01 181.05 3kr5 h GLU 508 N 0.43 0.42 -0.29 1.06 -0.00 -1.99 0.65 114.58 114.87 3kr5 h GLU 508 Ca 0.11 -0.03 -0.02 0.00 -0.00 0.00 0.00 59.36 59.43 3kr5 h GLU 508 Cb 0.30 -0.10 -0.01 0.00 -0.00 0.00 0.00 28.75 28.94 3kr5 h GLU 508 CO 0.00 0.28 0.10 1.25 -0.00 0.00 0.00 179.01 180.64 3kr5 h LEU 509 N 0.44 0.41 -0.66 3.06 5.85 -1.92 -0.97 115.31 121.52 3kr5 h LEU 509 Ca 0.25 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.83 3kr5 h LEU 509 Cb 0.23 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.11 3kr5 h LEU 509 CO -0.22 0.49 0.38 0.40 -0.34 0.00 0.00 178.44 179.14 3kr5 h ILE 510 N 0.30 1.00 -0.27 4.05 2.04 -0.85 -0.83 117.51 122.95 3kr5 h ILE 510 Ca 0.09 -0.24 -0.06 0.00 1.00 0.00 0.00 64.86 65.66 3kr5 h ILE 510 Cb 0.22 0.23 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 3kr5 h ILE 510 CO -0.00 0.13 -0.07 0.78 0.00 0.00 0.00 178.15 178.98 3kr5 h ASN 511 N 0.71 0.40 -0.27 1.72 2.35 -0.52 0.09 115.58 120.06 3kr5 h ASN 511 Ca 0.29 -0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 55.90 3kr5 h ASN 511 Cb 0.14 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 3kr5 h ASN 511 CO -0.16 0.52 -0.02 0.11 -1.65 0.00 0.00 177.43 176.23 3kr5 h LYS 512 N 0.40 0.50 -0.47 0.81 1.57 -0.23 0.72 116.57 119.86 3kr5 h LYS 512 Ca 0.08 -0.17 0.07 0.00 -1.87 0.00 0.00 60.65 58.77 3kr5 h LYS 512 Cb 0.39 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.60 3kr5 h LYS 512 CO 0.02 0.67 0.13 0.82 -0.57 0.00 0.00 179.45 180.52 3kr5 h ILE 513 N 0.27 0.80 -0.55 1.86 1.08 -0.63 0.47 117.51 120.81 3kr5 h ILE 513 Ca 0.08 -0.10 -0.05 0.00 -0.39 0.00 0.00 64.86 64.40 3kr5 h ILE 513 Cb 0.46 0.48 -0.03 0.00 -3.07 0.00 0.00 36.82 34.66 3kr5 h ILE 513 CO 0.02 0.05 0.13 -0.07 -0.69 0.00 0.00 178.15 177.59 3kr5 h LEU 514 N 0.29 0.78 -0.61 1.44 3.38 -0.64 0.54 115.31 120.48 3kr5 h LEU 514 Ca 0.23 -0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 3kr5 h LEU 514 Cb 0.27 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3kr5 h LEU 514 CO -0.26 0.77 -0.45 -0.61 0.09 0.00 0.00 178.44 177.97 3kr5 h GLN 515 N 0.81 0.57 -0.09 1.13 5.75 -0.32 -0.95 115.11 122.02 3kr5 h GLN 515 Ca 0.18 -0.31 -0.12 0.00 -0.15 0.00 0.00 58.65 58.25 3kr5 h GLN 515 Cb 0.29 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.85 3kr5 h GLN 515 CO -0.00 0.91 -0.47 0.77 -2.65 0.00 0.00 178.83 177.39 3kr5 h SER 516 N 0.46 0.24 -0.29 -0.69 0.02 0.31 -1.38 113.55 112.23 3kr5 h SER 516 Ca 0.03 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 3kr5 h SER 516 Cb 0.97 -0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.42 3kr5 h SER 516 CO 0.09 0.68 0.19 -1.28 -1.14 0.00 0.00 176.83 175.36 3kr5 h SER 517 N 0.18 0.34 -0.31 3.07 0.87 0.59 -0.29 113.55 117.99 3kr5 h SER 517 Ca 0.01 -0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 3kr5 h SER 517 Cb 0.90 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.76 3kr5 h SER 517 CO 0.07 0.26 0.20 0.11 -0.53 0.00 0.00 176.83 176.93 3kr5 h LYS 518 N 0.38 0.42 0.00 2.24 1.57 -0.64 -0.32 116.57 120.22 3kr5 h LYS 518 Ca 0.11 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.74 3kr5 h LYS 518 Cb -0.03 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.17 3kr5 h LYS 518 CO -0.02 0.30 -0.52 1.79 -0.57 0.00 0.00 179.45 180.42 3kr5 h THR 519 N 0.41 0.93 0.00 -0.16 1.35 -1.21 -3.20 112.91 111.03 3kr5 h THR 519 Ca 0.11 -2.21 0.00 0.00 -0.55 0.00 0.00 66.41 63.76 3kr5 h THR 519 Cb -0.02 2.39 0.00 0.00 -1.73 0.00 0.00 68.15 68.79 3kr5 h THR 519 CO -0.02 0.51 -0.81 0.77 -0.25 0.00 0.00 175.52 175.72 3kr5 h SER 520 N 0.00 0.00 -2.13 5.36 4.64 -0.98 -3.46 113.55 116.97 3kr5 h SER 520 Ca -0.01 -0.05 -0.36 0.00 -0.47 0.00 0.00 61.79 60.90 3kr5 h SER 520 Cb 1.34 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.39 3kr5 h SER 520 CO 0.07 0.03 -0.43 0.59 -0.87 0.00 0.00 176.83 176.22 3kr5 n ASN 521 N -2.59 -5.19 -4.28 4.97 3.02 -0.14 -4.83 115.26 106.22 3kr5 n ASN 521 Ca 0.01 0.09 -0.42 0.00 -0.03 0.00 0.00 54.58 54.23 3kr5 n ASN 521 Cb 0.52 -4.26 -0.08 0.00 -0.61 0.00 0.00 39.78 35.35 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 -4.55 2.70 0.09 3.52 2.02 -1.17 -4.91 118.70 116.39 3kr5 s GLU 522 Ca 0.00 -1.60 -0.31 0.00 0.02 0.00 0.00 54.97 53.08 3kr5 s GLU 522 Cb 0.00 -3.99 -0.08 0.00 0.10 0.00 0.00 34.13 30.15 3kr5 s GLU 522 CO 0.00 -1.13 1.55 -1.25 0.02 0.00 0.00 175.26 174.45 3kr5 s PRO 523 N 1.47 4.24 0.06 0.39 0.05 -1.26 -4.52 135.00 135.42 3kr5 s PRO 523 Ca 0.04 2.24 0.05 0.00 0.05 0.00 0.00 61.00 63.38 3kr5 s PRO 523 Cb -0.26 -3.44 -0.03 0.00 0.05 0.00 0.00 34.50 30.83 3kr5 s PRO 523 CO 0.02 -0.63 -0.15 0.08 0.05 0.00 0.00 177.00 176.37 3kr5 s VAL 524 N 2.01 1.20 -0.01 -0.36 1.01 -1.26 -0.91 120.40 122.08 3kr5 s VAL 524 Ca 0.70 -1.18 0.05 0.00 0.00 0.00 0.00 61.98 61.55 3kr5 s VAL 524 Cb -0.39 -1.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.87 3kr5 s VAL 524 CO 0.31 -0.08 -0.16 0.86 0.00 0.00 0.00 175.10 176.03 3kr5 s TRP 525 N -1.04 1.39 -0.10 5.22 -0.11 0.54 -4.88 118.94 119.95 3kr5 s TRP 525 Ca 0.01 -0.27 -0.30 0.00 1.22 0.00 0.00 56.10 56.76 3kr5 s TRP 525 Cb -0.09 -0.88 -0.02 0.00 -1.50 0.00 0.00 33.47 30.98 3kr5 s TRP 525 CO 0.02 -0.01 1.07 -0.46 -4.62 0.00 0.00 176.95 172.94 3kr5 s TRP 526 N -0.42 3.39 0.11 5.86 -0.00 -1.26 -0.41 118.94 126.21 3kr5 s TRP 526 Ca 0.06 1.47 0.10 0.00 -0.00 0.00 0.00 56.10 57.73 3kr5 s TRP 526 Cb -0.06 -3.27 -0.04 0.00 -0.00 0.00 0.00 33.47 30.10 3kr5 s TRP 526 CO -0.00 -0.58 -0.27 -0.51 -0.00 0.00 0.00 176.95 175.59 3kr5 s LEU 527 N 2.20 2.29 0.37 5.86 1.43 0.71 -4.89 118.68 126.65 3kr5 s LEU 527 Ca 0.50 -0.70 -0.20 0.00 -1.03 0.00 0.00 54.13 52.70 3kr5 s LEU 527 Cb -0.20 -1.25 -0.10 0.00 0.03 0.00 0.00 46.19 44.67 3kr5 s LEU 527 CO 0.18 0.20 0.89 -2.16 0.23 0.00 0.00 176.35 175.69 3kr5 s PRO 528 N -1.83 4.24 -0.54 1.29 0.04 -1.26 -4.31 135.00 132.63 3kr5 s PRO 528 Ca 0.13 1.04 -0.18 0.00 0.04 0.00 0.00 61.00 62.03 3kr5 s PRO 528 Cb -0.10 -2.39 0.09 0.00 0.04 0.00 0.00 34.50 32.14 3kr5 s PRO 528 CO 0.05 0.09 0.61 0.42 0.04 0.00 0.00 177.00 178.21 3kr5 s ILE 529 N -1.99 4.95 -0.49 0.56 1.01 -1.26 -4.81 121.20 119.16 3kr5 s ILE 529 Ca 0.57 -0.92 -0.24 0.00 0.00 0.00 0.00 60.65 60.06 3kr5 s ILE 529 Cb -0.11 -4.36 0.03 0.00 0.01 0.00 0.00 42.46 38.03 3kr5 s ILE 529 CO 0.16 -0.92 0.90 -0.63 0.00 0.00 0.00 174.94 174.46 3kr5 s ILE 530 N 2.37 4.48 0.45 2.92 1.01 -1.26 -4.91 121.20 126.26 3kr5 s ILE 530 Ca 0.10 0.49 0.20 0.00 0.00 0.00 0.00 60.65 61.44 3kr5 s ILE 530 Cb -0.23 -4.45 0.24 0.00 0.01 0.00 0.00 42.46 38.02 3kr5 s ILE 530 CO 0.08 -0.92 2.05 0.78 0.00 0.00 0.00 174.94 176.92 3kr5 h ASN 531 N 9.15 0.00 -1.03 3.58 2.35 -1.99 -1.86 115.58 125.78 3kr5 h ASN 531 Ca -0.25 0.00 0.30 0.00 -0.55 0.00 0.00 56.30 55.80 3kr5 h ASN 531 Cb 1.08 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.40 3kr5 h ASN 531 CO 1.04 0.14 0.74 -0.08 -1.65 0.00 0.00 177.43 177.62 3kr5 h GLU 532 N 0.00 0.01 0.00 0.81 4.81 -2.05 0.64 114.58 118.80 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 0.02 0.01 -0.16 1.88 -0.73 0.00 0.00 179.01 180.02 3kr5 h TYR 533 N 0.01 0.00 -1.05 0.92 0.99 -1.75 -3.33 116.97 112.76 3kr5 h TYR 533 Ca 0.49 0.00 0.28 0.00 2.00 0.00 0.00 58.73 61.50 3kr5 h TYR 533 Cb 1.96 0.00 -0.11 0.00 1.00 0.00 0.00 36.73 39.58 3kr5 h TYR 533 CO -0.00 0.00 0.65 -0.09 -0.00 0.00 0.00 178.16 178.72 3kr5 h ARG 534 N 0.00 0.41 0.00 4.88 9.65 -1.00 -0.54 114.38 127.77 3kr5 h ARG 534 Ca 0.00 -0.02 -0.03 0.00 -1.10 0.00 0.00 59.98 58.83 3kr5 h ARG 534 Cb 0.83 -0.09 -0.00 0.00 -1.39 0.00 0.00 29.97 29.32 3kr5 h ARG 534 CO 0.00 0.27 -0.13 0.00 2.80 0.00 0.00 179.97 182.91 3kr5 h ALA 535 N 1.67 1.53 0.00 2.80 0.00 -1.76 -0.94 119.26 122.56 3kr5 h ALA 535 Ca 0.64 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.43 3kr5 h ALA 535 Cb 1.52 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.29 3kr5 h ALA 535 CO -0.38 0.16 0.00 0.25 0.00 0.00 0.00 179.25 179.28 3kr5 n THR 536 N -4.01 0.36 1.18 0.00 -2.24 -0.21 -1.62 114.28 107.75 3kr5 n THR 536 Ca -0.02 0.09 0.13 0.00 -2.27 0.00 0.00 64.05 61.97 3kr5 n THR 536 Cb 0.21 -0.75 0.35 0.00 -2.10 0.00 0.00 70.33 68.04 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 -1.28 2.15 -4.56 3.22 4.77 -0.35 -4.21 117.00 116.74 3kr5 n LEU 537 Ca 0.10 -0.78 -0.40 0.00 -0.03 0.00 0.00 56.01 54.89 3kr5 n LEU 537 Cb 0.16 -0.05 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 3kr5 n LEU 537 CO 0.15 0.39 1.42 0.20 -1.33 0.00 0.00 177.39 178.23 3kr5 s ASN 538 N -1.86 5.74 0.54 -1.43 0.01 -0.64 0.12 114.94 117.43 3kr5 s ASN 538 Ca 0.34 0.33 -0.18 0.00 -0.71 0.00 0.00 52.86 52.64 3kr5 s ASN 538 Cb 0.20 -2.54 -0.06 0.00 0.41 0.00 0.00 41.25 39.26 3kr5 s ASN 538 CO 0.31 -2.01 1.04 -0.55 -1.51 0.00 0.00 177.10 174.38 3kr5 s SER 539 N 6.07 6.14 0.17 -1.22 0.15 -1.26 -4.81 113.70 118.94 3kr5 s SER 539 Ca 0.59 1.83 0.09 0.00 0.70 0.00 0.00 55.95 59.16 3kr5 s SER 539 Cb -0.12 -2.54 -0.05 0.00 -1.71 0.00 0.00 66.02 61.59 3kr5 s SER 539 CO 0.23 -0.92 1.37 0.50 1.20 0.00 0.00 173.24 175.62 3kr5 h LYS 540 N 0.98 0.00 0.00 5.44 1.63 -1.96 -3.41 116.57 119.25 3kr5 h LYS 540 Ca -0.48 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.17 3kr5 h LYS 540 Cb 1.21 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.82 3kr5 h LYS 540 CO 0.59 0.85 -1.52 0.66 -3.45 0.00 0.00 179.45 176.57 3kr5 n TYR 541 N -3.41 0.00 -2.40 1.91 4.01 -1.26 -5.05 117.16 110.96 3kr5 n TYR 541 Ca 0.00 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.49 3kr5 n TYR 541 Cb 0.85 -0.34 0.13 0.00 -0.31 0.00 0.00 39.34 39.66 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 -2.18 3.30 0.24 -0.72 0.00 -1.26 -4.98 121.76 116.16 3kr5 s ALA 542 Ca -0.13 -1.56 -0.03 0.00 0.00 0.00 0.00 51.96 50.25 3kr5 s ALA 542 Cb 0.04 -2.23 0.26 0.00 0.00 0.00 0.00 23.12 21.19 3kr5 s ALA 542 CO 0.19 -1.71 1.70 -0.44 0.00 0.00 0.00 175.76 175.50 3kr5 h ASP 543 N -0.82 0.77 -4.71 0.00 3.32 -1.61 -3.38 116.42 109.98 3kr5 h ASP 543 Ca -0.39 -0.23 -0.11 0.00 0.02 0.00 0.00 57.03 56.32 3kr5 h ASP 543 Cb 1.26 -0.21 -0.21 0.00 0.22 0.00 0.00 39.33 40.39 3kr5 h ASP 543 CO 0.41 0.90 -0.21 -0.51 -1.72 0.00 0.00 179.24 178.10 3kr5 s ILE 544 N -4.79 0.04 0.39 0.35 2.07 -0.54 -4.38 121.20 114.33 3kr5 s ILE 544 Ca -0.09 -0.30 -0.23 0.00 -1.41 0.00 0.00 60.65 58.62 3kr5 s ILE 544 Cb 0.14 -0.65 -0.10 0.00 0.13 0.00 0.00 42.46 41.98 3kr5 s ILE 544 CO 0.82 -0.16 0.95 0.20 -1.91 0.00 0.00 174.94 174.84 3kr5 s ASN 545 N -0.92 7.08 0.05 4.50 0.01 0.32 -0.95 114.94 125.03 3kr5 s ASN 545 Ca -0.10 1.76 -0.17 0.00 -0.71 0.00 0.00 52.86 53.65 3kr5 s ASN 545 Cb -0.04 -2.56 -0.21 0.00 0.41 0.00 0.00 41.25 38.86 3kr5 s ASN 545 CO 0.04 -0.26 1.19 -0.61 -1.51 0.00 0.00 177.10 175.95 3kr5 h GLN 546 N 2.42 0.57 -5.66 -0.60 4.15 -1.39 -3.46 115.11 111.14 3kr5 h GLN 546 Ca -0.48 -0.54 -0.50 0.00 0.77 0.00 0.00 58.65 57.90 3kr5 h GLN 546 Cb 1.19 0.14 -0.14 0.00 0.21 0.00 0.00 27.48 28.87 3kr5 h GLN 546 CO 0.63 1.17 -0.72 0.96 -1.93 0.00 0.00 178.83 178.94 3kr5 s ILE 547 N -3.46 1.84 0.49 2.39 -4.36 -1.26 -4.90 121.20 111.94 3kr5 s ILE 547 Ca -0.12 -2.21 -0.19 0.00 -0.26 0.00 0.00 60.65 57.87 3kr5 s ILE 547 Cb 0.06 -2.24 -0.08 0.00 1.25 0.00 0.00 42.46 41.44 3kr5 s ILE 547 CO 0.86 -0.45 1.00 -0.55 0.24 0.00 0.00 174.94 176.04 3kr5 s SER 548 N -3.40 6.55 -0.19 4.36 0.15 -1.26 -4.76 113.70 115.15 3kr5 s SER 548 Ca 0.26 1.73 -0.20 0.00 0.70 0.00 0.00 55.95 58.44 3kr5 s SER 548 Cb 0.00 -2.53 -0.21 0.00 -1.71 0.00 0.00 66.02 61.57 3kr5 s SER 548 CO 0.10 -0.64 0.29 0.77 1.20 0.00 0.00 173.24 174.97 3kr5 h SER 549 N 1.34 0.08 0.00 5.45 4.64 -2.01 -3.44 113.55 119.61 3kr5 h SER 549 Ca -0.48 -0.62 -0.00 0.00 -0.47 0.00 0.00 61.79 60.22 3kr5 h SER 549 Cb 1.20 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 3kr5 h SER 549 CO 0.60 1.51 -0.00 0.77 -0.87 0.00 0.00 176.83 178.84 3kr5 h SER 550 N -0.82 -0.00 -2.55 4.97 4.64 -1.94 -3.47 113.55 114.37 3kr5 h SER 550 Ca -0.33 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.45 3kr5 h SER 550 Cb 1.40 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 3kr5 h SER 550 CO -0.14 0.43 1.13 -0.69 -0.87 0.00 0.00 176.83 176.69 3kr5 s VAL 551 N -1.49 3.42 -1.19 0.95 1.01 -1.26 -4.89 120.40 116.95 3kr5 s VAL 551 Ca -0.00 0.51 0.28 0.00 0.00 0.00 0.00 61.98 62.77 3kr5 s VAL 551 Cb 0.00 -3.33 0.23 0.00 0.00 0.00 0.00 36.38 33.28 3kr5 s VAL 551 CO 0.00 -0.04 1.75 0.29 0.00 0.00 0.00 175.10 177.09 3kr5 n LYS 552 N 7.21 0.20 -1.64 2.72 5.02 -1.26 -4.45 118.16 125.97 3kr5 n LYS 552 Ca 0.18 -0.07 -0.42 0.00 -2.02 0.00 0.00 58.31 55.98 3kr5 n LYS 552 Cb 0.42 -1.50 -0.01 0.00 -0.02 0.00 0.00 35.03 33.93 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 -1.34 5.26 0.22 7.82 0.00 -1.26 -4.74 120.51 126.47 3kr5 n ALA 553 Ca 0.09 -3.79 0.09 0.00 0.00 0.00 0.00 53.44 49.83 3kr5 n ALA 553 Cb 0.32 -3.55 0.44 0.00 0.00 0.00 0.00 19.45 16.66 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 6.25 0.00 0.14 0.00 4.64 -1.98 -0.71 113.55 121.89 3kr5 h SER 554 Ca 0.55 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.72 3kr5 h SER 554 Cb 0.64 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.72 3kr5 h SER 554 CO 1.90 0.24 -0.56 0.28 -0.87 0.00 0.00 176.83 177.82 3kr5 h SER 555 N 0.00 0.49 -0.09 4.97 0.02 -1.93 0.21 113.55 117.22 3kr5 h SER 555 Ca -0.00 -0.27 -0.10 0.00 -0.84 0.00 0.00 61.79 60.58 3kr5 h SER 555 Cb 0.77 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 63.17 3kr5 h SER 555 CO 0.03 0.95 -0.33 0.40 -1.14 0.00 0.00 176.83 176.74 3kr5 h ILE 556 N 0.34 1.40 -0.44 3.27 2.04 -1.68 -2.52 117.51 119.91 3kr5 h ILE 556 Ca 0.00 -1.68 0.01 0.00 1.00 0.00 0.00 64.86 64.19 3kr5 h ILE 556 Cb 1.09 2.22 -0.03 0.00 -0.74 0.00 0.00 36.82 39.36 3kr5 h ILE 556 CO 0.10 0.49 0.28 0.58 0.00 0.00 0.00 178.15 179.60 3kr5 h VAL 557 N -0.06 1.08 -0.86 1.67 2.07 -1.07 0.44 116.25 119.52 3kr5 h VAL 557 Ca -0.01 -0.19 0.05 0.00 0.82 0.00 0.00 66.70 67.36 3kr5 h VAL 557 Cb 0.96 0.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 3kr5 h VAL 557 CO 0.07 0.10 0.56 0.00 0.02 0.00 0.00 177.57 178.32 3kr5 h ALA 558 N 1.18 1.52 -0.26 1.67 0.00 -0.63 0.14 119.26 122.88 3kr5 h ALA 558 Ca 0.17 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 3kr5 h ALA 558 Cb -0.03 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3kr5 h ALA 558 CO -0.06 0.37 -0.13 0.77 0.00 0.00 0.00 179.25 180.20 3kr5 h SER 559 N 1.00 0.56 -0.61 0.00 0.02 -0.83 0.21 113.55 113.91 3kr5 h SER 559 Ca 0.36 -0.41 0.09 0.00 -0.84 0.00 0.00 61.79 60.98 3kr5 h SER 559 Cb 0.14 -0.16 -0.07 0.00 0.14 0.00 0.00 62.40 62.45 3kr5 h SER 559 CO -0.12 0.85 0.25 -0.07 -1.14 0.00 0.00 176.83 176.60 3kr5 h LEU 560 N 0.27 0.27 -0.10 5.07 3.38 -0.43 0.89 115.31 124.66 3kr5 h LEU 560 Ca 0.06 0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.12 3kr5 h LEU 560 Cb 0.64 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 3kr5 h LEU 560 CO 0.04 0.16 -0.05 0.15 0.09 0.00 0.00 178.44 178.83 3kr5 h PHE 561 N 0.44 -0.12 -0.53 1.13 3.04 -0.31 -2.90 116.94 117.70 3kr5 h PHE 561 Ca 0.30 0.01 -0.07 0.00 3.98 0.00 0.00 57.97 62.20 3kr5 h PHE 561 Cb 0.34 0.07 -0.02 0.00 2.56 0.00 0.00 35.95 38.90 3kr5 h PHE 561 CO -0.15 -0.08 0.06 -0.07 -2.02 0.00 0.00 178.31 176.05 3kr5 h LEU 562 N -0.04 0.81 -1.53 0.59 3.38 -0.35 -2.15 115.31 116.01 3kr5 h LEU 562 Ca 0.06 -0.18 0.21 0.00 0.09 0.00 0.00 57.88 58.06 3kr5 h LEU 562 Cb 0.13 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.60 3kr5 h LEU 562 CO -0.13 0.84 0.60 0.50 0.09 0.00 0.00 178.44 180.34 3kr5 h LYS 563 N 0.80 0.37 0.00 1.13 3.64 -0.64 0.55 116.57 122.43 3kr5 h LYS 563 Ca 0.16 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 3kr5 h LYS 563 Cb 0.40 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3kr5 h LYS 563 CO 0.01 0.25 0.00 0.39 -2.27 0.00 0.00 179.45 177.83 3kr5 n GLU 564 N -4.50 0.04 -0.06 1.90 -0.58 -0.81 -1.73 120.64 114.90 3kr5 n GLU 564 Ca 0.19 0.30 0.05 0.00 -0.42 0.00 0.00 57.16 57.29 3kr5 n GLU 564 Cb 0.72 -1.50 0.08 0.00 -0.57 0.00 0.00 31.44 30.17 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 -1.44 0.17 -3.95 -0.32 3.01 0.18 -4.80 117.46 110.31 3kr5 n PHE 565 Ca 0.03 -0.19 -0.34 0.00 1.01 0.00 0.00 57.45 57.96 3kr5 n PHE 565 Cb 0.10 -0.01 -0.14 0.00 -0.01 0.00 0.00 39.48 39.42 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 -0.92 2.74 -0.03 -4.37 1.01 -0.71 -3.72 120.40 114.40 3kr5 s VAL 566 Ca 0.16 -1.53 -0.22 0.00 0.00 0.00 0.00 61.98 60.39 3kr5 s VAL 566 Cb 0.10 -2.61 -0.27 0.00 0.00 0.00 0.00 36.38 33.59 3kr5 s VAL 566 CO 0.14 -0.13 0.99 1.56 0.00 0.00 0.00 175.10 177.66 3kr5 h GLN 567 N 7.92 0.32 0.00 2.72 1.08 -1.87 -3.44 115.11 121.84 3kr5 h GLN 567 Ca -0.19 -0.42 -0.15 0.00 -1.45 0.00 0.00 58.65 56.44 3kr5 h GLN 567 Cb 1.05 0.14 -0.22 0.00 -0.05 0.00 0.00 27.48 28.40 3kr5 h GLN 567 CO 0.52 1.14 -0.55 -1.71 -0.95 0.00 0.00 178.83 177.27 3kr5 n ASN 568 N -4.23 -0.29 -4.16 1.46 5.15 -1.26 -5.09 115.26 106.83 3kr5 n ASN 568 Ca -0.12 -2.00 -0.22 0.00 -0.60 0.00 0.00 54.58 51.65 3kr5 n ASN 568 Cb 0.71 0.09 -0.14 0.00 -0.53 0.00 0.00 39.78 39.90 3kr5 n ASN 568 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3kr5 s THR 569 N 0.00 1.25 0.21 -0.44 2.01 -1.26 -5.10 115.64 112.31 3kr5 s THR 569 Ca 0.12 -0.98 -0.32 0.00 0.31 0.00 0.00 61.69 60.83 3kr5 s THR 569 Cb 0.14 -1.10 -0.11 0.00 0.01 0.00 0.00 72.50 71.43 3kr5 s THR 569 CO -0.06 0.11 1.66 0.00 -0.69 0.00 0.00 174.62 175.64 3kr5 s ALA 570 N -0.74 3.87 -0.09 7.40 0.00 -1.25 -4.91 121.76 126.04 3kr5 s ALA 570 Ca 0.04 1.52 -0.08 0.00 0.00 0.00 0.00 51.96 53.44 3kr5 s ALA 570 Cb -0.08 -3.67 0.03 0.00 0.00 0.00 0.00 23.12 19.40 3kr5 s ALA 570 CO 0.01 -0.89 0.23 -0.46 0.00 0.00 0.00 175.76 174.66 3kr5 s TRP 571 N 1.00 -0.27 0.07 0.00 -0.00 -1.26 -1.44 118.94 117.05 3kr5 s TRP 571 Ca 0.72 0.65 0.03 0.00 -0.00 0.00 0.00 56.10 57.50 3kr5 s TRP 571 Cb -0.48 0.08 -0.03 0.00 -0.00 0.00 0.00 33.47 33.04 3kr5 s TRP 571 CO 0.34 -0.14 -0.10 0.00 -0.00 0.00 0.00 176.95 177.05 3kr5 s ALA 572 N 0.34 0.90 -0.07 5.86 0.00 -0.22 -1.17 121.76 127.39 3kr5 s ALA 572 Ca -0.02 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 50.95 3kr5 s ALA 572 Cb -0.03 0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.13 3kr5 s ALA 572 CO -0.01 -0.00 -0.06 -1.58 0.00 0.00 0.00 175.76 174.11 3kr5 s HIS 573 N -1.87 1.06 -0.31 0.00 5.04 0.29 -1.06 115.29 118.44 3kr5 s HIS 573 Ca -0.02 -0.40 -0.05 0.00 -1.54 0.00 0.00 55.06 53.05 3kr5 s HIS 573 Cb -0.07 -0.93 0.03 0.00 0.04 0.00 0.00 32.58 31.66 3kr5 s HIS 573 CO 0.00 -0.33 0.05 0.42 -2.34 0.00 0.00 174.74 172.55 3kr5 s ILE 574 N 1.35 3.56 -0.48 0.89 1.01 0.86 -0.44 121.20 127.96 3kr5 s ILE 574 Ca -0.03 -1.03 -0.23 0.00 0.00 0.00 0.00 60.65 59.36 3kr5 s ILE 574 Cb -0.14 -2.94 0.03 0.00 0.01 0.00 0.00 42.46 39.43 3kr5 s ILE 574 CO -0.03 -0.03 0.82 -0.62 0.00 0.00 0.00 174.94 175.08 3kr5 s ASP 575 N 1.39 6.39 -0.18 3.58 -1.08 0.22 -1.17 116.67 125.83 3kr5 s ASP 575 Ca -0.01 -0.20 0.16 0.00 -0.52 0.00 0.00 52.55 51.98 3kr5 s ASP 575 Cb -0.18 -2.40 0.60 0.00 -1.46 0.00 0.00 42.92 39.48 3kr5 s ASP 575 CO 0.01 -1.00 1.50 2.30 0.52 0.00 0.00 175.17 178.51 3kr5 n ILE 576 N 6.15 2.29 -0.33 4.11 -5.35 0.47 -2.13 119.36 124.56 3kr5 n ILE 576 Ca 0.02 -1.66 0.03 0.00 -0.27 0.00 0.00 62.75 60.87 3kr5 n ILE 576 Cb 0.48 -0.18 0.18 0.00 -1.74 0.00 0.00 39.64 38.37 3kr5 n ILE 576 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3kr5 h ALA 577 N 2.49 1.31 0.00 -1.28 0.00 -1.83 -0.25 119.26 119.69 3kr5 h ALA 577 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3kr5 h ALA 577 Cb 1.53 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3kr5 h ALA 577 CO 0.27 0.28 -0.14 0.78 0.00 0.00 0.00 179.25 180.44 3kr5 h GLY 578 N 1.00 0.00 0.00 0.00 0.00 -1.81 -3.37 103.07 98.89 3kr5 h GLY 578 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.75 3kr5 h GLY 578 CO -0.21 0.00 -1.25 1.55 0.00 0.00 0.00 176.54 176.63 3kr5 n VAL 579 N -3.01 0.00 -0.13 4.60 3.14 -0.94 -3.99 118.33 118.00 3kr5 n VAL 579 Ca 0.03 -0.21 -0.11 0.00 -2.96 0.00 0.00 64.34 61.10 3kr5 n VAL 579 Cb 0.53 0.40 -0.02 0.00 -1.06 0.00 0.00 33.84 33.69 3kr5 n VAL 579 CO 0.00 0.00 0.00 -1.28 -6.46 0.00 0.00 176.83 169.09 3kr5 h SER 580 N 0.00 0.72 -3.25 6.55 0.87 -1.22 -3.42 113.55 113.79 3kr5 h SER 580 Ca 0.00 -0.35 -0.60 0.00 -1.23 0.00 0.00 61.79 59.61 3kr5 h SER 580 Cb 0.36 -0.20 -0.10 0.00 -0.44 0.00 0.00 62.40 62.02 3kr5 h SER 580 CO 0.00 0.90 -0.38 0.86 -0.53 0.00 0.00 176.83 177.68 3kr5 s TRP 581 N -4.83 3.46 -0.81 2.24 -0.11 -1.26 -0.82 118.94 116.80 3kr5 s TRP 581 Ca -0.13 0.51 -0.21 0.00 1.22 0.00 0.00 56.10 57.49 3kr5 s TRP 581 Cb 0.10 -2.26 0.09 0.00 -1.50 0.00 0.00 33.47 29.89 3kr5 s TRP 581 CO 0.80 0.29 1.11 1.21 -4.62 0.00 0.00 176.95 175.74 3kr5 s ASN 582 N 0.32 6.38 0.19 5.86 3.84 0.13 -4.88 114.94 126.78 3kr5 s ASN 582 Ca 0.14 -1.41 -0.11 0.00 0.21 0.00 0.00 52.86 51.69 3kr5 s ASN 582 Cb -0.12 -2.44 0.10 0.00 -0.55 0.00 0.00 41.25 38.24 3kr5 s ASN 582 CO 0.02 -1.34 1.79 -0.26 -2.79 0.00 0.00 177.10 174.52 3kr5 h PHE 583 N 9.35 0.92 -0.14 0.43 -1.00 -1.96 0.11 116.94 124.65 3kr5 h PHE 583 Ca -0.06 -0.04 -0.00 0.00 2.81 0.00 0.00 57.97 60.68 3kr5 h PHE 583 Cb 1.04 -0.29 -0.01 0.00 3.61 0.00 0.00 35.95 40.31 3kr5 h PHE 583 CO 1.09 0.68 0.07 -0.22 -1.61 0.00 0.00 178.31 178.33 3kr5 h LYS 584 N 0.90 0.20 -0.00 1.51 3.11 -1.95 -2.77 116.57 117.57 3kr5 h LYS 584 Ca 0.23 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 58.04 3kr5 h LYS 584 Cb 0.08 -0.04 0.00 0.00 -1.00 0.00 0.00 32.23 31.28 3kr5 h LYS 584 CO -0.03 0.22 -0.04 0.00 -2.81 0.00 0.00 179.45 176.79 3kr5 n ALA 585 N -2.18 2.54 -3.67 5.00 0.00 -1.10 -4.94 120.51 116.16 3kr5 n ALA 585 Ca -0.05 -0.16 -0.22 0.00 0.00 0.00 0.00 53.44 53.01 3kr5 n ALA 585 Cb 0.08 -1.45 0.05 0.00 0.00 0.00 0.00 19.45 18.13 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 -1.28 -5.83 -3.58 0.00 1.74 0.33 -5.00 116.66 103.04 3kr5 n ARG 586 Ca 0.13 0.70 -0.11 0.00 -0.77 0.00 0.00 57.85 57.79 3kr5 n ARG 586 Cb 0.27 -5.49 -0.03 0.00 -1.02 0.00 0.00 32.46 26.19 3kr5 n ARG 586 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 3kr5 s LYS 587 N -6.01 1.23 0.72 5.56 -2.85 -0.96 -5.02 119.74 112.41 3kr5 s LYS 587 Ca 0.21 -0.65 -0.11 0.00 -1.00 0.00 0.00 55.97 54.42 3kr5 s LYS 587 Cb -0.10 0.53 0.02 0.00 -2.06 0.00 0.00 37.83 36.22 3kr5 s LYS 587 CO 0.79 -0.51 1.07 -2.14 0.10 0.00 0.00 175.35 174.65 3kr5 s PRO 588 N -3.80 2.70 0.08 1.78 0.02 -1.26 0.22 135.00 134.73 3kr5 s PRO 588 Ca 0.04 1.03 0.22 0.00 0.02 0.00 0.00 61.00 62.31 3kr5 s PRO 588 Cb 0.00 -1.96 -0.15 0.00 0.02 0.00 0.00 34.50 32.41 3kr5 s PRO 588 CO -0.10 -1.29 0.78 1.63 -0.33 0.00 0.00 177.00 177.69 3kr5 n LYS 589 N -3.27 0.58 -2.26 5.54 5.02 -0.00 -4.66 118.16 119.11 3kr5 n LYS 589 Ca 0.08 -0.04 -0.11 0.00 -2.02 0.00 0.00 58.31 56.22 3kr5 n LYS 589 Cb 0.53 -1.65 -0.00 0.00 -0.02 0.00 0.00 35.03 33.89 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 1.24 -0.07 3.76 0.72 0.00 -1.26 -4.88 105.19 104.70 3kr5 n GLY 590 Ca -0.02 -0.41 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 3kr5 n GLY 590 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3kr5 s PHE 591 N -2.59 2.86 0.00 1.61 5.36 -1.26 -3.22 117.98 120.75 3kr5 s PHE 591 Ca 0.02 1.13 0.00 0.00 -0.96 0.00 0.00 56.93 57.12 3kr5 s PHE 591 Cb -0.01 -3.88 0.00 0.00 -0.34 0.00 0.00 43.02 38.79 3kr5 s PHE 591 CO 0.02 -2.69 0.00 0.41 -1.46 0.00 0.00 175.22 171.50 3kr5 n GLY 592 N 1.33 2.79 0.20 13.12 0.00 -1.26 -4.66 105.19 116.71 3kr5 n GLY 592 Ca 0.04 0.00 -0.12 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 0.64 -0.35 1.61 2.07 -1.73 0.84 116.25 119.33 3kr5 h VAL 593 Ca 0.00 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.42 3kr5 h VAL 593 Cb 0.00 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 3kr5 h VAL 593 CO 0.00 0.00 -0.16 0.03 0.02 0.00 0.00 177.57 177.46 3kr5 h ARG 594 N -0.32 0.72 -0.14 1.57 3.08 -1.90 -0.53 114.38 116.86 3kr5 h ARG 594 Ca 0.02 -0.31 0.04 0.00 0.07 0.00 0.00 59.98 59.80 3kr5 h ARG 594 Cb 0.32 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 30.30 3kr5 h ARG 594 CO -0.08 0.91 -0.17 1.25 -1.07 0.00 0.00 179.97 180.82 3kr5 h LEU 595 N 0.50 -0.54 -0.80 3.04 5.85 -1.81 0.37 115.31 121.93 3kr5 h LEU 595 Ca 0.08 0.10 -0.07 0.00 0.84 0.00 0.00 57.88 58.83 3kr5 h LEU 595 Cb 0.69 0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.95 3kr5 h LEU 595 CO 0.05 -0.22 0.12 -0.07 -0.34 0.00 0.00 178.44 177.98 3kr5 h LEU 596 N -0.21 0.97 0.06 2.25 3.38 -0.73 -0.80 115.31 120.24 3kr5 h LEU 596 Ca 0.10 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 3kr5 h LEU 596 Cb 0.36 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3kr5 h LEU 596 CO -0.27 0.96 -0.03 0.74 0.09 0.00 0.00 178.44 179.93 3kr5 h THR 597 N 0.97 1.11 -0.68 0.22 2.02 -0.49 0.10 112.91 116.16 3kr5 h THR 597 Ca 0.20 -0.59 0.13 0.00 0.77 0.00 0.00 66.41 66.93 3kr5 h THR 597 Cb 0.39 1.49 -0.09 0.00 -1.74 0.00 0.00 68.15 68.20 3kr5 h THR 597 CO 0.01 0.15 0.19 -0.33 0.37 0.00 0.00 175.52 175.91 3kr5 h GLU 598 N -0.34 0.31 -0.14 6.66 4.39 -0.19 0.33 114.58 125.60 3kr5 h GLU 598 Ca -0.01 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.71 3kr5 h GLU 598 Cb 0.30 -0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.85 3kr5 h GLU 598 CO 0.01 0.20 -0.09 0.35 -1.16 0.00 0.00 179.01 178.33 3kr5 h PHE 599 N 0.32 -0.22 -0.30 4.33 3.57 -0.77 0.12 116.94 123.97 3kr5 h PHE 599 Ca 0.37 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.88 3kr5 h PHE 599 Cb 0.58 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.42 3kr5 h PHE 599 CO -0.23 -0.14 0.14 0.28 -2.23 0.00 0.00 178.31 176.13 3kr5 h VAL 600 N -0.09 1.16 -0.19 1.41 2.07 -0.07 -3.16 116.25 117.38 3kr5 h VAL 600 Ca 0.08 -0.47 -0.10 0.00 0.82 0.00 0.00 66.70 67.04 3kr5 h VAL 600 Cb 0.22 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3kr5 h VAL 600 CO -0.20 0.17 -0.30 -0.07 0.02 0.00 0.00 177.57 177.19 3kr5 h LEU 601 N 0.35 0.37 -1.28 2.57 4.07 0.05 -3.25 115.31 118.19 3kr5 h LEU 601 Ca 0.10 -0.13 0.00 0.00 0.08 0.00 0.00 57.88 57.93 3kr5 h LEU 601 Cb 0.13 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 41.77 3kr5 h LEU 601 CO -0.01 0.66 0.00 0.59 -1.08 0.00 0.00 178.44 178.60 3kr5 n ASN 602 N -4.10 1.98 0.00 -0.43 5.03 0.37 -5.03 115.26 113.07 3kr5 n ASN 602 Ca -0.01 -1.67 0.05 0.00 0.87 0.00 0.00 54.58 53.81 3kr5 n ASN 602 Cb 0.42 -0.03 0.27 0.00 -1.02 0.00 0.00 39.78 39.41 3kr5 n ASN 602 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76