#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 4.12 -0.40 -1.46 2.12 -1.26 -4.90 118.70 116.92 3kr5 s GLU 87 Ca 0.00 0.48 -0.28 0.00 0.36 0.00 0.00 54.97 55.53 3kr5 s GLU 87 Cb 0.00 -3.63 -0.01 0.00 0.26 0.00 0.00 34.13 30.75 3kr5 s GLU 87 CO 0.00 -0.34 1.64 0.08 -0.54 0.00 0.00 175.26 176.10 3kr5 s VAL 88 N 2.27 3.63 0.48 3.70 1.01 -1.26 -4.97 120.40 125.26 3kr5 s VAL 88 Ca 0.25 0.62 -0.23 0.00 0.00 0.00 0.00 61.98 62.62 3kr5 s VAL 88 Cb -0.16 -3.93 -0.07 0.00 0.00 0.00 0.00 36.38 32.23 3kr5 s VAL 88 CO 0.09 -0.64 1.20 -2.16 0.00 0.00 0.00 175.10 173.59 3kr5 s PRO 89 N 5.54 3.62 0.36 2.72 0.04 -1.26 -4.89 135.00 141.13 3kr5 s PRO 89 Ca 0.70 1.86 0.07 0.00 0.04 0.00 0.00 61.00 63.67 3kr5 s PRO 89 Cb -0.18 -2.36 -0.07 0.00 0.04 0.00 0.00 34.50 31.93 3kr5 s PRO 89 CO 0.31 -0.69 -0.02 -0.65 0.04 0.00 0.00 177.00 176.00 3kr5 s GLN 90 N -2.76 1.81 -0.02 4.56 -0.21 -1.26 -5.02 119.66 116.76 3kr5 s GLN 90 Ca 0.65 -1.98 0.02 0.00 0.02 0.00 0.00 55.36 54.07 3kr5 s GLN 90 Cb -0.31 -1.43 -0.03 0.00 1.00 0.00 0.00 33.01 32.24 3kr5 s GLN 90 CO 0.37 -0.02 0.01 0.28 -2.12 0.00 0.00 175.29 173.81 3kr5 n VAL 91 N -0.82 0.14 -3.90 1.09 0.31 -1.26 -5.02 118.33 108.87 3kr5 n VAL 91 Ca -0.05 -0.09 -0.10 0.00 -0.01 0.00 0.00 64.34 64.09 3kr5 n VAL 91 Cb 0.66 -0.77 -0.10 0.00 -0.91 0.00 0.00 33.84 32.71 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 -2.07 0.09 0.65 2.52 -7.23 -1.26 -5.02 120.40 108.09 3kr5 s VAL 92 Ca -0.01 -0.78 0.36 0.00 -1.81 0.00 0.00 61.98 59.74 3kr5 s VAL 92 Cb 0.01 -0.42 0.37 0.00 0.56 0.00 0.00 36.38 36.90 3kr5 s VAL 92 CO 0.09 -0.43 2.14 0.77 -0.31 0.00 0.00 175.10 177.37 3kr5 h SER 93 N 4.32 0.00 1.08 4.85 4.64 -2.04 0.41 113.55 126.81 3kr5 h SER 93 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 3kr5 h SER 93 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 3kr5 h SER 93 CO 0.41 0.00 0.00 -0.07 -0.87 0.00 0.00 176.83 176.30 3kr5 h LEU 94 N 0.00 0.00 -9.63 5.97 3.38 -2.02 -3.45 115.31 109.56 3kr5 h LEU 94 Ca 0.02 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.46 3kr5 h LEU 94 Cb 0.36 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.15 3kr5 h LEU 94 CO -0.00 0.00 0.74 -1.81 0.09 0.00 0.00 178.44 177.46 3kr5 s ASP 95 N -5.49 6.77 0.43 -0.43 1.01 0.14 -4.94 116.67 114.16 3kr5 s ASP 95 Ca 0.02 2.46 -0.23 0.00 0.71 0.00 0.00 52.55 55.52 3kr5 s ASP 95 Cb 0.09 -2.60 -0.08 0.00 1.01 0.00 0.00 42.92 41.33 3kr5 s ASP 95 CO 0.53 -0.66 1.08 -2.16 0.21 0.00 0.00 175.17 174.18 3kr5 s PRO 96 N 0.47 3.99 0.00 8.23 0.04 -1.26 -4.95 135.00 141.52 3kr5 s PRO 96 Ca 0.62 1.57 0.10 0.00 0.04 0.00 0.00 61.00 63.33 3kr5 s PRO 96 Cb -0.39 -2.44 0.28 0.00 0.04 0.00 0.00 34.50 31.99 3kr5 s PRO 96 CO 0.35 -0.31 1.22 0.25 0.04 0.00 0.00 177.00 178.55 3kr5 n THR 97 N -0.33 0.94 -3.55 1.26 -2.24 -1.26 -4.78 114.28 104.33 3kr5 n THR 97 Ca 0.06 -0.97 -0.11 0.00 -2.27 0.00 0.00 64.05 60.76 3kr5 n THR 97 Cb 0.50 0.54 -0.04 0.00 -2.10 0.00 0.00 70.33 69.23 3kr5 n THR 97 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3kr5 s SER 98 N -0.99 -0.38 -0.18 3.42 1.04 -1.26 -4.60 113.70 110.75 3kr5 s SER 98 Ca 0.21 -0.15 -0.29 0.00 0.48 0.00 0.00 55.95 56.20 3kr5 s SER 98 Cb 0.11 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.75 3kr5 s SER 98 CO 0.15 -0.88 1.05 -0.63 0.98 0.00 0.00 173.24 173.91 3kr5 s ILE 99 N -3.64 4.67 0.01 -1.02 1.01 -1.25 -4.84 121.20 116.14 3kr5 s ILE 99 Ca 0.01 1.99 -0.30 0.00 0.00 0.00 0.00 60.65 62.36 3kr5 s ILE 99 Cb 0.01 -4.28 -0.09 0.00 0.01 0.00 0.00 42.46 38.10 3kr5 s ILE 99 CO -0.11 -0.12 2.00 -0.81 0.00 0.00 0.00 174.94 175.90 3kr5 n PRO 100 N 5.92 2.78 -4.17 2.79 -0.04 -1.26 -4.98 135.00 136.04 3kr5 n PRO 100 Ca 0.11 1.00 -0.34 0.00 -0.04 0.00 0.00 63.50 64.24 3kr5 n PRO 100 Cb 0.47 -3.02 -0.15 0.00 -0.04 0.00 0.00 33.50 30.75 3kr5 n PRO 100 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3kr5 s ILE 101 N 4.78 2.49 -0.54 0.52 1.01 -1.26 -4.97 121.20 123.23 3kr5 s ILE 101 Ca 0.90 -0.80 -0.22 0.00 0.00 0.00 0.00 60.65 60.53 3kr5 s ILE 101 Cb -0.43 -2.07 0.05 0.00 0.01 0.00 0.00 42.46 40.01 3kr5 s ILE 101 CO 0.42 0.51 0.83 -0.70 0.00 0.00 0.00 174.94 175.99 3kr5 s GLU 102 N 1.23 3.24 -0.14 2.79 2.12 -1.26 -4.91 118.70 121.77 3kr5 s GLU 102 Ca 0.03 -0.54 -0.11 0.00 0.36 0.00 0.00 54.97 54.71 3kr5 s GLU 102 Cb -0.14 -4.08 -0.07 0.00 0.26 0.00 0.00 34.13 30.10 3kr5 s GLU 102 CO -0.08 -1.41 0.02 1.88 -0.54 0.00 0.00 175.26 175.13 3kr5 h TYR 103 N 9.21 0.00 -3.06 5.30 -1.99 -2.03 -3.43 116.97 120.97 3kr5 h TYR 103 Ca -0.27 0.00 -0.61 0.00 2.00 0.00 0.00 58.73 59.86 3kr5 h TYR 103 Cb 1.08 0.00 -0.12 0.00 2.00 0.00 0.00 36.73 39.69 3kr5 h TYR 103 CO 0.86 0.36 0.62 -0.80 -0.00 0.00 0.00 178.16 179.19 3kr5 s ASN 104 N -5.93 6.31 0.17 3.88 -0.87 -1.26 -4.99 114.94 112.24 3kr5 s ASN 104 Ca -0.14 -0.44 0.06 0.00 -1.57 0.00 0.00 52.86 50.78 3kr5 s ASN 104 Cb 0.02 -2.45 -0.04 0.00 -0.02 0.00 0.00 41.25 38.76 3kr5 s ASN 104 CO 0.27 -1.32 0.08 0.42 -2.57 0.00 0.00 177.10 173.98 3kr5 s THR 105 N 4.14 4.15 0.44 1.60 -4.23 -1.26 -5.00 115.64 115.48 3kr5 s THR 105 Ca 0.30 -1.23 0.26 0.00 -1.18 0.00 0.00 61.69 59.84 3kr5 s THR 105 Cb -0.13 -3.10 0.45 0.00 1.34 0.00 0.00 72.50 71.06 3kr5 s THR 105 CO 0.18 -0.11 1.75 -0.65 -0.54 0.00 0.00 174.62 175.25 3kr5 h PRO 106 N 2.54 0.23 -0.42 3.99 0.11 -1.99 0.24 132.00 136.71 3kr5 h PRO 106 Ca -0.47 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.70 3kr5 h PRO 106 Cb 1.20 -0.05 -0.07 0.00 0.11 0.00 0.00 31.00 32.19 3kr5 h PRO 106 CO 0.61 0.15 -0.03 0.82 -0.21 0.00 0.00 178.00 179.34 3kr5 h ILE 107 N 0.23 0.65 0.00 4.15 1.08 -1.94 0.61 117.51 122.30 3kr5 h ILE 107 Ca 0.63 -0.03 0.00 0.00 -0.39 0.00 0.00 64.86 65.08 3kr5 h ILE 107 Cb 1.93 0.57 0.00 0.00 -3.07 0.00 0.00 36.82 36.25 3kr5 h ILE 107 CO -0.24 0.01 0.00 1.41 -0.69 0.00 0.00 178.15 178.64 3kr5 n HIS 108 N -5.23 0.65 0.59 1.37 8.25 0.84 -1.36 115.22 120.33 3kr5 n HIS 108 Ca 0.03 0.34 0.11 0.00 -0.26 0.00 0.00 57.72 57.94 3kr5 n HIS 108 Cb 0.22 -1.04 0.03 0.00 1.12 0.00 0.00 29.99 30.32 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 -2.17 0.62 -4.69 0.41 8.00 0.19 -4.89 116.55 114.02 3kr5 n ASP 109 Ca -0.01 -0.23 -0.42 0.00 0.71 0.00 0.00 54.79 54.84 3kr5 n ASP 109 Cb 0.03 0.77 -0.03 0.00 -0.02 0.00 0.00 41.12 41.87 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 -3.18 3.76 -0.17 0.53 1.01 -0.47 -4.87 121.20 117.81 3kr5 s ILE 110 Ca 0.04 1.13 -0.26 0.00 0.00 0.00 0.00 60.65 61.56 3kr5 s ILE 110 Cb 0.14 -3.72 -0.01 0.00 0.01 0.00 0.00 42.46 38.88 3kr5 s ILE 110 CO 0.80 -0.01 0.85 -0.54 0.00 0.00 0.00 174.94 176.04 3kr5 s LYS 111 N 2.47 4.30 -0.08 2.79 1.02 -0.34 -4.89 119.74 125.02 3kr5 s LYS 111 Ca 0.63 1.06 0.00 0.00 0.02 0.00 0.00 55.97 57.68 3kr5 s LYS 111 Cb -0.31 -3.58 -0.03 0.00 -0.52 0.00 0.00 37.83 33.40 3kr5 s LYS 111 CO 0.26 -0.34 -0.08 0.08 -0.92 0.00 0.00 175.35 174.35 3kr5 s VAL 112 N 2.19 3.63 -0.02 3.17 1.01 -1.26 -1.21 120.40 127.92 3kr5 s VAL 112 Ca 0.39 -0.50 0.01 0.00 0.00 0.00 0.00 61.98 61.89 3kr5 s VAL 112 Cb -0.17 -2.50 0.01 0.00 0.00 0.00 0.00 36.38 33.73 3kr5 s VAL 112 CO 0.12 0.58 -0.04 -1.10 0.00 0.00 0.00 175.10 174.66 3kr5 s GLN 113 N -0.53 0.51 -0.10 2.72 -1.52 -0.68 -4.99 119.66 115.07 3kr5 s GLN 113 Ca 0.08 -0.12 -0.02 0.00 -1.95 0.00 0.00 55.36 53.35 3kr5 s GLN 113 Cb -0.12 -0.53 -0.03 0.00 -0.22 0.00 0.00 33.01 32.11 3kr5 s GLN 113 CO 0.02 0.02 -0.02 0.08 -0.25 0.00 0.00 175.29 175.13 3kr5 s VAL 114 N 0.35 4.08 0.05 1.09 1.01 -1.26 -0.34 120.40 125.38 3kr5 s VAL 114 Ca -0.04 -0.33 0.07 0.00 0.00 0.00 0.00 61.98 61.68 3kr5 s VAL 114 Cb -0.08 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.56 3kr5 s VAL 114 CO -0.00 0.58 -0.20 -0.31 0.00 0.00 0.00 175.10 175.17 3kr5 s TYR 115 N -0.60 1.72 -0.03 5.22 1.51 0.45 -4.95 117.35 120.67 3kr5 s TYR 115 Ca 0.09 -0.38 -0.30 0.00 -1.01 0.00 0.00 57.07 55.47 3kr5 s TYR 115 Cb -0.12 -1.01 -0.05 0.00 -0.11 0.00 0.00 41.96 40.68 3kr5 s TYR 115 CO 0.02 0.10 1.35 0.34 -1.11 0.00 0.00 175.55 176.25 3kr5 s ASP 116 N -1.31 6.90 0.64 2.29 -1.08 -1.26 -1.57 116.67 121.28 3kr5 s ASP 116 Ca 0.06 2.01 0.19 0.00 -0.52 0.00 0.00 52.55 54.29 3kr5 s ASP 116 Cb -0.09 -2.56 0.92 0.00 -1.46 0.00 0.00 42.92 39.74 3kr5 s ASP 116 CO 0.02 -0.69 1.48 -0.29 0.52 0.00 0.00 175.17 176.21 3kr5 h ILE 117 N 5.01 0.07 0.12 4.11 2.10 -1.23 -2.07 117.51 125.60 3kr5 h ILE 117 Ca -0.36 0.00 -0.30 0.00 1.08 0.00 0.00 64.86 65.28 3kr5 h ILE 117 Cb 1.17 0.30 0.03 0.00 -1.09 0.00 0.00 36.82 37.22 3kr5 h ILE 117 CO 0.90 0.00 -1.24 0.07 -1.08 0.00 0.00 178.15 176.81 3kr5 h LYS 118 N 0.00 0.61 0.00 2.19 2.10 -1.88 -3.10 116.57 116.48 3kr5 h LYS 118 Ca 0.15 -0.81 0.00 0.00 -2.00 0.00 0.00 60.65 57.99 3kr5 h LYS 118 Cb 1.70 0.27 0.00 0.00 -0.90 0.00 0.00 32.23 33.29 3kr5 h LYS 118 CO -0.00 1.37 0.00 0.41 -2.00 0.00 0.00 179.45 179.22 3kr5 n GLY 119 N 1.37 -0.30 0.00 0.07 0.00 -0.78 -4.92 105.19 100.63 3kr5 n GLY 119 Ca -0.13 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.21 -2.42 3.67 -0.02 0.00 -1.17 -4.96 105.19 100.07 3kr5 n GLY 120 Ca 0.00 -1.43 -0.39 0.00 0.00 0.00 0.00 46.02 44.20 3kr5 n GLY 120 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kr5 s ASN 122 N 1.13 6.83 -0.45 0.00 0.01 -1.26 -0.63 114.94 120.56 3kr5 s ASN 122 Ca 0.25 0.98 0.04 0.00 -0.71 0.00 0.00 52.86 53.42 3kr5 s ASN 122 Cb -0.15 -2.32 0.12 0.00 0.41 0.00 0.00 41.25 39.30 3kr5 s ASN 122 CO 0.10 0.05 0.19 -0.69 -1.51 0.00 0.00 177.10 175.23 3kr5 s VAL 123 N 0.24 2.35 -0.08 1.60 1.01 -1.26 -4.94 120.40 119.31 3kr5 s VAL 123 Ca 0.29 -2.91 0.06 0.00 0.00 0.00 0.00 61.98 59.42 3kr5 s VAL 123 Cb -0.17 -2.66 -0.09 0.00 0.00 0.00 0.00 36.38 33.46 3kr5 s VAL 123 CO 0.14 -0.74 0.02 -0.62 0.00 0.00 0.00 175.10 173.89 3kr5 n GLU 124 N 3.54 2.50 -3.85 2.72 1.02 -1.26 -4.92 120.64 120.39 3kr5 n GLU 124 Ca 0.05 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.16 3kr5 n GLU 124 Cb 0.36 -1.20 0.01 0.00 -0.02 0.00 0.00 31.44 30.59 3kr5 n GLU 124 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 3kr5 s GLU 125 N -2.19 1.24 3.76 3.49 -1.05 -1.26 -4.93 118.70 117.76 3kr5 s GLU 125 Ca -0.05 -0.78 0.00 0.00 -0.15 0.00 0.00 54.97 53.99 3kr5 s GLU 125 Cb 0.02 0.36 0.00 0.00 -0.44 0.00 0.00 34.13 34.08 3kr5 s GLU 125 CO 0.31 -0.58 0.00 0.41 0.95 0.00 0.00 175.26 176.35 3kr5 n GLY 126 N -0.65 1.01 3.74 -3.83 0.00 -1.26 -4.67 105.19 99.53 3kr5 n GLY 126 Ca -0.04 -0.66 -0.36 0.00 0.00 0.00 0.00 46.02 44.97 3kr5 n GLY 126 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3kr5 s LEU 127 N 0.00 3.88 -0.13 0.99 2.96 -0.84 -3.21 118.68 122.33 3kr5 s LEU 127 Ca 0.00 0.24 0.02 0.00 -0.22 0.00 0.00 54.13 54.17 3kr5 s LEU 127 Cb 0.00 -1.92 0.01 0.00 0.50 0.00 0.00 46.19 44.78 3kr5 s LEU 127 CO 0.00 0.35 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.30 3kr5 s THR 128 N -0.71 1.82 -0.05 3.68 2.01 -0.58 -1.61 115.64 120.19 3kr5 s THR 128 Ca 0.12 -0.83 0.06 0.00 0.31 0.00 0.00 61.69 61.35 3kr5 s THR 128 Cb -0.12 -1.63 -0.01 0.00 0.01 0.00 0.00 72.50 70.75 3kr5 s THR 128 CO 0.02 0.50 -0.25 -0.63 -0.69 0.00 0.00 174.62 173.58 3kr5 s ILE 129 N 0.96 2.04 -0.19 1.82 -1.09 -0.25 0.21 121.20 124.69 3kr5 s ILE 129 Ca -0.05 -1.06 -0.11 0.00 -2.23 0.00 0.00 60.65 57.20 3kr5 s ILE 129 Cb -0.15 -1.72 -0.05 0.00 -1.58 0.00 0.00 42.46 38.96 3kr5 s ILE 129 CO -0.03 0.57 0.16 -0.36 -1.23 0.00 0.00 174.94 174.05 3kr5 s PHE 130 N -0.21 3.43 -0.41 3.97 0.40 0.13 0.72 117.98 126.01 3kr5 s PHE 130 Ca -0.02 0.39 -0.19 0.00 -0.60 0.00 0.00 56.93 56.51 3kr5 s PHE 130 Cb -0.13 -2.19 0.01 0.00 0.51 0.00 0.00 43.02 41.22 3kr5 s PHE 130 CO 0.03 0.29 0.53 -0.51 0.70 0.00 0.00 175.22 176.27 3kr5 s LEU 131 N 0.33 4.58 0.04 -0.37 1.43 0.26 -1.02 118.68 123.93 3kr5 s LEU 131 Ca 0.10 -0.36 0.02 0.00 -1.03 0.00 0.00 54.13 52.86 3kr5 s LEU 131 Cb -0.11 -2.56 -0.02 0.00 0.03 0.00 0.00 46.19 43.52 3kr5 s LEU 131 CO -0.01 -0.62 -0.08 0.68 0.23 0.00 0.00 176.35 176.56 3kr5 s VAL 132 N 2.45 0.58 0.44 -1.59 -7.23 -0.81 -1.54 120.40 112.70 3kr5 s VAL 132 Ca 0.18 -0.94 0.01 0.00 -1.81 0.00 0.00 61.98 59.41 3kr5 s VAL 132 Cb -0.16 -0.61 -0.00 0.00 0.56 0.00 0.00 36.38 36.17 3kr5 s VAL 132 CO 0.15 -0.27 0.02 -0.46 -0.31 0.00 0.00 175.10 174.24 3kr5 n ASN 133 N 1.73 2.88 -3.47 4.85 0.23 -1.26 -0.08 115.26 120.14 3kr5 n ASN 133 Ca -0.21 -2.99 -0.22 0.00 -0.53 0.00 0.00 54.58 50.63 3kr5 n ASN 133 Cb 0.55 0.43 -0.12 0.00 -2.08 0.00 0.00 39.78 38.56 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 -3.46 2.36 0.54 0.53 3.84 -0.70 -4.76 114.94 113.29 3kr5 s ASN 134 Ca 0.03 -0.87 -0.20 0.00 0.21 0.00 0.00 52.86 52.03 3kr5 s ASN 134 Cb 0.00 0.14 -0.06 0.00 -0.55 0.00 0.00 41.25 40.78 3kr5 s ASN 134 CO 0.02 -0.40 1.16 -2.84 -2.79 0.00 0.00 177.10 172.26 3kr5 s PRO 135 N 2.25 3.35 0.00 0.43 0.02 -1.26 -4.08 135.00 135.71 3kr5 s PRO 135 Ca 0.09 1.72 0.00 0.00 0.02 0.00 0.00 61.00 62.83 3kr5 s PRO 135 Cb -0.15 -2.08 0.00 0.00 0.02 0.00 0.00 34.50 32.29 3kr5 s PRO 135 CO -0.30 -0.88 0.00 0.41 -0.33 0.00 0.00 177.00 175.90 3kr5 n GLY 136 N 0.32 1.98 3.66 0.52 0.00 -0.91 -4.97 105.19 105.79 3kr5 n GLY 136 Ca 0.11 -0.61 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 3kr5 n GLY 136 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kr5 s LYS 137 N 0.00 4.16 -0.31 1.61 -2.85 -1.26 -4.94 119.74 116.15 3kr5 s LYS 137 Ca 0.00 2.43 -0.28 0.00 -1.00 0.00 0.00 55.97 57.12 3kr5 s LYS 137 Cb 0.00 -4.04 -0.02 0.00 -2.06 0.00 0.00 37.83 31.71 3kr5 s LYS 137 CO 0.00 -0.90 1.83 -1.21 0.10 0.00 0.00 175.35 175.17 3kr5 s GLU 138 N 4.13 3.35 -0.33 1.78 8.01 -1.26 -2.64 118.70 131.74 3kr5 s GLU 138 Ca 0.82 1.51 0.00 0.00 0.01 0.00 0.00 54.97 57.30 3kr5 s GLU 138 Cb -0.39 -4.20 0.00 0.00 -4.31 0.00 0.00 34.13 25.23 3kr5 s GLU 138 CO 0.36 -1.84 0.00 0.09 0.01 0.00 0.00 175.26 173.89 3kr5 n ASN 139 N 10.27 -2.49 -4.73 -0.19 3.02 -1.26 -5.03 115.26 114.86 3kr5 n ASN 139 Ca 0.23 0.03 -0.33 0.00 -0.03 0.00 0.00 54.58 54.49 3kr5 n ASN 139 Cb 0.46 -1.24 0.10 0.00 -0.61 0.00 0.00 39.78 38.49 3kr5 n ASN 139 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3kr5 s GLY 140 N -2.89 2.10 0.47 7.41 0.00 -1.08 -4.36 107.32 108.97 3kr5 s GLY 140 Ca 0.00 0.69 -0.22 0.00 0.00 0.00 0.00 44.72 45.19 3kr5 s GLY 140 CO 0.00 1.08 0.94 -1.55 0.00 0.00 0.00 173.10 173.57 3kr5 n PRO 141 N -3.05 1.15 -2.06 2.90 -0.04 -1.26 -0.69 135.00 131.93 3kr5 n PRO 141 Ca 0.12 0.42 -0.42 0.00 -0.04 0.00 0.00 63.50 63.58 3kr5 n PRO 141 Cb 0.51 -2.02 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 3kr5 n PRO 141 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 3kr5 s VAL 142 N -1.38 2.90 -0.03 0.52 1.01 0.57 -4.55 120.40 119.44 3kr5 s VAL 142 Ca 0.66 0.69 0.01 0.00 0.00 0.00 0.00 61.98 63.35 3kr5 s VAL 142 Cb -0.52 -3.44 0.01 0.00 0.00 0.00 0.00 36.38 32.43 3kr5 s VAL 142 CO 0.55 0.08 -0.04 -0.54 0.00 0.00 0.00 175.10 175.15 3kr5 s LYS 143 N 0.46 0.56 -0.32 2.72 1.02 -1.26 -4.26 119.74 118.66 3kr5 s LYS 143 Ca 0.63 -0.09 -0.10 0.00 0.02 0.00 0.00 55.97 56.43 3kr5 s LYS 143 Cb -0.40 -0.60 -0.00 0.00 -0.52 0.00 0.00 37.83 36.30 3kr5 s LYS 143 CO 0.36 -0.02 0.16 0.42 -0.92 0.00 0.00 175.35 175.34 3kr5 s ILE 144 N 0.56 4.60 -0.05 2.17 -1.09 -1.26 -4.95 121.20 121.18 3kr5 s ILE 144 Ca -0.07 -0.47 -0.04 0.00 -2.23 0.00 0.00 60.65 57.85 3kr5 s ILE 144 Cb -0.10 -3.37 -0.27 0.00 -1.58 0.00 0.00 42.46 37.14 3kr5 s ILE 144 CO -0.00 0.04 0.65 0.77 -1.23 0.00 0.00 174.94 175.16 3kr5 h SER 145 N 8.36 0.40 -3.27 3.58 4.64 -1.96 -3.48 113.55 121.82 3kr5 h SER 145 Ca -0.31 -0.68 -0.58 0.00 -0.47 0.00 0.00 61.79 59.74 3kr5 h SER 145 Cb 1.14 -0.13 0.15 0.00 -0.31 0.00 0.00 62.40 63.25 3kr5 h SER 145 CO 0.62 1.59 0.05 -1.20 -0.87 0.00 0.00 176.83 177.02 3kr5 n SER 146 N -3.44 0.66 -4.72 4.97 7.64 -1.26 -4.93 113.62 112.54 3kr5 n SER 146 Ca -0.23 0.88 -0.42 0.00 1.01 0.00 0.00 58.87 60.12 3kr5 n SER 146 Cb 1.05 -1.34 -0.03 0.00 -1.01 0.00 0.00 64.21 62.88 3kr5 n SER 146 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3kr5 s LYS 147 N -2.35 4.52 -0.22 1.43 1.02 -1.26 -4.95 119.74 117.92 3kr5 s LYS 147 Ca 0.70 1.63 -0.06 0.00 0.02 0.00 0.00 55.97 58.26 3kr5 s LYS 147 Cb -0.47 -3.37 -0.03 0.00 -0.52 0.00 0.00 37.83 33.44 3kr5 s LYS 147 CO 0.52 -0.09 0.04 0.08 -0.92 0.00 0.00 175.35 174.98 3kr5 s VAL 148 N 0.69 4.20 -1.31 3.17 1.01 -1.26 0.79 120.40 127.69 3kr5 s VAL 148 Ca 0.54 -0.22 -0.11 0.00 0.00 0.00 0.00 61.98 62.18 3kr5 s VAL 148 Cb -0.27 -2.93 0.13 0.00 0.00 0.00 0.00 36.38 33.32 3kr5 s VAL 148 CO 0.30 0.39 1.89 0.59 0.00 0.00 0.00 175.10 178.27 3kr5 n ASN 149 N 4.50 4.83 -3.27 3.32 3.02 0.20 -4.63 115.26 123.22 3kr5 n ASN 149 Ca -0.17 -3.02 0.03 0.00 -0.03 0.00 0.00 54.58 51.39 3kr5 n ASN 149 Cb 0.52 -1.54 -0.03 0.00 -0.61 0.00 0.00 39.78 38.12 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 1.81 -0.74 0.20 6.41 2.15 -1.26 -4.72 116.67 120.52 3kr5 s ASP 150 Ca 0.42 0.68 -0.10 0.00 0.43 0.00 0.00 52.55 53.98 3kr5 s ASP 150 Cb 0.09 1.71 0.24 0.00 -0.30 0.00 0.00 42.92 44.66 3kr5 s ASP 150 CO -0.01 -0.14 1.76 0.07 -0.17 0.00 0.00 175.17 176.67 3kr5 h LYS 151 N 7.82 0.43 -0.29 4.34 2.10 -1.99 0.67 116.57 129.65 3kr5 h LYS 151 Ca -0.17 -0.03 -0.09 0.00 -2.00 0.00 0.00 60.65 58.37 3kr5 h LYS 151 Cb 1.14 -0.10 -0.01 0.00 -0.90 0.00 0.00 32.23 32.37 3kr5 h LYS 151 CO 0.06 0.28 -0.17 1.96 -2.00 0.00 0.00 179.45 179.58 3kr5 h GLN 152 N 0.44 0.63 -0.38 0.07 1.08 -1.92 0.68 115.11 115.71 3kr5 h GLN 152 Ca 0.29 -0.29 -0.13 0.00 -1.45 0.00 0.00 58.65 57.07 3kr5 h GLN 152 Cb 0.31 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 3kr5 h GLN 152 CO -0.27 0.87 -0.29 0.28 -0.95 0.00 0.00 178.83 178.48 3kr5 h VAL 153 N 0.37 1.28 0.06 -0.54 2.07 -1.70 -0.15 116.25 117.63 3kr5 h VAL 153 Ca 0.06 -1.44 0.02 0.00 0.82 0.00 0.00 66.70 66.16 3kr5 h VAL 153 Cb 0.70 1.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.74 3kr5 h VAL 153 CO 0.05 0.48 -0.17 0.28 0.02 0.00 0.00 177.57 178.23 3kr5 h SER 154 N 0.69 -0.47 -0.47 0.57 0.02 -0.49 -1.71 113.55 111.69 3kr5 h SER 154 Ca 0.08 0.06 0.09 0.00 -0.84 0.00 0.00 61.79 61.19 3kr5 h SER 154 Cb 0.83 0.19 -0.10 0.00 0.14 0.00 0.00 62.40 63.46 3kr5 h SER 154 CO 0.07 -0.23 -0.27 -0.08 -1.14 0.00 0.00 176.83 175.18 3kr5 h GLU 155 N -0.30 -0.16 -0.97 3.45 4.22 0.10 0.30 114.58 121.23 3kr5 h GLU 155 Ca 0.04 0.01 0.19 0.00 0.08 0.00 0.00 59.36 59.68 3kr5 h GLU 155 Cb 0.34 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.54 3kr5 h GLU 155 CO -0.12 -0.10 0.61 0.35 -2.18 0.00 0.00 179.01 177.57 3kr5 h PHE 156 N -0.16 0.84 -0.22 0.92 3.57 -0.73 -2.27 116.94 118.90 3kr5 h PHE 156 Ca 0.21 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.74 3kr5 h PHE 156 Cb 0.50 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.99 3kr5 h PHE 156 CO -0.53 0.21 0.00 1.28 -2.23 0.00 0.00 178.31 177.04 3kr5 n LEU 157 N -4.64 2.36 -4.41 0.59 4.77 0.10 -4.59 117.00 111.17 3kr5 n LEU 157 Ca 0.21 -0.97 -0.48 0.00 -0.03 0.00 0.00 56.01 54.75 3kr5 n LEU 157 Cb 0.62 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.54 3kr5 n LEU 157 CO 0.26 0.49 0.02 0.29 -1.33 0.00 0.00 177.39 177.11 3kr5 n LYS 158 N 0.79 0.10 -0.28 3.23 5.02 -0.82 -4.53 118.16 121.67 3kr5 n LYS 158 Ca 0.17 0.04 0.05 0.00 -2.02 0.00 0.00 58.31 56.55 3kr5 n LYS 158 Cb 0.44 -1.06 0.28 0.00 -0.02 0.00 0.00 35.03 34.67 3kr5 n LYS 158 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 3kr5 h ASP 159 N 1.05 0.83 -0.78 4.39 5.19 -1.91 0.10 116.42 125.30 3kr5 h ASP 159 Ca -0.29 0.01 0.17 0.00 -0.62 0.00 0.00 57.03 56.30 3kr5 h ASP 159 Cb 1.43 -0.16 -0.11 0.00 0.18 0.00 0.00 39.33 40.67 3kr5 h ASP 159 CO 0.57 0.52 0.25 -0.33 -3.12 0.00 0.00 179.24 177.13 3kr5 h GLU 160 N 0.93 0.32 0.01 3.56 5.08 -1.95 0.17 114.58 122.70 3kr5 h GLU 160 Ca 0.38 -0.02 -0.20 0.00 -1.00 0.00 0.00 59.36 58.52 3kr5 h GLU 160 Cb 0.28 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 3kr5 h GLU 160 CO -0.15 0.21 -0.93 -0.91 -1.00 0.00 0.00 179.01 176.24 3kr5 h ASN 161 N 0.33 0.11 1.31 1.42 2.35 -1.56 -3.35 115.58 116.20 3kr5 h ASN 161 Ca 0.45 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 56.09 3kr5 h ASN 161 Cb 0.77 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 39.10 3kr5 h ASN 161 CO -0.50 0.97 -0.25 0.24 -1.65 0.00 0.00 177.43 176.25 3kr5 h MET 162 N 0.04 0.00 -0.29 0.81 2.86 0.10 -3.38 114.93 115.07 3kr5 h MET 162 Ca -0.03 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 3kr5 h MET 162 Cb 1.60 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.25 3kr5 h MET 162 CO 0.13 0.00 0.07 1.05 1.06 0.00 0.00 176.91 179.22 3kr5 h GLU 163 N 0.00 0.41 0.00 1.72 -0.00 -0.90 0.11 114.58 115.92 3kr5 h GLU 163 Ca 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 59.36 59.30 3kr5 h GLU 163 Cb 0.78 -0.08 0.00 0.00 -0.00 0.00 0.00 28.75 29.45 3kr5 h GLU 163 CO 0.00 0.38 0.00 1.57 -0.00 0.00 0.00 179.01 180.96 3kr5 h LYS 164 N 0.41 0.00 -5.49 1.06 2.10 -1.85 -3.42 116.57 109.39 3kr5 h LYS 164 Ca 0.10 0.00 -0.63 0.00 -2.00 0.00 0.00 60.65 58.12 3kr5 h LYS 164 Cb 0.16 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 31.39 3kr5 h LYS 164 CO -0.00 0.00 -0.46 -0.06 -2.00 0.00 0.00 179.45 176.93 3kr5 s PHE 165 N -3.70 3.51 0.21 0.07 0.40 0.37 -5.02 117.98 113.82 3kr5 s PHE 165 Ca -0.02 0.47 0.10 0.00 -0.60 0.00 0.00 56.93 56.88 3kr5 s PHE 165 Cb 0.09 -2.08 -0.05 0.00 0.51 0.00 0.00 43.02 41.49 3kr5 s PHE 165 CO 0.29 0.50 -0.20 0.54 0.70 0.00 0.00 175.22 177.06 3kr5 s ASN 166 N -0.32 3.12 0.00 1.36 2.20 -1.26 0.21 114.94 120.25 3kr5 s ASN 166 Ca 0.12 -0.94 0.17 0.00 -0.94 0.00 0.00 52.86 51.28 3kr5 s ASN 166 Cb -0.12 -0.22 1.00 0.00 -2.00 0.00 0.00 41.25 39.91 3kr5 s ASN 166 CO 0.02 0.00 1.55 1.33 -2.94 0.00 0.00 177.10 177.06 3kr5 n VAL 167 N -0.09 0.00 -1.27 3.54 0.24 0.13 -4.71 118.33 116.18 3kr5 n VAL 167 Ca -0.10 0.00 -0.59 0.00 -2.04 0.00 0.00 64.34 61.61 3kr5 n VAL 167 Cb 0.58 -0.37 -0.12 0.00 -1.47 0.00 0.00 33.84 32.46 3kr5 n VAL 167 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3kr5 n LYS 168 N -0.80 0.05 -1.73 7.34 4.81 -1.26 -1.35 118.16 125.20 3kr5 n LYS 168 Ca 0.13 0.01 -0.64 0.00 -0.87 0.00 0.00 58.31 56.94 3kr5 n LYS 168 Cb 0.06 -1.54 -0.09 0.00 0.02 0.00 0.00 35.03 33.48 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 7.69 1.70 0.00 3.14 7.94 -1.24 -0.59 117.00 135.64 3kr5 n LEU 169 Ca 0.55 1.14 0.00 0.00 -1.11 0.00 0.00 56.01 56.59 3kr5 n LEU 169 Cb -0.03 -0.99 0.00 0.00 0.53 0.00 0.00 43.42 42.94 3kr5 n LEU 169 CO 0.88 -0.67 0.00 0.61 -1.11 0.00 0.00 177.39 177.10 3kr5 n GLY 170 N 4.11 1.94 3.72 -3.96 0.00 0.16 -4.90 105.19 106.26 3kr5 n GLY 170 Ca 0.29 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.45 2.42 0.06 2.61 2.01 0.25 -4.79 115.64 115.75 3kr5 s THR 171 Ca 0.00 0.19 -0.26 0.00 0.31 0.00 0.00 61.69 61.93 3kr5 s THR 171 Cb 0.00 -2.71 0.08 0.00 0.01 0.00 0.00 72.50 69.88 3kr5 s THR 171 CO 0.00 -0.12 0.70 -0.94 -0.69 0.00 0.00 174.62 173.57 3kr5 s SER 172 N -2.18 -0.54 -0.03 3.53 1.04 -1.26 -1.49 113.70 112.77 3kr5 s SER 172 Ca 0.72 0.18 -0.07 0.00 0.48 0.00 0.00 55.95 57.26 3kr5 s SER 172 Cb -0.27 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.38 3kr5 s SER 172 CO 0.46 -0.78 0.17 -0.54 0.98 0.00 0.00 173.24 173.53 3kr5 s LYS 173 N -2.92 0.39 -0.13 4.02 3.01 -1.17 -5.02 119.74 117.92 3kr5 s LYS 173 Ca -0.01 -0.13 -0.06 0.00 -1.01 0.00 0.00 55.97 54.76 3kr5 s LYS 173 Cb -0.01 0.17 -0.04 0.00 -1.01 0.00 0.00 37.83 36.94 3kr5 s LYS 173 CO -0.06 -0.08 0.10 -1.01 0.51 0.00 0.00 175.35 174.80 3kr5 s HIS 174 N -0.80 3.43 0.04 3.18 3.76 -1.26 -2.76 115.29 120.88 3kr5 s HIS 174 Ca -0.09 0.36 0.05 0.00 -0.15 0.00 0.00 55.06 55.23 3kr5 s HIS 174 Cb -0.05 -1.96 -0.04 0.00 1.11 0.00 0.00 32.58 31.64 3kr5 s HIS 174 CO 0.01 0.52 -0.08 -0.06 -0.85 0.00 0.00 174.74 174.29 3kr5 s PHE 175 N -0.57 2.82 -0.09 1.40 2.99 0.53 -4.96 117.98 120.09 3kr5 s PHE 175 Ca 0.12 -0.09 0.02 0.00 0.00 0.00 0.00 56.93 56.98 3kr5 s PHE 175 Cb -0.12 -1.54 0.01 0.00 0.00 0.00 0.00 43.02 41.37 3kr5 s PHE 175 CO 0.02 0.38 -0.15 -0.47 -0.00 0.00 0.00 175.22 175.00 3kr5 s TYR 176 N -1.07 1.85 0.19 0.36 5.04 -1.26 -0.84 117.35 121.62 3kr5 s TYR 176 Ca 0.19 -0.79 -0.22 0.00 -2.44 0.00 0.00 57.07 53.81 3kr5 s TYR 176 Cb -0.11 -1.32 0.06 0.00 0.35 0.00 0.00 41.96 40.93 3kr5 s TYR 176 CO 0.10 -0.39 0.63 0.00 -1.34 0.00 0.00 175.55 174.55 3kr5 s MET 177 N 0.78 1.42 -0.09 4.97 0.23 -0.59 -5.00 119.30 121.02 3kr5 s MET 177 Ca -0.11 -0.62 -0.22 0.00 -1.03 0.00 0.00 55.69 53.71 3kr5 s MET 177 Cb -0.16 0.59 -0.04 0.00 -1.53 0.00 0.00 34.83 33.70 3kr5 s MET 177 CO 0.02 -0.63 0.64 -0.06 -2.03 0.00 0.00 175.02 172.96 3kr5 s PHE 178 N -3.80 3.54 0.86 3.16 0.08 -1.26 1.00 117.98 121.56 3kr5 s PHE 178 Ca 0.04 1.13 -0.13 0.00 0.12 0.00 0.00 56.93 58.09 3kr5 s PHE 178 Cb -0.02 -2.74 0.19 0.00 -0.57 0.00 0.00 43.02 39.88 3kr5 s PHE 178 CO -0.07 0.08 1.17 0.27 -0.10 0.00 0.00 175.22 176.56 3kr5 n ASN 179 N 3.90 0.27 0.07 1.36 0.23 0.58 -4.52 115.26 117.15 3kr5 n ASN 179 Ca -0.03 -1.53 0.10 0.00 -0.53 0.00 0.00 54.58 52.60 3kr5 n ASN 179 Cb 0.51 -0.88 0.56 0.00 -2.08 0.00 0.00 39.78 37.90 3kr5 n ASN 179 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3kr5 h ASP 180 N -1.43 0.20 -0.20 0.53 3.32 -1.92 -0.27 116.42 116.65 3kr5 h ASP 180 Ca -0.38 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.66 3kr5 h ASP 180 Cb 1.08 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.58 3kr5 h ASP 180 CO 0.28 0.13 0.01 0.59 -1.72 0.00 0.00 179.24 178.54 3kr5 n ASN 181 N -4.48 2.66 -2.38 6.45 3.02 -1.26 -4.89 115.26 114.38 3kr5 n ASN 181 Ca 0.04 -2.33 -0.09 0.00 -0.03 0.00 0.00 54.58 52.16 3kr5 n ASN 181 Cb 0.24 -0.57 -0.01 0.00 -0.61 0.00 0.00 39.78 38.84 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 0.20 -2.33 -3.54 3.52 4.76 -0.11 -4.98 118.16 115.67 3kr5 n LYS 182 Ca 0.10 0.46 -0.33 0.00 -2.87 0.00 0.00 58.31 55.67 3kr5 n LYS 182 Cb 0.59 -5.01 -0.05 0.00 -1.84 0.00 0.00 35.03 28.72 3kr5 n LYS 182 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3kr5 s ASN 183 N -2.01 6.61 0.23 4.39 0.01 -1.26 -4.81 114.94 118.11 3kr5 s ASN 183 Ca 0.00 0.79 -0.30 0.00 -0.71 0.00 0.00 52.86 52.65 3kr5 s ASN 183 Cb 0.00 -2.18 -0.09 0.00 0.41 0.00 0.00 41.25 39.40 3kr5 s ASN 183 CO 0.00 0.06 1.19 -0.94 -1.51 0.00 0.00 177.10 175.90 3kr5 s SER 184 N -2.13 7.09 0.11 -1.22 1.04 -1.26 -0.30 113.70 117.03 3kr5 s SER 184 Ca 0.40 2.31 0.06 0.00 0.48 0.00 0.00 55.95 59.19 3kr5 s SER 184 Cb -0.13 -2.62 -0.04 0.00 0.10 0.00 0.00 66.02 63.34 3kr5 s SER 184 CO 0.21 -0.33 -0.14 0.68 0.98 0.00 0.00 173.24 174.64 3kr5 s VAL 185 N -0.50 1.28 -0.18 5.02 -7.23 0.28 -4.86 120.40 114.20 3kr5 s VAL 185 Ca 0.50 -1.62 -0.08 0.00 -1.81 0.00 0.00 61.98 58.97 3kr5 s VAL 185 Cb -0.33 -1.42 -0.04 0.00 0.56 0.00 0.00 36.38 35.14 3kr5 s VAL 185 CO 0.40 -0.37 0.10 0.00 -0.31 0.00 0.00 175.10 174.92 3kr5 s ALA 186 N -1.92 3.56 0.18 1.32 0.00 -1.20 -1.54 121.76 122.17 3kr5 s ALA 186 Ca 0.06 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.33 3kr5 s ALA 186 Cb -0.06 -2.02 -0.05 0.00 0.00 0.00 0.00 23.12 20.99 3kr5 s ALA 186 CO 0.03 0.21 0.01 0.08 0.00 0.00 0.00 175.76 176.09 3kr5 s VAL 187 N 0.24 0.67 -0.02 0.00 1.01 -0.02 -1.53 120.40 120.74 3kr5 s VAL 187 Ca 0.06 -1.98 -0.06 0.00 0.00 0.00 0.00 61.98 59.99 3kr5 s VAL 187 Cb -0.12 -2.18 0.02 0.00 0.00 0.00 0.00 36.38 34.10 3kr5 s VAL 187 CO -0.01 -0.42 0.29 0.61 0.00 0.00 0.00 175.10 175.57 3kr5 n GLY 188 N -0.27 0.33 3.20 4.51 0.00 0.56 0.20 105.19 113.72 3kr5 n GLY 188 Ca -0.06 -0.85 -0.09 0.00 0.00 0.00 0.00 46.02 45.03 3kr5 n GLY 188 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kr5 s TYR 189 N -2.03 0.47 0.03 1.61 1.13 -1.11 0.19 117.35 117.63 3kr5 s TYR 189 Ca 0.07 -0.90 0.06 0.00 -1.41 0.00 0.00 57.07 54.89 3kr5 s TYR 189 Cb -0.00 -0.24 -0.02 0.00 -1.10 0.00 0.00 41.96 40.60 3kr5 s TYR 189 CO -0.01 -0.54 -0.16 0.08 -2.51 0.00 0.00 175.55 172.41 3kr5 s VAL 190 N -3.95 1.31 -0.15 -3.49 1.01 -0.19 -3.04 120.40 111.90 3kr5 s VAL 190 Ca 0.13 -0.96 -0.16 0.00 0.00 0.00 0.00 61.98 60.99 3kr5 s VAL 190 Cb 0.06 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 3kr5 s VAL 190 CO -0.05 0.16 0.41 -0.83 0.00 0.00 0.00 175.10 174.79 3kr5 s GLY 191 N -0.92 2.26 -0.21 4.51 0.00 -0.56 -1.93 107.32 110.46 3kr5 s GLY 191 Ca 0.05 -0.35 0.12 0.00 0.00 0.00 0.00 44.72 44.54 3kr5 s GLY 191 CO 0.01 0.71 1.26 0.00 0.00 0.00 0.00 173.10 175.07 3kr5 n GLY 193 N -1.15 1.34 0.00 0.00 0.00 -0.46 -4.52 105.19 100.40 3kr5 n GLY 193 Ca 0.21 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.51 3kr5 n GLY 193 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kr5 n SER 194 N 2.78 0.76 -4.76 1.61 3.41 -1.26 -1.72 113.62 114.44 3kr5 n SER 194 Ca 0.00 -0.02 -0.39 0.00 -0.26 0.00 0.00 58.87 58.20 3kr5 n SER 194 Cb 0.00 0.20 0.01 0.00 -0.26 0.00 0.00 64.21 64.16 3kr5 n SER 194 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3kr5 s VAL 195 N -0.35 2.36 0.16 -3.33 1.01 -1.26 -2.14 120.40 116.84 3kr5 s VAL 195 Ca 0.00 0.30 -0.21 0.00 0.00 0.00 0.00 61.98 62.07 3kr5 s VAL 195 Cb 0.00 -3.17 0.05 0.00 0.00 0.00 0.00 36.38 33.26 3kr5 s VAL 195 CO 0.00 0.03 1.63 0.00 0.00 0.00 0.00 175.10 176.77 3kr5 h ALA 196 N 2.26 -0.03 -3.31 5.51 0.00 -1.98 -3.42 119.26 118.30 3kr5 h ALA 196 Ca -0.50 0.10 -0.19 0.00 0.00 0.00 0.00 54.91 54.32 3kr5 h ALA 196 Cb 1.26 0.48 -0.26 0.00 0.00 0.00 0.00 17.79 19.27 3kr5 h ALA 196 CO 0.61 -0.62 -0.53 0.16 0.00 0.00 0.00 179.25 178.87 3kr5 s ASP 197 N -5.08 -0.15 0.17 0.00 -4.77 -1.26 -4.70 116.67 100.88 3kr5 s ASP 197 Ca -0.15 0.28 -0.30 0.00 -3.30 0.00 0.00 52.55 49.08 3kr5 s ASP 197 Cb 0.13 0.31 -0.07 0.00 -1.09 0.00 0.00 42.92 42.20 3kr5 s ASP 197 CO 0.69 -0.08 1.05 -0.76 0.70 0.00 0.00 175.17 176.77 3kr5 s LEU 198 N -0.03 4.51 1.04 2.11 1.43 -1.26 -5.04 118.68 121.44 3kr5 s LEU 198 Ca -0.01 2.02 -0.16 0.00 -1.03 0.00 0.00 54.13 54.95 3kr5 s LEU 198 Cb -0.02 -3.60 0.21 0.00 0.03 0.00 0.00 46.19 42.81 3kr5 s LEU 198 CO 0.00 -0.14 1.16 -0.94 0.23 0.00 0.00 176.35 176.66 3kr5 s SER 199 N -0.22 2.40 0.16 2.29 1.04 -1.26 -4.68 113.70 113.43 3kr5 s SER 199 Ca 0.48 0.71 -0.29 0.00 0.48 0.00 0.00 55.95 57.33 3kr5 s SER 199 Cb -0.28 -1.06 -0.02 0.00 0.10 0.00 0.00 66.02 64.76 3kr5 s SER 199 CO 0.34 -3.22 1.55 -0.08 0.98 0.00 0.00 173.24 172.81 3kr5 h GLU 200 N -1.96 -0.12 -0.14 4.02 4.22 -1.96 0.50 114.58 119.15 3kr5 h GLU 200 Ca -0.48 0.01 -0.04 0.00 0.08 0.00 0.00 59.36 58.94 3kr5 h GLU 200 Cb 1.30 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 3kr5 h GLU 200 CO 0.46 -0.08 -0.07 0.00 -2.18 0.00 0.00 179.01 177.14 3kr5 h ALA 201 N 0.52 1.62 -0.13 2.92 0.00 -1.94 -0.96 119.26 121.30 3kr5 h ALA 201 Ca 0.17 -0.15 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 3kr5 h ALA 201 Cb 0.50 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3kr5 h ALA 201 CO -0.83 0.28 -0.35 -0.44 0.00 0.00 0.00 179.25 177.91 3kr5 h ASP 202 N 0.21 0.53 0.62 0.00 5.19 -1.70 -2.72 116.42 118.54 3kr5 h ASP 202 Ca 0.05 -0.59 0.00 0.00 -0.62 0.00 0.00 57.03 55.86 3kr5 h ASP 202 Cb 0.27 -0.15 0.00 0.00 0.18 0.00 0.00 39.33 39.63 3kr5 h ASP 202 CO 0.01 1.03 0.00 -0.03 -3.12 0.00 0.00 179.24 177.13 3kr5 h MET 203 N 0.05 0.00 0.15 3.56 4.05 -0.07 -2.37 114.93 120.30 3kr5 h MET 203 Ca -0.01 0.00 -0.20 0.00 -0.28 0.00 0.00 59.70 59.21 3kr5 h MET 203 Cb 0.97 0.00 0.02 0.00 -0.80 0.00 0.00 31.60 31.79 3kr5 h MET 203 CO 0.08 0.00 -0.89 -0.22 0.23 0.00 0.00 176.91 176.11 3kr5 h LYS 204 N 0.00 0.32 -0.58 0.39 3.64 -0.99 -2.93 116.57 116.41 3kr5 h LYS 204 Ca 0.00 -0.54 0.09 0.00 -1.27 0.00 0.00 60.65 58.93 3kr5 h LYS 204 Cb 0.31 0.20 -0.07 0.00 -0.41 0.00 0.00 32.23 32.26 3kr5 h LYS 204 CO 0.00 1.26 0.19 0.00 -2.27 0.00 0.00 179.45 178.63 3kr5 h ARG 205 N -0.33 0.35 -0.12 1.90 3.08 -1.16 -0.88 114.38 117.22 3kr5 h ARG 205 Ca -0.16 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 59.91 3kr5 h ARG 205 Cb 1.69 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 31.62 3kr5 h ARG 205 CO 0.16 0.23 -0.09 0.28 -1.07 0.00 0.00 179.97 179.48 3kr5 h VAL 206 N 0.36 0.73 -0.84 2.04 2.07 -1.52 -1.02 116.25 118.07 3kr5 h VAL 206 Ca 0.30 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.84 3kr5 h VAL 206 Cb 0.38 0.73 -0.05 0.00 -1.52 0.00 0.00 31.29 30.83 3kr5 h VAL 206 CO -0.32 0.00 0.55 0.58 0.02 0.00 0.00 177.57 178.40 3kr5 h VAL 207 N -0.10 1.15 -0.77 2.57 2.07 -1.21 0.14 116.25 120.11 3kr5 h VAL 207 Ca 0.08 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 67.22 3kr5 h VAL 207 Cb 0.21 -0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 29.93 3kr5 h VAL 207 CO -0.18 0.20 0.45 -0.07 0.02 0.00 0.00 177.57 177.99 3kr5 h LEU 208 N 1.08 0.94 -0.43 2.57 4.07 -0.87 0.38 115.31 123.04 3kr5 h LEU 208 Ca 0.33 -0.07 -0.06 0.00 0.08 0.00 0.00 57.88 58.16 3kr5 h LEU 208 Cb -0.03 -0.24 -0.02 0.00 1.08 0.00 0.00 40.66 41.46 3kr5 h LEU 208 CO -0.10 0.74 0.03 0.28 -1.08 0.00 0.00 178.44 178.31 3kr5 h SER 209 N 1.06 0.72 -0.98 -0.43 0.02 0.06 -0.40 113.55 113.61 3kr5 h SER 209 Ca 0.28 -0.29 0.16 0.00 -0.84 0.00 0.00 61.79 61.11 3kr5 h SER 209 Cb -0.02 -0.19 -0.10 0.00 0.14 0.00 0.00 62.40 62.23 3kr5 h SER 209 CO -0.05 0.83 0.58 0.25 -1.14 0.00 0.00 176.83 177.30 3kr5 h LEU 210 N 0.59 0.78 -0.09 5.07 5.85 -0.14 -2.07 115.31 125.30 3kr5 h LEU 210 Ca 0.13 0.08 -0.21 0.00 0.84 0.00 0.00 57.88 58.72 3kr5 h LEU 210 Cb 0.44 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 3kr5 h LEU 210 CO 0.02 0.32 -0.99 0.58 -0.34 0.00 0.00 178.44 178.03 3kr5 h VAL 211 N 0.80 1.62 -0.65 1.05 2.07 0.39 -1.85 116.25 119.67 3kr5 h VAL 211 Ca 0.54 -3.12 0.05 0.00 0.82 0.00 0.00 66.70 64.99 3kr5 h VAL 211 Cb 0.75 2.74 -0.04 0.00 -1.52 0.00 0.00 31.29 33.23 3kr5 h VAL 211 CO -0.35 0.90 0.43 0.71 0.02 0.00 0.00 177.57 179.28 3kr5 h THR 212 N 0.03 1.04 0.00 2.57 1.35 -0.67 0.22 112.91 117.45 3kr5 h THR 212 Ca -0.04 -0.24 -0.11 0.00 -0.55 0.00 0.00 66.41 65.47 3kr5 h THR 212 Cb 1.70 0.28 -0.02 0.00 -1.73 0.00 0.00 68.15 68.38 3kr5 h THR 212 CO 0.14 0.13 -0.54 0.24 -0.25 0.00 0.00 175.52 175.23 3kr5 h MET 213 N 0.70 0.00 0.00 4.72 2.07 -0.67 -2.98 114.93 118.77 3kr5 h MET 213 Ca 0.27 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.90 3kr5 h MET 213 Cb 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.92 3kr5 h MET 213 CO -0.08 0.54 -0.34 1.28 1.07 0.00 0.00 176.91 179.39 3kr5 n LEU 214 N -3.87 0.48 -4.74 1.22 4.77 -0.64 -4.67 117.00 109.55 3kr5 n LEU 214 Ca -0.01 0.28 -0.40 0.00 -0.03 0.00 0.00 56.01 55.84 3kr5 n LEU 214 Cb 0.56 -0.30 -0.05 0.00 -2.33 0.00 0.00 43.42 41.30 3kr5 n LEU 214 CO 0.41 -0.00 0.53 -1.00 -1.33 0.00 0.00 177.39 175.99 3kr5 s HIS 215 N -3.06 3.75 -0.76 -1.77 3.76 -0.03 -3.58 115.29 113.60 3kr5 s HIS 215 Ca 0.10 1.56 0.00 0.00 -0.15 0.00 0.00 55.06 56.58 3kr5 s HIS 215 Cb 0.16 -2.90 0.00 0.00 1.11 0.00 0.00 32.58 30.95 3kr5 s HIS 215 CO 0.65 0.23 0.00 -0.25 -0.85 0.00 0.00 174.74 174.52 3kr5 n ASP 216 N 2.90 -3.23 -3.51 1.40 10.43 -1.26 -4.95 116.55 118.32 3kr5 n ASP 216 Ca -0.01 0.05 -0.24 0.00 2.57 0.00 0.00 54.79 57.16 3kr5 n ASP 216 Cb 0.50 -2.26 -0.14 0.00 1.84 0.00 0.00 41.12 41.06 3kr5 n ASP 216 CO 0.00 0.00 0.00 0.21 -1.07 0.00 0.00 177.20 176.34 3kr5 s ASN 217 N -2.70 2.53 -0.87 -2.24 2.47 -1.23 -5.06 114.94 107.83 3kr5 s ASN 217 Ca 0.00 -0.86 -0.25 0.00 0.42 0.00 0.00 52.86 52.17 3kr5 s ASN 217 Cb 0.00 -0.01 -0.06 0.00 -1.45 0.00 0.00 41.25 39.73 3kr5 s ASN 217 CO 0.00 -0.39 2.00 -0.54 -3.72 0.00 0.00 177.10 174.45 3kr5 s LYS 218 N 2.20 2.44 -0.11 0.43 1.02 -1.26 -4.89 119.74 119.58 3kr5 s LYS 218 Ca 0.07 -0.15 -0.02 0.00 0.02 0.00 0.00 55.97 55.89 3kr5 s LYS 218 Cb -0.15 -5.00 -0.03 0.00 -0.52 0.00 0.00 37.83 32.13 3kr5 s LYS 218 CO -0.27 -3.48 -0.01 -0.51 -0.92 0.00 0.00 175.35 170.16 3kr5 s LEU 219 N 10.63 3.47 0.09 3.17 1.43 -1.26 -5.01 118.68 131.19 3kr5 s LEU 219 Ca 0.73 0.06 0.14 0.00 -1.03 0.00 0.00 54.13 54.03 3kr5 s LEU 219 Cb -0.08 -1.80 -0.13 0.00 0.03 0.00 0.00 46.19 44.21 3kr5 s LEU 219 CO 0.01 0.32 0.97 0.77 0.23 0.00 0.00 176.35 178.65 3kr5 h SER 220 N 5.62 0.00 -4.98 2.29 4.64 -1.90 -3.26 113.55 115.97 3kr5 h SER 220 Ca -0.45 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 60.71 3kr5 h SER 220 Cb 1.19 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.07 3kr5 h SER 220 CO 0.57 0.72 -0.60 -0.75 -0.87 0.00 0.00 176.83 175.91 3kr5 s LYS 221 N -2.82 0.39 -0.02 4.77 2.20 -1.26 0.97 119.74 123.97 3kr5 s LYS 221 Ca -0.01 -0.51 0.04 0.00 -0.36 0.00 0.00 55.97 55.13 3kr5 s LYS 221 Cb 0.08 0.15 -0.01 0.00 -1.51 0.00 0.00 37.83 36.55 3kr5 s LYS 221 CO 0.80 -0.08 -0.14 -1.17 -0.36 0.00 0.00 175.35 174.40 3kr5 s LEU 222 N -1.42 1.97 -0.07 5.43 2.96 -0.33 -1.98 118.68 125.23 3kr5 s LEU 222 Ca -0.15 -0.27 0.03 0.00 -0.22 0.00 0.00 54.13 53.52 3kr5 s LEU 222 Cb -0.09 -0.76 0.01 0.00 0.50 0.00 0.00 46.19 45.85 3kr5 s LEU 222 CO 0.00 0.16 -0.17 -0.89 -1.32 0.00 0.00 176.35 174.13 3kr5 s THR 223 N -0.19 1.49 -0.12 3.68 2.01 -0.63 -0.83 115.64 121.05 3kr5 s THR 223 Ca 0.02 -0.70 -0.00 0.00 0.31 0.00 0.00 61.69 61.32 3kr5 s THR 223 Cb -0.07 -1.32 -0.02 0.00 0.01 0.00 0.00 72.50 71.10 3kr5 s THR 223 CO 0.00 0.43 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.56 3kr5 s VAL 224 N 0.44 3.18 -0.26 3.82 1.01 0.21 -1.09 120.40 127.70 3kr5 s VAL 224 Ca -0.14 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.17 3kr5 s VAL 224 Cb -0.16 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 33.90 3kr5 s VAL 224 CO 0.05 0.53 0.01 -0.69 0.00 0.00 0.00 175.10 175.00 3kr5 s VAL 225 N 0.19 3.50 -0.83 2.92 1.01 0.22 -1.28 120.40 126.13 3kr5 s VAL 225 Ca -0.07 -0.75 -0.20 0.00 0.00 0.00 0.00 61.98 60.96 3kr5 s VAL 225 Cb -0.15 -2.76 0.11 0.00 0.00 0.00 0.00 36.38 33.58 3kr5 s VAL 225 CO 0.05 0.19 1.07 -0.36 0.00 0.00 0.00 175.10 176.05 3kr5 s PHE 226 N 1.44 2.93 -0.24 5.22 0.40 0.37 0.92 117.98 129.03 3kr5 s PHE 226 Ca 0.02 -1.06 0.14 0.00 -0.60 0.00 0.00 56.93 55.43 3kr5 s PHE 226 Cb -0.16 -4.30 0.73 0.00 0.51 0.00 0.00 43.02 39.80 3kr5 s PHE 226 CO -0.01 -1.56 1.67 0.39 0.70 0.00 0.00 175.22 176.41 3kr5 n GLU 227 N 7.06 4.13 -4.23 0.44 1.02 -0.59 -4.57 120.64 123.90 3kr5 n GLU 227 Ca 0.14 -3.08 -0.23 0.00 -0.02 0.00 0.00 57.16 53.97 3kr5 n GLU 227 Cb 0.48 -2.15 -0.07 0.00 -0.02 0.00 0.00 31.44 29.68 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 -2.84 3.42 -0.18 -3.67 -4.36 -1.19 -4.49 121.20 107.89 3kr5 s ILE 228 Ca 0.51 -1.81 -0.22 0.00 -0.26 0.00 0.00 60.65 58.87 3kr5 s ILE 228 Cb 0.40 -2.93 -0.02 0.00 1.25 0.00 0.00 42.46 41.16 3kr5 s ILE 228 CO 0.13 -0.32 0.70 0.21 0.24 0.00 0.00 174.94 175.90 3kr5 s ASN 229 N -3.73 6.80 -0.13 4.36 3.84 -1.26 -4.98 114.94 119.82 3kr5 s ASN 229 Ca 0.33 0.97 -0.04 0.00 0.21 0.00 0.00 52.86 54.33 3kr5 s ASN 229 Cb -0.05 -2.39 0.07 0.00 -0.55 0.00 0.00 41.25 38.33 3kr5 s ASN 229 CO 0.21 -0.29 0.23 0.54 -2.79 0.00 0.00 177.10 174.99 3kr5 s VAL 230 N 1.87 -0.36 1.10 -5.21 0.11 -1.26 -4.66 120.40 111.98 3kr5 s VAL 230 Ca 0.32 0.22 -0.13 0.00 -2.93 0.00 0.00 61.98 59.47 3kr5 s VAL 230 Cb -0.16 -0.45 0.24 0.00 -1.53 0.00 0.00 36.38 34.48 3kr5 s VAL 230 CO 0.12 0.06 1.06 1.51 -3.33 0.00 0.00 175.10 174.51 3kr5 s ASP 231 N 2.37 1.66 0.48 3.54 -4.77 -1.26 -4.69 116.67 113.99 3kr5 s ASP 231 Ca 0.03 1.37 0.20 0.00 -3.30 0.00 0.00 52.55 50.86 3kr5 s ASP 231 Cb -0.13 -2.11 1.22 0.00 -1.09 0.00 0.00 42.92 40.81 3kr5 s ASP 231 CO -0.08 -3.76 1.96 0.11 0.70 0.00 0.00 175.17 174.09 3kr5 h LYS 232 N -2.32 0.21 0.05 2.11 1.57 -1.99 -1.47 116.57 114.74 3kr5 h LYS 232 Ca -0.59 -0.01 -0.25 0.00 -1.87 0.00 0.00 60.65 57.94 3kr5 h LYS 232 Cb 1.33 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.58 3kr5 h LYS 232 CO 0.53 0.14 -1.18 -0.91 -0.57 0.00 0.00 179.45 177.47 3kr5 h ASN 233 N 0.22 0.18 -0.17 0.86 2.35 -1.90 -1.78 115.58 115.33 3kr5 h ASN 233 Ca 0.31 -0.20 -0.05 0.00 -0.55 0.00 0.00 56.30 55.81 3kr5 h ASN 233 Cb 0.93 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 39.24 3kr5 h ASN 233 CO -0.06 1.16 -0.07 0.25 -1.65 0.00 0.00 177.43 177.06 3kr5 h LEU 234 N 0.03 0.36 -0.07 1.61 5.85 -1.85 0.11 115.31 121.36 3kr5 h LEU 234 Ca -0.09 -0.40 0.03 0.00 0.84 0.00 0.00 57.88 58.25 3kr5 h LEU 234 Cb 1.88 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 42.77 3kr5 h LEU 234 CO 0.15 0.68 -0.13 0.15 -0.34 0.00 0.00 178.44 178.96 3kr5 h PHE 235 N 0.03 -0.33 -0.45 1.25 3.57 -1.28 0.50 116.94 120.23 3kr5 h PHE 235 Ca 0.04 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.64 3kr5 h PHE 235 Cb 0.54 0.16 -0.07 0.00 2.79 0.00 0.00 35.95 39.37 3kr5 h PHE 235 CO 0.06 -0.19 0.02 -0.09 -2.23 0.00 0.00 178.31 175.88 3kr5 h ARG 236 N -0.19 0.13 -0.70 1.11 2.43 -1.30 -1.56 114.38 114.30 3kr5 h ARG 236 Ca 0.07 -0.01 0.07 0.00 -0.81 0.00 0.00 59.98 59.30 3kr5 h ARG 236 Cb 0.28 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.76 3kr5 h ARG 236 CO -0.18 0.09 0.46 0.35 -1.51 0.00 0.00 179.97 179.18 3kr5 h PHE 237 N 0.13 0.69 0.81 2.20 3.57 0.18 -0.98 116.94 123.54 3kr5 h PHE 237 Ca 0.22 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.71 3kr5 h PHE 237 Cb 0.32 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.83 3kr5 h PHE 237 CO -0.27 0.35 -0.46 0.35 -2.23 0.00 0.00 178.31 176.05 3kr5 h PHE 238 N 0.67 -1.22 -0.16 0.41 3.57 0.96 -0.34 116.94 120.82 3kr5 h PHE 238 Ca 0.31 -0.02 0.03 0.00 3.53 0.00 0.00 57.97 61.82 3kr5 h PHE 238 Cb 0.34 0.43 -0.03 0.00 2.79 0.00 0.00 35.95 39.48 3kr5 h PHE 238 CO -0.00 -0.71 0.00 -0.07 -2.23 0.00 0.00 178.31 175.31 3kr5 h LEU 239 N -1.18 -0.06 -0.91 0.59 4.07 -1.09 -1.74 115.31 115.00 3kr5 h LEU 239 Ca -0.11 0.04 0.22 0.00 0.08 0.00 0.00 57.88 58.11 3kr5 h LEU 239 Cb 0.93 0.06 -0.12 0.00 1.08 0.00 0.00 40.66 42.61 3kr5 h LEU 239 CO 0.13 -0.01 0.43 -0.33 -1.08 0.00 0.00 178.44 177.58 3kr5 h GLU 240 N 0.06 0.43 -0.01 1.13 5.08 -1.13 0.47 114.58 120.61 3kr5 h GLU 240 Ca 0.08 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 3kr5 h GLU 240 Cb 0.09 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3kr5 h GLU 240 CO -0.13 0.28 -0.08 1.15 -1.00 0.00 0.00 179.01 179.24 3kr5 h THR 241 N 0.44 1.54 -0.54 1.13 2.02 -0.57 -2.72 112.91 114.21 3kr5 h THR 241 Ca 0.57 -1.70 0.11 0.00 0.77 0.00 0.00 66.41 66.16 3kr5 h THR 241 Cb 1.06 2.64 -0.10 0.00 -1.74 0.00 0.00 68.15 70.02 3kr5 h THR 241 CO -0.51 0.45 -0.08 0.25 0.37 0.00 0.00 175.52 176.00 3kr5 h LEU 242 N -0.60 -0.40 0.12 2.58 5.85 -0.68 1.01 115.31 123.20 3kr5 h LEU 242 Ca -0.01 0.15 0.01 0.00 0.84 0.00 0.00 57.88 58.88 3kr5 h LEU 242 Cb 0.78 0.30 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 3kr5 h LEU 242 CO 0.02 -0.15 -0.21 -0.26 -0.34 0.00 0.00 178.44 177.50 3kr5 h PHE 243 N 0.04 -0.55 0.08 1.25 0.04 -0.14 0.25 116.94 117.91 3kr5 h PHE 243 Ca 0.27 0.01 -0.00 0.00 2.80 0.00 0.00 57.97 61.04 3kr5 h PHE 243 Cb 0.42 0.23 0.00 0.00 2.20 0.00 0.00 35.95 38.80 3kr5 h PHE 243 CO -0.41 -0.30 -0.04 -0.92 -0.60 0.00 0.00 178.31 176.04 3kr5 h TYR 244 N -0.40 -0.10 -0.26 -0.55 3.20 -1.17 -2.09 116.97 115.59 3kr5 h TYR 244 Ca 0.02 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.86 3kr5 h TYR 244 Cb 0.42 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.71 3kr5 h TYR 244 CO -0.19 0.05 0.04 0.93 -1.64 0.00 0.00 178.16 177.35 3kr5 h GLU 245 N -0.23 0.44 -0.80 1.82 4.39 0.14 -2.94 114.58 117.40 3kr5 h GLU 245 Ca -0.01 -0.12 0.10 0.00 0.34 0.00 0.00 59.36 59.67 3kr5 h GLU 245 Cb 0.19 -0.05 -0.07 0.00 -0.10 0.00 0.00 28.75 28.72 3kr5 h GLU 245 CO 0.02 0.56 0.44 -0.92 -1.16 0.00 0.00 179.01 177.95 3kr5 h TYR 246 N 0.25 0.79 -3.00 4.33 3.20 -0.58 -3.42 116.97 118.54 3kr5 h TYR 246 Ca 0.08 0.03 -0.56 0.00 3.14 0.00 0.00 58.73 61.42 3kr5 h TYR 246 Cb 0.34 -0.23 0.09 0.00 1.54 0.00 0.00 36.73 38.46 3kr5 h TYR 246 CO 0.02 0.30 0.68 -0.12 -1.64 0.00 0.00 178.16 177.41 3kr5 n MET 247 N -4.79 2.27 -5.06 1.82 1.56 -0.79 -5.01 117.12 107.13 3kr5 n MET 247 Ca 0.13 0.81 -0.32 0.00 -0.27 0.00 0.00 57.70 58.05 3kr5 n MET 247 Cb 0.29 -2.49 -0.16 0.00 2.15 0.00 0.00 33.22 33.01 3kr5 n MET 247 CO 0.00 0.00 0.00 0.99 -0.73 0.00 0.00 175.97 176.23 3kr5 s THR 248 N -0.23 2.27 -0.41 1.12 2.01 -1.26 -4.97 115.64 114.16 3kr5 s THR 248 Ca 0.64 -0.94 -0.23 0.00 0.31 0.00 0.00 61.69 61.47 3kr5 s THR 248 Cb -0.58 -1.89 0.02 0.00 0.01 0.00 0.00 72.50 70.05 3kr5 s THR 248 CO 0.52 0.55 0.79 -0.62 -0.69 0.00 0.00 174.62 175.17 3kr5 s ASP 249 N 0.41 6.49 -0.08 3.53 2.15 -1.26 -4.91 116.67 123.00 3kr5 s ASP 249 Ca -0.16 0.14 0.12 0.00 0.43 0.00 0.00 52.55 53.08 3kr5 s ASP 249 Cb -0.17 -2.39 0.28 0.00 -0.30 0.00 0.00 42.92 40.33 3kr5 s ASP 249 CO 0.07 -0.83 1.20 -0.62 -0.17 0.00 0.00 175.17 174.82 3kr5 n GLU 250 N 6.60 2.49 -0.28 4.34 1.02 -1.26 -4.71 120.64 128.83 3kr5 n GLU 250 Ca 0.03 -2.25 0.27 0.00 -0.02 0.00 0.00 57.16 55.19 3kr5 n GLU 250 Cb 0.48 -1.41 0.63 0.00 -0.02 0.00 0.00 31.44 31.12 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 0.90 0.19 -0.06 3.49 3.08 -1.96 -2.15 114.38 117.87 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 0.92 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.93 3kr5 h ARG 251 CO 0.06 0.12 0.00 1.19 -1.07 0.00 0.00 179.97 180.27 3kr5 n PHE 252 N -4.40 0.05 -2.70 3.04 3.01 -1.26 -4.90 117.46 110.29 3kr5 n PHE 252 Ca 0.23 -0.03 -0.41 0.00 1.01 0.00 0.00 57.45 58.25 3kr5 n PHE 252 Cb 0.98 -0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 40.41 3kr5 n PHE 252 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 3kr5 s LYS 253 N -1.68 4.69 0.00 -1.08 -0.14 -0.81 -4.96 119.74 115.76 3kr5 s LYS 253 Ca 0.25 1.49 0.00 0.00 -1.36 0.00 0.00 55.97 56.35 3kr5 s LYS 253 Cb 0.18 -3.36 0.00 0.00 -1.68 0.00 0.00 37.83 32.96 3kr5 s LYS 253 CO 0.26 0.20 0.00 0.45 -0.76 0.00 0.00 175.35 175.50 3kr5 n SER 254 N 2.73 0.00 0.15 2.83 2.88 -1.26 -4.74 113.62 116.20 3kr5 n SER 254 Ca 0.02 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 57.69 3kr5 n SER 254 Cb 0.49 0.00 0.34 0.00 -0.75 0.00 0.00 64.21 64.28 3kr5 n SER 254 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 3kr5 h THR 255 N 0.00 0.00 -0.70 2.46 1.35 -2.02 -3.32 112.91 110.68 3kr5 h THR 255 Ca 0.00 -0.64 -0.36 0.00 -0.55 0.00 0.00 66.41 64.86 3kr5 h THR 255 Cb 0.00 1.63 -0.21 0.00 -1.73 0.00 0.00 68.15 67.84 3kr5 h THR 255 CO 0.00 0.00 0.31 -0.67 -0.25 0.00 0.00 175.52 174.91 3kr5 n ASP 256 N -2.55 3.20 -4.69 5.36 2.03 -1.26 -5.01 116.55 113.62 3kr5 n ASP 256 Ca 0.05 -3.68 -0.42 0.00 0.52 0.00 0.00 54.79 51.26 3kr5 n ASP 256 Cb 0.46 -0.75 -0.00 0.00 -0.72 0.00 0.00 41.12 40.11 3kr5 n ASP 256 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 3kr5 n LYS 257 N -1.11 2.03 -2.25 -0.67 5.02 -1.25 -4.89 118.16 115.04 3kr5 n LYS 257 Ca 0.47 0.71 -0.40 0.00 -2.02 0.00 0.00 58.31 57.07 3kr5 n LYS 257 Cb 1.38 -2.31 -0.03 0.00 -0.02 0.00 0.00 35.03 34.05 3kr5 n LYS 257 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3kr5 s ASN 258 N -0.39 5.78 0.00 4.39 3.84 -1.26 -4.85 114.94 122.46 3kr5 s ASN 258 Ca 0.57 0.28 0.08 0.00 0.21 0.00 0.00 52.86 54.00 3kr5 s ASN 258 Cb -0.56 -2.54 0.47 0.00 -0.55 0.00 0.00 41.25 38.08 3kr5 s ASN 258 CO 0.61 -1.99 0.90 0.55 -2.79 0.00 0.00 177.10 174.38 3kr5 n VAL 259 N 6.97 0.00 -0.04 -5.21 3.14 -1.26 -2.84 118.33 119.08 3kr5 n VAL 259 Ca 0.15 0.00 -0.05 0.00 -2.96 0.00 0.00 64.34 61.47 3kr5 n VAL 259 Cb 0.50 -0.80 -0.05 0.00 -1.06 0.00 0.00 33.84 32.43 3kr5 n VAL 259 CO 0.00 0.00 0.00 0.59 -6.46 0.00 0.00 176.83 170.96 3kr5 n ASN 260 N -0.94 3.17 -4.52 6.55 3.02 -1.26 -4.98 115.26 116.30 3kr5 n ASN 260 Ca 0.06 -0.03 -0.25 0.00 -0.03 0.00 0.00 54.58 54.33 3kr5 n ASN 260 Cb 0.03 0.23 -0.15 0.00 -0.61 0.00 0.00 39.78 39.27 3kr5 n ASN 260 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 3kr5 n MET 261 N -2.56 0.26 -4.13 3.52 1.56 -1.13 -4.86 117.12 109.78 3kr5 n MET 261 Ca -0.15 -0.23 -0.34 0.00 -0.27 0.00 0.00 57.70 56.71 3kr5 n MET 261 Cb 0.72 -2.07 -0.15 0.00 2.15 0.00 0.00 33.22 33.87 3kr5 n MET 261 CO 0.00 0.00 0.00 -1.21 -0.73 0.00 0.00 175.97 174.03 3kr5 s GLU 262 N 8.01 3.24 0.24 2.12 2.02 -1.26 -5.09 118.70 127.99 3kr5 s GLU 262 Ca 1.19 -0.71 -0.12 0.00 0.02 0.00 0.00 54.97 55.35 3kr5 s GLU 262 Cb -0.66 -2.80 -0.08 0.00 0.10 0.00 0.00 34.13 30.70 3kr5 s GLU 262 CO 0.39 -0.14 0.60 0.71 0.02 0.00 0.00 175.26 176.85 3kr5 s TYR 263 N 1.24 3.45 0.66 1.61 2.02 -1.26 -4.66 117.35 120.41 3kr5 s TYR 263 Ca 0.03 1.01 -0.17 0.00 -0.37 0.00 0.00 57.07 57.57 3kr5 s TYR 263 Cb -0.14 -2.36 -0.05 0.00 -0.40 0.00 0.00 41.96 39.01 3kr5 s TYR 263 CO -0.05 0.26 0.57 0.44 -1.57 0.00 0.00 175.55 175.20 3kr5 n ILE 264 N 0.00 2.15 0.25 2.71 -5.35 -1.23 -4.90 119.36 112.99 3kr5 n ILE 264 Ca 0.00 -0.44 0.10 0.00 -0.27 0.00 0.00 62.75 62.14 3kr5 n ILE 264 Cb 0.52 -0.76 -0.15 0.00 -1.74 0.00 0.00 39.64 37.51 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 -0.55 0.53 -3.85 6.28 4.76 0.27 -4.63 118.16 120.97 3kr5 n LYS 265 Ca 0.11 -0.14 -0.12 0.00 -2.87 0.00 0.00 58.31 55.28 3kr5 n LYS 265 Cb 0.49 -1.49 -0.14 0.00 -1.84 0.00 0.00 35.03 32.04 3kr5 n LYS 265 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 3kr5 s HIS 266 N -3.33 -0.00 -0.08 2.13 3.76 -0.82 -1.19 115.29 115.75 3kr5 s HIS 266 Ca -0.04 0.04 0.03 0.00 -0.15 0.00 0.00 55.06 54.94 3kr5 s HIS 266 Cb 0.14 -0.03 0.01 0.00 1.11 0.00 0.00 32.58 33.81 3kr5 s HIS 266 CO 0.87 -0.02 -0.15 -1.17 -0.85 0.00 0.00 174.74 173.43 3kr5 s LEU 267 N 0.15 1.74 -0.07 0.89 2.96 -0.35 -1.18 118.68 122.82 3kr5 s LEU 267 Ca -0.01 -0.36 0.05 0.00 -0.22 0.00 0.00 54.13 53.58 3kr5 s LEU 267 Cb -0.02 -0.97 -0.01 0.00 0.50 0.00 0.00 46.19 45.69 3kr5 s LEU 267 CO -0.00 0.06 -0.22 -0.83 -1.32 0.00 0.00 176.35 174.03 3kr5 s GLY 268 N 0.63 1.36 -0.02 7.98 0.00 -0.01 -1.69 107.32 115.57 3kr5 s GLY 268 Ca -0.15 -1.01 0.08 0.00 0.00 0.00 0.00 44.72 43.65 3kr5 s GLY 268 CO 0.04 -0.54 -0.26 0.14 0.00 0.00 0.00 173.10 172.49 3kr5 s VAL 269 N -0.05 2.02 -0.12 1.40 1.01 0.53 0.68 120.40 125.87 3kr5 s VAL 269 Ca -0.06 -1.10 0.01 0.00 0.00 0.00 0.00 61.98 60.83 3kr5 s VAL 269 Cb -0.15 -1.68 0.02 0.00 0.00 0.00 0.00 36.38 34.57 3kr5 s VAL 269 CO 0.05 0.56 -0.16 -0.31 0.00 0.00 0.00 175.10 175.24 3kr5 s TYR 270 N -0.61 2.13 0.00 5.22 1.51 -0.40 -0.41 117.35 124.80 3kr5 s TYR 270 Ca 0.10 -1.07 -0.22 0.00 -1.01 0.00 0.00 57.07 54.87 3kr5 s TYR 270 Cb -0.10 -1.53 0.05 0.00 -0.11 0.00 0.00 41.96 40.27 3kr5 s TYR 270 CO -0.01 -0.55 0.50 -1.50 -1.11 0.00 0.00 175.55 172.88 3kr5 s ILE 271 N 1.08 0.03 0.04 2.71 2.07 -0.61 -0.48 121.20 126.05 3kr5 s ILE 271 Ca -0.04 -0.26 -0.33 0.00 -1.41 0.00 0.00 60.65 58.62 3kr5 s ILE 271 Cb -0.14 -0.89 -0.11 0.00 0.13 0.00 0.00 42.46 41.44 3kr5 s ILE 271 CO -0.04 -0.14 1.83 -0.46 -1.91 0.00 0.00 174.94 174.22 3kr5 n ASN 272 N 0.77 3.68 -2.92 4.50 0.23 -1.26 -0.77 115.26 119.49 3kr5 n ASN 272 Ca -0.19 0.98 -0.12 0.00 -0.53 0.00 0.00 54.58 54.72 3kr5 n ASN 272 Cb 0.58 -1.46 0.06 0.00 -2.08 0.00 0.00 39.78 36.89 3kr5 n ASN 272 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 3kr5 n ASN 273 N 5.96 -4.90 -0.26 0.53 4.13 -1.26 -4.83 115.26 114.63 3kr5 n ASN 273 Ca 0.20 -0.55 0.07 0.00 1.68 0.00 0.00 54.58 55.98 3kr5 n ASN 273 Cb 0.33 -4.28 0.21 0.00 -1.54 0.00 0.00 39.78 34.50 3kr5 n ASN 273 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3kr5 h ALA 274 N 0.12 1.08 -0.90 5.41 0.00 -1.82 -2.04 119.26 121.10 3kr5 h ALA 274 Ca -0.49 0.16 0.16 0.00 0.00 0.00 0.00 54.91 54.74 3kr5 h ALA 274 Cb 1.25 0.20 -0.10 0.00 0.00 0.00 0.00 17.79 19.14 3kr5 h ALA 274 CO 0.37 -0.32 0.50 -0.44 0.00 0.00 0.00 179.25 179.35 3kr5 h ASP 275 N 0.32 0.63 -0.14 0.00 3.32 -1.91 0.22 116.42 118.86 3kr5 h ASP 275 Ca 0.45 0.09 -0.03 0.00 0.02 0.00 0.00 57.03 57.56 3kr5 h ASP 275 Cb 0.78 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 40.30 3kr5 h ASP 275 CO -0.50 0.26 -0.01 0.71 -1.72 0.00 0.00 179.24 177.98 3kr5 h THR 276 N 0.70 1.27 0.00 0.35 1.35 -1.72 -3.14 112.91 111.71 3kr5 h THR 276 Ca 0.50 -0.89 -0.02 0.00 -0.55 0.00 0.00 66.41 65.45 3kr5 h THR 276 Cb 0.70 1.57 -0.00 0.00 -1.73 0.00 0.00 68.15 68.69 3kr5 h THR 276 CO -0.36 0.26 -0.10 1.88 -0.25 0.00 0.00 175.52 176.95 3kr5 h TYR 277 N -0.02 0.00 -0.80 4.73 0.05 -0.91 -3.25 116.97 116.77 3kr5 h TYR 277 Ca 0.04 0.00 0.07 0.00 0.05 0.00 0.00 58.73 58.88 3kr5 h TYR 277 Cb 0.40 0.00 -0.05 0.00 1.01 0.00 0.00 36.73 38.09 3kr5 h TYR 277 CO 0.04 0.10 0.52 0.87 -1.05 0.00 0.00 178.16 178.64 3kr5 h LYS 278 N 0.00 0.83 0.00 4.88 1.57 -0.62 -0.45 116.57 122.79 3kr5 h LYS 278 Ca -0.00 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 3kr5 h LYS 278 Cb 0.46 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 3kr5 h LYS 278 CO 0.01 0.55 -0.11 1.49 -0.57 0.00 0.00 179.45 180.83 3kr5 h GLU 279 N 0.86 0.00 0.00 3.15 4.81 -1.72 -2.69 114.58 118.98 3kr5 h GLU 279 Ca 0.34 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.54 3kr5 h GLU 279 Cb 0.24 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 3kr5 h GLU 279 CO -0.12 0.11 -0.15 0.93 -0.73 0.00 0.00 179.01 179.05 3kr5 h GLU 280 N 0.00 0.00 0.71 1.92 4.39 -1.29 -3.32 114.58 116.99 3kr5 h GLU 280 Ca -0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 3kr5 h GLU 280 Cb 0.24 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.89 3kr5 h GLU 280 CO 0.01 0.15 -0.45 0.28 -1.16 0.00 0.00 179.01 177.84 3kr5 h VAL 281 N 0.00 0.09 0.00 3.13 2.07 -1.55 0.18 116.25 120.17 3kr5 h VAL 281 Ca -0.00 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.44 3kr5 h VAL 281 Cb 0.71 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3kr5 h VAL 281 CO 0.02 0.00 -0.36 -0.33 0.02 0.00 0.00 177.57 176.92 3kr5 h GLU 282 N -1.10 0.00 -0.40 1.57 4.39 -1.77 -1.20 114.58 116.07 3kr5 h GLU 282 Ca -0.09 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.55 3kr5 h GLU 282 Cb 0.89 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.52 3kr5 h GLU 282 CO 0.08 0.36 0.04 -0.22 -1.16 0.00 0.00 179.01 178.11 3kr5 h LYS 283 N 0.00 0.68 -0.92 2.33 3.64 -1.61 -1.41 116.57 119.28 3kr5 h LYS 283 Ca -0.00 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 3kr5 h LYS 283 Cb 0.94 -0.07 -0.05 0.00 -0.41 0.00 0.00 32.23 32.64 3kr5 h LYS 283 CO 0.05 0.75 0.58 0.00 -2.27 0.00 0.00 179.45 178.56 3kr5 h ALA 284 N 0.91 1.17 -0.52 5.00 0.00 0.16 0.20 119.26 126.19 3kr5 h ALA 284 Ca 0.12 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 3kr5 h ALA 284 Cb 0.41 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3kr5 h ALA 284 CO 0.01 0.60 -0.08 -0.09 0.00 0.00 0.00 179.25 179.69 3kr5 h ARG 285 N 1.26 0.98 0.24 0.00 2.43 -0.98 0.91 114.38 119.22 3kr5 h ARG 285 Ca 0.33 -0.35 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3kr5 h ARG 285 Cb -0.10 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 3kr5 h ARG 285 CO -0.07 1.03 -0.12 0.28 -1.51 0.00 0.00 179.97 179.58 3kr5 h VAL 286 N 0.85 0.82 -0.65 0.20 2.07 -0.70 -1.57 116.25 117.27 3kr5 h VAL 286 Ca 0.14 -0.41 0.11 0.00 0.82 0.00 0.00 66.70 67.36 3kr5 h VAL 286 Cb 0.64 1.05 -0.08 0.00 -1.52 0.00 0.00 31.29 31.38 3kr5 h VAL 286 CO 0.04 0.09 0.24 1.88 0.02 0.00 0.00 177.57 179.85 3kr5 h TYR 287 N -0.53 0.42 -0.12 1.57 -1.99 -0.43 -0.03 116.97 115.85 3kr5 h TYR 287 Ca -0.03 0.03 0.05 0.00 2.00 0.00 0.00 58.73 60.77 3kr5 h TYR 287 Cb 0.39 -0.09 -0.06 0.00 2.00 0.00 0.00 36.73 38.98 3kr5 h TYR 287 CO -0.00 0.09 -0.23 -0.92 -0.00 0.00 0.00 178.16 177.09 3kr5 h TYR 288 N 0.42 -0.63 -0.40 4.88 3.20 0.10 -1.16 116.97 123.39 3kr5 h TYR 288 Ca 0.33 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 62.12 3kr5 h TYR 288 Cb 0.44 0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 3kr5 h TYR 288 CO -0.17 -0.32 -0.21 0.35 -1.64 0.00 0.00 178.16 176.17 3kr5 h PHE 289 N -0.30 0.89 -0.44 -3.82 3.57 -0.18 0.41 116.94 117.06 3kr5 h PHE 289 Ca 0.10 -0.20 0.08 0.00 3.53 0.00 0.00 57.97 61.47 3kr5 h PHE 289 Cb 0.45 -0.21 -0.06 0.00 2.79 0.00 0.00 35.95 38.91 3kr5 h PHE 289 CO -0.33 0.93 0.06 0.78 -2.23 0.00 0.00 178.31 177.52 3kr5 h GLY 290 N 0.96 0.51 0.92 2.40 0.00 -0.79 0.97 103.07 108.03 3kr5 h GLY 290 Ca 0.10 -0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.36 3kr5 h GLY 290 CO 0.06 -0.07 -0.06 -0.84 0.00 0.00 0.00 176.54 175.63 3kr5 h THR 291 N 0.19 1.27 -0.24 4.70 2.02 -0.42 -0.77 112.91 119.67 3kr5 h THR 291 Ca 0.22 -1.09 -0.14 0.00 0.77 0.00 0.00 66.41 66.17 3kr5 h THR 291 Cb 0.29 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 3kr5 h THR 291 CO -0.31 0.36 -0.41 0.22 0.37 0.00 0.00 175.52 175.74 3kr5 h TYR 292 N 0.43 0.69 -0.41 3.16 3.20 0.35 0.48 116.97 124.87 3kr5 h TYR 292 Ca 0.09 -0.20 -0.03 0.00 3.14 0.00 0.00 58.73 61.72 3kr5 h TYR 292 Cb 0.55 -0.15 -0.02 0.00 1.54 0.00 0.00 36.73 38.65 3kr5 h TYR 292 CO 0.05 0.90 0.13 -0.92 -1.64 0.00 0.00 178.16 176.67 3kr5 h TYR 293 N 0.47 0.66 -0.46 -3.82 3.20 0.12 0.96 116.97 118.09 3kr5 h TYR 293 Ca 0.04 -0.07 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 3kr5 h TYR 293 Cb 0.92 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.98 3kr5 h TYR 293 CO 0.04 0.61 0.25 0.00 -1.64 0.00 0.00 178.16 177.42 3kr5 h ALA 294 N 0.98 0.59 -0.43 1.82 0.00 -0.84 -2.13 119.26 119.25 3kr5 h ALA 294 Ca 0.13 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.03 3kr5 h ALA 294 Cb 0.26 -0.18 -0.07 0.00 0.00 0.00 0.00 17.79 17.79 3kr5 h ALA 294 CO -0.00 0.12 0.00 1.03 0.00 0.00 0.00 179.25 180.39 3kr5 h SER 295 N 0.61 -0.18 -0.81 0.00 0.87 -0.62 0.02 113.55 113.44 3kr5 h SER 295 Ca 0.16 0.10 0.03 0.00 -1.23 0.00 0.00 61.79 60.85 3kr5 h SER 295 Cb 0.06 0.18 -0.05 0.00 -0.44 0.00 0.00 62.40 62.15 3kr5 h SER 295 CO -0.03 -0.05 0.53 1.56 -0.53 0.00 0.00 176.83 178.31 3kr5 h GLN 296 N 0.11 1.01 -0.39 2.24 4.20 -0.51 0.17 115.11 121.93 3kr5 h GLN 296 Ca 0.22 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.83 3kr5 h GLN 296 Cb 0.31 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.85 3kr5 h GLN 296 CO -0.36 0.67 0.12 -0.07 -0.67 0.00 0.00 178.83 178.52 3kr5 h LEU 297 N 1.04 0.57 -0.06 1.46 3.38 -0.62 -1.97 115.31 119.11 3kr5 h LEU 297 Ca 0.32 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.08 3kr5 h LEU 297 Cb -0.02 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 3kr5 h LEU 297 CO -0.10 0.63 0.01 0.40 0.09 0.00 0.00 178.44 179.46 3kr5 h ILE 298 N 0.49 1.22 -0.53 1.22 2.04 -0.41 -2.99 117.51 118.55 3kr5 h ILE 298 Ca 0.13 -0.66 -0.02 0.00 1.00 0.00 0.00 64.86 65.31 3kr5 h ILE 298 Cb 0.26 1.54 -0.03 0.00 -0.74 0.00 0.00 36.82 37.85 3kr5 h ILE 298 CO -0.00 0.18 0.23 0.00 0.00 0.00 0.00 178.15 178.55 3kr5 h ALA 299 N 0.77 1.41 -1.80 1.87 0.00 -0.66 -3.40 119.26 117.44 3kr5 h ALA 299 Ca 0.02 -0.13 -0.67 0.00 0.00 0.00 0.00 54.91 54.13 3kr5 h ALA 299 Cb 0.28 -0.22 0.04 0.00 0.00 0.00 0.00 17.79 17.89 3kr5 h ALA 299 CO 0.00 0.46 0.72 0.00 0.00 0.00 0.00 179.25 180.43 3kr5 n ALA 300 N -2.46 -0.10 -1.30 0.00 0.00 -0.74 -4.92 120.51 111.00 3kr5 n ALA 300 Ca 0.04 0.44 -0.31 0.00 0.00 0.00 0.00 53.44 53.61 3kr5 n ALA 300 Cb 0.15 -2.22 0.09 0.00 0.00 0.00 0.00 19.45 17.46 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 1.81 2.29 0.60 0.00 0.02 -1.26 -4.58 135.00 133.89 3kr5 s PRO 301 Ca 0.88 1.12 0.38 0.00 0.02 0.00 0.00 61.00 63.40 3kr5 s PRO 301 Cb -0.90 -1.90 1.90 0.00 0.02 0.00 0.00 34.50 33.61 3kr5 s PRO 301 CO 0.51 -1.61 2.19 0.77 -0.33 0.00 0.00 177.00 178.53 3kr5 h SER 302 N -1.10 0.00 0.66 2.53 0.02 -1.81 0.41 113.55 114.26 3kr5 h SER 302 Ca -0.44 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.38 3kr5 h SER 302 Cb 1.23 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.75 3kr5 h SER 302 CO 0.52 0.02 -0.62 -0.55 -1.14 0.00 0.00 176.83 175.06 3kr5 h ASN 303 N 0.00 0.00 0.02 3.07 -1.07 -1.93 -3.29 115.58 112.38 3kr5 h ASN 303 Ca -0.00 0.00 -0.15 0.00 0.07 0.00 0.00 56.30 56.22 3kr5 h ASN 303 Cb 0.24 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.48 3kr5 h ASN 303 CO 0.00 0.62 -0.80 1.88 0.07 0.00 0.00 177.43 179.20 3kr5 h TYR 304 N 0.00 0.09 -3.42 4.14 0.05 -1.18 -3.41 116.97 113.24 3kr5 h TYR 304 Ca -0.01 -0.07 -0.76 0.00 0.05 0.00 0.00 58.73 57.95 3kr5 h TYR 304 Cb 1.11 -0.00 -0.27 0.00 1.01 0.00 0.00 36.73 38.58 3kr5 h TYR 304 CO 0.00 1.31 -0.17 0.00 -1.05 0.00 0.00 178.16 178.25 3kr5 s ASN 306 N 2.64 3.89 0.38 0.00 2.20 -1.25 -4.28 114.94 118.52 3kr5 s ASN 306 Ca 0.10 -1.50 0.12 0.00 -0.94 0.00 0.00 52.86 50.63 3kr5 s ASN 306 Cb -0.22 0.04 0.91 0.00 -2.00 0.00 0.00 41.25 39.98 3kr5 s ASN 306 CO -0.02 -0.64 1.88 -0.65 -2.94 0.00 0.00 177.10 174.72 3kr5 h PRO 307 N 1.61 0.57 -0.03 3.55 0.11 -1.87 0.30 132.00 136.23 3kr5 h PRO 307 Ca -0.44 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.56 3kr5 h PRO 307 Cb 1.27 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3kr5 h PRO 307 CO 0.77 0.38 -0.28 0.28 -0.21 0.00 0.00 178.00 178.93 3kr5 h VAL 308 N 0.59 1.48 -0.17 3.15 2.07 -1.94 -2.36 116.25 119.07 3kr5 h VAL 308 Ca 0.44 -1.81 -0.13 0.00 0.82 0.00 0.00 66.70 66.02 3kr5 h VAL 308 Cb 0.82 2.53 -0.01 0.00 -1.52 0.00 0.00 31.29 33.11 3kr5 h VAL 308 CO -0.19 0.51 -0.46 0.77 0.02 0.00 0.00 177.57 178.22 3kr5 h SER 309 N -0.33 0.47 0.06 0.57 4.64 -1.75 -0.36 113.55 116.84 3kr5 h SER 309 Ca -0.03 -0.22 -0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3kr5 h SER 309 Cb 0.97 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 3kr5 h SER 309 CO 0.06 0.86 -0.03 0.25 -0.87 0.00 0.00 176.83 177.10 3kr5 h LEU 310 N 0.35 -0.07 -1.05 5.97 6.46 -0.46 -0.97 115.31 125.54 3kr5 h LEU 310 Ca 0.02 -0.12 -0.04 0.00 -0.12 0.00 0.00 57.88 57.61 3kr5 h LEU 310 Cb 0.94 0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.87 3kr5 h LEU 310 CO 0.08 0.08 0.17 0.77 -0.62 0.00 0.00 178.44 178.92 3kr5 h SER 311 N -0.22 0.79 -0.67 1.25 4.64 -1.32 -0.90 113.55 117.13 3kr5 h SER 311 Ca -0.01 -0.13 0.04 0.00 -0.47 0.00 0.00 61.79 61.23 3kr5 h SER 311 Cb 0.19 -0.21 -0.05 0.00 -0.31 0.00 0.00 62.40 62.02 3kr5 h SER 311 CO 0.01 0.75 0.39 0.78 -0.87 0.00 0.00 176.83 177.90 3kr5 h ASN 312 N 0.83 0.62 -0.33 4.97 2.35 -0.88 -0.70 115.58 122.43 3kr5 h ASN 312 Ca 0.19 0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.87 3kr5 h ASN 312 Cb 0.25 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 3kr5 h ASN 312 CO -0.01 0.41 -0.06 0.00 -1.65 0.00 0.00 177.43 176.12 3kr5 h ALA 313 N 1.32 1.09 -0.64 -0.83 0.00 -0.36 -0.09 119.26 119.74 3kr5 h ALA 313 Ca 0.28 -0.28 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3kr5 h ALA 313 Cb 0.10 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 3kr5 h ALA 313 CO -0.14 0.57 0.18 0.00 0.00 0.00 0.00 179.25 179.86 3kr5 h ALA 314 N 1.26 0.84 -0.38 0.00 0.00 -0.63 0.62 119.26 120.96 3kr5 h ALA 314 Ca 0.12 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.79 3kr5 h ALA 314 Cb 0.51 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3kr5 h ALA 314 CO 0.03 0.53 0.14 0.28 0.00 0.00 0.00 179.25 180.23 3kr5 h VAL 315 N 0.94 1.20 -0.54 0.00 2.07 -0.49 0.11 116.25 119.53 3kr5 h VAL 315 Ca 0.20 -0.63 0.02 0.00 0.82 0.00 0.00 66.70 67.12 3kr5 h VAL 315 Cb 0.32 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 3kr5 h VAL 315 CO -0.00 0.22 0.33 -0.08 0.02 0.00 0.00 177.57 178.06 3kr5 h GLU 316 N 0.47 0.64 -0.32 1.57 4.81 -0.75 -0.12 114.58 120.89 3kr5 h GLU 316 Ca 0.13 -0.04 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3kr5 h GLU 316 Cb 0.21 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 3kr5 h GLU 316 CO -0.01 0.42 0.19 1.25 -0.73 0.00 0.00 179.01 180.14 3kr5 h LEU 317 N 0.66 0.39 -0.68 1.64 5.85 -0.47 -1.85 115.31 120.85 3kr5 h LEU 317 Ca 0.22 -0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.93 3kr5 h LEU 317 Cb 0.01 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 40.89 3kr5 h LEU 317 CO -0.09 0.34 0.40 0.00 -0.34 0.00 0.00 178.44 178.74 3kr5 h ALA 318 N 1.07 0.91 -0.45 1.25 0.00 -0.34 -1.40 119.26 120.30 3kr5 h ALA 318 Ca 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3kr5 h ALA 318 Cb 0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3kr5 h ALA 318 CO -0.02 0.11 0.20 1.96 0.00 0.00 0.00 179.25 181.50 3kr5 h GLN 319 N 0.75 0.65 0.00 0.00 4.20 -0.74 0.18 115.11 120.16 3kr5 h GLN 319 Ca 0.29 -0.11 -0.03 0.00 0.06 0.00 0.00 58.65 58.86 3kr5 h GLN 319 Cb 0.13 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 3kr5 h GLN 319 CO -0.16 0.57 -0.16 0.87 -0.67 0.00 0.00 178.83 179.28 3kr5 h LYS 320 N 0.58 0.00 -0.12 1.46 1.57 -1.01 -2.87 116.57 116.18 3kr5 h LYS 320 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3kr5 h LYS 320 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.46 3kr5 h LYS 320 CO -0.02 0.16 0.00 1.28 -0.57 0.00 0.00 179.45 180.31 3kr5 n LEU 321 N -4.00 2.82 -3.82 2.94 4.77 -0.56 -4.97 117.00 114.18 3kr5 n LEU 321 Ca -0.02 -1.17 -0.28 0.00 -0.03 0.00 0.00 56.01 54.51 3kr5 n LEU 321 Cb 0.25 -0.07 0.04 0.00 -2.33 0.00 0.00 43.42 41.31 3kr5 n LEU 321 CO 0.34 0.53 0.14 0.59 -1.33 0.00 0.00 177.39 177.66 3kr5 n ASN 322 N 1.15 -5.17 -4.87 -1.43 3.02 0.41 -4.91 115.26 103.45 3kr5 n ASN 322 Ca 0.13 -0.71 -0.33 0.00 -0.03 0.00 0.00 54.58 53.64 3kr5 n ASN 322 Cb 0.51 -4.21 -0.05 0.00 -0.61 0.00 0.00 39.78 35.42 3kr5 n ASN 322 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3kr5 s LEU 323 N -7.28 4.26 0.38 3.41 1.43 0.14 -5.02 118.68 115.99 3kr5 s LEU 323 Ca 0.63 0.83 -0.26 0.00 -1.03 0.00 0.00 54.13 54.30 3kr5 s LEU 323 Cb -0.31 -3.37 -0.09 0.00 0.03 0.00 0.00 46.19 42.45 3kr5 s LEU 323 CO 0.80 0.04 1.19 -1.61 0.23 0.00 0.00 176.35 177.00 3kr5 s GLU 324 N -2.45 4.15 0.03 1.70 0.41 -0.77 -4.56 118.70 117.22 3kr5 s GLU 324 Ca 0.41 1.92 -0.05 0.00 -0.41 0.00 0.00 54.97 56.83 3kr5 s GLU 324 Cb -0.13 -2.79 -0.01 0.00 -1.78 0.00 0.00 34.13 29.42 3kr5 s GLU 324 CO 0.21 -0.26 0.10 1.52 -0.49 0.00 0.00 175.26 176.34 3kr5 s TYR 325 N -1.34 0.18 -0.13 1.61 -0.85 -1.26 0.39 117.35 115.95 3kr5 s TYR 325 Ca 0.55 -0.46 -0.08 0.00 -0.52 0.00 0.00 57.07 56.55 3kr5 s TYR 325 Cb -0.33 -0.13 0.05 0.00 0.38 0.00 0.00 41.96 41.93 3kr5 s TYR 325 CO 0.42 -0.35 0.32 0.21 -1.52 0.00 0.00 175.55 174.63 3kr5 s LYS 326 N -2.41 0.32 -0.24 -3.49 2.20 0.13 -4.98 119.74 111.26 3kr5 s LYS 326 Ca -0.07 0.59 -0.02 0.00 -0.36 0.00 0.00 55.97 56.11 3kr5 s LYS 326 Cb -0.02 0.01 0.02 0.00 -1.51 0.00 0.00 37.83 36.32 3kr5 s LYS 326 CO -0.04 -0.12 -0.06 0.42 -0.36 0.00 0.00 175.35 175.19 3kr5 s ILE 327 N 0.95 3.02 -0.32 5.43 -1.09 -1.26 -1.24 121.20 126.70 3kr5 s ILE 327 Ca -0.06 -0.85 -0.25 0.00 -2.23 0.00 0.00 60.65 57.25 3kr5 s ILE 327 Cb -0.07 -2.48 0.01 0.00 -1.58 0.00 0.00 42.46 38.34 3kr5 s ILE 327 CO -0.07 0.27 0.87 -0.76 -1.23 0.00 0.00 174.94 174.03 3kr5 s LEU 328 N 1.38 4.05 0.71 2.97 1.02 0.08 -4.89 118.68 123.99 3kr5 s LEU 328 Ca 0.02 0.74 -0.03 0.00 0.02 0.00 0.00 54.13 54.89 3kr5 s LEU 328 Cb -0.16 -3.21 0.11 0.00 0.02 0.00 0.00 46.19 42.95 3kr5 s LEU 328 CO -0.04 -0.71 0.98 -0.83 0.02 0.00 0.00 176.35 175.77 3kr5 s GLY 329 N 1.65 1.77 0.19 -3.19 0.00 -1.26 -1.13 107.32 105.35 3kr5 s GLY 329 Ca 0.36 -1.49 -0.13 0.00 0.00 0.00 0.00 44.72 43.46 3kr5 s GLY 329 CO 0.14 -0.98 1.68 -2.08 0.00 0.00 0.00 173.10 171.86 3kr5 h VAL 330 N -0.51 0.59 -0.98 1.40 2.07 -1.96 -0.45 116.25 116.42 3kr5 h VAL 330 Ca -0.39 -0.05 0.06 0.00 0.82 0.00 0.00 66.70 67.14 3kr5 h VAL 330 Cb 1.28 0.45 -0.07 0.00 -1.52 0.00 0.00 31.29 31.43 3kr5 h VAL 330 CO 0.45 0.02 0.63 0.11 0.02 0.00 0.00 177.57 178.80 3kr5 h LYS 331 N 0.13 1.11 -0.12 1.57 1.79 -1.96 0.23 116.57 119.32 3kr5 h LYS 331 Ca 0.27 -0.07 -0.19 0.00 -2.18 0.00 0.00 60.65 58.48 3kr5 h LYS 331 Cb 0.41 -0.25 0.00 0.00 -1.58 0.00 0.00 32.23 30.81 3kr5 h LYS 331 CO -0.43 0.74 -0.72 0.93 -1.08 0.00 0.00 179.45 178.88 3kr5 h GLU 332 N 1.15 0.56 -0.72 3.15 5.08 -1.60 -2.19 114.58 120.00 3kr5 h GLU 332 Ca 0.42 -0.44 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 3kr5 h GLU 332 Cb 0.15 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 3kr5 h GLU 332 CO -0.17 1.07 0.30 -0.07 -1.00 0.00 0.00 179.01 179.14 3kr5 h LEU 333 N 0.39 0.98 -0.57 1.33 3.38 -0.21 0.83 115.31 121.44 3kr5 h LEU 333 Ca -0.03 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 3kr5 h LEU 333 Cb 1.31 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 3kr5 h LEU 333 CO 0.13 0.88 0.28 -0.33 0.09 0.00 0.00 178.44 179.49 3kr5 h GLU 334 N 1.03 0.82 -0.18 1.13 5.08 -0.54 -1.42 114.58 120.50 3kr5 h GLU 334 Ca 0.24 -0.12 -0.06 0.00 -1.00 0.00 0.00 59.36 58.43 3kr5 h GLU 334 Cb 0.19 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3kr5 h GLU 334 CO -0.02 0.66 -0.14 0.93 -1.00 0.00 0.00 179.01 179.44 3kr5 h GLU 335 N 0.77 0.29 -0.01 2.33 5.08 -0.94 0.37 114.58 122.48 3kr5 h GLU 335 Ca 0.20 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3kr5 h GLU 335 Cb 0.11 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.32 3kr5 h GLU 335 CO -0.03 0.44 -0.01 1.28 -1.00 0.00 0.00 179.01 179.69 3kr5 n LEU 336 N -4.25 0.52 -3.43 1.33 4.77 0.24 -4.92 117.00 111.27 3kr5 n LEU 336 Ca -0.00 -0.16 -0.24 0.00 -0.03 0.00 0.00 56.01 55.58 3kr5 n LEU 336 Cb 0.29 -0.02 0.05 0.00 -2.33 0.00 0.00 43.42 41.41 3kr5 n LEU 336 CO 0.39 0.09 0.13 0.29 -1.33 0.00 0.00 177.39 176.95 3kr5 n LYS 337 N -0.62 -6.32 -1.68 3.23 5.02 0.12 -4.67 118.16 113.23 3kr5 n LYS 337 Ca 0.21 0.81 -0.41 0.00 -2.02 0.00 0.00 58.31 56.90 3kr5 n LYS 337 Cb 0.20 -5.76 -0.01 0.00 -0.02 0.00 0.00 35.03 29.45 3kr5 n LYS 337 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3kr5 n MET 338 N -4.56 3.49 -0.01 1.97 2.81 -0.83 -2.17 117.12 117.82 3kr5 n MET 338 Ca -0.03 -2.67 -0.06 0.00 -1.81 0.00 0.00 57.70 53.13 3kr5 n MET 338 Cb 0.58 -2.98 0.14 0.00 -0.71 0.00 0.00 33.22 30.24 3kr5 n MET 338 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3kr5 h GLY 339 N 8.04 0.60 0.85 3.03 0.00 -1.75 0.67 103.07 114.50 3kr5 h GLY 339 Ca 0.68 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 47.46 3kr5 h GLY 339 CO 1.77 0.50 0.01 0.00 0.00 0.00 0.00 176.54 178.82 3kr5 h ALA 340 N 1.17 0.05 -0.08 3.60 0.00 -1.84 -0.30 119.26 121.85 3kr5 h ALA 340 Ca 0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3kr5 h ALA 340 Cb 0.81 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 3kr5 h ALA 340 CO 0.07 -0.37 0.03 -0.92 0.00 0.00 0.00 179.25 178.05 3kr5 h TYR 341 N -0.10 0.13 0.00 0.00 3.20 -1.59 -2.89 116.97 115.72 3kr5 h TYR 341 Ca 0.01 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.81 3kr5 h TYR 341 Cb 0.16 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 3kr5 h TYR 341 CO -0.02 0.27 -0.28 -0.07 -1.64 0.00 0.00 178.16 176.42 3kr5 h LEU 342 N -0.05 0.00 -0.64 2.82 3.38 -0.87 -2.83 115.31 117.12 3kr5 h LEU 342 Ca 0.03 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3kr5 h LEU 342 Cb 0.20 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 3kr5 h LEU 342 CO -0.00 0.28 0.28 0.28 0.09 0.00 0.00 178.44 179.37 3kr5 h SER 343 N 0.00 0.86 -0.75 -0.43 0.02 -0.83 -2.43 113.55 109.99 3kr5 h SER 343 Ca -0.00 -0.15 0.01 0.00 -0.84 0.00 0.00 61.79 60.81 3kr5 h SER 343 Cb 0.57 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.85 3kr5 h SER 343 CO 0.04 0.77 0.49 0.58 -1.14 0.00 0.00 176.83 177.57 3kr5 h VAL 344 N 0.89 1.17 0.00 2.27 2.07 -1.44 -2.72 116.25 118.50 3kr5 h VAL 344 Ca 0.22 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.39 3kr5 h VAL 344 Cb 0.16 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 3kr5 h VAL 344 CO -0.02 0.18 0.00 1.23 0.02 0.00 0.00 177.57 178.98 3kr5 h GLY 345 N 1.00 0.00 -0.31 2.17 0.00 -1.44 -3.36 103.07 101.13 3kr5 h GLY 345 Ca 0.28 0.00 0.21 0.00 0.00 0.00 0.00 47.33 47.83 3kr5 h GLY 345 CO -0.07 0.00 0.26 0.50 0.00 0.00 0.00 176.54 177.23 3kr5 h LYS 346 N 0.00 0.26 0.00 4.80 1.57 -1.10 0.23 116.57 122.33 3kr5 h LYS 346 Ca 0.00 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3kr5 h LYS 346 Cb 0.67 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.93 3kr5 h LYS 346 CO 0.00 0.17 0.00 0.41 -0.57 0.00 0.00 179.45 179.46 3kr5 n GLY 347 N -1.36 -1.04 3.85 3.86 0.00 -1.24 -4.47 105.19 104.80 3kr5 n GLY 347 Ca 0.20 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.83 6.75 0.15 1.61 0.15 0.80 -4.56 113.70 115.78 3kr5 s SER 348 Ca 0.12 1.12 0.24 0.00 0.70 0.00 0.00 55.95 58.14 3kr5 s SER 348 Cb 0.12 -2.31 0.92 0.00 -1.71 0.00 0.00 66.02 63.05 3kr5 s SER 348 CO 0.31 -0.08 1.75 1.15 1.20 0.00 0.00 173.24 177.57 3kr5 n MET 349 N 0.02 0.15 -3.67 5.44 0.00 -1.26 -4.67 117.12 113.14 3kr5 n MET 349 Ca 0.00 0.23 -0.37 0.00 0.00 0.00 0.00 57.70 57.57 3kr5 n MET 349 Cb 0.52 -1.72 -0.10 0.00 0.00 0.00 0.00 33.22 31.93 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 -3.12 3.31 0.44 3.17 1.51 -1.26 -4.89 117.35 116.50 3kr5 s TYR 350 Ca 0.09 0.21 -0.26 0.00 -1.01 0.00 0.00 57.07 56.10 3kr5 s TYR 350 Cb 0.13 -2.27 -0.09 0.00 -0.11 0.00 0.00 41.96 39.62 3kr5 s TYR 350 CO 0.48 0.05 1.45 -2.14 -1.11 0.00 0.00 175.55 174.29 3kr5 s PRO 351 N 1.08 3.77 0.47 -1.71 0.02 -1.26 -4.75 135.00 132.62 3kr5 s PRO 351 Ca 0.07 2.47 -0.23 0.00 0.02 0.00 0.00 61.00 63.34 3kr5 s PRO 351 Cb -0.14 -2.73 -0.08 0.00 0.02 0.00 0.00 34.50 31.57 3kr5 s PRO 351 CO 0.05 -0.77 1.12 0.09 -0.33 0.00 0.00 177.00 177.16 3kr5 n ASN 352 N -0.06 1.72 -3.73 2.53 4.13 -1.26 -4.54 115.26 114.05 3kr5 n ASN 352 Ca 0.04 1.00 -0.20 0.00 1.68 0.00 0.00 54.58 57.10 3kr5 n ASN 352 Cb 0.41 -1.43 -0.17 0.00 -1.54 0.00 0.00 39.78 37.04 3kr5 n ASN 352 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 3kr5 s LYS 353 N -2.33 0.20 -0.28 3.52 -0.14 -0.66 -4.05 119.74 116.00 3kr5 s LYS 353 Ca 0.66 0.23 -0.12 0.00 -1.36 0.00 0.00 55.97 55.39 3kr5 s LYS 353 Cb -0.49 -0.64 -0.05 0.00 -1.68 0.00 0.00 37.83 34.97 3kr5 s LYS 353 CO 0.54 -0.28 0.23 0.12 -0.76 0.00 0.00 175.35 175.20 3kr5 s PHE 354 N 1.86 3.22 -0.16 3.18 2.19 -0.28 -0.96 117.98 127.03 3kr5 s PHE 354 Ca 0.02 0.16 -0.17 0.00 0.33 0.00 0.00 56.93 57.26 3kr5 s PHE 354 Cb -0.12 -2.42 -0.04 0.00 -1.31 0.00 0.00 43.02 39.13 3kr5 s PHE 354 CO -0.03 -0.18 0.45 0.42 1.83 0.00 0.00 175.22 177.71 3kr5 s ILE 355 N 1.82 5.18 -0.28 3.12 1.01 0.14 -0.74 121.20 131.43 3kr5 s ILE 355 Ca 0.08 0.86 -0.02 0.00 0.00 0.00 0.00 60.65 61.58 3kr5 s ILE 355 Cb -0.16 -3.79 0.09 0.00 0.01 0.00 0.00 42.46 38.62 3kr5 s ILE 355 CO 0.11 0.28 0.10 -2.28 0.00 0.00 0.00 174.94 173.14 3kr5 s HIS 356 N 1.03 1.17 0.01 3.97 2.46 -0.37 -1.30 115.29 122.25 3kr5 s HIS 356 Ca 0.23 -1.33 -0.00 0.00 0.47 0.00 0.00 55.06 54.43 3kr5 s HIS 356 Cb -0.15 -1.35 -0.04 0.00 -0.13 0.00 0.00 32.58 30.91 3kr5 s HIS 356 CO 0.09 -0.82 0.09 -0.51 -2.47 0.00 0.00 174.74 171.12 3kr5 s LEU 357 N 1.80 3.92 -0.05 8.88 1.02 0.44 0.17 118.68 134.87 3kr5 s LEU 357 Ca 0.08 0.14 0.01 0.00 0.02 0.00 0.00 54.13 54.38 3kr5 s LEU 357 Cb -0.17 -2.33 0.02 0.00 0.02 0.00 0.00 46.19 43.73 3kr5 s LEU 357 CO -0.26 0.26 -0.05 -0.89 0.02 0.00 0.00 176.35 175.43 3kr5 s THR 358 N -1.23 0.61 -0.19 5.49 2.01 0.16 0.29 115.64 122.78 3kr5 s THR 358 Ca 0.24 -0.16 -0.03 0.00 0.31 0.00 0.00 61.69 62.05 3kr5 s THR 358 Cb -0.12 -0.62 -0.01 0.00 0.01 0.00 0.00 72.50 71.75 3kr5 s THR 358 CO 0.15 0.24 -0.06 -0.47 -0.69 0.00 0.00 174.62 173.80 3kr5 s TYR 359 N 0.92 2.94 -0.09 4.92 5.04 0.76 -1.84 117.35 130.01 3kr5 s TYR 359 Ca -0.11 -0.76 0.02 0.00 -2.44 0.00 0.00 57.07 53.78 3kr5 s TYR 359 Cb -0.14 -2.03 -0.02 0.00 0.35 0.00 0.00 41.96 40.11 3kr5 s TYR 359 CO 0.00 -0.39 -0.14 0.21 -1.34 0.00 0.00 175.55 173.89 3kr5 s LYS 360 N 1.07 2.93 0.68 4.97 2.20 -1.26 0.33 119.74 130.65 3kr5 s LYS 360 Ca 0.01 -0.70 -0.13 0.00 -0.36 0.00 0.00 55.97 54.79 3kr5 s LYS 360 Cb -0.15 -2.49 0.01 0.00 -1.51 0.00 0.00 37.83 33.69 3kr5 s LYS 360 CO -0.00 0.42 1.08 -1.12 -0.36 0.00 0.00 175.35 175.37 3kr5 s SER 361 N -0.20 5.15 0.07 1.43 0.01 0.25 -4.99 113.70 115.43 3kr5 s SER 361 Ca 0.00 1.85 -0.21 0.00 1.31 0.00 0.00 55.95 58.90 3kr5 s SER 361 Cb -0.13 -2.53 -0.12 0.00 0.21 0.00 0.00 66.02 63.45 3kr5 s SER 361 CO 0.03 -1.60 1.55 0.07 0.41 0.00 0.00 173.24 173.70 3kr5 h LYS 362 N -0.30 0.22 0.00 12.44 -0.00 -1.90 -3.46 116.57 123.57 3kr5 h LYS 362 Ca -0.45 -0.05 0.00 0.00 -0.00 0.00 0.00 60.65 60.14 3kr5 h LYS 362 Cb 1.23 -0.03 0.00 0.00 -0.00 0.00 0.00 32.23 33.43 3kr5 h LYS 362 CO 0.55 0.38 0.00 0.41 -0.00 0.00 0.00 179.45 180.79 3kr5 n GLY 363 N -0.49 -0.78 3.75 0.07 0.00 -1.26 -4.96 105.19 101.52 3kr5 n GLY 363 Ca -0.05 -1.51 -0.41 0.00 0.00 0.00 0.00 46.02 44.05 3kr5 n GLY 363 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kr5 s ASP 364 N -1.17 6.58 -0.33 1.61 1.01 -1.26 -4.82 116.67 118.28 3kr5 s ASP 364 Ca 0.00 2.77 -0.22 0.00 0.71 0.00 0.00 52.55 55.81 3kr5 s ASP 364 Cb 0.00 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.30 3kr5 s ASP 364 CO 0.00 -0.75 0.70 -0.69 0.21 0.00 0.00 175.17 174.65 3kr5 s VAL 365 N -0.22 4.84 -0.04 -1.27 1.01 -1.26 -3.79 120.40 119.68 3kr5 s VAL 365 Ca 0.59 0.85 0.20 0.00 0.00 0.00 0.00 61.98 63.62 3kr5 s VAL 365 Cb -0.43 -4.11 -0.30 0.00 0.00 0.00 0.00 36.38 31.54 3kr5 s VAL 365 CO 0.47 -0.29 0.41 0.29 0.00 0.00 0.00 175.10 175.98 3kr5 n LYS 366 N 6.13 0.62 -3.76 2.72 5.02 0.10 -4.96 118.16 124.04 3kr5 n LYS 366 Ca 0.01 -0.17 -0.14 0.00 -2.02 0.00 0.00 58.31 55.99 3kr5 n LYS 366 Cb 0.48 -1.47 -0.15 0.00 -0.02 0.00 0.00 35.03 33.87 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 -3.31 0.03 -0.16 1.97 2.47 -0.87 -5.04 119.74 114.82 3kr5 s LYS 367 Ca -0.07 0.29 -0.02 0.00 -1.56 0.00 0.00 55.97 54.61 3kr5 s LYS 367 Cb 0.12 -0.22 -0.02 0.00 -1.46 0.00 0.00 37.83 36.26 3kr5 s LYS 367 CO 0.82 -0.17 -0.09 0.15 0.16 0.00 0.00 175.35 176.22 3kr5 s LYS 368 N 1.14 3.44 -0.06 4.03 1.02 -1.26 -0.99 119.74 127.07 3kr5 s LYS 368 Ca -0.09 -0.64 0.03 0.00 0.02 0.00 0.00 55.97 55.29 3kr5 s LYS 368 Cb -0.12 -2.78 0.01 0.00 -0.52 0.00 0.00 37.83 34.42 3kr5 s LYS 368 CO -0.05 0.12 -0.14 0.42 -0.92 0.00 0.00 175.35 174.79 3kr5 s ILE 369 N 0.61 1.22 -0.22 2.17 1.01 0.47 0.12 121.20 126.57 3kr5 s ILE 369 Ca -0.05 -0.56 -0.06 0.00 0.00 0.00 0.00 60.65 59.97 3kr5 s ILE 369 Cb -0.15 -1.09 -0.03 0.00 0.01 0.00 0.00 42.46 41.21 3kr5 s ILE 369 CO 0.03 0.37 0.03 0.00 0.00 0.00 0.00 174.94 175.37 3kr5 s ALA 370 N 0.40 3.08 -0.26 9.38 0.00 0.50 0.10 121.76 134.96 3kr5 s ALA 370 Ca -0.10 -1.06 -0.07 0.00 0.00 0.00 0.00 51.96 50.73 3kr5 s ALA 370 Cb -0.14 -1.91 -0.02 0.00 0.00 0.00 0.00 23.12 21.05 3kr5 s ALA 370 CO 0.03 -0.32 0.06 -0.51 0.00 0.00 0.00 175.76 175.02 3kr5 s LEU 371 N 1.31 3.45 -0.20 0.00 1.43 0.13 -0.95 118.68 123.84 3kr5 s LEU 371 Ca 0.04 -0.34 -0.02 0.00 -1.03 0.00 0.00 54.13 52.78 3kr5 s LEU 371 Cb -0.15 -1.89 0.00 0.00 0.03 0.00 0.00 46.19 44.19 3kr5 s LEU 371 CO 0.02 -0.07 -0.10 -0.69 0.23 0.00 0.00 176.35 175.74 3kr5 s VAL 372 N 1.57 2.91 -0.11 -1.59 1.01 0.10 0.23 120.40 124.52 3kr5 s VAL 372 Ca 0.06 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.37 3kr5 s VAL 372 Cb -0.15 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 3kr5 s VAL 372 CO 0.02 0.47 -0.05 -0.83 0.00 0.00 0.00 175.10 174.71 3kr5 s GLY 373 N 1.34 1.70 0.07 4.51 0.00 0.67 -0.08 107.32 115.53 3kr5 s GLY 373 Ca 0.04 -0.85 -0.31 0.00 0.00 0.00 0.00 44.72 43.60 3kr5 s GLY 373 CO -0.06 -0.36 1.42 1.25 0.00 0.00 0.00 173.10 175.36 3kr5 s LYS 374 N -0.21 4.29 -0.53 2.90 2.20 -0.22 -4.13 119.74 124.04 3kr5 s LYS 374 Ca 0.03 2.07 0.07 0.00 -0.36 0.00 0.00 55.97 57.77 3kr5 s LYS 374 Cb -0.13 -3.40 0.34 0.00 -1.51 0.00 0.00 37.83 33.13 3kr5 s LYS 374 CO 0.03 -0.52 0.89 0.41 -0.36 0.00 0.00 175.35 175.80 3kr5 n GLY 375 N 3.60 5.12 3.51 5.54 0.00 -1.25 -1.13 105.19 120.57 3kr5 n GLY 375 Ca 0.13 -2.53 -0.43 0.00 0.00 0.00 0.00 46.02 43.18 3kr5 n GLY 375 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3kr5 s ILE 376 N -3.92 4.81 0.18 -0.61 -1.09 -0.89 -1.21 121.20 118.46 3kr5 s ILE 376 Ca 0.47 0.03 0.07 0.00 -2.23 0.00 0.00 60.65 58.99 3kr5 s ILE 376 Cb 0.29 -4.24 -0.14 0.00 -1.58 0.00 0.00 42.46 36.79 3kr5 s ILE 376 CO -0.12 -0.65 1.41 0.71 -1.23 0.00 0.00 174.94 175.05 3kr5 h THR 377 N 5.88 1.59 -3.21 2.92 1.35 -1.30 -0.82 112.91 119.33 3kr5 h THR 377 Ca -0.26 -2.87 -0.17 0.00 -0.55 0.00 0.00 66.41 62.57 3kr5 h THR 377 Cb 1.09 2.56 -0.26 0.00 -1.73 0.00 0.00 68.15 69.82 3kr5 h THR 377 CO 0.91 0.82 -0.46 0.12 -0.25 0.00 0.00 175.52 176.67 3kr5 s PHE 378 N -3.08 -0.23 -0.39 4.73 5.36 -1.26 -4.36 117.98 118.74 3kr5 s PHE 378 Ca -0.00 0.56 0.04 0.00 -0.96 0.00 0.00 56.93 56.57 3kr5 s PHE 378 Cb 0.11 0.08 0.11 0.00 -0.34 0.00 0.00 43.02 42.98 3kr5 s PHE 378 CO 0.80 -0.13 0.11 0.34 -1.46 0.00 0.00 175.22 174.88 3kr5 s ASP 379 N 0.03 4.63 0.22 6.13 2.15 -1.13 -0.76 116.67 127.93 3kr5 s ASP 379 Ca -0.01 -2.38 0.25 0.00 0.43 0.00 0.00 52.55 50.84 3kr5 s ASP 379 Cb -0.02 -1.61 0.64 0.00 -0.30 0.00 0.00 42.92 41.62 3kr5 s ASP 379 CO 0.00 -0.34 1.64 0.77 -0.17 0.00 0.00 175.17 177.08 3kr5 h SER 380 N 7.31 0.00 0.00 -0.34 4.64 -1.39 -3.45 113.55 120.33 3kr5 h SER 380 Ca -0.05 -0.05 0.00 0.00 -0.47 0.00 0.00 61.79 61.22 3kr5 h SER 380 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 3kr5 h SER 380 CO 0.56 0.02 0.00 0.61 -0.87 0.00 0.00 176.83 177.16 3kr5 n GLY 381 N 1.29 3.26 7.00 -0.77 0.00 -1.25 -0.53 105.19 114.19 3kr5 n GLY 381 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3kr5 n GLY 381 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kr5 n GLY 382 N -1.92 -0.49 0.35 -0.02 0.00 -1.25 -1.99 105.19 99.86 3kr5 n GLY 382 Ca 0.00 -1.09 0.17 0.00 0.00 0.00 0.00 46.02 45.10 3kr5 n GLY 382 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3kr5 h TYR 383 N 0.00 0.00 0.00 1.61 0.05 -1.81 -0.20 116.97 116.62 3kr5 h TYR 383 Ca 0.00 0.00 -0.49 0.00 0.05 0.00 0.00 58.73 58.29 3kr5 h TYR 383 Cb 0.00 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.75 3kr5 h TYR 383 CO 0.00 0.00 2.72 0.09 -1.05 0.00 0.00 178.16 179.92 3kr5 n ASN 384 N -4.35 6.96 -4.64 3.88 4.13 -1.21 -4.97 115.26 115.06 3kr5 n ASN 384 Ca 0.06 -2.46 -0.42 0.00 1.68 0.00 0.00 54.58 53.44 3kr5 n ASN 384 Cb 0.45 -1.38 0.01 0.00 -1.54 0.00 0.00 39.78 37.33 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 3.53 2.96 -4.57 3.41 7.94 -0.09 -4.51 117.00 125.68 3kr5 n LEU 385 Ca 0.62 1.09 -0.29 0.00 -1.11 0.00 0.00 56.01 56.32 3kr5 n LEU 385 Cb 0.32 -1.40 -0.05 0.00 0.53 0.00 0.00 43.42 42.82 3kr5 n LEU 385 CO 0.68 -1.15 1.42 -0.54 -1.11 0.00 0.00 177.39 176.69 3kr5 s LYS 386 N -1.98 2.71 -0.00 1.96 1.02 0.31 -4.50 119.74 119.25 3kr5 s LYS 386 Ca 0.61 -0.67 0.02 0.00 0.02 0.00 0.00 55.97 55.96 3kr5 s LYS 386 Cb -0.57 -5.16 -0.03 0.00 -0.52 0.00 0.00 37.83 31.55 3kr5 s LYS 386 CO 0.58 -3.36 0.06 0.00 -0.92 0.00 0.00 175.35 171.71 3kr5 n ALA 387 N 13.31 2.11 -1.77 5.17 0.00 -1.26 -4.70 120.51 133.37 3kr5 n ALA 387 Ca 0.41 -0.06 -0.36 0.00 0.00 0.00 0.00 53.44 53.43 3kr5 n ALA 387 Cb 0.47 -0.08 -0.00 0.00 0.00 0.00 0.00 19.45 19.84 3kr5 n ALA 387 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kr5 s ALA 388 N -2.03 2.87 0.36 0.00 0.00 -1.26 -4.96 121.76 116.74 3kr5 s ALA 388 Ca -0.01 0.92 -0.28 0.00 0.00 0.00 0.00 51.96 52.60 3kr5 s ALA 388 Cb 0.02 -3.39 -0.12 0.00 0.00 0.00 0.00 23.12 19.63 3kr5 s ALA 388 CO 0.10 -0.74 1.41 -2.30 0.00 0.00 0.00 175.76 174.23 3kr5 n PRO 389 N -0.77 2.44 -0.99 0.00 -0.02 -1.26 -1.90 135.00 132.49 3kr5 n PRO 389 Ca 0.09 0.85 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 3kr5 n PRO 389 Cb 0.49 -2.52 0.00 0.00 -0.02 0.00 0.00 33.50 31.44 3kr5 n PRO 389 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kr5 n GLY 390 N 0.69 0.55 0.08 -1.23 0.00 -1.26 -4.89 105.19 99.14 3kr5 n GLY 390 Ca 0.03 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.08 0.68 -3.70 1.61 3.41 -0.80 -4.97 113.62 109.78 3kr5 n SER 391 Ca 0.00 0.51 -0.22 0.00 -0.26 0.00 0.00 58.87 58.90 3kr5 n SER 391 Cb 0.04 -0.65 0.04 0.00 -0.26 0.00 0.00 64.21 63.38 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 -2.12 -5.39 0.18 4.33 2.81 -1.26 -4.85 117.12 110.82 3kr5 n MET 392 Ca 0.06 0.66 0.10 0.00 -1.81 0.00 0.00 57.70 56.70 3kr5 n MET 392 Cb 0.42 -5.35 0.63 0.00 -0.71 0.00 0.00 33.22 28.20 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 -1.95 0.96 0.00 2.02 2.10 -1.92 -0.64 117.51 118.07 3kr5 h ILE 393 Ca -0.60 -0.02 0.00 0.00 1.08 0.00 0.00 64.86 65.32 3kr5 h ILE 393 Cb 1.36 0.90 0.00 0.00 -1.09 0.00 0.00 36.82 37.99 3kr5 h ILE 393 CO 0.57 0.01 0.00 -0.90 -1.08 0.00 0.00 178.15 176.75 3kr5 n ASP 394 N -4.51 0.00 0.00 2.19 5.75 -1.26 -2.03 116.55 116.70 3kr5 n ASP 394 Ca 0.00 0.47 0.11 0.00 -0.01 0.00 0.00 54.79 55.35 3kr5 n ASP 394 Cb 0.18 -0.48 -0.01 0.00 -1.03 0.00 0.00 41.12 39.78 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 -1.48 0.82 0.00 -2.12 7.94 -0.25 -4.61 117.00 117.29 3kr5 n LEU 395 Ca 0.04 -0.32 0.07 0.00 -1.11 0.00 0.00 56.01 54.69 3kr5 n LEU 395 Cb 0.19 -0.08 0.43 0.00 0.53 0.00 0.00 43.42 44.50 3kr5 n LEU 395 CO 0.15 0.20 0.65 0.23 -1.11 0.00 0.00 177.39 177.52 3kr5 n MET 396 N -1.53 0.60 0.26 1.96 2.81 -0.86 -0.70 117.12 119.66 3kr5 n MET 396 Ca 0.04 0.00 0.18 0.00 -1.81 0.00 0.00 57.70 56.11 3kr5 n MET 396 Cb 0.34 -1.38 0.82 0.00 -0.71 0.00 0.00 33.22 32.29 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 -0.00 0.03 2.10 -1.82 -2.96 116.57 113.92 3kr5 h LYS 397 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3kr5 h LYS 397 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3kr5 h LYS 397 CO 0.00 0.00 -0.08 1.97 -2.00 0.00 0.00 179.45 179.34 3kr5 n PHE 398 N -2.87 0.00 1.23 0.07 -0.00 0.12 -4.01 117.46 112.01 3kr5 n PHE 398 Ca -0.01 0.00 0.08 0.00 -0.00 0.00 0.00 57.45 57.52 3kr5 n PHE 398 Cb 0.19 -0.16 0.46 0.00 -0.00 0.00 0.00 39.48 39.97 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 -0.92 0.00 -1.33 5.98 2.03 -1.13 -0.96 116.55 120.22 3kr5 n ASP 399 Ca 0.16 -0.75 0.08 0.00 0.52 0.00 0.00 54.79 54.80 3kr5 n ASP 399 Cb 0.26 0.00 0.31 0.00 -0.72 0.00 0.00 41.12 40.97 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 -0.89 3.64 -0.34 -0.67 0.00 -0.31 -2.09 117.12 116.45 3kr5 n MET 400 Ca 0.12 -2.82 0.10 0.00 0.00 0.00 0.00 57.70 55.10 3kr5 n MET 400 Cb 0.05 -1.87 0.28 0.00 0.00 0.00 0.00 33.22 31.68 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 3.15 0.73 -0.45 3.17 0.02 -1.21 0.87 113.55 119.82 3kr5 h SER 401 Ca 0.00 0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 61.01 3kr5 h SER 401 Cb 1.46 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.94 3kr5 h SER 401 CO 0.25 0.29 0.19 1.23 -1.14 0.00 0.00 176.83 177.65 3kr5 h GLY 402 N 0.76 0.73 1.23 -3.77 0.00 -1.72 0.61 103.07 100.90 3kr5 h GLY 402 Ca 0.54 -0.39 -0.06 0.00 0.00 0.00 0.00 47.33 47.42 3kr5 h GLY 402 CO -0.36 0.37 0.17 0.00 0.00 0.00 0.00 176.54 176.72 3kr5 h ALA 404 N 1.25 0.27 -0.25 0.00 0.00 0.35 0.08 119.26 120.95 3kr5 h ALA 404 Ca 0.20 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.06 3kr5 h ALA 404 Cb 0.30 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 3kr5 h ALA 404 CO -0.00 -0.17 0.05 0.00 0.00 0.00 0.00 179.25 179.13 3kr5 h ALA 405 N 0.95 0.25 -0.72 0.00 0.00 0.66 0.24 119.26 120.66 3kr5 h ALA 405 Ca 0.07 0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.05 3kr5 h ALA 405 Cb 0.13 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 3kr5 h ALA 405 CO -0.01 -0.37 0.46 0.28 0.00 0.00 0.00 179.25 179.61 3kr5 h VAL 406 N 0.14 1.14 -0.38 0.00 2.07 -1.02 0.16 116.25 118.36 3kr5 h VAL 406 Ca 0.11 -0.32 -0.08 0.00 0.82 0.00 0.00 66.70 67.23 3kr5 h VAL 406 Cb 0.11 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 3kr5 h VAL 406 CO -0.15 0.17 -0.09 -0.07 0.02 0.00 0.00 177.57 177.45 3kr5 h LEU 407 N 0.93 0.73 -1.34 2.57 3.38 -0.16 0.17 115.31 121.59 3kr5 h LEU 407 Ca 0.27 -0.36 0.00 0.00 0.09 0.00 0.00 57.88 57.89 3kr5 h LEU 407 Cb -0.05 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 3kr5 h LEU 407 CO -0.08 0.92 0.43 1.23 0.09 0.00 0.00 178.44 181.03 3kr5 h GLY 408 N 0.53 0.92 0.96 0.83 0.00 -0.23 -0.42 103.07 105.66 3kr5 h GLY 408 Ca 0.10 -0.35 -0.05 0.00 0.00 0.00 0.00 47.33 47.02 3kr5 h GLY 408 CO 0.04 0.34 0.07 0.00 0.00 0.00 0.00 176.54 176.99 3kr5 h ALA 410 N 0.94 1.20 -0.01 0.00 0.00 0.12 0.24 119.26 121.75 3kr5 h ALA 410 Ca 0.13 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.10 3kr5 h ALA 410 Cb 0.39 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 3kr5 h ALA 410 CO 0.01 0.13 -0.20 -0.92 0.00 0.00 0.00 179.25 178.27 3kr5 h TYR 411 N 0.83 -0.54 -0.22 0.00 3.20 -0.69 0.60 116.97 120.15 3kr5 h TYR 411 Ca 0.40 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.28 3kr5 h TYR 411 Cb 0.34 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.84 3kr5 h TYR 411 CO -0.05 -0.29 0.10 0.00 -1.64 0.00 0.00 178.16 176.28 3kr5 h VAL 413 N 0.22 1.20 0.00 0.00 2.07 -0.52 0.34 116.25 119.55 3kr5 h VAL 413 Ca 0.08 -0.62 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 3kr5 h VAL 413 Cb 0.13 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3kr5 h VAL 413 CO -0.01 0.20 -0.02 1.23 0.02 0.00 0.00 177.57 178.99 3kr5 h GLY 414 N 0.19 0.00 0.11 2.17 0.00 0.42 0.72 103.07 106.68 3kr5 h GLY 414 Ca 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.25 3kr5 h GLY 414 CO -0.00 0.00 -0.83 -0.84 0.00 0.00 0.00 176.54 174.87 3kr5 h THR 415 N 0.00 1.26 0.00 4.70 2.02 -0.70 -3.37 112.91 116.82 3kr5 h THR 415 Ca -0.00 -2.29 0.00 0.00 0.77 0.00 0.00 66.41 64.89 3kr5 h THR 415 Cb 0.04 2.75 0.00 0.00 -1.74 0.00 0.00 68.15 69.20 3kr5 h THR 415 CO 0.00 0.49 0.00 0.18 0.37 0.00 0.00 175.52 176.57 3kr5 n LEU 416 N -4.40 0.72 -3.67 2.58 4.77 0.12 -4.97 117.00 112.15 3kr5 n LEU 416 Ca -0.23 0.57 -0.23 0.00 -0.03 0.00 0.00 56.01 56.10 3kr5 n LEU 416 Cb 0.65 -0.35 0.01 0.00 -2.33 0.00 0.00 43.42 41.40 3kr5 n LEU 416 CO 0.29 -0.18 -0.11 0.29 -1.33 0.00 0.00 177.39 176.35 3kr5 n LYS 417 N -2.18 -1.33 -1.24 3.23 5.02 0.24 -4.94 118.16 116.96 3kr5 n LYS 417 Ca 0.06 0.79 -0.32 0.00 -2.02 0.00 0.00 58.31 56.82 3kr5 n LYS 417 Cb 0.41 -3.17 0.10 0.00 -0.02 0.00 0.00 35.03 32.35 3kr5 n LYS 417 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3kr5 s PRO 418 N -4.95 2.06 0.27 1.97 0.04 -1.26 -5.04 135.00 128.10 3kr5 s PRO 418 Ca 0.10 1.36 0.06 0.00 0.04 0.00 0.00 61.00 62.56 3kr5 s PRO 418 Cb -0.05 -1.86 -0.03 0.00 0.04 0.00 0.00 34.50 32.61 3kr5 s PRO 418 CO 0.87 -1.82 0.37 -1.21 0.04 0.00 0.00 177.00 175.26 3kr5 s GLU 419 N -4.59 3.28 -1.89 4.56 2.02 -1.26 -4.57 118.70 116.24 3kr5 s GLU 419 Ca 0.65 -0.88 0.00 0.00 0.02 0.00 0.00 54.97 54.76 3kr5 s GLU 419 Cb -0.20 -2.82 0.00 0.00 0.10 0.00 0.00 34.13 31.21 3kr5 s GLU 419 CO 0.53 0.32 0.00 0.09 0.02 0.00 0.00 175.26 176.21 3kr5 n ASN 420 N -1.44 -5.33 -4.26 -0.19 3.02 -1.25 -4.96 115.26 100.84 3kr5 n ASN 420 Ca -0.06 0.44 -0.24 0.00 -0.03 0.00 0.00 54.58 54.69 3kr5 n ASN 420 Cb 0.57 -4.40 -0.13 0.00 -0.61 0.00 0.00 39.78 35.21 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 -2.60 1.65 -0.15 2.41 -7.23 -1.26 0.03 120.40 113.26 3kr5 s VAL 421 Ca 0.00 -1.40 0.02 0.00 -1.81 0.00 0.00 61.98 58.78 3kr5 s VAL 421 Cb 0.00 -1.48 0.02 0.00 0.56 0.00 0.00 36.38 35.47 3kr5 s VAL 421 CO 0.00 0.02 -0.19 -0.70 -0.31 0.00 0.00 175.10 173.92 3kr5 s GLU 422 N -1.64 2.76 -0.09 4.82 2.12 -0.17 -0.58 118.70 125.92 3kr5 s GLU 422 Ca 0.06 -0.75 0.04 0.00 0.36 0.00 0.00 54.97 54.68 3kr5 s GLU 422 Cb -0.10 -2.32 0.00 0.00 0.26 0.00 0.00 34.13 31.97 3kr5 s GLU 422 CO 0.03 -0.11 -0.23 0.42 -0.54 0.00 0.00 175.26 174.84 3kr5 s ILE 423 N 1.07 1.95 -0.18 -3.70 1.01 0.15 -0.40 121.20 121.11 3kr5 s ILE 423 Ca -0.02 -0.96 -0.05 0.00 0.00 0.00 0.00 60.65 59.62 3kr5 s ILE 423 Cb -0.14 -1.69 -0.03 0.00 0.01 0.00 0.00 42.46 40.60 3kr5 s ILE 423 CO -0.06 0.54 -0.00 -1.00 0.00 0.00 0.00 174.94 174.41 3kr5 s HIS 424 N 0.35 3.08 -0.29 3.97 3.76 0.11 -0.17 115.29 126.10 3kr5 s HIS 424 Ca -0.18 -0.26 -0.07 0.00 -0.15 0.00 0.00 55.06 54.40 3kr5 s HIS 424 Cb -0.18 -2.03 0.00 0.00 1.11 0.00 0.00 32.58 31.49 3kr5 s HIS 424 CO 0.08 -0.06 0.09 -0.06 -0.85 0.00 0.00 174.74 173.95 3kr5 s PHE 425 N 0.57 3.14 -0.05 1.40 0.08 0.15 0.18 117.98 123.46 3kr5 s PHE 425 Ca -0.01 -0.82 0.04 0.00 0.12 0.00 0.00 56.93 56.26 3kr5 s PHE 425 Cb -0.14 -2.28 -0.00 0.00 -0.57 0.00 0.00 43.02 40.03 3kr5 s PHE 425 CO 0.02 -0.53 -0.19 -0.51 -0.10 0.00 0.00 175.22 173.92 3kr5 s LEU 426 N 1.54 1.94 -0.12 -0.37 1.43 0.14 -0.42 118.68 122.81 3kr5 s LEU 426 Ca 0.04 -0.39 -0.05 0.00 -1.03 0.00 0.00 54.13 52.69 3kr5 s LEU 426 Cb -0.17 -1.06 0.05 0.00 0.03 0.00 0.00 46.19 45.04 3kr5 s LEU 426 CO 0.03 0.16 0.26 -0.55 0.23 0.00 0.00 176.35 176.49 3kr5 s SER 427 N 0.06 -0.12 -0.72 2.29 0.15 -0.42 -0.24 113.70 114.69 3kr5 s SER 427 Ca -0.05 0.57 -0.24 0.00 0.70 0.00 0.00 55.95 56.93 3kr5 s SER 427 Cb -0.13 0.51 0.06 0.00 -1.71 0.00 0.00 66.02 64.76 3kr5 s SER 427 CO 0.03 -0.19 1.11 0.00 1.20 0.00 0.00 173.24 175.40 3kr5 s ALA 428 N 1.58 2.98 -0.12 5.45 0.00 -1.26 0.24 121.76 130.63 3kr5 s ALA 428 Ca -0.07 -1.76 -0.14 0.00 0.00 0.00 0.00 51.96 50.00 3kr5 s ALA 428 Cb -0.11 -4.05 -0.05 0.00 0.00 0.00 0.00 23.12 18.92 3kr5 s ALA 428 CO -0.09 -3.02 0.33 0.08 0.00 0.00 0.00 175.76 173.06 3kr5 s VAL 429 N 4.61 5.25 0.30 0.00 1.01 -0.14 -3.92 120.40 127.53 3kr5 s VAL 429 Ca 0.29 0.63 -0.18 0.00 0.00 0.00 0.00 61.98 62.71 3kr5 s VAL 429 Cb -0.12 -3.65 0.06 0.00 0.00 0.00 0.00 36.38 32.67 3kr5 s VAL 429 CO 0.09 0.45 0.88 0.00 0.00 0.00 0.00 175.10 176.52 3kr5 s GLU 431 N -2.36 1.80 -0.64 0.00 2.12 -1.26 -0.91 118.70 117.45 3kr5 s GLU 431 Ca 0.17 -0.58 -0.15 0.00 0.36 0.00 0.00 54.97 54.78 3kr5 s GLU 431 Cb -0.04 -1.54 0.16 0.00 0.26 0.00 0.00 34.13 32.97 3kr5 s GLU 431 CO 0.09 0.20 0.59 1.21 -0.54 0.00 0.00 175.26 176.80 3kr5 s ASN 432 N 0.16 6.36 0.40 -1.70 2.47 0.06 -4.23 114.94 118.46 3kr5 s ASN 432 Ca -0.06 -2.13 0.07 0.00 0.42 0.00 0.00 52.86 51.16 3kr5 s ASN 432 Cb -0.12 -2.20 -0.08 0.00 -1.45 0.00 0.00 41.25 37.40 3kr5 s ASN 432 CO 0.03 -0.75 -0.00 -0.04 -3.72 0.00 0.00 177.10 172.62 3kr5 s MET 433 N 1.06 1.93 -0.23 0.43 -1.94 -1.26 -0.90 119.30 118.39 3kr5 s MET 433 Ca 0.09 -2.08 -0.06 0.00 -1.71 0.00 0.00 55.69 51.93 3kr5 s MET 433 Cb -0.23 -1.61 -0.02 0.00 2.01 0.00 0.00 34.83 34.98 3kr5 s MET 433 CO -0.01 -0.03 0.02 0.08 -0.01 0.00 0.00 175.02 175.06 3kr5 s VAL 434 N -2.73 3.99 0.14 -6.03 1.01 -1.26 -4.46 120.40 111.06 3kr5 s VAL 434 Ca 0.35 -0.29 -0.23 0.00 0.00 0.00 0.00 61.98 61.81 3kr5 s VAL 434 Cb 0.09 -2.84 0.07 0.00 0.00 0.00 0.00 36.38 33.70 3kr5 s VAL 434 CO 0.18 0.39 0.59 -0.55 0.00 0.00 0.00 175.10 175.71 3kr5 s SER 435 N 1.39 -0.56 0.66 3.32 0.15 -1.26 -4.99 113.70 112.41 3kr5 s SER 435 Ca 0.05 0.04 0.31 0.00 0.70 0.00 0.00 55.95 57.05 3kr5 s SER 435 Cb -0.15 0.59 1.69 0.00 -1.71 0.00 0.00 66.02 66.44 3kr5 s SER 435 CO 0.01 -0.93 1.95 0.07 1.20 0.00 0.00 173.24 175.54 3kr5 h LYS 436 N 2.11 0.00 -0.02 5.44 2.10 -1.97 -2.41 116.57 121.81 3kr5 h LYS 436 Ca -0.33 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.32 3kr5 h LYS 436 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 3kr5 h LYS 436 CO 0.39 0.00 -0.25 0.09 -2.00 0.00 0.00 179.45 177.68 3kr5 n ASN 437 N -2.89 2.51 -4.74 7.07 5.03 -1.26 -4.99 115.26 115.99 3kr5 n ASN 437 Ca -0.02 -1.75 -0.32 0.00 0.87 0.00 0.00 54.58 53.36 3kr5 n ASN 437 Cb 0.35 0.25 0.10 0.00 -1.02 0.00 0.00 39.78 39.46 3kr5 n ASN 437 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 3kr5 s SER 438 N -2.25 4.18 0.56 6.41 0.01 -0.91 -3.59 113.70 118.11 3kr5 s SER 438 Ca 0.23 2.03 -0.17 0.00 1.31 0.00 0.00 55.95 59.35 3kr5 s SER 438 Cb 0.19 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.82 3kr5 s SER 438 CO 0.44 -2.26 1.05 -0.72 0.41 0.00 0.00 173.24 172.16 3kr5 s TYR 439 N -2.59 3.02 0.18 2.43 1.13 -1.26 -4.83 117.35 115.44 3kr5 s TYR 439 Ca 0.66 1.53 0.07 0.00 -1.41 0.00 0.00 57.07 57.91 3kr5 s TYR 439 Cb -0.21 -3.01 -0.04 0.00 -1.10 0.00 0.00 41.96 37.60 3kr5 s TYR 439 CO 0.52 -0.99 0.04 1.03 -2.51 0.00 0.00 175.55 173.64 3kr5 s ARG 440 N -3.82 2.52 0.19 -3.49 0.52 -1.26 -4.58 118.95 109.03 3kr5 s ARG 440 Ca 0.64 -1.08 -0.33 0.00 -0.52 0.00 0.00 55.73 54.45 3kr5 s ARG 440 Cb -0.16 -2.41 -0.14 0.00 0.52 0.00 0.00 34.95 32.76 3kr5 s ARG 440 CO 0.31 0.45 1.43 -0.35 0.02 0.00 0.00 175.30 177.17 3kr5 n PRO 441 N -0.29 1.91 0.00 3.54 -0.04 -1.26 -2.04 135.00 136.82 3kr5 n PRO 441 Ca -0.09 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 64.05 3kr5 n PRO 441 Cb 0.56 -2.36 0.00 0.00 -0.04 0.00 0.00 33.50 31.66 3kr5 n PRO 441 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3kr5 n GLY 442 N 2.57 2.40 3.62 0.55 0.00 0.27 -5.02 105.19 109.57 3kr5 n GLY 442 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 3kr5 n GLY 442 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kr5 n ASP 443 N 0.00 1.59 -4.39 1.61 9.92 -0.86 -4.43 116.55 119.99 3kr5 n ASP 443 Ca 0.00 1.14 -0.35 0.00 -0.53 0.00 0.00 54.79 55.06 3kr5 n ASP 443 Cb 0.00 -1.35 -0.13 0.00 -0.64 0.00 0.00 41.12 39.00 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 -1.13 3.68 0.28 0.53 1.01 -1.26 -0.08 121.20 124.23 3kr5 s ILE 444 Ca 0.59 -0.40 0.10 0.00 0.00 0.00 0.00 60.65 60.94 3kr5 s ILE 444 Cb -0.63 -2.66 -0.05 0.00 0.01 0.00 0.00 42.46 39.12 3kr5 s ILE 444 CO 0.60 0.43 -0.15 0.27 0.00 0.00 0.00 174.94 176.08 3kr5 s ILE 445 N 1.15 2.19 -0.21 2.92 -4.36 0.30 -4.90 121.20 118.29 3kr5 s ILE 445 Ca 0.02 -2.30 -0.00 0.00 -0.26 0.00 0.00 60.65 58.11 3kr5 s ILE 445 Cb -0.15 -2.33 0.02 0.00 1.25 0.00 0.00 42.46 41.25 3kr5 s ILE 445 CO 0.00 -0.39 -0.14 -0.89 0.24 0.00 0.00 174.94 173.76 3kr5 s THR 446 N -2.68 2.43 0.83 8.37 2.01 -1.26 0.33 115.64 125.67 3kr5 s THR 446 Ca 0.29 -0.95 -0.12 0.00 0.31 0.00 0.00 61.69 61.22 3kr5 s THR 446 Cb -0.02 -2.12 0.09 0.00 0.01 0.00 0.00 72.50 70.46 3kr5 s THR 446 CO 0.13 0.40 1.10 0.00 -0.69 0.00 0.00 174.62 175.57 3kr5 s ALA 447 N 1.31 2.05 -0.67 7.40 0.00 0.14 -2.34 121.76 129.65 3kr5 s ALA 447 Ca 0.03 -0.23 0.15 0.00 0.00 0.00 0.00 51.96 51.91 3kr5 s ALA 447 Cb -0.15 -3.11 0.68 0.00 0.00 0.00 0.00 23.12 20.55 3kr5 s ALA 447 CO -0.09 -1.92 1.45 -1.13 0.00 0.00 0.00 175.76 174.07 3kr5 n SER 448 N -3.56 0.30 -1.07 0.00 3.41 -0.92 -0.25 113.62 111.53 3kr5 n SER 448 Ca 0.07 0.61 0.10 0.00 -0.26 0.00 0.00 58.87 59.38 3kr5 n SER 448 Cb 0.56 -0.66 0.26 0.00 -0.26 0.00 0.00 64.21 64.12 3kr5 n SER 448 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3kr5 n ASN 449 N -1.87 3.12 0.00 4.04 6.94 -1.26 -4.93 115.26 121.30 3kr5 n ASN 449 Ca 0.01 -1.99 0.00 0.00 -0.02 0.00 0.00 54.58 52.58 3kr5 n ASN 449 Cb 0.10 -0.37 0.00 0.00 -2.36 0.00 0.00 39.78 37.15 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 1.43 2.02 3.72 4.83 0.00 0.66 -5.02 105.19 112.83 3kr5 n GLY 450 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 3kr5 n GLY 450 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kr5 s LYS 451 N -0.28 4.26 0.11 1.61 1.02 -1.26 -4.76 119.74 120.45 3kr5 s LYS 451 Ca 0.00 2.22 -0.20 0.00 0.02 0.00 0.00 55.97 58.01 3kr5 s LYS 451 Cb 0.00 -3.21 -0.07 0.00 -0.52 0.00 0.00 37.83 34.02 3kr5 s LYS 451 CO 0.00 -0.53 0.62 0.95 -0.92 0.00 0.00 175.35 175.47 3kr5 s THR 452 N 1.18 4.66 -0.10 2.17 -4.23 -1.26 -0.68 115.64 117.38 3kr5 s THR 452 Ca 0.68 1.29 0.01 0.00 -1.18 0.00 0.00 61.69 62.49 3kr5 s THR 452 Cb -0.40 -3.93 0.02 0.00 1.34 0.00 0.00 72.50 69.52 3kr5 s THR 452 CO 0.31 0.50 -0.12 -0.63 -0.54 0.00 0.00 174.62 174.13 3kr5 s ILE 453 N -1.18 1.27 -0.25 2.99 1.01 0.15 -1.53 121.20 123.67 3kr5 s ILE 453 Ca 0.32 -0.50 -0.21 0.00 0.00 0.00 0.00 60.65 60.26 3kr5 s ILE 453 Cb -0.20 -1.19 -0.02 0.00 0.01 0.00 0.00 42.46 41.06 3kr5 s ILE 453 CO 0.21 0.40 0.67 -0.70 0.00 0.00 0.00 174.94 175.51 3kr5 s GLU 454 N 1.14 4.13 -0.43 2.79 2.12 -0.03 -0.54 118.70 127.87 3kr5 s GLU 454 Ca -0.05 0.63 -0.29 0.00 0.36 0.00 0.00 54.97 55.63 3kr5 s GLU 454 Cb -0.14 -3.65 0.03 0.00 0.26 0.00 0.00 34.13 30.63 3kr5 s GLU 454 CO -0.03 -0.43 1.12 0.08 -0.54 0.00 0.00 175.26 175.46 3kr5 s VAL 455 N 2.55 4.31 -0.20 3.70 1.01 0.88 -1.61 120.40 131.04 3kr5 s VAL 455 Ca 0.28 1.39 0.21 0.00 0.00 0.00 0.00 61.98 63.85 3kr5 s VAL 455 Cb -0.15 -4.54 -0.04 0.00 0.00 0.00 0.00 36.38 31.64 3kr5 s VAL 455 CO 0.08 -0.84 0.98 1.23 0.00 0.00 0.00 175.10 176.56 3kr5 h GLY 456 N 10.85 0.00 -5.36 4.51 0.00 -1.90 0.76 103.07 111.93 3kr5 h GLY 456 Ca -0.22 0.00 0.09 0.00 0.00 0.00 0.00 47.33 47.20 3kr5 h GLY 456 CO 1.10 0.00 -0.16 0.21 0.00 0.00 0.00 176.54 177.68 3kr5 s ASN 457 N -5.50 -1.21 0.17 0.19 3.84 -1.26 -4.75 114.94 106.42 3kr5 s ASN 457 Ca -0.01 1.31 0.18 0.00 0.21 0.00 0.00 52.86 54.55 3kr5 s ASN 457 Cb 0.09 2.23 0.82 0.00 -0.55 0.00 0.00 41.25 43.84 3kr5 s ASN 457 CO 0.80 -0.23 1.56 0.35 -2.79 0.00 0.00 177.10 176.79 3kr5 n THR 458 N 5.43 1.03 1.08 -5.21 -2.24 -1.26 -0.92 114.28 112.18 3kr5 n THR 458 Ca -0.08 0.35 0.13 0.00 -2.27 0.00 0.00 64.05 62.18 3kr5 n THR 458 Cb 0.50 -1.25 0.43 0.00 -2.10 0.00 0.00 70.33 67.90 3kr5 n THR 458 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3kr5 n ASP 459 N -1.97 0.37 -2.64 3.42 2.03 -0.84 -3.57 116.55 113.36 3kr5 n ASP 459 Ca 0.02 -0.11 -0.29 0.00 0.52 0.00 0.00 54.79 54.92 3kr5 n ASP 459 Cb 0.16 -0.04 -0.04 0.00 -0.72 0.00 0.00 41.12 40.48 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 -1.37 6.49 0.06 -1.67 0.00 -0.10 -4.66 120.51 119.26 3kr5 n ALA 460 Ca 0.08 -3.26 -0.07 0.00 0.00 0.00 0.00 53.44 50.19 3kr5 n ALA 460 Cb 0.33 -2.20 -0.12 0.00 0.00 0.00 0.00 19.45 17.46 3kr5 n ALA 460 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3kr5 h GLU 461 N 3.17 0.00 -0.01 0.00 9.09 -1.77 -3.36 114.58 121.70 3kr5 h GLU 461 Ca 0.44 0.00 0.03 0.00 0.05 0.00 0.00 59.36 59.88 3kr5 h GLU 461 Cb 0.62 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.66 3kr5 h GLU 461 CO 0.98 0.94 -0.42 0.78 0.05 0.00 0.00 179.01 181.35 3kr5 h GLY 462 N 3.06 -0.76 1.55 1.06 0.00 -1.92 -0.74 103.07 105.32 3kr5 h GLY 462 Ca -0.03 0.51 0.06 0.00 0.00 0.00 0.00 47.33 47.86 3kr5 h GLY 462 CO 0.12 -0.24 0.17 0.07 0.00 0.00 0.00 176.54 176.66 3kr5 h ARG 463 N -0.56 0.00 -0.14 4.80 0.11 -1.93 0.28 114.38 116.93 3kr5 h ARG 463 Ca 0.05 0.00 -0.10 0.00 0.10 0.00 0.00 59.98 60.03 3kr5 h ARG 463 Cb 0.65 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.73 3kr5 h ARG 463 CO -0.32 0.00 -0.29 -0.07 0.10 0.00 0.00 179.97 179.39 3kr5 h LEU 464 N 0.00 0.50 -0.64 0.08 3.38 -1.36 -0.28 115.31 116.99 3kr5 h LEU 464 Ca 0.10 -0.56 -0.11 0.00 0.09 0.00 0.00 57.88 57.40 3kr5 h LEU 464 Cb 0.43 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3kr5 h LEU 464 CO -0.00 0.97 -0.10 0.71 0.09 0.00 0.00 178.44 180.11 3kr5 h THR 465 N 0.06 1.27 -0.23 0.22 1.35 0.24 -3.04 112.91 112.78 3kr5 h THR 465 Ca 0.00 -1.24 -0.12 0.00 -0.55 0.00 0.00 66.41 64.51 3kr5 h THR 465 Cb 0.89 0.97 -0.01 0.00 -1.73 0.00 0.00 68.15 68.27 3kr5 h THR 465 CO 0.07 0.43 -0.36 -0.07 -0.25 0.00 0.00 175.52 175.34 3kr5 h LEU 466 N 0.86 0.52 -0.13 3.87 3.38 -0.51 -2.02 115.31 121.28 3kr5 h LEU 466 Ca 0.14 -0.21 0.05 0.00 0.09 0.00 0.00 57.88 57.94 3kr5 h LEU 466 Cb 0.65 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.19 3kr5 h LEU 466 CO 0.04 0.84 -0.28 0.00 0.09 0.00 0.00 178.44 179.13 3kr5 h ALA 467 N 1.19 -0.29 -0.50 1.53 0.00 -0.92 0.89 119.26 121.15 3kr5 h ALA 467 Ca 0.04 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3kr5 h ALA 467 Cb 0.83 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 3kr5 h ALA 467 CO 0.07 -0.75 0.12 -0.44 0.00 0.00 0.00 179.25 178.25 3kr5 h ASP 468 N -0.35 0.72 -0.41 0.00 3.32 -1.50 -1.30 116.42 116.89 3kr5 h ASP 468 Ca 0.10 -0.12 -0.07 0.00 0.02 0.00 0.00 57.03 56.96 3kr5 h ASP 468 Cb 0.50 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 3kr5 h ASP 468 CO -0.33 0.71 0.03 0.00 -1.72 0.00 0.00 179.24 177.93 3kr5 h ALA 469 N 1.38 1.13 -0.20 3.45 0.00 -0.46 -1.80 119.26 122.77 3kr5 h ALA 469 Ca 0.16 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.73 3kr5 h ALA 469 Cb 0.28 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3kr5 h ALA 469 CO -0.00 0.56 -0.26 -0.07 0.00 0.00 0.00 179.25 179.48 3kr5 h LEU 470 N 0.75 0.57 -0.51 0.00 3.38 0.14 -0.16 115.31 119.47 3kr5 h LEU 470 Ca 0.15 -0.51 0.05 0.00 0.09 0.00 0.00 57.88 57.67 3kr5 h LEU 470 Cb 0.41 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 3kr5 h LEU 470 CO 0.01 0.97 0.23 0.58 0.09 0.00 0.00 178.44 180.33 3kr5 h VAL 471 N 0.19 0.91 -0.16 1.22 2.07 -1.24 0.20 116.25 119.44 3kr5 h VAL 471 Ca 0.02 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.41 3kr5 h VAL 471 Cb 0.83 0.42 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 3kr5 h VAL 471 CO 0.06 0.08 0.03 0.22 0.02 0.00 0.00 177.57 177.98 3kr5 h TYR 472 N 0.45 0.05 -0.66 1.57 3.20 -1.20 -1.82 116.97 118.56 3kr5 h TYR 472 Ca 0.23 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.14 3kr5 h TYR 472 Cb 0.18 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.41 3kr5 h TYR 472 CO -0.12 0.02 0.41 0.00 -1.64 0.00 0.00 178.16 176.83 3kr5 h ALA 473 N 1.11 0.87 -0.06 1.82 0.00 -0.53 -2.07 119.26 120.41 3kr5 h ALA 473 Ca 0.07 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 3kr5 h ALA 473 Cb 0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3kr5 h ALA 473 CO -0.09 0.17 -0.43 1.49 0.00 0.00 0.00 179.25 180.38 3kr5 h GLU 474 N 0.80 0.12 0.00 0.00 4.81 -0.70 -0.91 114.58 118.71 3kr5 h GLU 474 Ca 0.27 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 3kr5 h GLU 474 Cb 0.03 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.41 3kr5 h GLU 474 CO -0.11 0.54 0.00 0.87 -0.73 0.00 0.00 179.01 179.58 3kr5 h LYS 475 N 0.10 0.00 0.00 1.92 1.57 -0.62 -1.59 116.57 117.96 3kr5 h LYS 475 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3kr5 h LYS 475 Cb 0.81 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.12 3kr5 h LYS 475 CO 0.06 0.00 0.00 -0.07 -0.57 0.00 0.00 179.45 178.87 3kr5 h LEU 476 N 0.00 0.00 -2.58 2.94 4.07 -0.92 -3.48 115.31 115.35 3kr5 h LEU 476 Ca 0.00 0.00 -0.17 0.00 0.08 0.00 0.00 57.88 57.79 3kr5 h LEU 476 Cb 0.31 0.00 0.13 0.00 1.08 0.00 0.00 40.66 42.18 3kr5 h LEU 476 CO 0.00 0.00 -0.58 0.61 -1.08 0.00 0.00 178.44 177.39 3kr5 n GLY 477 N 0.49 -0.48 3.97 0.83 0.00 -0.60 -5.04 105.19 104.36 3kr5 n GLY 477 Ca 0.03 0.29 -0.18 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.26 3.02 -0.02 1.61 -7.23 -1.26 -4.94 120.40 108.31 3kr5 s VAL 478 Ca 0.30 -1.11 0.03 0.00 -1.81 0.00 0.00 61.98 59.39 3kr5 s VAL 478 Cb -0.04 -3.04 -0.25 0.00 0.56 0.00 0.00 36.38 33.61 3kr5 s VAL 478 CO 0.50 -0.02 0.75 0.44 -0.31 0.00 0.00 175.10 176.46 3kr5 h ASP 479 N 0.79 0.22 -3.74 4.85 3.32 -0.70 -3.47 116.42 117.69 3kr5 h ASP 479 Ca -0.41 -0.37 -0.35 0.00 0.02 0.00 0.00 57.03 55.92 3kr5 h ASP 479 Cb 1.27 -0.07 -0.31 0.00 0.22 0.00 0.00 39.33 40.44 3kr5 h ASP 479 CO 0.49 1.32 -0.76 -0.31 -1.72 0.00 0.00 179.24 178.27 3kr5 s TYR 480 N -2.61 0.53 -0.17 4.55 2.02 -1.04 -3.82 117.35 116.81 3kr5 s TYR 480 Ca -0.09 -0.11 -0.01 0.00 -0.37 0.00 0.00 57.07 56.49 3kr5 s TYR 480 Cb 0.07 -0.42 -0.01 0.00 -0.40 0.00 0.00 41.96 41.21 3kr5 s TYR 480 CO 0.83 -0.07 -0.11 0.42 -1.57 0.00 0.00 175.55 175.04 3kr5 s ILE 481 N 0.30 3.00 -0.13 2.71 1.01 -0.57 -0.37 121.20 127.15 3kr5 s ILE 481 Ca -0.03 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 59.98 3kr5 s ILE 481 Cb -0.07 -2.30 0.02 0.00 0.01 0.00 0.00 42.46 40.12 3kr5 s ILE 481 CO -0.00 0.49 -0.16 -0.69 0.00 0.00 0.00 174.94 174.58 3kr5 s VAL 482 N 0.88 1.62 0.12 2.92 1.01 -0.12 -0.98 120.40 125.85 3kr5 s VAL 482 Ca -0.03 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.31 3kr5 s VAL 482 Cb -0.15 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 3kr5 s VAL 482 CO -0.00 0.47 0.02 1.51 0.00 0.00 0.00 175.10 177.10 3kr5 s ASP 483 N 1.17 5.05 -0.03 3.32 1.47 -0.16 0.01 116.67 127.50 3kr5 s ASP 483 Ca -0.02 -0.21 -0.01 0.00 1.18 0.00 0.00 52.55 53.49 3kr5 s ASP 483 Cb -0.14 -1.20 0.03 0.00 -0.34 0.00 0.00 42.92 41.27 3kr5 s ASP 483 CO -0.06 0.14 0.06 -0.51 0.68 0.00 0.00 175.17 175.49 3kr5 s ILE 484 N -1.46 -0.07 -0.15 2.11 2.07 0.89 -0.03 121.20 124.57 3kr5 s ILE 484 Ca 0.27 0.25 -0.22 0.00 -1.41 0.00 0.00 60.65 59.54 3kr5 s ILE 484 Cb -0.11 -0.13 0.05 0.00 0.13 0.00 0.00 42.46 42.41 3kr5 s ILE 484 CO 0.19 0.10 0.56 0.00 -1.91 0.00 0.00 174.94 173.88 3kr5 s ALA 485 N 1.31 -1.40 -1.18 1.50 0.00 -0.35 -1.06 121.76 120.58 3kr5 s ALA 485 Ca -0.06 1.36 -0.17 0.00 0.00 0.00 0.00 51.96 53.08 3kr5 s ALA 485 Cb -0.13 -0.59 0.11 0.00 0.00 0.00 0.00 23.12 22.52 3kr5 s ALA 485 CO -0.04 -0.29 1.52 0.95 0.00 0.00 0.00 175.76 177.90 3kr5 s THR 486 N -0.26 4.46 -0.24 0.00 -4.23 -1.26 0.06 115.64 114.18 3kr5 s THR 486 Ca -0.04 -1.94 -0.01 0.00 -1.18 0.00 0.00 61.69 58.52 3kr5 s THR 486 Cb -0.03 -5.03 -0.18 0.00 1.34 0.00 0.00 72.50 68.59 3kr5 s THR 486 CO 0.03 -1.82 -0.13 -0.11 -0.54 0.00 0.00 174.62 172.06 3kr5 n LEU 487 N 7.35 2.84 -3.77 4.79 7.94 -1.26 -4.76 117.00 130.12 3kr5 n LEU 487 Ca 0.39 -0.04 -0.17 0.00 -1.11 0.00 0.00 56.01 55.09 3kr5 n LEU 487 Cb 0.46 -0.94 -0.16 0.00 0.53 0.00 0.00 43.42 43.30 3kr5 n LEU 487 CO 0.67 0.89 -0.36 0.42 -1.11 0.00 0.00 177.39 177.91 3kr5 s THR 488 N -2.52 0.03 0.54 1.96 -4.23 -1.26 -4.94 115.64 105.22 3kr5 s THR 488 Ca -0.33 0.21 0.22 0.00 -1.18 0.00 0.00 61.69 60.60 3kr5 s THR 488 Cb 0.09 -0.18 0.30 0.00 1.34 0.00 0.00 72.50 74.05 3kr5 s THR 488 CO 0.62 0.13 2.18 1.23 -0.54 0.00 0.00 174.62 178.24 3kr5 h GLY 489 N 7.52 0.00 1.36 3.99 0.00 -1.93 -1.97 103.07 112.04 3kr5 h GLY 489 Ca -0.38 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.95 3kr5 h GLY 489 CO 0.41 0.00 0.32 0.00 0.00 0.00 0.00 176.54 177.27 3kr5 h ALA 490 N 1.98 1.33 -0.55 3.60 0.00 -1.96 -1.20 119.26 122.47 3kr5 h ALA 490 Ca -0.00 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.94 3kr5 h ALA 490 Cb 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3kr5 h ALA 490 CO 0.00 -0.32 0.37 0.52 0.00 0.00 0.00 179.25 179.82 3kr5 h MET 491 N 0.00 0.61 0.00 0.00 2.86 -1.74 0.17 114.93 116.83 3kr5 h MET 491 Ca 0.00 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.58 3kr5 h MET 491 Cb 0.64 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 32.16 3kr5 h MET 491 CO -0.00 0.40 -0.11 -0.07 1.06 0.00 0.00 176.91 178.19 3kr5 h LEU 492 N 0.63 0.00 0.00 1.22 3.38 -1.41 0.16 115.31 119.28 3kr5 h LEU 492 Ca 0.22 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.11 3kr5 h LEU 492 Cb 0.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3kr5 h LEU 492 CO -0.06 0.11 -1.39 -1.22 0.09 0.00 0.00 178.44 175.97 3kr5 n TYR 493 N -3.94 0.78 -0.04 1.13 4.02 0.43 -3.57 117.16 115.98 3kr5 n TYR 493 Ca -0.02 0.24 -0.03 0.00 -0.01 0.00 0.00 57.90 58.08 3kr5 n TYR 493 Cb 0.20 -0.94 -0.01 0.00 -0.02 0.00 0.00 39.34 38.57 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 -2.70 0.90 -0.01 7.72 3.41 -0.17 -4.80 113.62 117.98 3kr5 n SER 494 Ca -0.06 0.36 0.07 0.00 -0.26 0.00 0.00 58.87 58.98 3kr5 n SER 494 Cb 0.70 -0.66 -0.13 0.00 -0.26 0.00 0.00 64.21 63.85 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 -3.42 0.00 0.00 1.04 4.77 0.26 -5.09 117.00 114.56 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 0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3kr5 n LEU 495 CO 0.07 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.77 3kr5 n GLY 496 N 1.57 -0.11 0.35 -0.72 0.00 0.29 -4.24 105.19 102.34 3kr5 n GLY 496 Ca -0.05 -1.45 0.11 0.00 0.00 0.00 0.00 46.02 44.62 3kr5 n GLY 496 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kr5 n THR 497 N 0.00 0.00 -0.11 2.61 -2.24 -1.25 -4.21 114.28 109.07 3kr5 n THR 497 Ca 0.00 -0.18 -0.14 0.00 -2.27 0.00 0.00 64.05 61.45 3kr5 n THR 497 Cb 0.00 1.04 -0.12 0.00 -2.10 0.00 0.00 70.33 69.16 3kr5 n THR 497 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3kr5 n SER 498 N -0.44 1.80 -4.37 3.42 7.64 -1.26 -4.28 113.62 116.14 3kr5 n SER 498 Ca 0.09 -0.10 -0.33 0.00 1.01 0.00 0.00 58.87 59.54 3kr5 n SER 498 Cb 0.42 -0.06 -0.14 0.00 -1.01 0.00 0.00 64.21 63.42 3kr5 n SER 498 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3kr5 s TYR 499 N -2.46 2.86 0.61 1.43 4.12 -1.26 -4.44 117.35 118.22 3kr5 s TYR 499 Ca -0.26 -0.66 -0.11 0.00 0.02 0.00 0.00 57.07 56.05 3kr5 s TYR 499 Cb 0.07 -1.90 -0.04 0.00 -1.52 0.00 0.00 41.96 38.57 3kr5 s TYR 499 CO 0.58 -0.25 1.03 0.00 0.02 0.00 0.00 175.55 176.93 3kr5 s ALA 500 N 0.54 3.09 -0.02 3.71 0.00 -0.45 -4.55 121.76 124.08 3kr5 s ALA 500 Ca -0.07 -0.06 -0.07 0.00 0.00 0.00 0.00 51.96 51.75 3kr5 s ALA 500 Cb -0.15 -3.09 -0.05 0.00 0.00 0.00 0.00 23.12 19.83 3kr5 s ALA 500 CO 0.03 -0.67 0.26 0.20 0.00 0.00 0.00 175.76 175.58 3kr5 s GLY 501 N -4.08 2.26 -0.08 0.00 0.00 -1.00 -0.42 107.32 103.99 3kr5 s GLY 501 Ca 0.55 -0.55 0.03 0.00 0.00 0.00 0.00 44.72 44.75 3kr5 s GLY 501 CO 0.52 -0.34 -0.18 0.54 0.00 0.00 0.00 173.10 173.64 3kr5 s VAL 502 N -1.22 1.61 0.26 1.40 0.11 0.55 -0.57 120.40 122.53 3kr5 s VAL 502 Ca 0.25 -0.76 0.08 0.00 -2.93 0.00 0.00 61.98 58.61 3kr5 s VAL 502 Cb -0.13 -1.41 -0.05 0.00 -1.53 0.00 0.00 36.38 33.25 3kr5 s VAL 502 CO 0.13 0.46 -0.11 -0.36 -3.33 0.00 0.00 175.10 171.90 3kr5 s PHE 503 N 0.43 1.95 0.00 1.54 0.08 -0.18 -0.00 117.98 121.80 3kr5 s PHE 503 Ca -0.15 -0.60 0.00 0.00 0.12 0.00 0.00 56.93 56.30 3kr5 s PHE 503 Cb -0.16 -1.01 0.00 0.00 -0.57 0.00 0.00 43.02 41.27 3kr5 s PHE 503 CO 0.06 0.38 0.00 0.41 -0.10 0.00 0.00 175.22 175.97 3kr5 n GLY 504 N -0.54 -0.23 0.81 4.36 0.00 -1.26 0.56 105.19 108.88 3kr5 n GLY 504 Ca -0.06 -0.95 0.08 0.00 0.00 0.00 0.00 46.02 45.09 3kr5 n GLY 504 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3kr5 n ASN 505 N 0.00 3.02 -3.63 1.61 0.23 -0.37 -4.79 115.26 111.32 3kr5 n ASN 505 Ca 0.00 -1.91 -0.14 0.00 -0.53 0.00 0.00 54.58 52.01 3kr5 n ASN 505 Cb 0.00 -0.24 -0.13 0.00 -2.08 0.00 0.00 39.78 37.33 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 -1.06 0.42 0.15 0.53 3.84 -1.26 -4.85 114.94 112.72 3kr5 s ASN 506 Ca 0.28 0.51 -0.13 0.00 0.21 0.00 0.00 52.86 53.74 3kr5 s ASN 506 Cb 0.15 0.72 0.03 0.00 -0.55 0.00 0.00 41.25 41.60 3kr5 s ASN 506 CO 0.21 -0.25 1.64 -0.33 -2.79 0.00 0.00 177.10 175.57 3kr5 h GLU 507 N 8.28 0.83 -0.65 0.43 5.08 -1.96 -1.84 114.58 124.76 3kr5 h GLU 507 Ca -0.15 -0.23 0.05 0.00 -1.00 0.00 0.00 59.36 58.04 3kr5 h GLU 507 Cb 1.12 -0.10 -0.05 0.00 0.50 0.00 0.00 28.75 30.22 3kr5 h GLU 507 CO 0.15 0.83 0.37 0.93 -1.00 0.00 0.00 179.01 180.30 3kr5 h GLU 508 N 0.71 0.68 -0.40 2.33 3.07 -1.99 -0.39 114.58 118.60 3kr5 h GLU 508 Ca 0.15 -0.04 -0.04 0.00 -0.50 0.00 0.00 59.36 58.93 3kr5 h GLU 508 Cb 0.40 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.14 3kr5 h GLU 508 CO 0.01 0.45 0.09 1.25 -1.40 0.00 0.00 179.01 179.41 3kr5 h LEU 509 N 0.70 0.61 -0.32 1.33 5.85 -1.91 -1.35 115.31 120.23 3kr5 h LEU 509 Ca 0.28 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.79 3kr5 h LEU 509 Cb 0.14 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 3kr5 h LEU 509 CO -0.16 0.69 0.15 0.40 -0.34 0.00 0.00 178.44 179.19 3kr5 h ILE 510 N 0.50 0.98 -0.89 4.05 2.04 -0.92 -0.89 117.51 122.38 3kr5 h ILE 510 Ca 0.12 -0.11 0.04 0.00 1.00 0.00 0.00 64.86 65.92 3kr5 h ILE 510 Cb 0.33 0.63 -0.05 0.00 -0.74 0.00 0.00 36.82 36.98 3kr5 h ILE 510 CO 0.00 0.06 0.58 0.78 0.00 0.00 0.00 178.15 179.58 3kr5 h ASN 511 N 0.32 0.94 -0.61 1.72 2.35 -0.86 0.11 115.58 119.55 3kr5 h ASN 511 Ca 0.13 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 3kr5 h ASN 511 Cb 0.05 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.18 3kr5 h ASN 511 CO -0.10 0.64 0.30 0.11 -1.65 0.00 0.00 177.43 176.73 3kr5 h LYS 512 N 1.09 0.88 -0.75 0.81 1.57 -0.46 0.44 116.57 120.15 3kr5 h LYS 512 Ca 0.36 -0.13 -0.04 0.00 -1.87 0.00 0.00 60.65 58.98 3kr5 h LYS 512 Cb 0.07 -0.16 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 3kr5 h LYS 512 CO -0.12 0.71 0.33 0.82 -0.57 0.00 0.00 179.45 180.62 3kr5 h ILE 513 N 0.84 1.25 -0.47 1.86 1.08 0.20 0.24 117.51 122.51 3kr5 h ILE 513 Ca 0.21 -0.75 -0.12 0.00 -0.39 0.00 0.00 64.86 63.81 3kr5 h ILE 513 Cb 0.11 0.34 -0.02 0.00 -3.07 0.00 0.00 36.82 34.19 3kr5 h ILE 513 CO -0.03 0.31 -0.18 -0.07 -0.69 0.00 0.00 178.15 177.49 3kr5 h LEU 514 N 1.07 0.94 -0.97 1.44 3.38 -0.13 0.41 115.31 121.45 3kr5 h LEU 514 Ca 0.25 -0.33 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 3kr5 h LEU 514 Cb 0.17 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3kr5 h LEU 514 CO -0.03 1.10 -0.06 -0.61 0.09 0.00 0.00 178.44 178.93 3kr5 h GLN 515 N 0.81 0.67 -0.19 1.13 5.75 0.27 -1.14 115.11 122.42 3kr5 h GLN 515 Ca 0.12 -0.19 -0.11 0.00 -0.15 0.00 0.00 58.65 58.32 3kr5 h GLN 515 Cb 0.73 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.19 3kr5 h GLN 515 CO 0.06 0.73 -0.34 0.77 -2.65 0.00 0.00 178.83 177.40 3kr5 h SER 516 N 0.62 0.41 -0.08 -0.69 0.02 0.08 -1.98 113.55 111.93 3kr5 h SER 516 Ca 0.12 -0.16 0.01 0.00 -0.84 0.00 0.00 61.79 60.92 3kr5 h SER 516 Cb 0.49 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.90 3kr5 h SER 516 CO 0.03 0.72 0.01 -1.28 -1.14 0.00 0.00 176.83 175.17 3kr5 h SER 517 N 0.34 -0.02 -0.54 3.07 0.87 0.41 -0.15 113.55 117.53 3kr5 h SER 517 Ca 0.04 0.01 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 3kr5 h SER 517 Cb 0.76 0.02 -0.03 0.00 -0.44 0.00 0.00 62.40 62.72 3kr5 h SER 517 CO 0.06 0.00 0.35 0.50 -0.53 0.00 0.00 176.83 177.22 3kr5 h LYS 518 N 0.03 0.72 0.00 2.24 3.64 -0.93 0.69 116.57 122.97 3kr5 h LYS 518 Ca 0.03 -0.05 -0.17 0.00 -1.27 0.00 0.00 60.65 59.20 3kr5 h LYS 518 Cb 0.04 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 3kr5 h LYS 518 CO -0.05 0.48 -0.85 1.79 -2.27 0.00 0.00 179.45 178.55 3kr5 h THR 519 N 0.73 1.25 0.00 1.00 1.35 -1.26 -3.14 112.91 112.84 3kr5 h THR 519 Ca 0.20 -2.80 0.00 0.00 -0.55 0.00 0.00 66.41 63.25 3kr5 h THR 519 Cb -0.08 2.61 0.00 0.00 -1.73 0.00 0.00 68.15 68.95 3kr5 h THR 519 CO -0.04 0.71 -0.58 0.77 -0.25 0.00 0.00 175.52 176.13 3kr5 h SER 520 N 0.00 0.00 -2.30 5.36 4.64 -0.92 -3.47 113.55 116.87 3kr5 h SER 520 Ca -0.03 -0.03 -0.36 0.00 -0.47 0.00 0.00 61.79 60.90 3kr5 h SER 520 Cb 1.61 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.66 3kr5 h SER 520 CO 0.10 0.02 -0.44 0.59 -0.87 0.00 0.00 176.83 176.22 3kr5 n ASN 521 N -2.69 -5.18 -4.27 4.97 3.02 0.22 -4.84 115.26 106.50 3kr5 n ASN 521 Ca 0.02 0.05 -0.42 0.00 -0.03 0.00 0.00 54.58 54.20 3kr5 n ASN 521 Cb 0.52 -4.25 -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 -4.69 2.66 0.18 3.52 2.02 -1.14 -4.97 118.70 116.28 3kr5 s GLU 522 Ca 0.00 -1.59 -0.31 0.00 0.02 0.00 0.00 54.97 53.09 3kr5 s GLU 522 Cb 0.00 -3.95 -0.10 0.00 0.10 0.00 0.00 34.13 30.18 3kr5 s GLU 522 CO 0.00 -1.10 1.54 -2.14 0.02 0.00 0.00 175.26 173.58 3kr5 s PRO 523 N 1.46 4.23 0.01 0.39 0.02 -1.26 -4.54 135.00 135.30 3kr5 s PRO 523 Ca 0.04 2.34 0.02 0.00 0.02 0.00 0.00 61.00 63.43 3kr5 s PRO 523 Cb -0.25 -3.15 -0.01 0.00 0.02 0.00 0.00 34.50 31.11 3kr5 s PRO 523 CO 0.02 -0.57 -0.07 0.08 -0.33 0.00 0.00 177.00 176.13 3kr5 s VAL 524 N 0.93 0.56 -0.02 3.83 1.01 -1.26 -1.34 120.40 124.11 3kr5 s VAL 524 Ca 0.68 -0.49 0.07 0.00 0.00 0.00 0.00 61.98 62.24 3kr5 s VAL 524 Cb -0.43 -0.51 -0.02 0.00 0.00 0.00 0.00 36.38 35.42 3kr5 s VAL 524 CO 0.33 0.03 -0.22 0.86 0.00 0.00 0.00 175.10 176.11 3kr5 s TRP 525 N -0.44 1.95 -0.14 5.22 -0.11 0.44 -4.90 118.94 120.96 3kr5 s TRP 525 Ca -0.00 -0.38 -0.29 0.00 1.22 0.00 0.00 56.10 56.65 3kr5 s TRP 525 Cb -0.04 -1.26 -0.01 0.00 -1.50 0.00 0.00 33.47 30.65 3kr5 s TRP 525 CO -0.00 -0.04 1.11 -0.46 -4.62 0.00 0.00 176.95 172.94 3kr5 s TRP 526 N -0.49 3.26 0.13 5.86 -0.00 -1.26 -0.33 118.94 126.10 3kr5 s TRP 526 Ca 0.08 1.35 0.10 0.00 -0.00 0.00 0.00 56.10 57.63 3kr5 s TRP 526 Cb -0.09 -3.33 -0.04 0.00 -0.00 0.00 0.00 33.47 30.01 3kr5 s TRP 526 CO -0.01 -0.85 -0.22 -0.51 -0.00 0.00 0.00 176.95 175.37 3kr5 s LEU 527 N 2.65 2.55 0.30 5.86 1.43 1.00 -4.90 118.68 127.57 3kr5 s LEU 527 Ca 0.50 -0.64 -0.22 0.00 -1.03 0.00 0.00 54.13 52.74 3kr5 s LEU 527 Cb -0.20 -1.41 -0.09 0.00 0.03 0.00 0.00 46.19 44.52 3kr5 s LEU 527 CO 0.15 0.18 0.84 -2.16 0.23 0.00 0.00 176.35 175.59 3kr5 s PRO 528 N -2.14 4.35 -0.55 1.29 0.04 -1.26 -4.26 135.00 132.47 3kr5 s PRO 528 Ca 0.17 1.06 -0.19 0.00 0.04 0.00 0.00 61.00 62.07 3kr5 s PRO 528 Cb -0.10 -2.71 0.08 0.00 0.04 0.00 0.00 34.50 31.80 3kr5 s PRO 528 CO 0.09 0.27 0.67 0.42 0.04 0.00 0.00 177.00 178.49 3kr5 s ILE 529 N -1.69 4.83 -0.41 0.56 1.01 -1.26 -4.79 121.20 119.44 3kr5 s ILE 529 Ca 0.49 -0.70 -0.26 0.00 0.00 0.00 0.00 60.65 60.18 3kr5 s ILE 529 Cb -0.16 -4.39 0.02 0.00 0.01 0.00 0.00 42.46 37.94 3kr5 s ILE 529 CO 0.21 -0.97 0.97 -0.63 0.00 0.00 0.00 174.94 174.52 3kr5 s ILE 530 N 2.71 4.49 0.32 2.92 1.01 -1.26 -4.91 121.20 126.48 3kr5 s ILE 530 Ca 0.14 1.08 0.22 0.00 0.00 0.00 0.00 60.65 62.09 3kr5 s ILE 530 Cb -0.21 -4.41 0.21 0.00 0.01 0.00 0.00 42.46 38.06 3kr5 s ILE 530 CO 0.09 -0.70 1.92 0.78 0.00 0.00 0.00 174.94 177.03 3kr5 h ASN 531 N 8.76 0.00 -0.74 3.58 2.35 -1.99 -2.50 115.58 125.04 3kr5 h ASN 531 Ca -0.23 0.00 0.20 0.00 -0.55 0.00 0.00 56.30 55.72 3kr5 h ASN 531 Cb 1.07 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.41 3kr5 h ASN 531 CO 1.02 0.23 0.52 -0.08 -1.65 0.00 0.00 177.43 177.48 3kr5 h GLU 532 N 0.00 0.10 0.00 0.81 4.81 -2.04 0.17 114.58 118.43 3kr5 h GLU 532 Ca -0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 3kr5 h GLU 532 Cb 0.56 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.92 3kr5 h GLU 532 CO 0.03 0.06 -0.12 0.66 -0.73 0.00 0.00 179.01 178.92 3kr5 n TYR 533 N -4.37 0.57 -0.34 0.92 0.53 -0.94 -3.87 117.16 109.67 3kr5 n TYR 533 Ca 0.15 0.17 0.16 0.00 -1.02 0.00 0.00 57.90 57.36 3kr5 n TYR 533 Cb 0.75 -0.74 0.38 0.00 -1.03 0.00 0.00 39.34 38.69 3kr5 n TYR 533 CO 0.00 0.00 0.00 -0.09 -1.02 0.00 0.00 176.86 175.75 3kr5 h ARG 534 N 0.00 0.62 0.00 -0.72 9.65 -0.80 -1.17 114.38 121.96 3kr5 h ARG 534 Ca 0.00 -0.04 -0.01 0.00 -1.10 0.00 0.00 59.98 58.84 3kr5 h ARG 534 Cb 0.66 -0.14 -0.00 0.00 -1.39 0.00 0.00 29.97 29.10 3kr5 h ARG 534 CO 0.00 0.41 -0.03 0.00 2.80 0.00 0.00 179.97 183.15 3kr5 h ALA 535 N 1.67 1.72 0.00 2.80 0.00 -1.76 -0.20 119.26 123.50 3kr5 h ALA 535 Ca 0.60 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.48 3kr5 h ALA 535 Cb 1.11 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3kr5 h ALA 535 CO -0.39 0.03 0.00 0.25 0.00 0.00 0.00 179.25 179.14 3kr5 n THR 536 N -4.17 0.21 0.54 0.00 -2.24 -0.44 -1.56 114.28 106.62 3kr5 n THR 536 Ca -0.03 0.05 0.11 0.00 -2.27 0.00 0.00 64.05 61.92 3kr5 n THR 536 Cb 0.11 -0.69 0.25 0.00 -2.10 0.00 0.00 70.33 67.90 3kr5 n THR 536 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3kr5 n LEU 537 N -1.18 3.00 -4.56 3.22 4.77 -0.09 -4.19 117.00 117.97 3kr5 n LEU 537 Ca 0.13 -1.29 -0.40 0.00 -0.03 0.00 0.00 56.01 54.41 3kr5 n LEU 537 Cb 0.14 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 40.98 3kr5 n LEU 537 CO 0.15 0.64 1.41 0.20 -1.33 0.00 0.00 177.39 178.47 3kr5 s ASN 538 N -1.49 5.75 0.46 -1.43 0.01 -0.60 0.88 114.94 118.52 3kr5 s ASN 538 Ca 0.37 0.26 -0.20 0.00 -0.71 0.00 0.00 52.86 52.58 3kr5 s ASN 538 Cb 0.21 -2.54 -0.10 0.00 0.41 0.00 0.00 41.25 39.24 3kr5 s ASN 538 CO 0.30 -2.01 0.98 -0.55 -1.51 0.00 0.00 177.10 174.31 3kr5 s SER 539 N 5.99 6.71 0.17 -1.22 0.15 -1.26 -4.82 113.70 119.41 3kr5 s SER 539 Ca 0.58 1.75 0.07 0.00 0.70 0.00 0.00 55.95 59.05 3kr5 s SER 539 Cb -0.12 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.62 3kr5 s SER 539 CO 0.22 -0.52 1.38 0.50 1.20 0.00 0.00 173.24 176.02 3kr5 h LYS 540 N 1.67 0.03 0.00 5.44 1.63 -1.96 -3.39 116.57 119.98 3kr5 h LYS 540 Ca -0.49 -0.04 -0.16 0.00 -0.85 0.00 0.00 60.65 59.12 3kr5 h LYS 540 Cb 1.19 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.81 3kr5 h LYS 540 CO 0.60 0.89 -1.58 0.66 -3.45 0.00 0.00 179.45 176.57 3kr5 n TYR 541 N -3.52 0.00 -2.60 1.91 4.01 -1.26 -5.05 117.16 110.65 3kr5 n TYR 541 Ca -0.01 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.50 3kr5 n TYR 541 Cb 0.83 -0.39 0.10 0.00 -0.31 0.00 0.00 39.34 39.58 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 -2.20 3.75 0.33 -0.72 0.00 -1.26 -4.98 121.76 116.67 3kr5 s ALA 542 Ca -0.14 -1.70 0.06 0.00 0.00 0.00 0.00 51.96 50.18 3kr5 s ALA 542 Cb 0.04 -2.00 0.57 0.00 0.00 0.00 0.00 23.12 21.73 3kr5 s ALA 542 CO 0.22 -1.37 1.79 -0.44 0.00 0.00 0.00 175.76 175.96 3kr5 h ASP 543 N -0.45 0.32 -4.88 0.00 3.32 -1.60 -3.38 116.42 109.74 3kr5 h ASP 543 Ca -0.37 -0.10 -0.08 0.00 0.02 0.00 0.00 57.03 56.51 3kr5 h ASP 543 Cb 1.27 -0.09 -0.20 0.00 0.22 0.00 0.00 39.33 40.54 3kr5 h ASP 543 CO 0.42 0.57 0.05 -0.51 -1.72 0.00 0.00 179.24 178.05 3kr5 s ILE 544 N -4.49 0.01 0.28 0.35 2.07 -0.68 -4.47 121.20 114.26 3kr5 s ILE 544 Ca -0.06 -0.12 -0.18 0.00 -1.41 0.00 0.00 60.65 58.88 3kr5 s ILE 544 Cb 0.14 -0.89 -0.09 0.00 0.13 0.00 0.00 42.46 41.76 3kr5 s ILE 544 CO 0.76 -0.07 0.75 0.20 -1.91 0.00 0.00 174.94 174.68 3kr5 s ASN 545 N -1.05 6.96 0.03 4.50 0.01 0.25 -0.86 114.94 124.78 3kr5 s ASN 545 Ca -0.10 1.40 -0.18 0.00 -0.71 0.00 0.00 52.86 53.27 3kr5 s ASN 545 Cb -0.02 -2.42 -0.23 0.00 0.41 0.00 0.00 41.25 39.00 3kr5 s ASN 545 CO 0.08 -0.09 1.14 -0.61 -1.51 0.00 0.00 177.10 176.11 3kr5 h GLN 546 N 2.87 0.52 -5.99 -0.60 4.15 -1.61 -3.46 115.11 110.98 3kr5 h GLN 546 Ca -0.48 -0.55 -0.54 0.00 0.77 0.00 0.00 58.65 57.86 3kr5 h GLN 546 Cb 1.18 0.15 -0.17 0.00 0.21 0.00 0.00 27.48 28.85 3kr5 h GLN 546 CO 0.65 1.18 -0.78 0.96 -1.93 0.00 0.00 178.83 178.91 3kr5 s ILE 547 N -3.29 1.91 0.48 2.39 -4.36 -1.26 -4.89 121.20 112.18 3kr5 s ILE 547 Ca -0.12 -1.99 -0.21 0.00 -0.26 0.00 0.00 60.65 58.07 3kr5 s ILE 547 Cb 0.05 -1.92 -0.08 0.00 1.25 0.00 0.00 42.46 41.76 3kr5 s ILE 547 CO 0.86 -0.32 1.10 -0.55 0.24 0.00 0.00 174.94 176.26 3kr5 s SER 548 N -2.78 6.19 -0.15 4.36 0.15 -1.26 -4.79 113.70 115.42 3kr5 s SER 548 Ca 0.18 2.10 -0.17 0.00 0.70 0.00 0.00 55.95 58.76 3kr5 s SER 548 Cb -0.05 -2.58 -0.24 0.00 -1.71 0.00 0.00 66.02 61.44 3kr5 s SER 548 CO 0.07 -0.89 0.38 0.77 1.20 0.00 0.00 173.24 174.78 3kr5 h SER 549 N 1.72 0.21 0.00 5.45 4.64 -2.01 -3.43 113.55 120.14 3kr5 h SER 549 Ca -0.49 -0.74 -0.03 0.00 -0.47 0.00 0.00 61.79 60.05 3kr5 h SER 549 Cb 1.24 -0.07 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3kr5 h SER 549 CO 0.59 1.59 -0.34 0.77 -0.87 0.00 0.00 176.83 178.57 3kr5 h SER 550 N -0.54 0.00 -2.60 4.97 4.64 -1.94 -3.47 113.55 114.61 3kr5 h SER 550 Ca -0.34 -0.21 -0.55 0.00 -0.47 0.00 0.00 61.79 60.23 3kr5 h SER 550 Cb 1.60 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.69 3kr5 h SER 550 CO -0.05 0.79 1.09 -0.69 -0.87 0.00 0.00 176.83 177.10 3kr5 s VAL 551 N -1.99 3.52 -2.03 0.95 1.01 -1.26 -4.89 120.40 115.71 3kr5 s VAL 551 Ca -0.12 0.64 0.29 0.00 0.00 0.00 0.00 61.98 62.80 3kr5 s VAL 551 Cb 0.01 -3.42 0.61 0.00 0.00 0.00 0.00 36.38 33.58 3kr5 s VAL 551 CO 0.25 -0.05 1.92 0.29 0.00 0.00 0.00 175.10 177.50 3kr5 n LYS 552 N 7.08 1.10 -1.90 2.72 5.02 -1.26 -4.49 118.16 126.43 3kr5 n LYS 552 Ca 0.17 -0.41 -0.42 0.00 -2.02 0.00 0.00 58.31 55.64 3kr5 n LYS 552 Cb 0.43 -1.49 -0.00 0.00 -0.02 0.00 0.00 35.03 33.94 3kr5 n LYS 552 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kr5 n ALA 553 N -0.59 5.73 0.21 7.82 0.00 -1.26 -4.77 120.51 127.65 3kr5 n ALA 553 Ca 0.19 -4.00 0.08 0.00 0.00 0.00 0.00 53.44 49.71 3kr5 n ALA 553 Cb 0.26 -3.30 0.45 0.00 0.00 0.00 0.00 19.45 16.86 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 5.75 0.00 -0.47 0.00 4.64 -1.98 -0.13 113.55 121.36 3kr5 h SER 554 Ca 0.55 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.76 3kr5 h SER 554 Cb 0.59 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.66 3kr5 h SER 554 CO 1.78 0.27 -0.09 0.28 -0.87 0.00 0.00 176.83 178.19 3kr5 h SER 555 N 0.00 0.93 -0.13 4.97 0.02 -1.94 0.21 113.55 117.61 3kr5 h SER 555 Ca -0.00 -0.29 -0.11 0.00 -0.84 0.00 0.00 61.79 60.55 3kr5 h SER 555 Cb 0.73 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.02 3kr5 h SER 555 CO 0.03 1.04 -0.36 0.40 -1.14 0.00 0.00 176.83 176.81 3kr5 h ILE 556 N 0.84 1.37 -0.57 3.27 2.04 -1.67 -2.14 117.51 120.65 3kr5 h ILE 556 Ca 0.14 -1.65 -0.04 0.00 1.00 0.00 0.00 64.86 64.31 3kr5 h ILE 556 Cb 0.62 2.07 -0.02 0.00 -0.74 0.00 0.00 36.82 38.75 3kr5 h ILE 556 CO 0.04 0.49 0.18 0.58 0.00 0.00 0.00 178.15 179.45 3kr5 h VAL 557 N 0.08 1.24 -0.95 1.67 2.07 -0.87 0.14 116.25 119.63 3kr5 h VAL 557 Ca -0.01 -0.80 0.02 0.00 0.82 0.00 0.00 66.70 66.74 3kr5 h VAL 557 Cb 0.97 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 31.36 3kr5 h VAL 557 CO 0.08 0.30 0.63 0.00 0.02 0.00 0.00 177.57 178.59 3kr5 h ALA 558 N 1.05 1.23 -0.42 1.67 0.00 -0.60 0.27 119.26 122.46 3kr5 h ALA 558 Ca 0.19 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3kr5 h ALA 558 Cb 0.28 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3kr5 h ALA 558 CO -0.01 0.55 0.16 0.77 0.00 0.00 0.00 179.25 180.72 3kr5 h SER 559 N 1.25 0.59 -0.65 0.00 0.02 -0.60 0.55 113.55 114.70 3kr5 h SER 559 Ca 0.36 -0.18 0.07 0.00 -0.84 0.00 0.00 61.79 61.20 3kr5 h SER 559 Cb -0.07 -0.15 -0.06 0.00 0.14 0.00 0.00 62.40 62.25 3kr5 h SER 559 CO -0.10 0.61 0.33 -0.07 -1.14 0.00 0.00 176.83 176.46 3kr5 h LEU 560 N 0.53 0.47 -0.14 5.07 3.38 -0.17 0.39 115.31 124.83 3kr5 h LEU 560 Ca 0.14 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3kr5 h LEU 560 Cb 0.21 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 3kr5 h LEU 560 CO -0.01 0.29 0.09 0.15 0.09 0.00 0.00 178.44 179.05 3kr5 h PHE 561 N 0.61 0.18 -0.65 1.13 3.04 -0.51 -2.90 116.94 117.85 3kr5 h PHE 561 Ca 0.30 0.00 -0.06 0.00 3.98 0.00 0.00 57.97 62.19 3kr5 h PHE 561 Cb 0.25 -0.06 -0.03 0.00 2.56 0.00 0.00 35.95 38.67 3kr5 h PHE 561 CO -0.10 0.14 0.17 -0.07 -2.02 0.00 0.00 178.31 176.43 3kr5 h LEU 562 N 0.17 0.97 -1.75 0.59 3.38 -0.22 -2.69 115.31 115.75 3kr5 h LEU 562 Ca 0.05 -0.23 0.24 0.00 0.09 0.00 0.00 57.88 58.04 3kr5 h LEU 562 Cb 0.01 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.45 3kr5 h LEU 562 CO -0.01 0.94 0.63 0.50 0.09 0.00 0.00 178.44 180.60 3kr5 h LYS 563 N 0.95 0.18 0.00 1.13 3.64 -0.74 0.38 116.57 122.11 3kr5 h LYS 563 Ca 0.20 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 3kr5 h LYS 563 Cb 0.34 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.12 3kr5 h LYS 563 CO -0.00 0.12 0.00 0.39 -2.27 0.00 0.00 179.45 177.69 3kr5 n GLU 564 N -4.39 0.03 -0.11 1.90 -0.58 -1.01 -2.29 120.64 114.18 3kr5 n GLU 564 Ca 0.20 0.35 0.07 0.00 -0.42 0.00 0.00 57.16 57.36 3kr5 n GLU 564 Cb 0.86 -1.57 0.13 0.00 -0.57 0.00 0.00 31.44 30.29 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 -1.64 0.29 -4.05 -0.32 3.01 0.13 -4.77 117.46 110.11 3kr5 n PHE 565 Ca 0.02 -0.24 -0.32 0.00 1.01 0.00 0.00 57.45 57.92 3kr5 n PHE 565 Cb 0.13 -0.01 -0.15 0.00 -0.01 0.00 0.00 39.48 39.44 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 -1.11 2.28 -0.05 -4.37 1.01 -0.97 -3.65 120.40 113.54 3kr5 s VAL 566 Ca 0.23 -1.59 -0.23 0.00 0.00 0.00 0.00 61.98 60.39 3kr5 s VAL 566 Cb 0.14 -2.33 -0.26 0.00 0.00 0.00 0.00 36.38 33.93 3kr5 s VAL 566 CO 0.19 -0.03 0.98 -0.61 0.00 0.00 0.00 175.10 175.64 3kr5 h GLN 567 N 7.80 0.24 -0.01 2.72 4.15 -1.86 -3.44 115.11 124.71 3kr5 h GLN 567 Ca -0.20 -0.31 -0.16 0.00 0.77 0.00 0.00 58.65 58.76 3kr5 h GLN 567 Cb 1.05 0.10 -0.24 0.00 0.21 0.00 0.00 27.48 28.59 3kr5 h GLN 567 CO 0.47 1.06 -0.61 -1.71 -1.93 0.00 0.00 178.83 176.11 3kr5 n ASN 568 N -4.35 -0.14 -4.15 -0.69 5.15 -1.26 -5.10 115.26 104.72 3kr5 n ASN 568 Ca -0.11 -2.01 -0.22 0.00 -0.60 0.00 0.00 54.58 51.64 3kr5 n ASN 568 Cb 0.62 0.05 -0.14 0.00 -0.53 0.00 0.00 39.78 39.79 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 -0.13 1.23 0.08 -0.44 2.01 -1.26 -5.09 115.64 112.05 3kr5 s THR 569 Ca 0.15 -0.85 -0.33 0.00 0.31 0.00 0.00 61.69 60.96 3kr5 s THR 569 Cb 0.19 -1.06 -0.13 0.00 0.01 0.00 0.00 72.50 71.50 3kr5 s THR 569 CO -0.07 0.20 1.71 0.00 -0.69 0.00 0.00 174.62 175.77 3kr5 n ALA 570 N 2.30 1.41 -2.95 7.40 0.00 -1.25 -4.90 120.51 122.52 3kr5 n ALA 570 Ca -0.16 0.38 -0.12 0.00 0.00 0.00 0.00 53.44 53.54 3kr5 n ALA 570 Cb 0.55 -2.44 -0.13 0.00 0.00 0.00 0.00 19.45 17.43 3kr5 n ALA 570 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 177.50 177.04 3kr5 s TRP 571 N 2.13 -0.03 0.04 0.00 -0.00 -1.26 -1.51 118.94 118.32 3kr5 s TRP 571 Ca 0.83 0.08 0.01 0.00 -0.00 0.00 0.00 56.10 57.02 3kr5 s TRP 571 Cb -0.64 -0.00 -0.03 0.00 -0.00 0.00 0.00 33.47 32.80 3kr5 s TRP 571 CO 0.42 -0.07 -0.05 0.00 -0.00 0.00 0.00 176.95 177.25 3kr5 s ALA 572 N -0.21 0.43 -0.09 5.86 0.00 -0.15 -1.24 121.76 126.36 3kr5 s ALA 572 Ca -0.03 -0.79 -0.00 0.00 0.00 0.00 0.00 51.96 51.14 3kr5 s ALA 572 Cb -0.02 0.12 0.02 0.00 0.00 0.00 0.00 23.12 23.24 3kr5 s ALA 572 CO 0.00 -0.12 -0.05 -1.58 0.00 0.00 0.00 175.76 174.00 3kr5 s HIS 573 N -1.83 1.14 -0.30 0.00 2.46 0.19 -0.99 115.29 115.96 3kr5 s HIS 573 Ca -0.09 -0.47 -0.04 0.00 0.47 0.00 0.00 55.06 54.92 3kr5 s HIS 573 Cb -0.07 -1.01 0.03 0.00 -0.13 0.00 0.00 32.58 31.40 3kr5 s HIS 573 CO -0.02 -0.39 0.03 0.42 -2.47 0.00 0.00 174.74 172.32 3kr5 s ILE 574 N 1.56 3.41 -0.51 0.89 1.01 0.96 -1.01 121.20 127.50 3kr5 s ILE 574 Ca 0.01 -1.06 -0.21 0.00 0.00 0.00 0.00 60.65 59.39 3kr5 s ILE 574 Cb -0.13 -2.85 0.05 0.00 0.01 0.00 0.00 42.46 39.54 3kr5 s ILE 574 CO -0.05 -0.01 0.72 -0.62 0.00 0.00 0.00 174.94 174.98 3kr5 s ASP 575 N 1.37 6.26 -0.23 3.58 -1.08 0.27 -1.21 116.67 125.63 3kr5 s ASP 575 Ca -0.01 -0.71 0.14 0.00 -0.52 0.00 0.00 52.55 51.45 3kr5 s ASP 575 Cb -0.18 -2.33 0.69 0.00 -1.46 0.00 0.00 42.92 39.63 3kr5 s ASP 575 CO 0.00 -0.98 1.63 2.30 0.52 0.00 0.00 175.17 178.64 3kr5 n ILE 576 N 5.80 2.62 -0.31 4.11 -5.35 0.11 -2.38 119.36 123.96 3kr5 n ILE 576 Ca -0.04 -1.69 -0.02 0.00 -0.27 0.00 0.00 62.75 60.74 3kr5 n ILE 576 Cb 0.46 -0.29 0.10 0.00 -1.74 0.00 0.00 39.64 38.18 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 2.82 1.10 0.00 -1.28 0.00 -1.82 -0.11 119.26 119.97 3kr5 h ALA 577 Ca 0.06 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3kr5 h ALA 577 Cb 1.83 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 19.34 3kr5 h ALA 577 CO 0.43 0.37 -0.15 0.78 0.00 0.00 0.00 179.25 180.68 3kr5 h GLY 578 N 1.05 0.00 0.00 0.00 0.00 -1.80 -3.37 103.07 98.95 3kr5 h GLY 578 Ca 0.33 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.66 3kr5 h GLY 578 CO -0.11 0.00 -1.36 1.55 0.00 0.00 0.00 176.54 176.61 3kr5 n VAL 579 N -2.64 0.02 -0.12 4.60 3.14 -0.86 -3.93 118.33 118.54 3kr5 n VAL 579 Ca 0.04 -0.18 -0.11 0.00 -2.96 0.00 0.00 64.34 61.13 3kr5 n VAL 579 Cb 0.48 0.28 -0.03 0.00 -1.06 0.00 0.00 33.84 33.52 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 0.61 -3.03 6.55 0.87 -1.20 -3.42 113.55 113.92 3kr5 h SER 580 Ca -0.01 -0.33 -0.62 0.00 -1.23 0.00 0.00 61.79 59.60 3kr5 h SER 580 Cb 0.39 -0.17 -0.09 0.00 -0.44 0.00 0.00 62.40 62.10 3kr5 h SER 580 CO 0.00 0.80 -0.42 0.86 -0.53 0.00 0.00 176.83 177.54 3kr5 s TRP 581 N -4.90 3.52 -0.72 2.24 -0.11 -1.26 -1.21 118.94 116.50 3kr5 s TRP 581 Ca -0.13 0.54 -0.20 0.00 1.22 0.00 0.00 56.10 57.53 3kr5 s TRP 581 Cb 0.09 -2.14 0.11 0.00 -1.50 0.00 0.00 33.47 30.03 3kr5 s TRP 581 CO 0.78 0.47 0.90 1.21 -4.62 0.00 0.00 176.95 175.69 3kr5 s ASN 582 N -0.25 6.34 0.21 5.86 3.84 0.15 -4.90 114.94 126.19 3kr5 s ASN 582 Ca 0.14 -1.55 -0.07 0.00 0.21 0.00 0.00 52.86 51.60 3kr5 s ASN 582 Cb -0.12 -2.36 0.16 0.00 -0.55 0.00 0.00 41.25 38.38 3kr5 s ASN 582 CO 0.03 -1.17 1.71 -0.26 -2.79 0.00 0.00 177.10 174.62 3kr5 h PHE 583 N 9.12 1.10 -0.14 0.43 -1.00 -1.96 0.16 116.94 124.64 3kr5 h PHE 583 Ca -0.15 -0.15 -0.01 0.00 2.81 0.00 0.00 57.97 60.47 3kr5 h PHE 583 Cb 1.06 -0.30 -0.01 0.00 3.61 0.00 0.00 35.95 40.31 3kr5 h PHE 583 CO 0.98 0.94 0.04 0.87 -1.61 0.00 0.00 178.31 179.53 3kr5 h LYS 584 N 0.97 0.21 -0.00 1.51 1.79 -1.95 -2.89 116.57 116.22 3kr5 h LYS 584 Ca 0.19 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 3kr5 h LYS 584 Cb 0.45 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 3kr5 h LYS 584 CO 0.01 0.35 -0.05 0.00 -1.08 0.00 0.00 179.45 178.68 3kr5 n ALA 585 N -2.24 2.63 -3.68 3.86 0.00 -1.11 -4.92 120.51 115.04 3kr5 n ALA 585 Ca -0.05 -0.20 -0.23 0.00 0.00 0.00 0.00 53.44 52.96 3kr5 n ALA 585 Cb 0.14 -1.42 0.05 0.00 0.00 0.00 0.00 19.45 18.22 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 -1.11 -5.82 -3.72 0.00 1.74 0.50 -5.00 116.66 103.24 3kr5 n ARG 586 Ca 0.15 0.69 -0.10 0.00 -0.77 0.00 0.00 57.85 57.82 3kr5 n ARG 586 Cb 0.25 -5.48 -0.04 0.00 -1.02 0.00 0.00 32.46 26.16 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 -6.05 1.23 0.86 5.56 -2.85 -0.89 -5.01 119.74 112.59 3kr5 s LYS 587 Ca 0.23 -0.83 -0.11 0.00 -1.00 0.00 0.00 55.97 54.26 3kr5 s LYS 587 Cb -0.11 0.48 0.11 0.00 -2.06 0.00 0.00 37.83 36.25 3kr5 s LYS 587 CO 0.79 -0.50 1.09 -2.14 0.10 0.00 0.00 175.35 174.69 3kr5 s PRO 588 N -3.85 1.54 -0.02 1.78 0.02 -1.26 0.29 135.00 133.49 3kr5 s PRO 588 Ca 0.07 0.94 0.20 0.00 0.02 0.00 0.00 61.00 62.23 3kr5 s PRO 588 Cb 0.01 -1.83 -0.30 0.00 0.02 0.00 0.00 34.50 32.40 3kr5 s PRO 588 CO -0.06 -2.08 0.47 1.63 -0.33 0.00 0.00 177.00 176.63 3kr5 n LYS 589 N -3.79 0.60 -2.69 5.54 5.02 -0.35 -4.63 118.16 117.86 3kr5 n LYS 589 Ca 0.08 -0.16 -0.17 0.00 -2.02 0.00 0.00 58.31 56.04 3kr5 n LYS 589 Cb 0.54 -1.46 0.02 0.00 -0.02 0.00 0.00 35.03 34.11 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 1.39 -0.24 3.75 0.72 0.00 -1.26 -4.89 105.19 104.66 3kr5 n GLY 590 Ca -0.03 -0.13 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.96 2.95 0.00 1.61 5.36 -1.26 -3.23 117.98 120.46 3kr5 s PHE 591 Ca 0.17 0.95 0.00 0.00 -0.96 0.00 0.00 56.93 57.09 3kr5 s PHE 591 Cb -0.07 -3.89 0.00 0.00 -0.34 0.00 0.00 43.02 38.72 3kr5 s PHE 591 CO 0.21 -2.94 0.00 0.41 -1.46 0.00 0.00 175.22 171.44 3kr5 n GLY 592 N 2.25 2.73 0.15 13.12 0.00 -1.26 -4.67 105.19 117.51 3kr5 n GLY 592 Ca 0.07 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.95 3kr5 n GLY 592 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kr5 h VAL 593 N 0.00 0.79 -0.20 1.61 2.07 -1.75 0.51 116.25 119.28 3kr5 h VAL 593 Ca 0.00 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 3kr5 h VAL 593 Cb 0.00 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 3kr5 h VAL 593 CO 0.00 0.00 0.03 0.03 0.02 0.00 0.00 177.57 177.65 3kr5 h ARG 594 N -0.29 0.34 -0.25 1.57 3.08 -1.90 -1.29 114.38 115.63 3kr5 h ARG 594 Ca -0.03 -0.09 0.06 0.00 0.07 0.00 0.00 59.98 59.98 3kr5 h ARG 594 Cb 0.23 -0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.16 3kr5 h ARG 594 CO 0.05 0.50 -0.39 1.25 -1.07 0.00 0.00 179.97 180.31 3kr5 h LEU 595 N 0.13 -1.26 -0.92 3.04 5.85 -1.82 0.48 115.31 120.80 3kr5 h LEU 595 Ca 0.06 0.18 -0.02 0.00 0.84 0.00 0.00 57.88 58.95 3kr5 h LEU 595 Cb 0.33 0.54 -0.04 0.00 0.37 0.00 0.00 40.66 41.86 3kr5 h LEU 595 CO 0.01 -0.38 0.48 -0.07 -0.34 0.00 0.00 178.44 178.13 3kr5 h LEU 596 N -0.39 1.11 -0.38 2.25 3.38 -0.84 -0.14 115.31 120.29 3kr5 h LEU 596 Ca 0.11 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 3kr5 h LEU 596 Cb 0.59 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3kr5 h LEU 596 CO -0.46 0.90 -0.03 0.74 0.09 0.00 0.00 178.44 179.67 3kr5 h THR 597 N 1.25 1.27 -0.71 0.22 2.02 -0.48 0.45 112.91 116.92 3kr5 h THR 597 Ca 0.31 -1.06 0.04 0.00 0.77 0.00 0.00 66.41 66.47 3kr5 h THR 597 Cb 0.04 1.19 -0.05 0.00 -1.74 0.00 0.00 68.15 67.59 3kr5 h THR 597 CO -0.05 0.36 0.43 -0.33 0.37 0.00 0.00 175.52 176.30 3kr5 h GLU 598 N 0.51 0.80 -0.10 6.66 4.39 0.15 0.26 114.58 127.25 3kr5 h GLU 598 Ca 0.10 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.77 3kr5 h GLU 598 Cb 0.52 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.97 3kr5 h GLU 598 CO 0.03 0.53 0.01 0.35 -1.16 0.00 0.00 179.01 178.76 3kr5 h PHE 599 N 0.82 0.01 -0.39 4.33 3.57 -0.57 0.14 116.94 124.85 3kr5 h PHE 599 Ca 0.30 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.81 3kr5 h PHE 599 Cb 0.08 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.81 3kr5 h PHE 599 CO -0.05 -0.00 0.26 0.28 -2.23 0.00 0.00 178.31 176.57 3kr5 h VAL 600 N 0.05 1.10 -0.03 1.41 2.07 -0.58 -3.24 116.25 117.02 3kr5 h VAL 600 Ca 0.05 -0.19 -0.14 0.00 0.82 0.00 0.00 66.70 67.24 3kr5 h VAL 600 Cb 0.05 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 3kr5 h VAL 600 CO -0.07 0.10 -0.62 -0.07 0.02 0.00 0.00 177.57 176.93 3kr5 h LEU 601 N 0.53 0.14 -1.50 2.57 4.07 0.01 -3.25 115.31 117.89 3kr5 h LEU 601 Ca 0.14 -0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.02 3kr5 h LEU 601 Cb -0.06 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 41.64 3kr5 h LEU 601 CO -0.03 0.72 0.00 0.59 -1.08 0.00 0.00 178.44 178.64 3kr5 n ASN 602 N -3.84 2.22 0.00 -0.43 5.03 0.44 -5.04 115.26 113.65 3kr5 n ASN 602 Ca -0.02 -1.85 0.11 0.00 0.87 0.00 0.00 54.58 53.69 3kr5 n ASN 602 Cb 0.62 -0.19 0.64 0.00 -1.02 0.00 0.00 39.78 39.83 3kr5 n ASN 602 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90