#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kr5 s GLU 87 N 0.00 3.11 -0.10 -1.46 0.41 -1.26 -4.97 118.70 114.43 3kr5 s GLU 87 Ca 0.00 -1.19 -0.29 0.00 -0.41 0.00 0.00 54.97 53.08 3kr5 s GLU 87 Cb 0.00 -4.29 -0.06 0.00 -1.78 0.00 0.00 34.13 27.99 3kr5 s GLU 87 CO 0.00 -1.66 2.01 0.54 -0.49 0.00 0.00 175.26 175.66 3kr5 s VAL 88 N 3.15 3.12 0.62 2.63 0.11 -1.26 -4.96 120.40 123.81 3kr5 s VAL 88 Ca 0.17 0.14 -0.18 0.00 -2.93 0.00 0.00 61.98 59.18 3kr5 s VAL 88 Cb -0.20 -3.12 -0.02 0.00 -1.53 0.00 0.00 36.38 31.51 3kr5 s VAL 88 CO 0.06 -0.05 1.20 -2.16 -3.33 0.00 0.00 175.10 170.83 3kr5 s PRO 89 N 5.21 2.82 0.08 1.54 0.04 -1.26 -4.96 135.00 138.48 3kr5 s PRO 89 Ca 0.90 1.77 0.08 0.00 0.04 0.00 0.00 61.00 63.79 3kr5 s PRO 89 Cb -0.36 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.23 3kr5 s PRO 89 CO 0.37 -1.31 -0.20 -0.65 0.04 0.00 0.00 177.00 175.25 3kr5 s GLN 90 N -3.50 1.16 -0.13 4.56 -0.21 -1.26 -5.00 119.66 115.28 3kr5 s GLN 90 Ca 0.76 -1.07 -0.08 0.00 0.02 0.00 0.00 55.36 54.99 3kr5 s GLN 90 Cb -0.29 -1.36 -0.03 0.00 1.00 0.00 0.00 33.01 32.33 3kr5 s GLN 90 CO 0.36 0.32 -0.15 0.28 -2.12 0.00 0.00 175.29 173.98 3kr5 h VAL 91 N 4.18 0.00 -1.78 1.09 2.07 -1.97 -3.48 116.25 116.36 3kr5 h VAL 91 Ca -0.44 -0.99 -0.51 0.00 0.82 0.00 0.00 66.70 65.58 3kr5 h VAL 91 Cb 1.18 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.90 3kr5 h VAL 91 CO 0.41 0.00 -0.45 0.68 0.02 0.00 0.00 177.57 178.22 3kr5 s VAL 92 N -2.12 3.21 0.17 2.57 -7.23 -1.26 -5.05 120.40 110.69 3kr5 s VAL 92 Ca -0.12 -1.45 0.25 0.00 -1.81 0.00 0.00 61.98 58.85 3kr5 s VAL 92 Cb 0.02 -3.10 0.25 0.00 0.56 0.00 0.00 36.38 34.12 3kr5 s VAL 92 CO 0.18 -0.14 1.87 0.77 -0.31 0.00 0.00 175.10 177.48 3kr5 h SER 93 N 1.27 0.00 0.00 4.85 4.64 -2.03 -0.93 113.55 121.35 3kr5 h SER 93 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 3kr5 h SER 93 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3kr5 h SER 93 CO 0.60 0.19 0.00 0.18 -0.87 0.00 0.00 176.83 176.93 3kr5 n LEU 94 N -3.40 0.00 -4.69 5.97 4.77 -1.26 -4.80 117.00 113.59 3kr5 n LEU 94 Ca -0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 56.01 55.56 3kr5 n LEU 94 Cb 0.39 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.46 3kr5 n LEU 94 CO 0.32 0.00 0.80 -1.81 -1.33 0.00 0.00 177.39 175.37 3kr5 s ASP 95 N -1.79 7.24 0.49 -1.43 1.01 -0.36 -5.00 116.67 116.82 3kr5 s ASP 95 Ca 0.23 1.60 -0.22 0.00 0.71 0.00 0.00 52.55 54.86 3kr5 s ASP 95 Cb 0.11 -2.56 -0.07 0.00 1.01 0.00 0.00 42.92 41.41 3kr5 s ASP 95 CO 0.18 -0.44 1.21 -2.16 0.21 0.00 0.00 175.17 174.17 3kr5 s PRO 96 N 1.88 3.58 -0.20 8.23 0.04 -1.26 -4.95 135.00 142.32 3kr5 s PRO 96 Ca 0.50 1.88 0.13 0.00 0.04 0.00 0.00 61.00 63.56 3kr5 s PRO 96 Cb -0.20 -2.35 -0.22 0.00 0.04 0.00 0.00 34.50 31.78 3kr5 s PRO 96 CO 0.20 -0.73 0.00 0.25 0.04 0.00 0.00 177.00 176.77 3kr5 n THR 97 N -0.66 1.31 -4.26 1.26 -2.24 -1.26 -4.84 114.28 103.59 3kr5 n THR 97 Ca 0.08 -0.74 -0.18 0.00 -2.27 0.00 0.00 64.05 60.94 3kr5 n THR 97 Cb 0.47 -0.69 -0.11 0.00 -2.10 0.00 0.00 70.33 67.91 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 -5.53 2.13 0.15 3.42 1.04 -1.26 -4.60 113.70 109.05 3kr5 s SER 98 Ca -0.14 -0.84 -0.30 0.00 0.48 0.00 0.00 55.95 55.15 3kr5 s SER 98 Cb 0.06 -0.08 -0.07 0.00 0.10 0.00 0.00 66.02 66.03 3kr5 s SER 98 CO 0.72 -0.14 1.16 -0.63 0.98 0.00 0.00 173.24 175.33 3kr5 s ILE 99 N -2.23 3.82 0.17 -1.02 1.01 -1.26 -4.92 121.20 116.78 3kr5 s ILE 99 Ca 0.11 1.47 -0.23 0.00 0.00 0.00 0.00 60.65 62.01 3kr5 s ILE 99 Cb -0.04 -3.94 -0.08 0.00 0.01 0.00 0.00 42.46 38.40 3kr5 s ILE 99 CO 0.04 0.21 0.73 -2.16 0.00 0.00 0.00 174.94 173.76 3kr5 s PRO 100 N 0.07 4.41 -0.07 2.79 0.04 -1.26 -5.03 135.00 135.95 3kr5 s PRO 100 Ca 0.53 1.00 -0.01 0.00 0.04 0.00 0.00 61.00 62.57 3kr5 s PRO 100 Cb -0.30 -3.13 0.03 0.00 0.04 0.00 0.00 34.50 31.13 3kr5 s PRO 100 CO 0.34 0.52 -0.01 0.42 0.04 0.00 0.00 177.00 178.31 3kr5 s ILE 101 N -1.27 0.45 -0.52 0.56 -1.09 -1.26 -4.96 121.20 113.11 3kr5 s ILE 101 Ca 0.37 0.04 -0.23 0.00 -2.23 0.00 0.00 60.65 58.61 3kr5 s ILE 101 Cb -0.20 -0.57 0.04 0.00 -1.58 0.00 0.00 42.46 40.15 3kr5 s ILE 101 CO 0.23 0.26 0.83 -1.83 -1.23 0.00 0.00 174.94 173.20 3kr5 s GLU 102 N 1.71 3.29 -0.01 2.79 -1.05 -1.26 -4.95 118.70 119.22 3kr5 s GLU 102 Ca 0.01 -0.39 -0.00 0.00 -0.15 0.00 0.00 54.97 54.44 3kr5 s GLU 102 Cb -0.13 -4.04 -0.00 0.00 -0.44 0.00 0.00 34.13 29.52 3kr5 s GLU 102 CO -0.04 -1.34 0.03 1.88 0.95 0.00 0.00 175.26 176.73 3kr5 h TYR 103 N 9.16 -0.00 -2.67 4.83 -1.99 -2.02 -3.44 116.97 120.84 3kr5 h TYR 103 Ca -0.26 -0.00 -0.54 0.00 2.00 0.00 0.00 58.73 59.92 3kr5 h TYR 103 Cb 1.08 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.81 3kr5 h TYR 103 CO 0.85 -0.00 1.03 -0.80 -0.00 0.00 0.00 178.16 179.24 3kr5 s ASN 104 N -3.17 6.69 0.34 3.88 0.01 -1.26 -5.00 114.94 116.42 3kr5 s ASN 104 Ca -0.00 2.25 0.09 0.00 -0.71 0.00 0.00 52.86 54.50 3kr5 s ASN 104 Cb 0.00 -2.54 -0.06 0.00 0.41 0.00 0.00 41.25 39.06 3kr5 s ASN 104 CO 0.00 -0.88 -0.06 0.42 -1.51 0.00 0.00 177.10 175.07 3kr5 s THR 105 N 3.52 2.38 0.25 1.60 -4.23 -1.26 -5.03 115.64 112.88 3kr5 s THR 105 Ca 0.72 -2.13 -0.03 0.00 -1.18 0.00 0.00 61.69 59.07 3kr5 s THR 105 Cb -0.34 -2.69 0.22 0.00 1.34 0.00 0.00 72.50 71.03 3kr5 s THR 105 CO 0.29 -0.21 1.77 -0.65 -0.54 0.00 0.00 174.62 175.28 3kr5 h PRO 106 N 1.95 0.59 -0.96 3.99 0.11 -1.99 -2.86 132.00 132.83 3kr5 h PRO 106 Ca -0.42 -0.04 0.18 0.00 0.11 0.00 0.00 66.00 65.83 3kr5 h PRO 106 Cb 1.25 -0.13 -0.17 0.00 0.11 0.00 0.00 31.00 32.05 3kr5 h PRO 106 CO 0.69 0.39 -0.30 0.82 -0.21 0.00 0.00 178.00 179.39 3kr5 h ILE 107 N 0.61 0.03 -0.89 4.15 1.08 -1.93 0.49 117.51 121.04 3kr5 h ILE 107 Ca 0.43 0.00 0.23 0.00 -0.39 0.00 0.00 64.86 65.12 3kr5 h ILE 107 Cb 0.56 0.03 -0.06 0.00 -3.07 0.00 0.00 36.82 34.28 3kr5 h ILE 107 CO -0.34 0.00 0.61 0.45 -0.69 0.00 0.00 178.15 178.18 3kr5 h HIS 108 N -0.01 0.33 -0.00 1.37 3.86 -1.90 -0.55 115.15 118.25 3kr5 h HIS 108 Ca 0.41 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.63 3kr5 h HIS 108 Cb 0.66 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 29.03 3kr5 h HIS 108 CO -0.79 0.08 -0.10 -0.25 0.86 0.00 0.00 177.93 177.72 3kr5 n ASP 109 N -4.43 0.24 -4.69 2.45 8.00 0.17 -4.81 116.55 113.48 3kr5 n ASP 109 Ca 0.19 -0.16 -0.42 0.00 0.71 0.00 0.00 54.79 55.11 3kr5 n ASP 109 Cb 0.80 -0.19 -0.03 0.00 -0.02 0.00 0.00 41.12 41.68 3kr5 n ASP 109 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3kr5 s ILE 110 N -2.69 4.04 -0.04 0.53 1.01 -0.22 -4.81 121.20 119.02 3kr5 s ILE 110 Ca 0.23 1.41 -0.23 0.00 0.00 0.00 0.00 60.65 62.05 3kr5 s ILE 110 Cb 0.20 -3.90 -0.04 0.00 0.01 0.00 0.00 42.46 38.72 3kr5 s ILE 110 CO 0.51 0.03 0.70 -0.54 0.00 0.00 0.00 174.94 175.64 3kr5 s LYS 111 N 1.97 4.44 -0.12 2.79 3.01 -0.24 -4.91 119.74 126.68 3kr5 s LYS 111 Ca 0.59 0.91 -0.03 0.00 -1.01 0.00 0.00 55.97 56.42 3kr5 s LYS 111 Cb -0.28 -3.42 -0.03 0.00 -1.01 0.00 0.00 37.83 33.09 3kr5 s LYS 111 CO 0.25 0.14 -0.01 0.08 0.51 0.00 0.00 175.35 176.32 3kr5 s VAL 112 N 0.53 4.17 -0.04 3.17 1.01 -1.26 -0.40 120.40 127.58 3kr5 s VAL 112 Ca 0.37 -0.28 0.04 0.00 0.00 0.00 0.00 61.98 62.11 3kr5 s VAL 112 Cb -0.18 -2.79 -0.00 0.00 0.00 0.00 0.00 36.38 33.40 3kr5 s VAL 112 CO 0.19 0.55 -0.17 -1.10 0.00 0.00 0.00 175.10 174.57 3kr5 s GLN 113 N -0.29 1.80 -0.25 2.72 -1.52 -0.06 -4.97 119.66 117.07 3kr5 s GLN 113 Ca 0.06 -0.61 -0.03 0.00 -1.95 0.00 0.00 55.36 52.83 3kr5 s GLN 113 Cb -0.12 -1.56 0.02 0.00 -0.22 0.00 0.00 33.01 31.13 3kr5 s GLN 113 CO 0.02 0.23 -0.02 0.08 -0.25 0.00 0.00 175.29 175.35 3kr5 s VAL 114 N 0.07 3.21 0.16 1.09 1.01 -1.26 0.21 120.40 124.89 3kr5 s VAL 114 Ca -0.04 -0.86 0.06 0.00 0.00 0.00 0.00 61.98 61.13 3kr5 s VAL 114 Cb -0.12 -2.61 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 3kr5 s VAL 114 CO 0.02 0.21 0.08 -0.31 0.00 0.00 0.00 175.10 175.10 3kr5 s TYR 115 N 1.39 3.03 0.11 5.22 1.51 0.92 -4.84 117.35 124.69 3kr5 s TYR 115 Ca 0.02 -0.05 -0.26 0.00 -1.01 0.00 0.00 57.07 55.76 3kr5 s TYR 115 Cb -0.16 -1.47 -0.07 0.00 -0.11 0.00 0.00 41.96 40.15 3kr5 s TYR 115 CO -0.03 0.52 0.81 0.34 -1.11 0.00 0.00 175.55 176.08 3kr5 s ASP 116 N -2.96 7.34 0.18 2.29 -1.08 -1.26 -2.00 116.67 119.18 3kr5 s ASP 116 Ca 0.29 1.59 0.23 0.00 -0.52 0.00 0.00 52.55 54.15 3kr5 s ASP 116 Cb -0.10 -2.50 0.90 0.00 -1.46 0.00 0.00 42.92 39.76 3kr5 s ASP 116 CO 0.21 0.08 1.70 0.00 0.52 0.00 0.00 175.17 177.68 3kr5 n ILE 117 N 2.32 0.74 0.25 4.11 3.06 -1.18 -2.18 119.36 126.48 3kr5 n ILE 117 Ca -0.03 0.10 0.14 0.00 -2.50 0.00 0.00 62.75 60.46 3kr5 n ILE 117 Cb 0.49 -0.95 0.39 0.00 0.54 0.00 0.00 39.64 40.11 3kr5 n ILE 117 CO 0.00 0.00 0.00 0.11 -2.50 0.00 0.00 176.55 174.16 3kr5 h LYS 118 N 0.00 0.00 0.00 9.51 1.57 -1.91 -2.75 116.57 122.98 3kr5 h LYS 118 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3kr5 h LYS 118 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.75 3kr5 h LYS 118 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 3kr5 n GLY 119 N 0.66 -1.59 0.00 3.86 0.00 -0.93 -5.06 105.19 102.14 3kr5 n GLY 119 Ca 0.03 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3kr5 n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kr5 n GLY 120 N 1.19 -1.73 3.27 -0.02 0.00 -1.04 -4.98 105.19 101.87 3kr5 n GLY 120 Ca 0.06 -1.53 -0.35 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 1.43 6.90 -0.44 0.00 2.47 -1.26 -1.53 114.94 122.52 3kr5 s ASN 122 Ca 0.05 1.84 0.02 0.00 0.42 0.00 0.00 52.86 55.19 3kr5 s ASN 122 Cb -0.14 -2.54 0.14 0.00 -1.45 0.00 0.00 41.25 37.25 3kr5 s ASN 122 CO -0.05 -0.76 0.24 0.68 -3.72 0.00 0.00 177.10 173.49 3kr5 s VAL 123 N 3.29 1.36 0.00 -5.21 -7.23 -1.26 -4.91 120.40 106.44 3kr5 s VAL 123 Ca 0.59 -2.52 0.00 0.00 -1.81 0.00 0.00 61.98 58.24 3kr5 s VAL 123 Cb -0.25 -1.96 0.00 0.00 0.56 0.00 0.00 36.38 34.73 3kr5 s VAL 123 CO 0.19 -0.90 0.04 -1.84 -0.31 0.00 0.00 175.10 172.29 3kr5 n GLU 124 N 3.57 4.13 -3.71 4.82 0.28 -1.26 -4.71 120.64 123.76 3kr5 n GLU 124 Ca 0.09 -0.04 -0.10 0.00 -0.16 0.00 0.00 57.16 56.94 3kr5 n GLU 124 Cb 0.35 -0.41 -0.05 0.00 1.43 0.00 0.00 31.44 32.76 3kr5 n GLU 124 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 3kr5 s GLU 125 N -0.60 1.18 3.53 3.44 -1.05 -1.26 -4.86 118.70 119.08 3kr5 s GLU 125 Ca 0.00 -0.81 0.00 0.00 -0.15 0.00 0.00 54.97 54.01 3kr5 s GLU 125 Cb 0.00 0.48 0.00 0.00 -0.44 0.00 0.00 34.13 34.17 3kr5 s GLU 125 CO 0.00 -0.47 0.00 0.41 0.95 0.00 0.00 175.26 176.15 3kr5 n GLY 126 N -0.26 0.65 3.56 -3.83 0.00 -1.26 -4.58 105.19 99.47 3kr5 n GLY 126 Ca -0.13 -0.77 -0.36 0.00 0.00 0.00 0.00 46.02 44.76 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 3.71 -0.16 0.99 2.96 0.50 -0.52 118.68 126.15 3kr5 s LEU 127 Ca 0.00 -0.04 -0.03 0.00 -0.22 0.00 0.00 54.13 53.84 3kr5 s LEU 127 Cb 0.00 -1.98 -0.02 0.00 0.50 0.00 0.00 46.19 44.69 3kr5 s LEU 127 CO 0.00 0.06 -0.06 -0.89 -1.32 0.00 0.00 176.35 174.14 3kr5 s THR 128 N 1.08 3.61 -0.08 3.68 2.01 0.20 0.92 115.64 127.07 3kr5 s THR 128 Ca 0.05 -0.45 0.02 0.00 0.31 0.00 0.00 61.69 61.62 3kr5 s THR 128 Cb -0.14 -2.58 0.02 0.00 0.01 0.00 0.00 72.50 69.80 3kr5 s THR 128 CO 0.04 0.48 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.70 3kr5 s ILE 129 N 0.61 1.16 -0.20 1.82 -1.09 0.13 -1.18 121.20 122.45 3kr5 s ILE 129 Ca -0.04 -0.46 -0.17 0.00 -2.23 0.00 0.00 60.65 57.75 3kr5 s ILE 129 Cb -0.15 -1.08 -0.04 0.00 -1.58 0.00 0.00 42.46 39.62 3kr5 s ILE 129 CO 0.03 0.37 0.46 -0.36 -1.23 0.00 0.00 174.94 174.20 3kr5 s PHE 130 N 0.92 3.38 -0.33 3.97 0.40 0.29 -1.06 117.98 125.56 3kr5 s PHE 130 Ca -0.09 0.70 -0.23 0.00 -0.60 0.00 0.00 56.93 56.70 3kr5 s PHE 130 Cb -0.15 -2.59 0.00 0.00 0.51 0.00 0.00 43.02 40.79 3kr5 s PHE 130 CO 0.01 -0.04 0.78 -0.51 0.70 0.00 0.00 175.22 176.15 3kr5 s LEU 131 N 1.42 4.11 0.01 -0.37 1.43 0.56 -0.82 118.68 125.01 3kr5 s LEU 131 Ca 0.22 0.53 0.01 0.00 -1.03 0.00 0.00 54.13 53.85 3kr5 s LEU 131 Cb -0.15 -3.04 -0.01 0.00 0.03 0.00 0.00 46.19 43.02 3kr5 s LEU 131 CO 0.09 -0.65 -0.04 0.68 0.23 0.00 0.00 176.35 176.66 3kr5 s VAL 132 N 2.99 0.26 0.36 -1.59 -7.23 -1.11 -1.19 120.40 112.89 3kr5 s VAL 132 Ca 0.32 -0.55 0.05 0.00 -1.81 0.00 0.00 61.98 59.99 3kr5 s VAL 132 Cb -0.14 -0.30 -0.07 0.00 0.56 0.00 0.00 36.38 36.43 3kr5 s VAL 132 CO 0.14 -0.19 0.03 0.54 -0.31 0.00 0.00 175.10 175.31 3kr5 s ASN 133 N -0.79 3.04 -0.49 4.85 2.20 -1.26 -1.22 114.94 121.27 3kr5 s ASN 133 Ca -0.06 -1.37 0.05 0.00 -0.94 0.00 0.00 52.86 50.54 3kr5 s ASN 133 Cb -0.05 -0.22 0.18 0.00 -2.00 0.00 0.00 41.25 39.15 3kr5 s ASN 133 CO -0.00 -0.53 0.40 -3.20 -2.94 0.00 0.00 177.10 170.83 3kr5 n ASN 134 N -0.80 0.51 -4.69 3.54 2.85 0.18 -4.86 115.26 111.99 3kr5 n ASN 134 Ca -0.03 -2.63 -0.42 0.00 -0.11 0.00 0.00 54.58 51.39 3kr5 n ASN 134 Cb 0.67 -0.61 0.00 0.00 1.24 0.00 0.00 39.78 41.08 3kr5 n ASN 134 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 3kr5 n PRO 135 N 2.46 1.94 0.00 1.20 -0.02 -1.26 -3.00 135.00 136.31 3kr5 n PRO 135 Ca 0.27 0.69 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 3kr5 n PRO 135 Cb 0.45 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.62 3kr5 n PRO 135 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kr5 n GLY 136 N 0.84 1.98 3.55 -1.23 0.00 -1.25 -4.93 105.19 104.15 3kr5 n GLY 136 Ca 0.06 -0.48 -0.38 0.00 0.00 0.00 0.00 46.02 45.22 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 2.51 0.01 1.61 -2.85 -1.16 -4.95 119.74 114.90 3kr5 s LYS 137 Ca 0.00 0.93 -0.30 0.00 -1.00 0.00 0.00 55.97 55.60 3kr5 s LYS 137 Cb 0.00 -4.44 -0.07 0.00 -2.06 0.00 0.00 37.83 31.26 3kr5 s LYS 137 CO 0.00 -2.84 1.73 -1.21 0.10 0.00 0.00 175.35 173.13 3kr5 s GLU 138 N 7.32 4.18 -1.46 1.78 8.01 -1.26 -1.65 118.70 135.61 3kr5 s GLU 138 Ca 0.78 2.34 -0.06 0.00 0.01 0.00 0.00 54.97 58.03 3kr5 s GLU 138 Cb -0.15 -3.91 0.03 0.00 -4.31 0.00 0.00 34.13 25.79 3kr5 s GLU 138 CO 0.23 -0.84 0.59 0.09 0.01 0.00 0.00 175.26 175.34 3kr5 n ASN 139 N 6.75 -5.34 -3.52 -0.19 3.02 -1.26 -4.99 115.26 109.73 3kr5 n ASN 139 Ca 0.17 -0.33 -0.25 0.00 -0.03 0.00 0.00 54.58 54.14 3kr5 n ASN 139 Cb 0.42 -4.33 0.19 0.00 -0.61 0.00 0.00 39.78 35.45 3kr5 n ASN 139 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kr5 n GLY 140 N -1.43 -2.06 3.79 7.41 0.00 -0.66 -4.38 105.19 107.86 3kr5 n GLY 140 Ca -0.08 -1.60 -0.33 0.00 0.00 0.00 0.00 46.02 44.01 3kr5 n GLY 140 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3kr5 s PRO 141 N -5.31 3.11 -0.08 1.61 0.02 -1.26 -0.32 135.00 132.77 3kr5 s PRO 141 Ca 0.63 1.33 -0.30 0.00 0.02 0.00 0.00 61.00 62.68 3kr5 s PRO 141 Cb -0.04 -2.00 -0.02 0.00 0.02 0.00 0.00 34.50 32.46 3kr5 s PRO 141 CO 0.46 -0.99 1.11 0.08 -0.33 0.00 0.00 177.00 177.32 3kr5 s VAL 142 N -2.32 4.51 -0.13 3.83 1.01 -0.91 -4.62 120.40 121.77 3kr5 s VAL 142 Ca 0.66 1.81 -0.00 0.00 0.00 0.00 0.00 61.98 64.45 3kr5 s VAL 142 Cb -0.19 -4.16 0.02 0.00 0.00 0.00 0.00 36.38 32.06 3kr5 s VAL 142 CO 0.37 0.00 -0.10 -0.75 0.00 0.00 0.00 175.10 174.62 3kr5 s LYS 143 N 2.10 1.84 -0.28 2.72 2.20 -1.26 -3.18 119.74 123.88 3kr5 s LYS 143 Ca 0.52 -0.38 -0.19 0.00 -0.36 0.00 0.00 55.97 55.56 3kr5 s LYS 143 Cb -0.22 -1.79 -0.02 0.00 -1.51 0.00 0.00 37.83 34.29 3kr5 s LYS 143 CO 0.20 -0.25 0.57 0.42 -0.36 0.00 0.00 175.35 175.93 3kr5 s ILE 144 N 1.59 5.01 0.05 5.43 -1.09 -1.26 -4.92 121.20 126.01 3kr5 s ILE 144 Ca 0.05 0.86 -0.20 0.00 -2.23 0.00 0.00 60.65 59.12 3kr5 s ILE 144 Cb -0.13 -3.91 -0.13 0.00 -1.58 0.00 0.00 42.46 36.71 3kr5 s ILE 144 CO -0.09 -0.02 1.39 0.28 -1.23 0.00 0.00 174.94 175.27 3kr5 h SER 145 N 8.10 0.36 -3.38 3.58 0.02 -1.96 -3.48 113.55 116.79 3kr5 h SER 145 Ca -0.28 -0.43 -0.54 0.00 -0.84 0.00 0.00 61.79 59.70 3kr5 h SER 145 Cb 1.13 -0.10 0.09 0.00 0.14 0.00 0.00 62.40 63.66 3kr5 h SER 145 CO 0.75 0.72 0.83 -1.20 -1.14 0.00 0.00 176.83 176.79 3kr5 n SER 146 N -4.60 3.73 -4.77 3.07 7.64 -1.26 -4.98 113.62 112.46 3kr5 n SER 146 Ca -0.06 1.17 -0.40 0.00 1.01 0.00 0.00 58.87 60.59 3kr5 n SER 146 Cb 0.32 -1.58 -0.03 0.00 -1.01 0.00 0.00 64.21 61.91 3kr5 n SER 146 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 3kr5 s LYS 147 N -0.89 4.32 -0.06 1.43 0.00 -1.26 -4.89 119.74 118.39 3kr5 s LYS 147 Ca 0.62 1.99 0.01 0.00 0.00 0.00 0.00 55.97 58.58 3kr5 s LYS 147 Cb -0.50 -2.97 0.02 0.00 0.00 0.00 0.00 37.83 34.38 3kr5 s LYS 147 CO 0.52 -0.13 -0.07 0.14 0.00 0.00 0.00 175.35 175.82 3kr5 s VAL 148 N -1.24 0.73 -0.08 1.79 -7.23 -1.26 -0.16 120.40 112.95 3kr5 s VAL 148 Ca 0.50 -0.22 0.02 0.00 -1.81 0.00 0.00 61.98 60.48 3kr5 s VAL 148 Cb -0.35 -0.73 0.02 0.00 0.56 0.00 0.00 36.38 35.88 3kr5 s VAL 148 CO 0.45 0.28 0.77 0.59 -0.31 0.00 0.00 175.10 176.88 3kr5 n ASN 149 N 4.14 0.06 -4.47 4.85 3.02 -0.58 -4.55 115.26 117.73 3kr5 n ASN 149 Ca -0.22 0.23 -0.34 0.00 -0.03 0.00 0.00 54.58 54.22 3kr5 n ASN 149 Cb 0.51 -0.16 -0.12 0.00 -0.61 0.00 0.00 39.78 39.39 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 -2.51 4.76 0.16 6.41 2.15 -1.26 -4.96 116.67 121.42 3kr5 s ASP 150 Ca -0.00 -0.17 -0.15 0.00 0.43 0.00 0.00 52.55 52.66 3kr5 s ASP 150 Cb 0.01 -1.79 0.04 0.00 -0.30 0.00 0.00 42.92 40.88 3kr5 s ASP 150 CO 0.02 0.13 1.78 0.07 -0.17 0.00 0.00 175.17 176.99 3kr5 h LYS 151 N 7.02 0.67 -0.39 4.34 2.10 -1.97 0.18 116.57 128.52 3kr5 h LYS 151 Ca -0.33 -0.07 0.00 0.00 -2.00 0.00 0.00 60.65 58.25 3kr5 h LYS 151 Cb 1.19 -0.13 -0.02 0.00 -0.90 0.00 0.00 32.23 32.36 3kr5 h LYS 151 CO 0.62 0.52 0.25 1.96 -2.00 0.00 0.00 179.45 180.80 3kr5 h GLN 152 N 0.65 0.52 -0.11 0.07 1.08 -1.89 -2.05 115.11 113.39 3kr5 h GLN 152 Ca 0.17 -0.04 -0.22 0.00 -1.45 0.00 0.00 58.65 57.11 3kr5 h GLN 152 Cb 0.03 -0.11 0.01 0.00 -0.05 0.00 0.00 27.48 27.36 3kr5 h GLN 152 CO -0.03 0.37 -0.82 0.28 -0.95 0.00 0.00 178.83 177.68 3kr5 h VAL 153 N 0.52 1.30 -0.83 -0.54 2.07 -1.84 -1.98 116.25 114.96 3kr5 h VAL 153 Ca 0.14 -2.07 0.20 0.00 0.82 0.00 0.00 66.70 65.79 3kr5 h VAL 153 Cb -0.03 2.09 -0.13 0.00 -1.52 0.00 0.00 31.29 31.70 3kr5 h VAL 153 CO -0.03 0.65 0.25 0.28 0.02 0.00 0.00 177.57 178.74 3kr5 h SER 154 N 0.46 0.08 0.14 0.57 0.02 -0.39 0.14 113.55 114.57 3kr5 h SER 154 Ca -0.06 0.17 -0.01 0.00 -0.84 0.00 0.00 61.79 61.05 3kr5 h SER 154 Cb 1.44 0.21 0.00 0.00 0.14 0.00 0.00 62.40 64.19 3kr5 h SER 154 CO 0.16 -0.07 -0.07 -0.08 -1.14 0.00 0.00 176.83 175.64 3kr5 h GLU 155 N 0.28 -0.18 -0.91 3.45 4.57 -1.13 -2.90 114.58 117.76 3kr5 h GLU 155 Ca 0.50 0.01 0.17 0.00 -1.18 0.00 0.00 59.36 58.86 3kr5 h GLU 155 Cb 0.93 0.04 -0.08 0.00 -0.16 0.00 0.00 28.75 29.49 3kr5 h GLU 155 CO -0.57 0.25 0.59 0.35 -1.18 0.00 0.00 179.01 178.45 3kr5 h PHE 156 N -0.70 0.77 -0.01 0.92 3.57 -0.74 -1.90 116.94 118.86 3kr5 h PHE 156 Ca -0.02 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3kr5 h PHE 156 Cb 0.51 -0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.01 3kr5 h PHE 156 CO 0.08 0.24 -0.01 1.28 -2.23 0.00 0.00 178.31 177.67 3kr5 n LEU 157 N -4.58 0.73 -4.75 0.59 4.77 0.43 -4.49 117.00 109.70 3kr5 n LEU 157 Ca 0.19 -0.23 -0.39 0.00 -0.03 0.00 0.00 56.01 55.55 3kr5 n LEU 157 Cb 0.56 -0.02 0.04 0.00 -2.33 0.00 0.00 43.42 41.68 3kr5 n LEU 157 CO 0.28 0.12 1.00 2.29 -1.33 0.00 0.00 177.39 179.76 3kr5 n LYS 158 N -0.46 1.76 -0.33 3.23 2.85 -0.71 -4.51 118.16 119.99 3kr5 n LYS 158 Ca 0.21 0.64 0.22 0.00 -1.05 0.00 0.00 58.31 58.33 3kr5 n LYS 158 Cb 0.24 -2.59 0.49 0.00 -0.65 0.00 0.00 35.03 32.52 3kr5 n LYS 158 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 3kr5 h ASP 159 N 1.52 0.47 -0.06 -5.58 3.32 -1.91 0.21 116.42 114.40 3kr5 h ASP 159 Ca -0.51 0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.63 3kr5 h ASP 159 Cb 1.30 0.01 -0.00 0.00 0.22 0.00 0.00 39.33 40.86 3kr5 h ASP 159 CO 0.57 0.09 0.04 -0.33 -1.72 0.00 0.00 179.24 177.89 3kr5 h GLU 160 N 0.42 0.08 0.07 3.56 3.07 -1.95 -1.21 114.58 118.61 3kr5 h GLU 160 Ca 0.60 -0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 59.33 3kr5 h GLU 160 Cb 1.47 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.37 3kr5 h GLU 160 CO -0.31 0.05 -0.61 -0.91 -1.40 0.00 0.00 179.01 175.83 3kr5 h ASN 161 N 0.08 0.22 0.84 1.42 2.35 -0.87 -3.38 115.58 116.25 3kr5 h ASN 161 Ca 0.02 -0.92 -0.12 0.00 -0.55 0.00 0.00 56.30 54.73 3kr5 h ASN 161 Cb -0.01 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 3kr5 h ASN 161 CO -0.00 1.28 -0.59 0.24 -1.65 0.00 0.00 177.43 176.70 3kr5 h MET 162 N -0.68 0.00 0.00 0.81 2.86 -1.23 -2.96 114.93 113.73 3kr5 h MET 162 Ca -0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 3kr5 h MET 162 Cb 1.37 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.03 3kr5 h MET 162 CO 0.04 0.59 0.00 1.05 1.06 0.00 0.00 176.91 179.66 3kr5 h GLU 163 N 0.00 0.00 0.00 1.72 4.11 -1.18 -0.09 114.58 119.14 3kr5 h GLU 163 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 3kr5 h GLU 163 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3kr5 h GLU 163 CO 0.08 0.00 0.00 1.63 0.07 0.00 0.00 179.01 180.79 3kr5 n LYS 164 N -2.36 0.13 -4.25 1.06 5.02 -1.12 -4.69 118.16 111.96 3kr5 n LYS 164 Ca -0.01 0.33 -0.24 0.00 -2.02 0.00 0.00 58.31 56.37 3kr5 n LYS 164 Cb 0.08 -1.73 -0.07 0.00 -0.02 0.00 0.00 35.03 33.28 3kr5 n LYS 164 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3kr5 s PHE 165 N -3.18 2.78 0.10 2.13 2.99 -0.05 -5.08 117.98 117.67 3kr5 s PHE 165 Ca 0.06 -0.19 0.08 0.00 0.00 0.00 0.00 56.93 56.89 3kr5 s PHE 165 Cb 0.10 -1.27 -0.03 0.00 0.00 0.00 0.00 43.02 41.81 3kr5 s PHE 165 CO 0.38 0.57 -0.21 0.54 -0.00 0.00 0.00 175.22 176.50 3kr5 s ASN 166 N -3.43 2.57 -0.00 1.36 2.20 -1.26 -2.14 114.94 114.23 3kr5 s ASN 166 Ca 0.30 -0.68 0.00 0.00 -0.94 0.00 0.00 52.86 51.54 3kr5 s ASN 166 Cb -0.08 -0.14 0.01 0.00 -2.00 0.00 0.00 41.25 39.04 3kr5 s ASN 166 CO 0.20 0.07 0.77 1.33 -2.94 0.00 0.00 177.10 176.53 3kr5 n VAL 167 N 1.10 0.03 -1.68 3.54 0.24 0.56 -4.69 118.33 117.43 3kr5 n VAL 167 Ca -0.19 -0.02 -0.52 0.00 -2.04 0.00 0.00 64.34 61.57 3kr5 n VAL 167 Cb 0.53 -0.24 -0.06 0.00 -1.47 0.00 0.00 33.84 32.61 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 -0.24 1.69 -0.99 7.34 4.81 -1.26 0.04 118.16 129.55 3kr5 n LYS 168 Ca 0.00 0.62 -0.39 0.00 -0.87 0.00 0.00 58.31 57.67 3kr5 n LYS 168 Cb 0.13 -2.37 -0.06 0.00 0.02 0.00 0.00 35.03 32.75 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 5.40 0.68 0.00 3.14 7.94 -1.26 -0.73 117.00 132.17 3kr5 n LEU 169 Ca 0.23 0.66 0.00 0.00 -1.11 0.00 0.00 56.01 55.79 3kr5 n LEU 169 Cb 0.22 -0.51 0.00 0.00 0.53 0.00 0.00 43.42 43.66 3kr5 n LEU 169 CO 0.74 -0.48 0.00 0.61 -1.11 0.00 0.00 177.39 177.15 3kr5 n GLY 170 N 2.47 3.34 3.76 -3.96 0.00 -0.14 -4.94 105.19 105.73 3kr5 n GLY 170 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.40 2.57 -0.05 2.61 2.01 0.09 -4.62 115.64 115.85 3kr5 s THR 171 Ca 0.00 0.44 -0.18 0.00 0.31 0.00 0.00 61.69 62.26 3kr5 s THR 171 Cb 0.00 -3.23 0.04 0.00 0.01 0.00 0.00 72.50 69.32 3kr5 s THR 171 CO 0.00 0.00 0.42 -0.94 -0.69 0.00 0.00 174.62 173.41 3kr5 s SER 172 N -1.09 -0.35 0.14 3.53 1.04 -1.26 -0.21 113.70 115.50 3kr5 s SER 172 Ca 0.66 0.38 0.08 0.00 0.48 0.00 0.00 55.95 57.56 3kr5 s SER 172 Cb -0.35 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.21 3kr5 s SER 172 CO 0.42 -0.43 -0.19 -0.54 0.98 0.00 0.00 173.24 173.48 3kr5 s LYS 173 N -1.00 1.22 -0.20 4.02 -0.14 -1.23 -5.03 119.74 117.39 3kr5 s LYS 173 Ca -0.10 -1.31 -0.16 0.00 -1.36 0.00 0.00 55.97 53.03 3kr5 s LYS 173 Cb -0.04 -1.37 0.05 0.00 -1.68 0.00 0.00 37.83 34.80 3kr5 s LYS 173 CO 0.05 0.29 0.51 -3.38 -0.76 0.00 0.00 175.35 172.06 3kr5 s HIS 174 N -1.69 -0.62 0.08 3.18 -3.43 -1.26 -2.27 115.29 109.27 3kr5 s HIS 174 Ca 0.12 1.43 0.09 0.00 -0.80 0.00 0.00 55.06 55.91 3kr5 s HIS 174 Cb -0.07 0.25 -0.03 0.00 -1.43 0.00 0.00 32.58 31.29 3kr5 s HIS 174 CO 0.06 -0.31 -0.24 -0.06 -2.00 0.00 0.00 174.74 172.18 3kr5 s PHE 175 N 0.64 2.38 0.11 0.38 0.40 -0.14 -4.95 117.98 116.81 3kr5 s PHE 175 Ca -0.03 -0.36 -0.18 0.00 -0.60 0.00 0.00 56.93 55.76 3kr5 s PHE 175 Cb -0.05 -1.36 -0.07 0.00 0.51 0.00 0.00 43.02 42.05 3kr5 s PHE 175 CO -0.04 0.24 0.59 0.71 0.70 0.00 0.00 175.22 177.41 3kr5 s TYR 176 N -0.93 3.75 0.17 0.36 1.51 -1.26 -1.93 117.35 119.01 3kr5 s TYR 176 Ca 0.14 1.24 -0.17 0.00 -1.01 0.00 0.00 57.07 57.27 3kr5 s TYR 176 Cb -0.10 -2.49 0.03 0.00 -0.11 0.00 0.00 41.96 39.29 3kr5 s TYR 176 CO 0.05 0.52 0.48 0.00 -1.11 0.00 0.00 175.55 175.49 3kr5 s MET 177 N -1.40 1.27 0.38 -0.62 0.23 -1.03 -5.02 119.30 113.10 3kr5 s MET 177 Ca 0.33 -0.80 -0.14 0.00 -1.03 0.00 0.00 55.69 54.04 3kr5 s MET 177 Cb -0.18 0.50 -0.08 0.00 -1.53 0.00 0.00 34.83 33.54 3kr5 s MET 177 CO 0.19 -0.53 0.79 -0.06 -2.03 0.00 0.00 175.02 173.38 3kr5 s PHE 178 N -3.85 3.41 0.00 3.16 0.08 -1.26 -1.82 117.98 117.70 3kr5 s PHE 178 Ca 0.07 1.21 0.00 0.00 0.12 0.00 0.00 56.93 58.33 3kr5 s PHE 178 Cb 0.00 -2.55 0.00 0.00 -0.57 0.00 0.00 43.02 39.90 3kr5 s PHE 178 CO -0.06 -0.03 0.00 0.27 -0.10 0.00 0.00 175.22 175.30 3kr5 n ASN 179 N -0.81 0.00 0.19 1.36 0.23 -0.93 -4.78 115.26 110.52 3kr5 n ASN 179 Ca 0.04 0.00 0.10 0.00 -0.53 0.00 0.00 54.58 54.18 3kr5 n ASN 179 Cb 0.54 0.00 0.12 0.00 -2.08 0.00 0.00 39.78 38.35 3kr5 n ASN 179 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 3kr5 h ASP 180 N 0.00 0.00 -0.52 0.53 3.32 -1.90 -2.76 116.42 115.09 3kr5 h ASP 180 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3kr5 h ASP 180 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3kr5 h ASP 180 CO 0.00 0.13 0.00 0.59 -1.72 0.00 0.00 179.24 178.24 3kr5 n ASN 181 N -3.09 3.06 -3.59 6.45 3.02 -1.26 -4.93 115.26 114.91 3kr5 n ASN 181 Ca 0.03 -1.97 -0.20 0.00 -0.03 0.00 0.00 54.58 52.40 3kr5 n ASN 181 Cb 0.58 -0.35 0.06 0.00 -0.61 0.00 0.00 39.78 39.47 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 1.18 -5.87 -5.09 3.52 5.02 -1.04 -5.02 118.16 110.85 3kr5 n LYS 182 Ca 0.19 0.73 -0.32 0.00 -2.02 0.00 0.00 58.31 56.89 3kr5 n LYS 182 Cb 0.50 -5.53 -0.16 0.00 -0.02 0.00 0.00 35.03 29.82 3kr5 n LYS 182 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 3kr5 s ASN 183 N -4.24 3.44 -0.26 4.39 0.02 -1.26 -4.79 114.94 112.23 3kr5 s ASN 183 Ca 0.08 -0.43 -0.30 0.00 -1.02 0.00 0.00 52.86 51.19 3kr5 s ASN 183 Cb -0.04 -1.09 -0.07 0.00 0.02 0.00 0.00 41.25 40.08 3kr5 s ASN 183 CO 0.77 0.23 2.23 -0.24 0.02 0.00 0.00 177.10 180.11 3kr5 n SER 184 N 3.05 2.94 -4.74 -1.22 2.88 -1.26 -2.19 113.62 113.08 3kr5 n SER 184 Ca -0.18 0.23 -0.27 0.00 -1.33 0.00 0.00 58.87 57.32 3kr5 n SER 184 Cb 0.52 -1.48 -0.07 0.00 -0.75 0.00 0.00 64.21 62.42 3kr5 n SER 184 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3kr5 s VAL 185 N 8.23 1.99 0.00 2.46 -7.23 -0.75 -4.25 120.40 120.85 3kr5 s VAL 185 Ca 1.03 -1.78 0.01 0.00 -1.81 0.00 0.00 61.98 59.43 3kr5 s VAL 185 Cb -0.46 -2.77 -0.01 0.00 0.56 0.00 0.00 36.38 33.70 3kr5 s VAL 185 CO 0.38 0.00 -0.02 0.00 -0.31 0.00 0.00 175.10 175.15 3kr5 s ALA 186 N -2.69 0.16 0.00 1.32 0.00 0.32 -2.46 121.76 118.42 3kr5 s ALA 186 Ca 0.33 -0.20 0.00 0.00 0.00 0.00 0.00 51.96 52.10 3kr5 s ALA 186 Cb 0.04 -0.00 -0.00 0.00 0.00 0.00 0.00 23.12 23.16 3kr5 s ALA 186 CO 0.18 -0.00 -0.02 0.08 0.00 0.00 0.00 175.76 176.01 3kr5 s VAL 187 N -0.35 0.13 0.00 0.00 1.01 -0.81 0.61 120.40 120.99 3kr5 s VAL 187 Ca -0.03 -0.15 0.00 0.00 0.00 0.00 0.00 61.98 61.81 3kr5 s VAL 187 Cb -0.03 -0.13 0.00 0.00 0.00 0.00 0.00 36.38 36.22 3kr5 s VAL 187 CO -0.00 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.69 3kr5 n GLY 188 N 2.90 1.90 3.19 4.51 0.00 -0.32 -0.96 105.19 116.42 3kr5 n GLY 188 Ca -0.13 -0.60 -0.10 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.16 0.87 -0.10 1.61 1.13 -0.96 0.11 117.35 117.84 3kr5 s TYR 189 Ca 0.00 -1.21 0.01 0.00 -1.41 0.00 0.00 57.07 54.46 3kr5 s TYR 189 Cb 0.00 -0.44 0.02 0.00 -1.10 0.00 0.00 41.96 40.44 3kr5 s TYR 189 CO 0.00 -0.58 -0.10 0.08 -2.51 0.00 0.00 175.55 172.44 3kr5 s VAL 190 N -4.07 1.13 0.35 -3.49 1.01 -0.00 -3.49 120.40 111.84 3kr5 s VAL 190 Ca 0.27 -0.39 -0.28 0.00 0.00 0.00 0.00 61.98 61.58 3kr5 s VAL 190 Cb 0.07 -1.10 -0.10 0.00 0.00 0.00 0.00 36.38 35.25 3kr5 s VAL 190 CO 0.04 0.38 1.25 -0.83 0.00 0.00 0.00 175.10 175.94 3kr5 s GLY 191 N 1.35 2.97 -0.23 4.51 0.00 0.71 -2.75 107.32 113.88 3kr5 s GLY 191 Ca -0.01 1.15 0.10 0.00 0.00 0.00 0.00 44.72 45.97 3kr5 s GLY 191 CO -0.05 1.76 1.21 0.00 0.00 0.00 0.00 173.10 176.02 3kr5 n GLY 193 N -0.92 0.06 2.41 0.00 0.00 0.11 -4.22 105.19 102.62 3kr5 n GLY 193 Ca 0.26 -0.94 -0.15 0.00 0.00 0.00 0.00 46.02 45.19 3kr5 n GLY 193 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3kr5 n SER 194 N -0.85 3.48 -3.49 1.61 3.41 -1.26 -0.65 113.62 115.87 3kr5 n SER 194 Ca 0.00 -3.08 -0.25 0.00 -0.26 0.00 0.00 58.87 55.28 3kr5 n SER 194 Cb 0.00 -0.42 -0.13 0.00 -0.26 0.00 0.00 64.21 63.40 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 -4.32 -0.19 0.58 -3.33 1.01 -1.26 -3.97 120.40 108.92 3kr5 s VAL 195 Ca 0.41 -0.64 0.28 0.00 0.00 0.00 0.00 61.98 62.02 3kr5 s VAL 195 Cb 0.38 -0.97 0.36 0.00 0.00 0.00 0.00 36.38 36.16 3kr5 s VAL 195 CO -0.02 -0.62 2.07 0.00 0.00 0.00 0.00 175.10 176.53 3kr5 h ALA 196 N 8.36 1.91 -1.69 5.51 0.00 -1.93 -3.30 119.26 128.11 3kr5 h ALA 196 Ca -0.18 -0.01 -0.69 0.00 0.00 0.00 0.00 54.91 54.03 3kr5 h ALA 196 Cb 1.04 0.02 -0.16 0.00 0.00 0.00 0.00 17.79 18.68 3kr5 h ALA 196 CO 0.40 -0.36 1.15 0.34 0.00 0.00 0.00 179.25 180.78 3kr5 s ASP 197 N -5.80 6.75 0.06 0.00 2.15 -1.26 -4.48 116.67 114.09 3kr5 s ASP 197 Ca -0.05 -2.27 -0.31 0.00 0.43 0.00 0.00 52.55 50.36 3kr5 s ASP 197 Cb 0.16 -2.43 -0.06 0.00 -0.30 0.00 0.00 42.92 40.29 3kr5 s ASP 197 CO 0.57 -1.03 1.24 -0.76 -0.17 0.00 0.00 175.17 175.01 3kr5 s LEU 198 N 2.74 4.37 0.59 -1.34 1.43 -1.24 -5.03 118.68 120.20 3kr5 s LEU 198 Ca 0.38 2.06 -0.04 0.00 -1.03 0.00 0.00 54.13 55.51 3kr5 s LEU 198 Cb -0.03 -3.58 0.02 0.00 0.03 0.00 0.00 46.19 42.63 3kr5 s LEU 198 CO -0.06 -0.51 0.88 -0.94 0.23 0.00 0.00 176.35 175.95 3kr5 s SER 199 N 1.11 5.39 0.26 2.29 1.04 -1.26 -4.86 113.70 117.67 3kr5 s SER 199 Ca 0.60 0.48 -0.02 0.00 0.48 0.00 0.00 55.95 57.49 3kr5 s SER 199 Cb -0.31 -1.41 0.55 0.00 0.10 0.00 0.00 66.02 64.95 3kr5 s SER 199 CO 0.29 -1.15 1.71 1.05 0.98 0.00 0.00 173.24 176.12 3kr5 h GLU 200 N -0.16 0.40 0.22 4.02 -0.00 -1.96 0.52 114.58 117.63 3kr5 h GLU 200 Ca -0.45 -0.02 0.01 0.00 -0.00 0.00 0.00 59.36 58.90 3kr5 h GLU 200 Cb 1.28 -0.09 -0.03 0.00 -0.00 0.00 0.00 28.75 29.91 3kr5 h GLU 200 CO 0.59 0.27 -0.28 0.00 -0.00 0.00 0.00 179.01 179.58 3kr5 h ALA 201 N 1.61 -0.55 -0.95 1.06 0.00 -1.94 0.89 119.26 119.38 3kr5 h ALA 201 Ca 0.46 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.30 3kr5 h ALA 201 Cb 0.78 0.43 -0.05 0.00 0.00 0.00 0.00 17.79 18.95 3kr5 h ALA 201 CO -0.46 -0.85 0.59 -0.44 0.00 0.00 0.00 179.25 178.09 3kr5 h ASP 202 N -0.56 1.13 0.11 0.00 3.32 -1.58 -0.43 116.42 118.42 3kr5 h ASP 202 Ca 0.01 -0.06 -0.09 0.00 0.02 0.00 0.00 57.03 56.91 3kr5 h ASP 202 Cb 0.54 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.79 3kr5 h ASP 202 CO -0.10 0.85 -0.30 -0.03 -1.72 0.00 0.00 179.24 177.95 3kr5 h MET 203 N 1.31 0.30 -0.77 3.56 4.05 0.32 -2.12 114.93 121.58 3kr5 h MET 203 Ca 0.34 -0.11 -0.04 0.00 -0.28 0.00 0.00 59.70 59.61 3kr5 h MET 203 Cb -0.08 -0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 30.66 3kr5 h MET 203 CO -0.07 0.58 0.33 -0.22 0.23 0.00 0.00 176.91 177.75 3kr5 h LYS 204 N 0.26 1.13 -0.52 0.39 3.64 0.77 0.26 116.57 122.51 3kr5 h LYS 204 Ca 0.04 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.21 3kr5 h LYS 204 Cb 0.67 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.27 3kr5 h LYS 204 CO 0.05 0.91 0.29 0.00 -2.27 0.00 0.00 179.45 178.43 3kr5 h ARG 205 N 1.10 0.70 0.06 1.90 3.08 -0.62 -0.75 114.38 119.84 3kr5 h ARG 205 Ca 0.26 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 60.24 3kr5 h ARG 205 Cb 0.19 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.09 3kr5 h ARG 205 CO -0.02 0.52 -0.03 0.28 -1.07 0.00 0.00 179.97 179.64 3kr5 h VAL 206 N 0.71 1.27 -0.55 2.04 2.07 -0.75 -0.92 116.25 120.12 3kr5 h VAL 206 Ca 0.18 -1.27 0.11 0.00 0.82 0.00 0.00 66.70 66.55 3kr5 h VAL 206 Cb 0.01 2.08 -0.09 0.00 -1.52 0.00 0.00 31.29 31.77 3kr5 h VAL 206 CO -0.03 0.31 0.01 0.58 0.02 0.00 0.00 177.57 178.46 3kr5 h VAL 207 N -0.66 0.57 -0.64 2.57 2.07 -0.39 -0.03 116.25 119.73 3kr5 h VAL 207 Ca -0.01 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.50 3kr5 h VAL 207 Cb 0.56 0.42 -0.04 0.00 -1.52 0.00 0.00 31.29 30.72 3kr5 h VAL 207 CO 0.01 0.02 0.39 -0.07 0.02 0.00 0.00 177.57 177.95 3kr5 h LEU 208 N 0.13 0.64 -0.49 2.57 4.07 -0.89 0.51 115.31 121.85 3kr5 h LEU 208 Ca 0.29 0.00 0.02 0.00 0.08 0.00 0.00 57.88 58.27 3kr5 h LEU 208 Cb 0.44 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 42.02 3kr5 h LEU 208 CO -0.46 0.44 0.30 -1.28 -1.08 0.00 0.00 178.44 176.36 3kr5 h SER 209 N 0.77 0.49 -0.61 -0.43 0.87 0.04 0.05 113.55 114.73 3kr5 h SER 209 Ca 0.26 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.78 3kr5 h SER 209 Cb 0.03 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 61.86 3kr5 h SER 209 CO -0.11 0.35 0.24 0.25 -0.53 0.00 0.00 176.83 177.03 3kr5 h LEU 210 N 0.60 0.87 -0.62 2.23 5.85 0.11 -2.38 115.31 121.97 3kr5 h LEU 210 Ca 0.19 -0.13 -0.15 0.00 0.84 0.00 0.00 57.88 58.64 3kr5 h LEU 210 Cb -0.00 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.79 3kr5 h LEU 210 CO -0.08 0.79 -0.65 0.58 -0.34 0.00 0.00 178.44 178.75 3kr5 h VAL 211 N 0.93 1.42 0.09 1.05 2.07 0.88 0.17 116.25 122.86 3kr5 h VAL 211 Ca 0.22 -2.11 0.01 0.00 0.82 0.00 0.00 66.70 65.64 3kr5 h VAL 211 Cb 0.20 2.10 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 3kr5 h VAL 211 CO -0.02 0.62 -0.13 0.74 0.02 0.00 0.00 177.57 178.80 3kr5 h THR 212 N 0.13 0.69 -0.29 2.57 2.02 -0.53 -0.71 112.91 116.79 3kr5 h THR 212 Ca -0.01 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.22 3kr5 h THR 212 Cb 1.16 0.69 -0.05 0.00 -1.74 0.00 0.00 68.15 68.21 3kr5 h THR 212 CO 0.10 0.00 -0.01 0.24 0.37 0.00 0.00 175.52 176.21 3kr5 h MET 213 N -0.27 0.07 -0.40 6.66 2.07 -0.86 -2.18 114.93 120.02 3kr5 h MET 213 Ca 0.02 -0.00 0.08 0.00 -2.07 0.00 0.00 59.70 57.73 3kr5 h MET 213 Cb 0.28 -0.02 -0.09 0.00 -1.87 0.00 0.00 31.60 29.91 3kr5 h MET 213 CO -0.07 0.04 -0.18 -0.07 1.07 0.00 0.00 176.91 177.71 3kr5 h LEU 214 N 0.07 -0.61 0.00 1.22 3.38 -0.52 -1.23 115.31 117.62 3kr5 h LEU 214 Ca 0.14 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3kr5 h LEU 214 Cb 0.19 0.34 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3kr5 h LEU 214 CO -0.24 -0.21 0.00 1.41 0.09 0.00 0.00 178.44 179.49 3kr5 n HIS 215 N -5.37 0.00 -1.32 1.13 8.25 -0.29 -1.00 115.22 116.63 3kr5 n HIS 215 Ca 0.02 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.53 3kr5 n HIS 215 Cb 0.28 -0.03 0.07 0.00 1.12 0.00 0.00 29.99 31.42 3kr5 n HIS 215 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3kr5 n ASP 216 N -1.03 1.28 -4.75 0.41 2.03 -0.52 -3.54 116.55 110.44 3kr5 n ASP 216 Ca 0.05 -2.44 -0.35 0.00 0.52 0.00 0.00 54.79 52.57 3kr5 n ASP 216 Cb 0.03 -0.28 -0.08 0.00 -0.72 0.00 0.00 41.12 40.07 3kr5 n ASP 216 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 3kr5 s ASN 217 N -1.81 6.19 0.00 1.67 2.47 -0.17 -4.75 114.94 118.54 3kr5 s ASN 217 Ca 0.15 0.26 0.20 0.00 0.42 0.00 0.00 52.86 53.89 3kr5 s ASN 217 Cb 0.13 -2.07 0.32 0.00 -1.45 0.00 0.00 41.25 38.18 3kr5 s ASN 217 CO 0.01 0.22 1.28 1.17 -3.72 0.00 0.00 177.10 176.06 3kr5 n LYS 218 N 3.28 2.23 -0.14 0.43 4.81 -1.26 -1.99 118.16 125.50 3kr5 n LYS 218 Ca -0.17 -2.05 0.00 0.00 -0.87 0.00 0.00 58.31 55.23 3kr5 n LYS 218 Cb 0.52 -1.44 0.00 0.00 0.02 0.00 0.00 35.03 34.14 3kr5 n LYS 218 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3kr5 n LEU 219 N 1.26 0.00 0.00 3.14 4.77 -1.26 -4.54 117.00 120.37 3kr5 n LEU 219 Ca 0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 3kr5 n LEU 219 Cb 0.54 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.63 3kr5 n LEU 219 CO 0.14 -0.15 -0.24 -1.54 -1.33 0.00 0.00 177.39 174.26 3kr5 n SER 220 N -0.89 2.45 -3.99 -1.43 3.41 -1.26 -4.03 113.62 107.88 3kr5 n SER 220 Ca 0.00 -0.14 -0.21 0.00 -0.26 0.00 0.00 58.87 58.26 3kr5 n SER 220 Cb 0.00 0.76 -0.16 0.00 -0.26 0.00 0.00 64.21 64.55 3kr5 n SER 220 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 3kr5 s LYS 221 N -1.25 1.12 -0.14 4.33 2.20 -1.26 0.65 119.74 125.38 3kr5 s LYS 221 Ca 0.00 -0.29 -0.04 0.00 -0.36 0.00 0.00 55.97 55.28 3kr5 s LYS 221 Cb 0.00 -1.01 -0.03 0.00 -1.51 0.00 0.00 37.83 35.28 3kr5 s LYS 221 CO 0.00 0.05 -0.01 -1.17 -0.36 0.00 0.00 175.35 173.86 3kr5 s LEU 222 N 0.45 3.40 -0.24 5.43 2.96 -0.16 -0.37 118.68 130.16 3kr5 s LEU 222 Ca -0.08 -0.04 0.01 0.00 -0.22 0.00 0.00 54.13 53.81 3kr5 s LEU 222 Cb -0.12 -1.82 0.06 0.00 0.50 0.00 0.00 46.19 44.82 3kr5 s LEU 222 CO 0.01 0.22 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.29 3kr5 s THR 223 N 0.08 1.76 -0.25 3.68 2.01 0.26 0.57 115.64 123.76 3kr5 s THR 223 Ca 0.01 -1.33 -0.10 0.00 0.31 0.00 0.00 61.69 60.58 3kr5 s THR 223 Cb -0.13 -1.94 -0.05 0.00 0.01 0.00 0.00 72.50 70.39 3kr5 s THR 223 CO 0.02 -0.04 0.15 -0.69 -0.69 0.00 0.00 174.62 173.37 3kr5 s VAL 224 N 1.30 5.21 -0.38 3.82 1.01 0.47 0.20 120.40 132.02 3kr5 s VAL 224 Ca -0.06 0.13 -0.08 0.00 0.00 0.00 0.00 61.98 61.97 3kr5 s VAL 224 Cb -0.19 -3.44 0.06 0.00 0.00 0.00 0.00 36.38 32.81 3kr5 s VAL 224 CO -0.06 0.33 0.18 -0.69 0.00 0.00 0.00 175.10 174.86 3kr5 s VAL 225 N 1.25 4.01 -0.73 2.92 1.01 -0.22 -0.98 120.40 127.66 3kr5 s VAL 225 Ca 0.07 -1.27 -0.27 0.00 0.00 0.00 0.00 61.98 60.51 3kr5 s VAL 225 Cb -0.14 -3.37 0.03 0.00 0.00 0.00 0.00 36.38 32.89 3kr5 s VAL 225 CO 0.06 -0.35 1.31 -0.36 0.00 0.00 0.00 175.10 175.76 3kr5 s PHE 226 N 1.41 2.25 -0.55 5.22 0.40 0.35 -0.33 117.98 126.74 3kr5 s PHE 226 Ca 0.01 -0.00 0.01 0.00 -0.60 0.00 0.00 56.93 56.35 3kr5 s PHE 226 Cb -0.21 -4.60 0.53 0.00 0.51 0.00 0.00 43.02 39.24 3kr5 s PHE 226 CO 0.02 -2.09 1.91 0.39 0.70 0.00 0.00 175.22 176.16 3kr5 n GLU 227 N 9.36 2.54 -4.01 0.44 1.02 -0.34 -4.66 120.64 125.00 3kr5 n GLU 227 Ca 0.04 -3.24 -0.09 0.00 -0.02 0.00 0.00 57.16 53.85 3kr5 n GLU 227 Cb 0.49 -2.22 -0.08 0.00 -0.02 0.00 0.00 31.44 29.60 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 -4.21 0.12 -0.18 -3.67 -4.36 -1.25 -4.39 121.20 103.27 3kr5 s ILE 228 Ca 0.60 -1.55 -0.15 0.00 -0.26 0.00 0.00 60.65 59.29 3kr5 s ILE 228 Cb 0.49 -1.72 -0.04 0.00 1.25 0.00 0.00 42.46 42.43 3kr5 s ILE 228 CO 0.03 -0.54 0.36 0.21 0.24 0.00 0.00 174.94 175.24 3kr5 s ASN 229 N -2.96 6.46 -0.09 4.36 2.47 -1.26 -4.99 114.94 118.93 3kr5 s ASN 229 Ca 0.14 0.54 -0.04 0.00 0.42 0.00 0.00 52.86 53.92 3kr5 s ASN 229 Cb 0.06 -2.22 0.05 0.00 -1.45 0.00 0.00 41.25 37.68 3kr5 s ASN 229 CO -0.04 0.00 0.21 0.68 -3.72 0.00 0.00 177.10 174.23 3kr5 s VAL 230 N 0.91 -0.09 1.42 -5.21 -7.23 -1.26 -4.60 120.40 104.34 3kr5 s VAL 230 Ca 0.19 0.18 -0.22 0.00 -1.81 0.00 0.00 61.98 60.32 3kr5 s VAL 230 Cb -0.14 -0.33 0.36 0.00 0.56 0.00 0.00 36.38 36.83 3kr5 s VAL 230 CO 0.07 0.08 0.93 1.51 -0.31 0.00 0.00 175.10 177.37 3kr5 s ASP 231 N 1.40 -1.03 0.15 4.85 -4.77 -1.26 -4.74 116.67 111.27 3kr5 s ASP 231 Ca -0.08 0.92 -0.16 0.00 -3.30 0.00 0.00 52.55 49.93 3kr5 s ASP 231 Cb -0.11 -1.32 0.01 0.00 -1.09 0.00 0.00 42.92 40.41 3kr5 s ASP 231 CO -0.08 -5.35 1.81 0.11 0.70 0.00 0.00 175.17 172.36 3kr5 h LYS 232 N -3.41 0.48 -0.22 2.11 1.57 -1.99 -1.72 116.57 113.39 3kr5 h LYS 232 Ca -0.45 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.28 3kr5 h LYS 232 Cb 1.34 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.53 3kr5 h LYS 232 CO 0.30 0.32 0.04 -0.91 -0.57 0.00 0.00 179.45 178.63 3kr5 h ASN 233 N 0.50 0.34 -0.52 0.86 2.35 -1.92 0.02 115.58 117.21 3kr5 h ASN 233 Ca 0.14 -0.25 -0.00 0.00 -0.55 0.00 0.00 56.30 55.65 3kr5 h ASN 233 Cb -0.04 -0.09 -0.03 0.00 0.05 0.00 0.00 38.32 38.21 3kr5 h ASN 233 CO -0.04 0.50 0.32 0.25 -1.65 0.00 0.00 177.43 176.81 3kr5 h LEU 234 N 0.17 0.62 -0.12 1.61 5.85 -1.89 0.48 115.31 122.02 3kr5 h LEU 234 Ca 0.07 -0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.67 3kr5 h LEU 234 Cb 0.30 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.17 3kr5 h LEU 234 CO 0.00 0.47 -0.26 0.15 -0.34 0.00 0.00 178.44 178.47 3kr5 h PHE 235 N 0.72 0.49 -0.39 1.25 3.57 -0.79 0.25 116.94 122.05 3kr5 h PHE 235 Ca 0.19 -0.18 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3kr5 h PHE 235 Cb -0.04 -0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 3kr5 h PHE 235 CO 0.00 0.88 0.25 -0.09 -2.23 0.00 0.00 178.31 177.11 3kr5 h ARG 236 N -0.03 0.51 -0.97 1.11 2.43 -0.61 0.15 114.38 116.96 3kr5 h ARG 236 Ca 0.00 -0.04 0.25 0.00 -0.81 0.00 0.00 59.98 59.38 3kr5 h ARG 236 Cb 0.86 -0.11 -0.07 0.00 -0.42 0.00 0.00 29.97 30.23 3kr5 h ARG 236 CO 0.06 0.36 0.66 0.35 -1.51 0.00 0.00 179.97 179.89 3kr5 h PHE 237 N 0.51 0.39 0.51 2.20 3.57 0.34 0.23 116.94 124.69 3kr5 h PHE 237 Ca 0.14 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 3kr5 h PHE 237 Cb -0.03 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.60 3kr5 h PHE 237 CO -0.04 0.07 -0.24 0.35 -2.23 0.00 0.00 178.31 176.21 3kr5 h PHE 238 N 0.26 -0.63 -0.17 0.41 3.57 0.14 -0.42 116.94 120.09 3kr5 h PHE 238 Ca 0.51 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 62.03 3kr5 h PHE 238 Cb 1.52 0.21 -0.07 0.00 2.79 0.00 0.00 35.95 40.40 3kr5 h PHE 238 CO -0.00 -0.31 -0.48 -0.07 -2.23 0.00 0.00 178.31 175.21 3kr5 h LEU 239 N -1.01 -1.54 -0.29 0.59 4.07 -0.05 1.02 115.31 118.11 3kr5 h LEU 239 Ca -0.07 0.20 0.05 0.00 0.08 0.00 0.00 57.88 58.13 3kr5 h LEU 239 Cb 0.61 0.62 -0.08 0.00 1.08 0.00 0.00 40.66 42.89 3kr5 h LEU 239 CO 0.11 -0.45 -0.52 -0.33 -1.08 0.00 0.00 178.44 176.18 3kr5 h GLU 240 N -0.52 -0.44 -0.83 1.13 5.08 -0.66 0.18 114.58 118.52 3kr5 h GLU 240 Ca 0.06 0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 3kr5 h GLU 240 Cb 0.65 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.96 3kr5 h GLU 240 CO -0.44 -0.30 0.46 1.15 -1.00 0.00 0.00 179.01 178.89 3kr5 h THR 241 N -0.46 1.24 -0.06 1.13 2.02 -0.17 0.24 112.91 116.85 3kr5 h THR 241 Ca 0.07 -0.58 0.04 0.00 0.77 0.00 0.00 66.41 66.71 3kr5 h THR 241 Cb 0.63 0.12 -0.05 0.00 -1.74 0.00 0.00 68.15 67.11 3kr5 h THR 241 CO -0.52 0.26 -0.30 0.25 0.37 0.00 0.00 175.52 175.58 3kr5 h LEU 242 N 1.14 -0.92 -0.73 2.58 5.85 0.16 -0.64 115.31 122.76 3kr5 h LEU 242 Ca 0.29 0.13 -0.07 0.00 0.84 0.00 0.00 57.88 59.07 3kr5 h LEU 242 Cb 0.01 0.38 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 3kr5 h LEU 242 CO -0.05 -0.36 0.15 -0.26 -0.34 0.00 0.00 178.44 177.58 3kr5 h PHE 243 N -0.42 1.18 0.42 1.25 0.04 0.82 -0.45 116.94 119.78 3kr5 h PHE 243 Ca 0.08 -0.15 -0.02 0.00 2.80 0.00 0.00 57.97 60.68 3kr5 h PHE 243 Cb 0.53 -0.33 0.00 0.00 2.20 0.00 0.00 35.95 38.36 3kr5 h PHE 243 CO -0.36 0.97 -0.20 -0.92 -0.60 0.00 0.00 178.31 177.20 3kr5 h TYR 244 N 1.05 -0.52 -0.29 -0.55 3.20 -0.39 -2.10 116.97 117.37 3kr5 h TYR 244 Ca 0.22 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.09 3kr5 h TYR 244 Cb 0.40 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.81 3kr5 h TYR 244 CO 0.03 -0.20 0.14 0.93 -1.64 0.00 0.00 178.16 177.43 3kr5 h GLU 245 N -0.89 0.29 -0.49 1.82 4.39 -1.04 -3.03 114.58 115.62 3kr5 h GLU 245 Ca -0.06 -0.02 0.10 0.00 0.34 0.00 0.00 59.36 59.72 3kr5 h GLU 245 Cb 0.56 -0.06 -0.10 0.00 -0.10 0.00 0.00 28.75 29.04 3kr5 h GLU 245 CO 0.09 0.19 -0.22 -0.92 -1.16 0.00 0.00 179.01 177.00 3kr5 h TYR 246 N 0.30 -0.55 -2.22 4.33 3.20 -1.04 -3.40 116.97 117.59 3kr5 h TYR 246 Ca 0.12 0.05 -0.59 0.00 3.14 0.00 0.00 58.73 61.46 3kr5 h TYR 246 Cb 0.04 0.32 0.05 0.00 1.54 0.00 0.00 36.73 38.68 3kr5 h TYR 246 CO -0.10 -0.30 0.90 -0.12 -1.64 0.00 0.00 178.16 176.90 3kr5 n MET 247 N -5.40 2.20 -4.33 1.82 1.56 -0.79 -4.99 117.12 107.18 3kr5 n MET 247 Ca 0.04 0.80 -0.27 0.00 -0.27 0.00 0.00 57.70 57.99 3kr5 n MET 247 Cb 0.31 -2.60 -0.10 0.00 2.15 0.00 0.00 33.22 32.98 3kr5 n MET 247 CO 0.00 0.00 0.00 -0.08 -0.73 0.00 0.00 175.97 175.16 3kr5 s THR 248 N 1.90 2.89 -0.81 1.12 -1.32 -1.26 -4.95 115.64 113.21 3kr5 s THR 248 Ca 0.83 -1.75 -0.01 0.00 -1.21 0.00 0.00 61.69 59.54 3kr5 s THR 248 Cb -0.67 -2.41 0.20 0.00 -1.51 0.00 0.00 72.50 68.11 3kr5 s THR 248 CO 0.42 -0.08 0.67 -0.62 -2.21 0.00 0.00 174.62 172.79 3kr5 s ASP 249 N -2.69 5.69 0.05 8.08 2.15 -1.26 -4.90 116.67 123.79 3kr5 s ASP 249 Ca 0.23 -3.52 0.22 0.00 0.43 0.00 0.00 52.55 49.91 3kr5 s ASP 249 Cb -0.09 -1.87 0.91 0.00 -0.30 0.00 0.00 42.92 41.57 3kr5 s ASP 249 CO 0.13 -0.22 1.69 -0.62 -0.17 0.00 0.00 175.17 175.98 3kr5 n GLU 250 N 2.58 0.05 -0.27 4.34 -0.58 -1.26 -4.38 120.64 121.13 3kr5 n GLU 250 Ca 0.18 0.18 0.24 0.00 -0.42 0.00 0.00 57.16 57.33 3kr5 n GLU 250 Cb 0.37 -1.57 0.42 0.00 -0.57 0.00 0.00 31.44 30.08 3kr5 n GLU 250 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3kr5 n ARG 251 N -1.66 -0.03 -0.26 3.49 1.74 -1.26 0.14 116.66 118.83 3kr5 n ARG 251 Ca 0.05 0.84 0.07 0.00 -0.77 0.00 0.00 57.85 58.03 3kr5 n ARG 251 Cb 0.26 -1.59 0.18 0.00 -1.02 0.00 0.00 32.46 30.29 3kr5 n ARG 251 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3kr5 n PHE 252 N -4.14 0.58 -1.77 -1.55 3.01 -1.26 -4.99 117.46 107.33 3kr5 n PHE 252 Ca 0.25 -0.68 -0.29 0.00 1.01 0.00 0.00 57.45 57.74 3kr5 n PHE 252 Cb 0.94 -0.15 0.08 0.00 -0.01 0.00 0.00 39.48 40.35 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 -1.82 2.14 -0.02 -1.08 -0.14 0.38 -5.26 119.74 113.94 3kr5 s LYS 253 Ca 0.29 0.35 0.16 0.00 -1.36 0.00 0.00 55.97 55.40 3kr5 s LYS 253 Cb 0.20 -1.95 -0.22 0.00 -1.68 0.00 0.00 37.83 34.18 3kr5 s LYS 253 CO 0.11 -1.52 0.43 -1.13 -0.76 0.00 0.00 175.35 172.49 3kr5 n SER 254 N -3.31 1.20 0.00 2.83 3.41 -1.26 -5.09 113.62 111.39 3kr5 n SER 254 Ca 0.07 -0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.43 3kr5 n SER 254 Cb 0.59 1.51 0.00 0.00 -0.26 0.00 0.00 64.21 66.05 3kr5 n SER 254 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3kr5 n ASN 260 N -1.85 0.00 -2.64 4.04 2.04 -1.26 -5.24 115.26 110.36 3kr5 n ASN 260 Ca -0.01 0.00 -0.12 0.00 -0.44 0.00 0.00 54.58 54.01 3kr5 n ASN 260 Cb 0.36 0.00 -0.03 0.00 -2.53 0.00 0.00 39.78 37.58 3kr5 n ASN 260 CO 0.00 0.00 0.00 1.15 -0.44 0.00 0.00 177.26 177.97 3kr5 n MET 261 N 0.00 0.93 -3.64 -3.83 3.85 -1.23 -4.27 117.12 108.93 3kr5 n MET 261 Ca 0.00 -1.51 -0.08 0.00 -1.00 0.00 0.00 57.70 55.11 3kr5 n MET 261 Cb 0.00 0.73 -0.07 0.00 -1.05 0.00 0.00 33.22 32.83 3kr5 n MET 261 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 175.97 173.97 3kr5 s GLU 262 N -2.69 0.66 0.12 3.17 2.56 -0.84 -4.85 118.70 116.82 3kr5 s GLU 262 Ca 0.07 1.00 -0.32 0.00 0.00 0.00 0.00 54.97 55.72 3kr5 s GLU 262 Cb 0.00 0.21 -0.12 0.00 2.00 0.00 0.00 34.13 36.23 3kr5 s GLU 262 CO 0.05 -0.11 1.79 0.66 -0.56 0.00 0.00 175.26 177.08 3kr5 n TYR 263 N 3.54 2.55 -1.03 5.30 4.01 -1.26 -4.51 117.16 125.76 3kr5 n TYR 263 Ca -0.17 -0.04 -0.33 0.00 -0.16 0.00 0.00 57.90 57.19 3kr5 n TYR 263 Cb 0.57 -2.69 0.13 0.00 -0.31 0.00 0.00 39.34 37.05 3kr5 n TYR 263 CO 0.00 0.00 0.00 0.44 -0.46 0.00 0.00 176.86 176.84 3kr5 n ILE 264 N 4.46 1.65 0.14 -0.72 -5.35 -1.26 -4.79 119.36 113.48 3kr5 n ILE 264 Ca 0.18 -0.17 0.01 0.00 -0.27 0.00 0.00 62.75 62.50 3kr5 n ILE 264 Cb 0.35 -1.15 -0.01 0.00 -1.74 0.00 0.00 39.64 37.09 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 -3.39 4.77 -4.26 6.28 4.76 0.21 -4.66 118.16 121.87 3kr5 n LYS 265 Ca 0.13 -0.14 -0.18 0.00 -2.87 0.00 0.00 58.31 55.25 3kr5 n LYS 265 Cb 0.51 -0.72 -0.15 0.00 -1.84 0.00 0.00 35.03 32.83 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 -1.08 0.70 -0.21 2.13 3.76 -0.55 -1.08 115.29 118.96 3kr5 s HIS 266 Ca 0.02 -0.15 0.02 0.00 -0.15 0.00 0.00 55.06 54.79 3kr5 s HIS 266 Cb 0.02 -0.50 0.04 0.00 1.11 0.00 0.00 32.58 33.25 3kr5 s HIS 266 CO 0.10 -0.06 -0.13 -1.17 -0.85 0.00 0.00 174.74 172.63 3kr5 s LEU 267 N 0.13 2.61 -0.02 0.89 2.96 0.47 -0.98 118.68 124.73 3kr5 s LEU 267 Ca -0.01 -0.99 -0.11 0.00 -0.22 0.00 0.00 54.13 52.79 3kr5 s LEU 267 Cb -0.06 -1.39 -0.05 0.00 0.50 0.00 0.00 46.19 45.19 3kr5 s LEU 267 CO -0.00 -0.13 0.32 -0.83 -1.32 0.00 0.00 176.35 174.39 3kr5 s GLY 268 N 1.28 2.35 -0.12 7.98 0.00 0.19 -0.89 107.32 118.12 3kr5 s GLY 268 Ca -0.02 -0.39 -0.00 0.00 0.00 0.00 0.00 44.72 44.30 3kr5 s GLY 268 CO -0.08 -0.09 -0.07 0.14 0.00 0.00 0.00 173.10 172.99 3kr5 s VAL 269 N -1.13 1.02 -0.38 1.40 1.01 0.13 -0.40 120.40 122.05 3kr5 s VAL 269 Ca 0.23 -0.31 -0.13 0.00 0.00 0.00 0.00 61.98 61.77 3kr5 s VAL 269 Cb -0.15 -1.06 0.02 0.00 0.00 0.00 0.00 36.38 35.19 3kr5 s VAL 269 CO 0.12 0.34 0.25 -0.31 0.00 0.00 0.00 175.10 175.50 3kr5 s TYR 270 N 1.71 3.24 -0.01 5.22 1.51 -0.15 -0.06 117.35 128.81 3kr5 s TYR 270 Ca 0.05 -0.71 -0.01 0.00 -1.01 0.00 0.00 57.07 55.38 3kr5 s TYR 270 Cb -0.13 -2.51 0.00 0.00 -0.11 0.00 0.00 41.96 39.22 3kr5 s TYR 270 CO -0.08 -0.59 0.02 -1.50 -1.11 0.00 0.00 175.55 172.29 3kr5 s ILE 271 N 1.63 0.01 0.31 2.71 2.07 -0.85 -0.49 121.20 126.59 3kr5 s ILE 271 Ca 0.04 -0.08 -0.30 0.00 -1.41 0.00 0.00 60.65 58.90 3kr5 s ILE 271 Cb -0.19 -0.07 -0.11 0.00 0.13 0.00 0.00 42.46 42.22 3kr5 s ILE 271 CO 0.08 -0.04 1.58 -3.20 -1.91 0.00 0.00 174.94 171.45 3kr5 n ASN 272 N 2.93 3.89 -1.27 4.50 5.15 -1.26 -2.25 115.26 126.95 3kr5 n ASN 272 Ca -0.13 1.17 -0.08 0.00 -0.60 0.00 0.00 54.58 54.93 3kr5 n ASN 272 Cb 0.59 -1.61 0.01 0.00 -0.53 0.00 0.00 39.78 38.25 3kr5 n ASN 272 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3kr5 n ASN 273 N 1.78 -3.25 -0.33 1.20 4.13 -1.26 -4.94 115.26 112.59 3kr5 n ASN 273 Ca 0.07 -0.10 0.26 0.00 1.68 0.00 0.00 54.58 56.49 3kr5 n ASN 273 Cb 0.37 -2.20 0.51 0.00 -1.54 0.00 0.00 39.78 36.92 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 0.38 2.02 -0.94 5.41 0.00 -1.69 -0.62 119.26 123.82 3kr5 h ALA 274 Ca -0.20 0.21 0.09 0.00 0.00 0.00 0.00 54.91 55.00 3kr5 h ALA 274 Cb 1.14 0.20 -0.07 0.00 0.00 0.00 0.00 17.79 19.06 3kr5 h ALA 274 CO 0.22 -0.68 0.61 -0.44 0.00 0.00 0.00 179.25 178.95 3kr5 h ASP 275 N 0.24 0.90 0.44 0.00 3.32 -1.89 -1.78 116.42 117.65 3kr5 h ASP 275 Ca 0.77 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.83 3kr5 h ASP 275 Cb 1.83 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 41.21 3kr5 h ASP 275 CO -0.65 0.55 0.00 0.35 -1.72 0.00 0.00 179.24 177.77 3kr5 n THR 276 N -4.53 0.91 -0.01 0.35 -2.24 -0.24 -3.41 114.28 105.11 3kr5 n THR 276 Ca 0.15 0.23 0.05 0.00 -2.27 0.00 0.00 64.05 62.21 3kr5 n THR 276 Cb 0.26 -0.98 -0.10 0.00 -2.10 0.00 0.00 70.33 67.41 3kr5 n THR 276 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3kr5 n TYR 277 N -1.45 0.00 -0.20 4.78 4.01 -0.68 -4.56 117.16 119.07 3kr5 n TYR 277 Ca 0.04 0.00 0.17 0.00 -0.16 0.00 0.00 57.90 57.95 3kr5 n TYR 277 Cb 0.15 -0.33 0.50 0.00 -0.31 0.00 0.00 39.34 39.35 3kr5 n TYR 277 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 3kr5 h LYS 278 N 0.00 0.42 0.00 -0.72 1.57 -1.55 0.13 116.57 116.41 3kr5 h LYS 278 Ca -0.05 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 3kr5 h LYS 278 Cb 0.75 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.97 3kr5 h LYS 278 CO 0.00 0.27 -0.01 1.05 -0.57 0.00 0.00 179.45 180.20 3kr5 h GLU 279 N 0.43 0.00 0.00 3.15 4.11 -1.82 -2.78 114.58 117.67 3kr5 h GLU 279 Ca 0.41 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.75 3kr5 h GLU 279 Cb 0.96 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 3kr5 h GLU 279 CO -0.14 0.01 -0.43 0.93 0.07 0.00 0.00 179.01 179.45 3kr5 h GLU 280 N 0.00 0.00 0.33 1.06 4.39 -1.26 -3.33 114.58 115.77 3kr5 h GLU 280 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3kr5 h GLU 280 Cb 0.56 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.18 3kr5 h GLU 280 CO 0.00 0.43 -0.42 0.28 -1.16 0.00 0.00 179.01 178.13 3kr5 h VAL 281 N 0.00 0.15 0.00 3.13 2.07 -1.55 0.27 116.25 120.33 3kr5 h VAL 281 Ca -0.00 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.41 3kr5 h VAL 281 Cb 1.06 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 3kr5 h VAL 281 CO 0.06 0.00 -0.49 -0.33 0.02 0.00 0.00 177.57 176.83 3kr5 h GLU 282 N -0.80 0.00 -0.09 1.57 4.39 -1.77 -1.40 114.58 116.49 3kr5 h GLU 282 Ca -0.02 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 3kr5 h GLU 282 Cb 0.74 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.38 3kr5 h GLU 282 CO -0.12 0.49 0.04 -0.22 -1.16 0.00 0.00 179.01 178.04 3kr5 h LYS 283 N 0.00 0.13 -0.77 2.33 3.64 -1.61 -0.99 116.57 119.30 3kr5 h LYS 283 Ca -0.00 -0.02 0.11 0.00 -1.27 0.00 0.00 60.65 59.47 3kr5 h LYS 283 Cb 0.98 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.70 3kr5 h LYS 283 CO 0.06 0.20 0.39 0.00 -2.27 0.00 0.00 179.45 177.83 3kr5 h ALA 284 N 0.92 1.10 -0.67 5.00 0.00 -0.07 0.34 119.26 125.89 3kr5 h ALA 284 Ca 0.03 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 3kr5 h ALA 284 Cb 0.11 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3kr5 h ALA 284 CO -0.00 -0.05 0.09 -0.09 0.00 0.00 0.00 179.25 179.20 3kr5 h ARG 285 N 0.62 1.12 -0.08 0.00 2.43 -0.93 0.72 114.38 118.26 3kr5 h ARG 285 Ca 0.40 -0.31 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 3kr5 h ARG 285 Cb 0.47 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.89 3kr5 h ARG 285 CO -0.31 1.03 0.01 0.28 -1.51 0.00 0.00 179.97 179.48 3kr5 h VAL 286 N 1.04 1.21 -0.24 0.20 2.07 -0.30 -1.40 116.25 118.83 3kr5 h VAL 286 Ca 0.20 -0.65 0.03 0.00 0.82 0.00 0.00 66.70 67.11 3kr5 h VAL 286 Cb 0.47 1.49 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 3kr5 h VAL 286 CO 0.02 0.18 0.03 1.88 0.02 0.00 0.00 177.57 179.70 3kr5 h TYR 287 N -0.10 0.05 -0.54 1.57 -1.99 -0.06 0.11 116.97 116.00 3kr5 h TYR 287 Ca 0.02 0.02 0.09 0.00 2.00 0.00 0.00 58.73 60.86 3kr5 h TYR 287 Cb 0.28 0.01 -0.11 0.00 2.00 0.00 0.00 36.73 38.91 3kr5 h TYR 287 CO 0.01 0.00 -0.36 -0.92 -0.00 0.00 0.00 178.16 176.89 3kr5 h TYR 288 N 0.11 -1.03 -0.16 4.88 3.20 0.56 -1.23 116.97 123.30 3kr5 h TYR 288 Ca 0.11 0.07 -0.17 0.00 3.14 0.00 0.00 58.73 61.88 3kr5 h TYR 288 Cb 0.12 0.53 -0.00 0.00 1.54 0.00 0.00 36.73 38.92 3kr5 h TYR 288 CO -0.17 -0.40 -0.60 0.35 -1.64 0.00 0.00 178.16 175.71 3kr5 h PHE 289 N -0.21 0.70 -0.60 -3.82 3.57 -0.30 0.34 116.94 116.62 3kr5 h PHE 289 Ca 0.20 -0.26 0.09 0.00 3.53 0.00 0.00 57.97 61.53 3kr5 h PHE 289 Cb 0.56 -0.13 -0.07 0.00 2.79 0.00 0.00 35.95 39.10 3kr5 h PHE 289 CO -0.64 1.00 0.23 0.78 -2.23 0.00 0.00 178.31 177.46 3kr5 h GLY 290 N 1.07 0.84 0.73 2.40 0.00 -0.76 0.63 103.07 107.99 3kr5 h GLY 290 Ca -0.00 -0.13 -0.05 0.00 0.00 0.00 0.00 47.33 47.15 3kr5 h GLY 290 CO 0.11 -0.00 -0.09 -0.84 0.00 0.00 0.00 176.54 175.72 3kr5 h THR 291 N 0.42 1.33 -0.25 4.70 2.02 -0.59 -1.81 112.91 118.72 3kr5 h THR 291 Ca 0.30 -1.17 -0.07 0.00 0.77 0.00 0.00 66.41 66.23 3kr5 h THR 291 Cb 0.35 1.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 3kr5 h THR 291 CO -0.29 0.34 -0.16 0.22 0.37 0.00 0.00 175.52 176.00 3kr5 h TYR 292 N -0.04 0.47 -0.47 3.16 3.20 -0.03 0.05 116.97 123.30 3kr5 h TYR 292 Ca 0.03 -0.07 -0.07 0.00 3.14 0.00 0.00 58.73 61.75 3kr5 h TYR 292 Cb 0.58 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.71 3kr5 h TYR 292 CO 0.07 0.58 0.01 -0.92 -1.64 0.00 0.00 178.16 176.25 3kr5 h TYR 293 N 0.40 0.90 -0.13 -3.82 3.20 0.40 0.19 116.97 118.12 3kr5 h TYR 293 Ca 0.07 -0.15 0.00 0.00 3.14 0.00 0.00 58.73 61.79 3kr5 h TYR 293 Cb 0.51 -0.24 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 3kr5 h TYR 293 CO 0.01 0.86 0.08 0.00 -1.64 0.00 0.00 178.16 177.47 3kr5 h ALA 294 N 0.92 0.16 -0.50 1.82 0.00 -0.79 -2.15 119.26 118.72 3kr5 h ALA 294 Ca 0.13 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.14 3kr5 h ALA 294 Cb 0.50 -0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.14 3kr5 h ALA 294 CO 0.02 -0.36 -0.23 1.03 0.00 0.00 0.00 179.25 179.71 3kr5 h SER 295 N 0.16 -0.81 -0.87 0.00 0.87 -0.75 0.13 113.55 112.27 3kr5 h SER 295 Ca 0.05 0.18 0.09 0.00 -1.23 0.00 0.00 61.79 60.88 3kr5 h SER 295 Cb -0.01 0.44 -0.07 0.00 -0.44 0.00 0.00 62.40 62.31 3kr5 h SER 295 CO -0.02 -0.26 0.53 1.56 -0.53 0.00 0.00 176.83 178.11 3kr5 h GLN 296 N -0.12 0.87 -0.17 2.24 4.20 -0.35 0.21 115.11 121.99 3kr5 h GLN 296 Ca 0.23 -0.05 -0.03 0.00 0.06 0.00 0.00 58.65 58.86 3kr5 h GLN 296 Cb 0.48 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 3kr5 h GLN 296 CO -0.57 0.58 0.00 -0.07 -0.67 0.00 0.00 178.83 178.10 3kr5 h LEU 297 N 0.90 0.30 -0.11 1.46 3.38 -0.45 -2.14 115.31 118.65 3kr5 h LEU 297 Ca 0.41 -0.30 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 3kr5 h LEU 297 Cb 0.31 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3kr5 h LEU 297 CO -0.22 0.53 0.06 0.40 0.09 0.00 0.00 178.44 179.29 3kr5 h ILE 298 N 0.06 1.09 -0.09 1.22 2.04 -0.17 -2.76 117.51 118.90 3kr5 h ILE 298 Ca 0.05 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 3kr5 h ILE 298 Cb 0.37 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.51 3kr5 h ILE 298 CO 0.01 0.08 -0.12 0.00 0.00 0.00 0.00 178.15 178.12 3kr5 h ALA 299 N 0.96 1.64 -2.24 1.87 0.00 -0.63 -3.41 119.26 117.45 3kr5 h ALA 299 Ca 0.04 -0.16 -0.58 0.00 0.00 0.00 0.00 54.91 54.21 3kr5 h ALA 299 Cb 0.08 -0.06 0.03 0.00 0.00 0.00 0.00 17.79 17.84 3kr5 h ALA 299 CO -0.01 0.27 1.04 0.00 0.00 0.00 0.00 179.25 180.55 3kr5 n ALA 300 N -2.50 1.40 -0.95 0.00 0.00 -0.81 -4.93 120.51 112.73 3kr5 n ALA 300 Ca -0.01 0.33 -0.30 0.00 0.00 0.00 0.00 53.44 53.45 3kr5 n ALA 300 Cb 0.23 -2.50 0.17 0.00 0.00 0.00 0.00 19.45 17.35 3kr5 n ALA 300 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3kr5 s PRO 301 N 2.98 0.77 0.50 0.00 0.02 -1.26 -4.47 135.00 133.54 3kr5 s PRO 301 Ca 0.86 1.01 0.29 0.00 0.02 0.00 0.00 61.00 63.18 3kr5 s PRO 301 Cb -0.61 -1.74 1.11 0.00 0.02 0.00 0.00 34.50 33.28 3kr5 s PRO 301 CO 0.44 -2.63 1.89 0.77 -0.33 0.00 0.00 177.00 177.14 3kr5 h SER 302 N -1.84 0.00 0.39 2.53 0.02 -1.82 0.58 113.55 113.41 3kr5 h SER 302 Ca -0.50 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.32 3kr5 h SER 302 Cb 1.29 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.81 3kr5 h SER 302 CO 0.51 0.09 -0.52 -0.55 -1.14 0.00 0.00 176.83 175.21 3kr5 h ASN 303 N 0.00 0.17 0.00 3.07 -1.07 -1.93 -3.29 115.58 112.52 3kr5 h ASN 303 Ca -0.00 -0.08 -0.05 0.00 0.07 0.00 0.00 56.30 56.24 3kr5 h ASN 303 Cb 0.65 -0.05 -0.01 0.00 -2.07 0.00 0.00 38.32 36.84 3kr5 h ASN 303 CO 0.01 0.66 -0.30 1.88 0.07 0.00 0.00 177.43 179.75 3kr5 h TYR 304 N 0.12 0.00 -2.98 4.14 0.05 -1.48 -3.41 116.97 113.40 3kr5 h TYR 304 Ca 0.00 0.00 -0.72 0.00 0.05 0.00 0.00 58.73 58.06 3kr5 h TYR 304 Cb 0.97 0.00 -0.21 0.00 1.01 0.00 0.00 36.73 38.50 3kr5 h TYR 304 CO 0.01 0.81 0.18 0.00 -1.05 0.00 0.00 178.16 178.11 3kr5 s ASN 306 N 3.42 3.52 0.37 0.00 2.20 -1.24 -4.30 114.94 118.91 3kr5 s ASN 306 Ca 0.14 -1.52 0.06 0.00 -0.94 0.00 0.00 52.86 50.60 3kr5 s ASN 306 Cb -0.20 0.13 0.75 0.00 -2.00 0.00 0.00 41.25 39.93 3kr5 s ASN 306 CO 0.02 -0.70 1.99 -0.65 -2.94 0.00 0.00 177.10 174.82 3kr5 h PRO 307 N 1.69 0.71 -0.06 3.55 0.11 -1.87 0.26 132.00 136.39 3kr5 h PRO 307 Ca -0.42 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.61 3kr5 h PRO 307 Cb 1.27 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3kr5 h PRO 307 CO 0.73 0.47 -0.11 0.28 -0.21 0.00 0.00 178.00 179.15 3kr5 h VAL 308 N 0.73 1.42 -0.59 3.15 2.07 -1.94 -2.18 116.25 118.91 3kr5 h VAL 308 Ca 0.27 -1.41 -0.10 0.00 0.82 0.00 0.00 66.70 66.27 3kr5 h VAL 308 Cb 0.14 2.21 -0.02 0.00 -1.52 0.00 0.00 31.29 32.10 3kr5 h VAL 308 CO -0.08 0.39 -0.03 0.77 0.02 0.00 0.00 177.57 178.64 3kr5 h SER 309 N -0.31 1.04 0.00 0.57 4.64 -1.73 -0.15 113.55 117.61 3kr5 h SER 309 Ca 0.00 -0.31 -0.00 0.00 -0.47 0.00 0.00 61.79 61.02 3kr5 h SER 309 Cb 0.69 -0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3kr5 h SER 309 CO 0.03 1.10 -0.00 0.25 -0.87 0.00 0.00 176.83 177.33 3kr5 h LEU 310 N 0.95 -0.00 -1.02 5.97 6.46 -0.55 0.14 115.31 127.26 3kr5 h LEU 310 Ca 0.16 -0.07 -0.08 0.00 -0.12 0.00 0.00 57.88 57.78 3kr5 h LEU 310 Cb 0.59 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 40.50 3kr5 h LEU 310 CO 0.04 0.06 -0.14 0.77 -0.62 0.00 0.00 178.44 178.55 3kr5 h SER 311 N -0.07 0.53 -0.83 1.25 4.64 -1.31 -0.99 113.55 116.77 3kr5 h SER 311 Ca -0.00 -0.15 0.06 0.00 -0.47 0.00 0.00 61.79 61.24 3kr5 h SER 311 Cb 0.07 -0.14 -0.06 0.00 -0.31 0.00 0.00 62.40 61.96 3kr5 h SER 311 CO 0.00 0.70 0.51 0.78 -0.87 0.00 0.00 176.83 177.95 3kr5 h ASN 312 N 0.50 0.79 -0.40 4.97 2.35 -0.64 -1.25 115.58 121.89 3kr5 h ASN 312 Ca 0.09 0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.80 3kr5 h ASN 312 Cb 0.53 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.74 3kr5 h ASN 312 CO 0.03 0.50 0.03 0.00 -1.65 0.00 0.00 177.43 176.35 3kr5 h ALA 313 N 1.40 0.54 -0.26 -0.83 0.00 0.14 -0.68 119.26 119.57 3kr5 h ALA 313 Ca 0.37 -0.24 0.04 0.00 0.00 0.00 0.00 54.91 55.08 3kr5 h ALA 313 Cb 0.19 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.79 3kr5 h ALA 313 CO -0.18 0.29 0.03 0.00 0.00 0.00 0.00 179.25 179.38 3kr5 h ALA 314 N 0.91 0.25 -0.49 0.00 0.00 -1.00 0.16 119.26 119.08 3kr5 h ALA 314 Ca 0.12 0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.18 3kr5 h ALA 314 Cb 0.43 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.23 3kr5 h ALA 314 CO 0.01 -0.39 0.03 0.28 0.00 0.00 0.00 179.25 179.19 3kr5 h VAL 315 N 0.12 0.65 -0.39 0.00 2.07 -1.00 0.34 116.25 118.03 3kr5 h VAL 315 Ca 0.12 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.61 3kr5 h VAL 315 Cb 0.14 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 3kr5 h VAL 315 CO -0.18 0.03 0.21 -0.08 0.02 0.00 0.00 177.57 177.56 3kr5 h GLU 316 N 0.15 0.41 0.06 1.57 4.81 -0.44 -0.72 114.58 120.42 3kr5 h GLU 316 Ca 0.25 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 3kr5 h GLU 316 Cb 0.36 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 3kr5 h GLU 316 CO -0.38 0.27 -0.06 1.25 -0.73 0.00 0.00 179.01 179.36 3kr5 h LEU 317 N 0.42 -0.17 -0.73 1.64 5.85 0.16 -0.93 115.31 121.55 3kr5 h LEU 317 Ca 0.16 0.02 0.14 0.00 0.84 0.00 0.00 57.88 59.04 3kr5 h LEU 317 Cb 0.05 0.06 -0.10 0.00 0.37 0.00 0.00 40.66 41.04 3kr5 h LEU 317 CO -0.10 -0.10 0.26 0.00 -0.34 0.00 0.00 178.44 178.16 3kr5 h ALA 318 N 0.79 1.00 -0.56 1.25 0.00 -0.16 -0.91 119.26 120.67 3kr5 h ALA 318 Ca 0.00 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3kr5 h ALA 318 Cb 0.14 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3kr5 h ALA 318 CO -0.02 -0.24 0.14 1.96 0.00 0.00 0.00 179.25 181.09 3kr5 h GLN 319 N 0.39 0.89 0.00 0.00 4.20 -0.79 1.16 115.11 120.96 3kr5 h GLN 319 Ca 0.40 -0.21 -0.04 0.00 0.06 0.00 0.00 58.65 58.87 3kr5 h GLN 319 Cb 0.62 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.28 3kr5 h GLN 319 CO -0.42 0.83 -0.17 0.87 -0.67 0.00 0.00 178.83 179.27 3kr5 h LYS 320 N 0.79 0.00 0.00 1.46 1.57 -0.52 -3.08 116.57 116.79 3kr5 h LYS 320 Ca 0.18 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 3kr5 h LYS 320 Cb 0.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3kr5 h LYS 320 CO 0.00 0.17 -0.75 1.28 -0.57 0.00 0.00 179.45 179.58 3kr5 n LEU 321 N -3.89 0.55 -0.27 2.94 4.77 -0.41 -4.97 117.00 115.72 3kr5 n LEU 321 Ca -0.02 -0.44 0.00 0.00 -0.03 0.00 0.00 56.01 55.52 3kr5 n LEU 321 Cb 0.26 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 3kr5 n LEU 321 CO 0.33 0.14 0.00 -3.20 -1.33 0.00 0.00 177.39 173.33 3kr5 n ASN 322 N -1.40 -1.53 -4.88 -1.43 2.85 0.36 -4.92 115.26 104.31 3kr5 n ASN 322 Ca 0.02 0.00 -0.33 0.00 -0.11 0.00 0.00 54.58 54.16 3kr5 n ASN 322 Cb 0.23 -0.50 -0.05 0.00 1.24 0.00 0.00 39.78 40.70 3kr5 n ASN 322 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 3kr5 s LEU 323 N -0.53 4.26 0.39 1.20 1.43 0.10 -5.01 118.68 120.52 3kr5 s LEU 323 Ca 0.00 0.29 -0.26 0.00 -1.03 0.00 0.00 54.13 53.12 3kr5 s LEU 323 Cb 0.00 -2.60 -0.09 0.00 0.03 0.00 0.00 46.19 43.53 3kr5 s LEU 323 CO 0.00 0.25 1.26 -1.83 0.23 0.00 0.00 176.35 176.26 3kr5 s GLU 324 N -2.00 4.06 0.04 1.70 4.04 -0.75 -4.58 118.70 121.21 3kr5 s GLU 324 Ca 0.28 2.07 -0.07 0.00 0.04 0.00 0.00 54.97 57.29 3kr5 s GLU 324 Cb -0.13 -2.79 -0.01 0.00 0.02 0.00 0.00 34.13 31.23 3kr5 s GLU 324 CO 0.19 -0.39 0.14 1.52 -1.84 0.00 0.00 175.26 174.88 3kr5 s TYR 325 N -1.28 0.15 -0.16 4.83 -0.85 -1.26 0.28 117.35 119.07 3kr5 s TYR 325 Ca 0.55 -0.45 -0.11 0.00 -0.52 0.00 0.00 57.07 56.55 3kr5 s TYR 325 Cb -0.36 -0.10 0.05 0.00 0.38 0.00 0.00 41.96 41.93 3kr5 s TYR 325 CO 0.46 -0.41 0.40 0.21 -1.52 0.00 0.00 175.55 174.70 3kr5 s LYS 326 N -2.76 0.41 -0.23 -3.49 2.20 0.40 -4.99 119.74 111.28 3kr5 s LYS 326 Ca -0.04 0.69 -0.03 0.00 -0.36 0.00 0.00 55.97 56.23 3kr5 s LYS 326 Cb -0.00 0.06 0.00 0.00 -1.51 0.00 0.00 37.83 36.38 3kr5 s LYS 326 CO -0.05 -0.12 -0.06 0.42 -0.36 0.00 0.00 175.35 175.18 3kr5 s ILE 327 N 0.97 3.17 -0.22 5.43 -1.09 -1.26 -1.01 121.20 127.19 3kr5 s ILE 327 Ca -0.06 -0.65 -0.21 0.00 -2.23 0.00 0.00 60.65 57.50 3kr5 s ILE 327 Cb -0.07 -2.48 -0.02 0.00 -1.58 0.00 0.00 42.46 38.31 3kr5 s ILE 327 CO -0.08 0.37 0.64 -0.76 -1.23 0.00 0.00 174.94 173.88 3kr5 s LEU 328 N 1.43 4.11 0.62 2.97 1.02 0.45 -4.86 118.68 124.42 3kr5 s LEU 328 Ca 0.04 0.80 0.04 0.00 0.02 0.00 0.00 54.13 55.03 3kr5 s LEU 328 Cb -0.15 -2.89 0.09 0.00 0.02 0.00 0.00 46.19 43.26 3kr5 s LEU 328 CO -0.04 -0.32 0.85 -0.83 0.02 0.00 0.00 176.35 176.03 3kr5 s GLY 329 N 1.30 1.78 0.21 -3.19 0.00 -1.26 -0.95 107.32 105.21 3kr5 s GLY 329 Ca 0.28 -1.80 -0.10 0.00 0.00 0.00 0.00 44.72 43.11 3kr5 s GLY 329 CO 0.10 -1.35 1.73 -2.08 0.00 0.00 0.00 173.10 171.50 3kr5 h VAL 330 N -0.09 0.73 -0.33 1.40 2.07 -1.96 -0.23 116.25 117.84 3kr5 h VAL 330 Ca -0.35 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.07 3kr5 h VAL 330 Cb 1.28 0.34 -0.03 0.00 -1.52 0.00 0.00 31.29 31.36 3kr5 h VAL 330 CO 0.43 0.06 0.16 0.11 0.02 0.00 0.00 177.57 178.35 3kr5 h LYS 331 N 0.35 0.32 -0.57 1.57 1.57 -1.95 0.28 116.57 118.14 3kr5 h LYS 331 Ca 0.31 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 59.02 3kr5 h LYS 331 Cb 0.41 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.62 3kr5 h LYS 331 CO -0.34 0.21 0.16 0.93 -0.57 0.00 0.00 179.45 179.85 3kr5 h GLU 332 N 0.33 0.89 -0.70 3.15 5.08 -1.71 -1.60 114.58 120.02 3kr5 h GLU 332 Ca 0.14 -0.20 0.04 0.00 -1.00 0.00 0.00 59.36 58.34 3kr5 h GLU 332 Cb 0.06 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.14 3kr5 h GLU 332 CO -0.10 0.82 0.43 -0.07 -1.00 0.00 0.00 179.01 179.08 3kr5 h LEU 333 N 0.80 0.68 -0.40 1.33 3.38 -0.41 0.28 115.31 120.97 3kr5 h LEU 333 Ca 0.18 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 3kr5 h LEU 333 Cb 0.31 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 3kr5 h LEU 333 CO -0.00 0.46 0.22 -0.33 0.09 0.00 0.00 178.44 178.88 3kr5 h GLU 334 N 0.82 0.57 -0.55 1.13 5.08 -0.26 -0.88 114.58 120.49 3kr5 h GLU 334 Ca 0.29 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3kr5 h GLU 334 Cb 0.07 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 3kr5 h GLU 334 CO -0.13 0.46 0.33 0.93 -1.00 0.00 0.00 179.01 179.60 3kr5 h GLU 335 N 0.52 0.73 0.00 2.33 5.08 -0.41 0.13 114.58 122.97 3kr5 h GLU 335 Ca 0.14 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 3kr5 h GLU 335 Cb 0.07 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.16 3kr5 h GLU 335 CO -0.02 0.51 0.00 1.28 -1.00 0.00 0.00 179.01 179.78 3kr5 n LEU 336 N -4.43 0.00 -2.81 1.33 4.77 0.89 -4.92 117.00 111.84 3kr5 n LEU 336 Ca 0.05 0.26 -0.20 0.00 -0.03 0.00 0.00 56.01 56.09 3kr5 n LEU 336 Cb 0.07 -0.26 0.05 0.00 -2.33 0.00 0.00 43.42 40.95 3kr5 n LEU 336 CO 0.36 -0.01 0.08 0.29 -1.33 0.00 0.00 177.39 176.79 3kr5 n LYS 337 N -1.26 -5.24 -1.69 3.23 5.02 0.47 -4.68 118.16 114.02 3kr5 n LYS 337 Ca 0.15 0.75 -0.41 0.00 -2.02 0.00 0.00 58.31 56.78 3kr5 n LYS 337 Cb 0.22 -5.37 -0.01 0.00 -0.02 0.00 0.00 35.03 29.85 3kr5 n LYS 337 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3kr5 n MET 338 N -3.87 3.46 -0.01 1.97 2.81 -0.73 -1.88 117.12 118.88 3kr5 n MET 338 Ca -0.06 -2.67 -0.03 0.00 -1.81 0.00 0.00 57.70 53.13 3kr5 n MET 338 Cb 0.58 -2.99 0.20 0.00 -0.71 0.00 0.00 33.22 30.31 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 8.13 0.59 0.72 3.03 0.00 -1.77 -0.12 103.07 113.64 3kr5 h GLY 339 Ca 0.67 -0.45 -0.00 0.00 0.00 0.00 0.00 47.33 47.55 3kr5 h GLY 339 CO 1.77 0.41 -0.01 0.00 0.00 0.00 0.00 176.54 178.72 3kr5 h ALA 340 N 1.31 -0.03 -0.07 3.60 0.00 -1.83 -0.60 119.26 121.65 3kr5 h ALA 340 Ca 0.08 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3kr5 h ALA 340 Cb 0.60 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 3kr5 h ALA 340 CO 0.04 -0.37 0.03 -0.92 0.00 0.00 0.00 179.25 178.03 3kr5 h TYR 341 N -0.31 0.10 -0.07 0.00 3.20 -1.62 -2.58 116.97 115.68 3kr5 h TYR 341 Ca -0.00 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 3kr5 h TYR 341 Cb 0.30 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 3kr5 h TYR 341 CO 0.02 0.19 -0.10 -0.07 -1.64 0.00 0.00 178.16 176.57 3kr5 h LEU 342 N -0.03 0.10 -0.65 2.82 3.38 -1.04 -2.59 115.31 117.30 3kr5 h LEU 342 Ca 0.02 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 3kr5 h LEU 342 Cb 0.13 -0.03 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3kr5 h LEU 342 CO -0.00 0.22 0.29 0.28 0.09 0.00 0.00 178.44 179.32 3kr5 h SER 343 N 0.11 0.87 -0.70 -0.43 0.02 -0.69 -2.44 113.55 110.29 3kr5 h SER 343 Ca 0.02 -0.15 -0.03 0.00 -0.84 0.00 0.00 61.79 60.80 3kr5 h SER 343 Cb 0.25 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 3kr5 h SER 343 CO 0.01 0.78 0.34 0.58 -1.14 0.00 0.00 176.83 177.40 3kr5 h VAL 344 N 0.91 1.23 0.00 2.27 2.07 -1.35 -2.62 116.25 118.76 3kr5 h VAL 344 Ca 0.22 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 67.09 3kr5 h VAL 344 Cb 0.16 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 3kr5 h VAL 344 CO -0.02 0.27 0.00 1.23 0.02 0.00 0.00 177.57 179.07 3kr5 h GLY 345 N 0.98 0.00 -0.03 2.17 0.00 -1.48 -3.36 103.07 101.34 3kr5 h GLY 345 Ca 0.24 0.00 0.20 0.00 0.00 0.00 0.00 47.33 47.77 3kr5 h GLY 345 CO -0.03 0.00 0.48 0.50 0.00 0.00 0.00 176.54 177.49 3kr5 h LYS 346 N 0.00 0.54 0.00 4.80 1.57 -1.04 0.19 116.57 122.63 3kr5 h LYS 346 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 3kr5 h LYS 346 Cb 0.63 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.82 3kr5 h LYS 346 CO 0.00 0.36 0.00 0.41 -0.57 0.00 0.00 179.45 179.65 3kr5 n GLY 347 N -1.33 -1.14 3.86 3.86 0.00 -1.25 -4.50 105.19 104.69 3kr5 n GLY 347 Ca 0.22 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 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 -3.42 6.74 0.25 1.61 0.15 0.67 -4.53 113.70 115.17 3kr5 s SER 348 Ca 0.07 1.11 0.25 0.00 0.70 0.00 0.00 55.95 58.08 3kr5 s SER 348 Cb 0.10 -2.30 0.92 0.00 -1.71 0.00 0.00 66.02 63.03 3kr5 s SER 348 CO 0.33 -0.09 1.75 1.15 1.20 0.00 0.00 173.24 177.58 3kr5 n MET 349 N -0.04 0.23 -3.63 5.44 0.00 -1.26 -4.68 117.12 113.18 3kr5 n MET 349 Ca 0.01 0.34 -0.37 0.00 0.00 0.00 0.00 57.70 57.68 3kr5 n MET 349 Cb 0.52 -1.86 -0.09 0.00 0.00 0.00 0.00 33.22 31.79 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 -3.24 3.33 0.46 3.17 1.51 -1.26 -4.90 117.35 116.41 3kr5 s TYR 350 Ca 0.07 0.28 -0.24 0.00 -1.01 0.00 0.00 57.07 56.16 3kr5 s TYR 350 Cb 0.10 -2.29 -0.08 0.00 -0.11 0.00 0.00 41.96 39.59 3kr5 s TYR 350 CO 0.48 0.07 1.34 -2.14 -1.11 0.00 0.00 175.55 174.20 3kr5 s PRO 351 N 1.05 3.66 0.40 -1.71 0.02 -1.26 -4.77 135.00 132.39 3kr5 s PRO 351 Ca 0.09 2.23 -0.26 0.00 0.02 0.00 0.00 61.00 63.08 3kr5 s PRO 351 Cb -0.13 -2.57 -0.10 0.00 0.02 0.00 0.00 34.50 31.71 3kr5 s PRO 351 CO 0.05 -0.77 1.27 0.09 -0.33 0.00 0.00 177.00 177.31 3kr5 n ASN 352 N -0.31 2.58 -3.82 2.53 4.13 -1.26 -4.49 115.26 114.63 3kr5 n ASN 352 Ca 0.06 1.13 -0.21 0.00 1.68 0.00 0.00 54.58 57.24 3kr5 n ASN 352 Cb 0.44 -1.50 -0.17 0.00 -1.54 0.00 0.00 39.78 37.01 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 -2.13 0.66 -0.28 3.52 -0.14 -0.77 -3.99 119.74 116.60 3kr5 s LYS 353 Ca 0.60 0.03 -0.09 0.00 -1.36 0.00 0.00 55.97 55.15 3kr5 s LYS 353 Cb -0.52 -0.88 -0.02 0.00 -1.68 0.00 0.00 37.83 34.73 3kr5 s LYS 353 CO 0.59 -0.21 0.12 0.12 -0.76 0.00 0.00 175.35 175.20 3kr5 s PHE 354 N 1.52 3.14 -0.14 3.18 2.19 -0.12 -0.98 117.98 126.77 3kr5 s PHE 354 Ca -0.02 -0.48 -0.20 0.00 0.33 0.00 0.00 56.93 56.57 3kr5 s PHE 354 Cb -0.13 -2.30 -0.04 0.00 -1.31 0.00 0.00 43.02 39.24 3kr5 s PHE 354 CO -0.03 -0.40 0.56 0.42 1.83 0.00 0.00 175.22 177.60 3kr5 s ILE 355 N 1.62 5.11 -0.33 3.12 1.01 0.98 -0.41 121.20 132.30 3kr5 s ILE 355 Ca 0.05 1.09 -0.01 0.00 0.00 0.00 0.00 60.65 61.79 3kr5 s ILE 355 Cb -0.16 -3.89 0.11 0.00 0.01 0.00 0.00 42.46 38.52 3kr5 s ILE 355 CO 0.05 0.23 0.12 -2.28 0.00 0.00 0.00 174.94 173.07 3kr5 s HIS 356 N 1.16 1.64 -0.03 3.97 2.46 -0.18 -1.34 115.29 122.96 3kr5 s HIS 356 Ca 0.28 -1.77 -0.03 0.00 0.47 0.00 0.00 55.06 54.01 3kr5 s HIS 356 Cb -0.16 -1.67 -0.04 0.00 -0.13 0.00 0.00 32.58 30.59 3kr5 s HIS 356 CO 0.11 -0.86 0.15 -0.51 -2.47 0.00 0.00 174.74 171.16 3kr5 s LEU 357 N 1.47 4.28 -0.07 8.88 1.02 0.73 -0.45 118.68 134.54 3kr5 s LEU 357 Ca 0.11 0.33 0.01 0.00 0.02 0.00 0.00 54.13 54.60 3kr5 s LEU 357 Cb -0.18 -2.43 0.02 0.00 0.02 0.00 0.00 46.19 43.62 3kr5 s LEU 357 CO -0.22 0.30 -0.07 -0.89 0.02 0.00 0.00 176.35 175.49 3kr5 s THR 358 N -1.23 0.81 -0.18 5.49 2.01 0.14 0.87 115.64 123.55 3kr5 s THR 358 Ca 0.24 -0.24 -0.04 0.00 0.31 0.00 0.00 61.69 61.96 3kr5 s THR 358 Cb -0.12 -0.82 -0.02 0.00 0.01 0.00 0.00 72.50 71.54 3kr5 s THR 358 CO 0.15 0.30 -0.02 -0.47 -0.69 0.00 0.00 174.62 173.89 3kr5 s TYR 359 N 1.17 3.02 -0.07 4.92 5.04 0.10 -1.80 117.35 129.73 3kr5 s TYR 359 Ca -0.06 -0.46 0.05 0.00 -2.44 0.00 0.00 57.07 54.15 3kr5 s TYR 359 Cb -0.14 -2.03 -0.01 0.00 0.35 0.00 0.00 41.96 40.12 3kr5 s TYR 359 CO -0.02 -0.20 -0.22 0.21 -1.34 0.00 0.00 175.55 173.99 3kr5 s LYS 360 N 0.81 2.70 0.71 4.97 2.20 -1.26 0.13 119.74 130.00 3kr5 s LYS 360 Ca -0.00 -0.84 -0.12 0.00 -0.36 0.00 0.00 55.97 54.64 3kr5 s LYS 360 Cb -0.14 -2.27 0.02 0.00 -1.51 0.00 0.00 37.83 33.93 3kr5 s LYS 360 CO 0.02 0.38 1.09 -1.12 -0.36 0.00 0.00 175.35 175.36 3kr5 s SER 361 N -0.14 4.93 0.09 1.43 0.01 0.03 -4.97 113.70 115.07 3kr5 s SER 361 Ca -0.03 1.83 -0.17 0.00 1.31 0.00 0.00 55.95 58.88 3kr5 s SER 361 Cb -0.14 -2.52 -0.07 0.00 0.21 0.00 0.00 66.02 63.49 3kr5 s SER 361 CO 0.04 -1.75 1.50 0.07 0.41 0.00 0.00 173.24 173.51 3kr5 h LYS 362 N -0.62 0.52 0.00 12.44 -0.00 -1.90 -3.46 116.57 123.55 3kr5 h LYS 362 Ca -0.45 -0.19 0.00 0.00 -0.00 0.00 0.00 60.65 60.02 3kr5 h LYS 362 Cb 1.23 -0.04 0.00 0.00 -0.00 0.00 0.00 32.23 33.42 3kr5 h LYS 362 CO 0.54 0.71 0.00 0.41 -0.00 0.00 0.00 179.45 181.10 3kr5 n GLY 363 N -0.22 -0.91 3.76 0.07 0.00 -1.26 -4.97 105.19 101.66 3kr5 n GLY 363 Ca -0.03 -1.56 -0.41 0.00 0.00 0.00 0.00 46.02 44.02 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 -1.12 6.69 -0.25 1.61 1.01 -1.26 -4.80 116.67 118.54 3kr5 s ASP 364 Ca 0.00 2.70 -0.21 0.00 0.71 0.00 0.00 52.55 55.75 3kr5 s ASP 364 Cb 0.00 -2.64 -0.02 0.00 1.01 0.00 0.00 42.92 41.28 3kr5 s ASP 364 CO 0.00 -0.64 0.68 -0.69 0.21 0.00 0.00 175.17 174.73 3kr5 s VAL 365 N -0.59 4.95 -0.03 -1.27 1.01 -1.26 -3.82 120.40 119.39 3kr5 s VAL 365 Ca 0.54 1.22 0.14 0.00 0.00 0.00 0.00 61.98 63.88 3kr5 s VAL 365 Cb -0.41 -3.98 -0.21 0.00 0.00 0.00 0.00 36.38 31.78 3kr5 s VAL 365 CO 0.49 -0.01 0.29 0.29 0.00 0.00 0.00 175.10 176.16 3kr5 n LYS 366 N 5.79 0.54 -3.76 2.72 5.02 0.61 -4.97 118.16 124.11 3kr5 n LYS 366 Ca 0.01 -0.12 -0.15 0.00 -2.02 0.00 0.00 58.31 56.03 3kr5 n LYS 366 Cb 0.49 -1.33 -0.16 0.00 -0.02 0.00 0.00 35.03 34.01 3kr5 n LYS 366 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3kr5 s LYS 367 N -2.92 -0.01 -0.16 1.97 2.47 -0.87 -5.05 119.74 115.17 3kr5 s LYS 367 Ca -0.05 0.25 -0.02 0.00 -1.56 0.00 0.00 55.97 54.58 3kr5 s LYS 367 Cb 0.09 -0.25 -0.02 0.00 -1.46 0.00 0.00 37.83 36.19 3kr5 s LYS 367 CO 0.58 -0.18 -0.09 0.15 0.16 0.00 0.00 175.35 175.97 3kr5 s LYS 368 N 1.17 3.44 -0.06 4.03 1.02 -1.26 -1.04 119.74 127.04 3kr5 s LYS 368 Ca -0.08 -0.63 0.04 0.00 0.02 0.00 0.00 55.97 55.31 3kr5 s LYS 368 Cb -0.13 -2.80 0.00 0.00 -0.52 0.00 0.00 37.83 34.39 3kr5 s LYS 368 CO -0.04 0.10 -0.17 0.42 -0.92 0.00 0.00 175.35 174.74 3kr5 s ILE 369 N 0.67 1.49 -0.25 2.17 1.01 0.79 0.01 121.20 127.09 3kr5 s ILE 369 Ca -0.05 -0.73 -0.07 0.00 0.00 0.00 0.00 60.65 59.81 3kr5 s ILE 369 Cb -0.15 -1.29 -0.02 0.00 0.01 0.00 0.00 42.46 41.01 3kr5 s ILE 369 CO 0.02 0.43 0.06 0.00 0.00 0.00 0.00 174.94 175.45 3kr5 s ALA 370 N 0.19 3.10 -0.28 9.38 0.00 0.84 -0.14 121.76 134.85 3kr5 s ALA 370 Ca -0.08 -1.19 -0.10 0.00 0.00 0.00 0.00 51.96 50.60 3kr5 s ALA 370 Cb -0.13 -2.04 -0.03 0.00 0.00 0.00 0.00 23.12 20.91 3kr5 s ALA 370 CO 0.03 -0.55 0.14 -0.51 0.00 0.00 0.00 175.76 174.88 3kr5 s LEU 371 N 1.58 3.85 -0.23 0.00 1.43 0.24 -0.92 118.68 124.63 3kr5 s LEU 371 Ca 0.06 -0.19 -0.03 0.00 -1.03 0.00 0.00 54.13 52.94 3kr5 s LEU 371 Cb -0.15 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 44.04 3kr5 s LEU 371 CO 0.03 -0.08 -0.06 -0.69 0.23 0.00 0.00 176.35 175.78 3kr5 s VAL 372 N 1.68 3.12 -0.10 -1.59 1.01 0.41 0.27 120.40 125.20 3kr5 s VAL 372 Ca 0.06 -0.68 -0.03 0.00 0.00 0.00 0.00 61.98 61.33 3kr5 s VAL 372 Cb -0.16 -2.46 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 3kr5 s VAL 372 CO 0.08 0.37 0.02 -0.83 0.00 0.00 0.00 175.10 174.74 3kr5 s GLY 373 N 1.42 1.89 0.13 4.51 0.00 0.53 -0.12 107.32 115.68 3kr5 s GLY 373 Ca 0.04 -0.78 -0.31 0.00 0.00 0.00 0.00 44.72 43.67 3kr5 s GLY 373 CO -0.05 -0.46 1.51 1.25 0.00 0.00 0.00 173.10 175.35 3kr5 s LYS 374 N -0.72 4.25 -0.46 2.90 2.20 -0.47 -4.16 119.74 123.28 3kr5 s LYS 374 Ca 0.12 2.25 0.09 0.00 -0.36 0.00 0.00 55.97 58.06 3kr5 s LYS 374 Cb -0.12 -3.27 0.36 0.00 -1.51 0.00 0.00 37.83 33.29 3kr5 s LYS 374 CO 0.02 -0.57 0.85 0.41 -0.36 0.00 0.00 175.35 175.71 3kr5 n GLY 375 N 3.70 4.44 3.41 5.54 0.00 -1.26 -0.51 105.19 120.51 3kr5 n GLY 375 Ca 0.13 -2.18 -0.44 0.00 0.00 0.00 0.00 46.02 43.53 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 -3.48 4.74 0.26 -0.61 -1.09 -0.91 -1.28 121.20 118.83 3kr5 s ILE 376 Ca 0.43 -0.72 0.11 0.00 -2.23 0.00 0.00 60.65 58.24 3kr5 s ILE 376 Cb 0.33 -4.48 -0.02 0.00 -1.58 0.00 0.00 42.46 36.72 3kr5 s ILE 376 CO -0.10 -1.10 1.62 0.71 -1.23 0.00 0.00 174.94 174.83 3kr5 h THR 377 N 5.92 1.41 -3.31 2.92 1.35 -1.34 -2.53 112.91 117.33 3kr5 h THR 377 Ca -0.29 -2.10 -0.21 0.00 -0.55 0.00 0.00 66.41 63.27 3kr5 h THR 377 Cb 1.09 2.14 -0.28 0.00 -1.73 0.00 0.00 68.15 69.36 3kr5 h THR 377 CO 1.08 0.59 -0.55 0.12 -0.25 0.00 0.00 175.52 176.51 3kr5 s PHE 378 N -3.59 -0.18 -0.44 4.73 5.36 -1.26 -4.32 117.98 118.28 3kr5 s PHE 378 Ca -0.01 0.46 -0.01 0.00 -0.96 0.00 0.00 56.93 56.41 3kr5 s PHE 378 Cb 0.12 0.01 0.12 0.00 -0.34 0.00 0.00 43.02 42.93 3kr5 s PHE 378 CO 0.76 -0.12 0.21 0.34 -1.46 0.00 0.00 175.22 174.95 3kr5 s ASP 379 N 0.51 5.05 0.40 6.13 2.15 -1.18 -0.61 116.67 129.13 3kr5 s ASP 379 Ca -0.04 -2.28 0.21 0.00 0.43 0.00 0.00 52.55 50.87 3kr5 s ASP 379 Cb -0.05 -1.77 0.27 0.00 -0.30 0.00 0.00 42.92 41.08 3kr5 s ASP 379 CO -0.02 -0.45 1.57 0.77 -0.17 0.00 0.00 175.17 176.86 3kr5 h SER 380 N 7.64 0.00 0.00 -0.34 4.64 -1.58 -3.45 113.55 120.46 3kr5 h SER 380 Ca -0.08 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.24 3kr5 h SER 380 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 3kr5 h SER 380 CO 0.66 0.11 0.00 0.61 -0.87 0.00 0.00 176.83 177.34 3kr5 n GLY 381 N 1.13 2.85 7.00 -0.77 0.00 -1.26 -0.99 105.19 113.15 3kr5 n GLY 381 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 3kr5 n GLY 381 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kr5 n GLY 382 N -1.18 0.30 0.34 -0.02 0.00 -1.26 -1.51 105.19 101.86 3kr5 n GLY 382 Ca 0.00 -0.86 0.16 0.00 0.00 0.00 0.00 46.02 45.32 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 -0.20 1.61 0.05 -1.81 0.69 116.97 117.32 3kr5 h TYR 383 Ca 0.00 0.00 -0.52 0.00 0.05 0.00 0.00 58.73 58.26 3kr5 h TYR 383 Cb 0.00 0.00 -0.03 0.00 1.01 0.00 0.00 36.73 37.71 3kr5 h TYR 383 CO 0.00 0.00 2.17 0.09 -1.05 0.00 0.00 178.16 179.37 3kr5 n ASN 384 N -4.28 7.47 -4.53 3.88 4.13 -1.20 -4.97 115.26 115.77 3kr5 n ASN 384 Ca 0.05 -2.65 -0.47 0.00 1.68 0.00 0.00 54.58 53.19 3kr5 n ASN 384 Cb 0.41 -1.47 -0.03 0.00 -1.54 0.00 0.00 39.78 37.15 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 2.87 0.76 -4.57 3.41 7.94 0.23 -4.46 117.00 123.18 3kr5 n LEU 385 Ca 0.64 1.16 -0.30 0.00 -1.11 0.00 0.00 56.01 56.40 3kr5 n LEU 385 Cb 0.47 -1.16 -0.05 0.00 0.53 0.00 0.00 43.42 43.21 3kr5 n LEU 385 CO 0.58 -1.86 1.49 -0.54 -1.11 0.00 0.00 177.39 175.95 3kr5 s LYS 386 N -1.04 2.72 -0.00 1.96 1.02 -0.16 -4.47 119.74 119.76 3kr5 s LYS 386 Ca 0.65 -0.94 0.02 0.00 0.02 0.00 0.00 55.97 55.72 3kr5 s LYS 386 Cb -0.83 -5.22 -0.02 0.00 -0.52 0.00 0.00 37.83 31.24 3kr5 s LYS 386 CO 0.57 -3.51 0.06 0.00 -0.92 0.00 0.00 175.35 171.54 3kr5 n ALA 387 N 13.37 2.14 -1.76 5.17 0.00 -1.26 -4.66 120.51 133.51 3kr5 n ALA 387 Ca 0.43 -0.05 -0.36 0.00 0.00 0.00 0.00 53.44 53.46 3kr5 n ALA 387 Cb 0.47 -0.06 0.02 0.00 0.00 0.00 0.00 19.45 19.87 3kr5 n ALA 387 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kr5 s ALA 388 N -1.72 2.69 0.34 0.00 0.00 -1.26 -4.95 121.76 116.86 3kr5 s ALA 388 Ca -0.00 0.98 -0.29 0.00 0.00 0.00 0.00 51.96 52.65 3kr5 s ALA 388 Cb 0.01 -3.42 -0.12 0.00 0.00 0.00 0.00 23.12 19.59 3kr5 s ALA 388 CO 0.08 -0.98 1.40 -2.30 0.00 0.00 0.00 175.76 173.96 3kr5 n PRO 389 N -1.25 2.36 -0.97 0.00 -0.02 -1.26 -2.24 135.00 131.62 3kr5 n PRO 389 Ca 0.12 0.83 0.00 0.00 -2.02 0.00 0.00 63.50 62.43 3kr5 n PRO 389 Cb 0.49 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 3kr5 n PRO 389 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kr5 n GLY 390 N 1.00 0.52 0.09 -1.23 0.00 -1.26 -4.88 105.19 99.43 3kr5 n GLY 390 Ca 0.05 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.20 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 -0.14 0.63 -3.75 1.61 3.41 -0.95 -4.94 113.62 109.49 3kr5 n SER 391 Ca 0.00 0.58 -0.23 0.00 -0.26 0.00 0.00 58.87 58.95 3kr5 n SER 391 Cb 0.07 -0.74 0.03 0.00 -0.26 0.00 0.00 64.21 63.32 3kr5 n SER 391 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3kr5 n MET 392 N -2.11 -5.17 -0.03 4.33 2.81 -1.26 -4.85 117.12 110.84 3kr5 n MET 392 Ca 0.05 0.62 0.22 0.00 -1.81 0.00 0.00 57.70 56.78 3kr5 n MET 392 Cb 0.37 -5.28 0.70 0.00 -0.71 0.00 0.00 33.22 28.30 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 0.69 0.00 2.02 2.10 -1.92 -1.13 117.51 117.32 3kr5 h ILE 393 Ca -0.60 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.34 3kr5 h ILE 393 Cb 1.36 0.70 0.00 0.00 -1.09 0.00 0.00 36.82 37.79 3kr5 h ILE 393 CO 0.59 0.00 0.00 -0.90 -1.08 0.00 0.00 178.15 176.76 3kr5 n ASP 394 N -4.33 0.32 0.01 2.19 5.75 -1.26 -2.14 116.55 117.08 3kr5 n ASP 394 Ca 0.11 0.57 0.11 0.00 -0.01 0.00 0.00 54.79 55.57 3kr5 n ASP 394 Cb 0.67 -0.64 0.11 0.00 -1.03 0.00 0.00 41.12 40.23 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 -1.85 0.66 0.00 -2.12 7.94 -0.43 -4.58 117.00 116.64 3kr5 n LEU 395 Ca 0.04 -0.14 0.09 0.00 -1.11 0.00 0.00 56.01 54.88 3kr5 n LEU 395 Cb 0.23 -0.15 0.49 0.00 0.53 0.00 0.00 43.42 44.52 3kr5 n LEU 395 CO 0.19 0.15 0.75 0.23 -1.11 0.00 0.00 177.39 177.60 3kr5 n MET 396 N -1.58 0.39 0.27 1.96 2.81 -0.91 -0.82 117.12 119.24 3kr5 n MET 396 Ca 0.04 0.07 0.17 0.00 -1.81 0.00 0.00 57.70 56.17 3kr5 n MET 396 Cb 0.35 -1.50 0.90 0.00 -0.71 0.00 0.00 33.22 32.26 3kr5 n MET 396 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 3kr5 h LYS 397 N 0.00 0.00 -0.01 0.03 2.10 -1.81 -2.62 116.57 114.27 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 0.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.42 3kr5 h LYS 397 CO 0.00 0.00 -0.06 1.97 -2.00 0.00 0.00 179.45 179.36 3kr5 n PHE 398 N -2.71 0.00 1.52 0.07 -0.00 -0.00 -3.96 117.46 112.37 3kr5 n PHE 398 Ca -0.02 0.00 0.08 0.00 -0.00 0.00 0.00 57.45 57.51 3kr5 n PHE 398 Cb 0.12 -0.09 0.47 0.00 -0.00 0.00 0.00 39.48 39.98 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 -0.64 0.00 -1.09 5.98 2.03 -0.99 -0.81 116.55 121.03 3kr5 n ASP 399 Ca 0.18 -1.02 0.08 0.00 0.52 0.00 0.00 54.79 54.54 3kr5 n ASP 399 Cb 0.26 0.00 0.27 0.00 -0.72 0.00 0.00 41.12 40.93 3kr5 n ASP 399 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 3kr5 n MET 400 N -0.82 3.29 -0.31 -0.67 0.00 -0.95 -2.13 117.12 115.52 3kr5 n MET 400 Ca 0.12 -2.67 0.08 0.00 0.00 0.00 0.00 57.70 55.22 3kr5 n MET 400 Cb 0.05 -1.74 0.24 0.00 0.00 0.00 0.00 33.22 31.77 3kr5 n MET 400 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 3kr5 h SER 401 N 2.66 0.64 -0.21 3.17 0.02 -1.12 0.39 113.55 119.10 3kr5 h SER 401 Ca 0.00 0.08 0.02 0.00 -0.84 0.00 0.00 61.79 61.05 3kr5 h SER 401 Cb 1.30 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 63.79 3kr5 h SER 401 CO 0.19 0.28 0.08 1.23 -1.14 0.00 0.00 176.83 177.47 3kr5 h GLY 402 N 0.71 0.26 1.12 -3.77 0.00 -1.74 0.48 103.07 100.14 3kr5 h GLY 402 Ca 0.48 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.77 3kr5 h GLY 402 CO -0.34 0.03 0.56 0.00 0.00 0.00 0.00 176.54 176.79 3kr5 h ALA 404 N 1.42 0.47 -0.39 0.00 0.00 0.91 -0.26 119.26 121.41 3kr5 h ALA 404 Ca 0.32 -0.07 0.04 0.00 0.00 0.00 0.00 54.91 55.20 3kr5 h ALA 404 Cb -0.11 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 3kr5 h ALA 404 CO -0.07 -0.01 0.15 0.00 0.00 0.00 0.00 179.25 179.32 3kr5 h ALA 405 N 1.07 0.46 -0.65 0.00 0.00 0.33 0.27 119.26 120.74 3kr5 h ALA 405 Ca 0.13 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3kr5 h ALA 405 Cb 0.05 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3kr5 h ALA 405 CO -0.02 -0.24 0.33 0.28 0.00 0.00 0.00 179.25 179.60 3kr5 h VAL 406 N 0.32 1.22 -0.42 0.00 2.07 -1.10 0.52 116.25 118.85 3kr5 h VAL 406 Ca 0.18 -0.59 -0.06 0.00 0.82 0.00 0.00 66.70 67.05 3kr5 h VAL 406 Cb 0.14 0.41 -0.02 0.00 -1.52 0.00 0.00 31.29 30.31 3kr5 h VAL 406 CO -0.17 0.25 0.04 -0.07 0.02 0.00 0.00 177.57 177.64 3kr5 h LEU 407 N 0.89 0.69 -0.82 2.57 3.38 -0.28 -0.56 115.31 121.17 3kr5 h LEU 407 Ca 0.22 -0.28 0.04 0.00 0.09 0.00 0.00 57.88 57.95 3kr5 h LEU 407 Cb 0.09 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 3kr5 h LEU 407 CO -0.03 0.80 0.52 1.23 0.09 0.00 0.00 178.44 181.05 3kr5 h GLY 408 N 0.55 1.20 0.98 0.83 0.00 -0.25 0.22 103.07 106.62 3kr5 h GLY 408 Ca 0.12 -0.40 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 3kr5 h GLY 408 CO 0.01 0.33 0.29 0.00 0.00 0.00 0.00 176.54 177.17 3kr5 h ALA 410 N 1.12 1.25 0.14 0.00 0.00 -0.17 0.27 119.26 121.88 3kr5 h ALA 410 Ca 0.19 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3kr5 h ALA 410 Cb 0.05 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3kr5 h ALA 410 CO -0.03 -0.02 -0.14 -0.92 0.00 0.00 0.00 179.25 178.15 3kr5 h TYR 411 N 0.69 -0.36 -0.02 0.00 3.20 0.27 0.19 116.97 120.95 3kr5 h TYR 411 Ca 0.44 0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.33 3kr5 h TYR 411 Cb 0.55 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.94 3kr5 h TYR 411 CO -0.08 -0.21 -0.06 0.00 -1.64 0.00 0.00 178.16 176.17 3kr5 h VAL 413 N -0.10 1.22 0.00 0.00 2.07 -0.46 0.29 116.25 119.27 3kr5 h VAL 413 Ca 0.03 -0.61 -0.05 0.00 0.82 0.00 0.00 66.70 66.89 3kr5 h VAL 413 Cb 0.15 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 3kr5 h VAL 413 CO -0.08 0.26 -0.25 1.23 0.02 0.00 0.00 177.57 178.75 3kr5 h GLY 414 N 0.95 0.00 0.25 2.17 0.00 -0.38 0.19 103.07 106.25 3kr5 h GLY 414 Ca 0.24 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.37 3kr5 h GLY 414 CO -0.03 0.00 -1.02 -0.84 0.00 0.00 0.00 176.54 174.65 3kr5 h THR 415 N 0.00 1.19 0.00 4.70 2.02 -0.55 -3.36 112.91 116.90 3kr5 h THR 415 Ca -0.00 -2.32 0.00 0.00 0.77 0.00 0.00 66.41 64.86 3kr5 h THR 415 Cb 0.46 2.73 0.00 0.00 -1.74 0.00 0.00 68.15 69.60 3kr5 h THR 415 CO 0.03 0.55 0.00 -0.07 0.37 0.00 0.00 175.52 176.41 3kr5 h LEU 416 N -0.69 0.00 -3.24 2.58 3.38 -0.37 -3.48 115.31 113.49 3kr5 h LEU 416 Ca -0.24 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.37 3kr5 h LEU 416 Cb 1.43 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.21 3kr5 h LEU 416 CO -0.04 0.00 -0.77 0.29 0.09 0.00 0.00 178.44 178.01 3kr5 n LYS 417 N -3.02 -1.29 -1.28 1.13 5.02 0.67 -4.95 118.16 114.45 3kr5 n LYS 417 Ca 0.03 0.78 -0.32 0.00 -2.02 0.00 0.00 58.31 56.78 3kr5 n LYS 417 Cb 0.46 -3.80 0.10 0.00 -0.02 0.00 0.00 35.03 31.76 3kr5 n LYS 417 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3kr5 s PRO 418 N -5.02 2.11 0.23 1.97 0.04 -1.26 -5.03 135.00 128.04 3kr5 s PRO 418 Ca 0.21 1.38 0.05 0.00 0.04 0.00 0.00 61.00 62.67 3kr5 s PRO 418 Cb -0.08 -1.87 -0.03 0.00 0.04 0.00 0.00 34.50 32.56 3kr5 s PRO 418 CO 0.85 -1.78 0.33 -1.21 0.04 0.00 0.00 177.00 175.23 3kr5 s GLU 419 N -4.54 3.38 -1.23 4.56 2.02 -1.26 -4.57 118.70 117.06 3kr5 s GLU 419 Ca 0.65 -0.78 0.00 0.00 0.02 0.00 0.00 54.97 54.87 3kr5 s GLU 419 Cb -0.21 -2.86 0.00 0.00 0.10 0.00 0.00 34.13 31.17 3kr5 s GLU 419 CO 0.52 0.44 0.00 0.09 0.02 0.00 0.00 175.26 176.32 3kr5 n ASN 420 N -1.29 -4.99 -4.25 -0.19 3.02 -1.25 -4.97 115.26 101.34 3kr5 n ASN 420 Ca -0.09 0.29 -0.26 0.00 -0.03 0.00 0.00 54.58 54.49 3kr5 n ASN 420 Cb 0.57 -3.52 -0.14 0.00 -0.61 0.00 0.00 39.78 36.08 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 -2.23 1.68 -0.20 2.41 -7.23 -1.26 -0.28 120.40 113.28 3kr5 s VAL 421 Ca 0.00 -1.18 -0.01 0.00 -1.81 0.00 0.00 61.98 58.98 3kr5 s VAL 421 Cb 0.00 -1.45 0.01 0.00 0.56 0.00 0.00 36.38 35.49 3kr5 s VAL 421 CO 0.00 0.23 -0.13 -0.70 -0.31 0.00 0.00 175.10 174.20 3kr5 s GLU 422 N -1.12 3.18 -0.10 4.82 2.12 -0.21 -0.79 118.70 126.60 3kr5 s GLU 422 Ca 0.08 -0.73 0.04 0.00 0.36 0.00 0.00 54.97 54.71 3kr5 s GLU 422 Cb -0.09 -2.77 0.00 0.00 0.26 0.00 0.00 34.13 31.53 3kr5 s GLU 422 CO 0.02 -0.19 -0.23 0.42 -0.54 0.00 0.00 175.26 174.74 3kr5 s ILE 423 N 1.35 1.97 -0.22 -3.70 1.01 0.12 -0.15 121.20 121.58 3kr5 s ILE 423 Ca 0.05 -0.96 -0.07 0.00 0.00 0.00 0.00 60.65 59.66 3kr5 s ILE 423 Cb -0.14 -1.70 -0.03 0.00 0.01 0.00 0.00 42.46 40.60 3kr5 s ILE 423 CO -0.08 0.54 0.05 -1.00 0.00 0.00 0.00 174.94 174.45 3kr5 s HIS 424 N 0.37 3.11 -0.31 3.97 3.76 0.80 0.02 115.29 127.02 3kr5 s HIS 424 Ca -0.18 -0.30 -0.10 0.00 -0.15 0.00 0.00 55.06 54.32 3kr5 s HIS 424 Cb -0.18 -2.17 -0.01 0.00 1.11 0.00 0.00 32.58 31.33 3kr5 s HIS 424 CO 0.08 -0.20 0.17 -0.06 -0.85 0.00 0.00 174.74 173.88 3kr5 s PHE 425 N 1.18 3.18 -0.03 1.40 0.08 0.25 0.80 117.98 124.83 3kr5 s PHE 425 Ca 0.04 -0.43 0.05 0.00 0.12 0.00 0.00 56.93 56.71 3kr5 s PHE 425 Cb -0.14 -2.37 -0.01 0.00 -0.57 0.00 0.00 43.02 39.92 3kr5 s PHE 425 CO 0.03 -0.40 -0.19 -0.51 -0.10 0.00 0.00 175.22 174.04 3kr5 s LEU 426 N 1.65 1.99 -0.16 -0.37 1.43 0.14 -0.19 118.68 123.17 3kr5 s LEU 426 Ca 0.05 -0.38 -0.07 0.00 -1.03 0.00 0.00 54.13 52.70 3kr5 s LEU 426 Cb -0.17 -1.05 0.06 0.00 0.03 0.00 0.00 46.19 45.07 3kr5 s LEU 426 CO 0.07 0.20 0.35 -0.55 0.23 0.00 0.00 176.35 176.66 3kr5 s SER 427 N -0.20 -0.26 -0.85 2.29 0.15 -0.45 -0.35 113.70 114.03 3kr5 s SER 427 Ca 0.01 0.79 -0.24 0.00 0.70 0.00 0.00 55.95 57.21 3kr5 s SER 427 Cb -0.10 0.81 0.06 0.00 -1.71 0.00 0.00 66.02 65.08 3kr5 s SER 427 CO 0.01 -0.20 1.25 0.00 1.20 0.00 0.00 173.24 175.50 3kr5 s ALA 428 N 1.80 2.90 -0.05 5.45 0.00 -1.26 -0.01 121.76 130.59 3kr5 s ALA 428 Ca -0.06 -1.98 -0.16 0.00 0.00 0.00 0.00 51.96 49.76 3kr5 s ALA 428 Cb -0.10 -4.24 -0.05 0.00 0.00 0.00 0.00 23.12 18.73 3kr5 s ALA 428 CO -0.11 -3.25 0.44 0.08 0.00 0.00 0.00 175.76 172.91 3kr5 s VAL 429 N 4.68 5.09 0.18 0.00 1.01 -0.15 -4.02 120.40 127.19 3kr5 s VAL 429 Ca 0.36 0.88 -0.18 0.00 0.00 0.00 0.00 61.98 63.04 3kr5 s VAL 429 Cb -0.07 -3.76 0.07 0.00 0.00 0.00 0.00 36.38 32.62 3kr5 s VAL 429 CO 0.02 0.47 0.90 0.00 0.00 0.00 0.00 175.10 176.48 3kr5 s GLU 431 N -2.05 0.92 -0.50 0.00 2.12 -1.26 -0.98 118.70 116.95 3kr5 s GLU 431 Ca 0.20 -0.23 -0.16 0.00 0.36 0.00 0.00 54.97 55.14 3kr5 s GLU 431 Cb -0.03 -0.86 0.09 0.00 0.26 0.00 0.00 34.13 33.59 3kr5 s GLU 431 CO 0.06 0.04 0.45 1.21 -0.54 0.00 0.00 175.26 176.48 3kr5 s ASN 432 N 0.46 6.17 0.28 -1.70 2.47 0.22 -4.27 114.94 118.57 3kr5 s ASN 432 Ca -0.07 -1.43 0.04 0.00 0.42 0.00 0.00 52.86 51.82 3kr5 s ASN 432 Cb -0.11 -2.20 -0.06 0.00 -1.45 0.00 0.00 41.25 37.43 3kr5 s ASN 432 CO 0.01 -0.74 0.00 -0.04 -3.72 0.00 0.00 177.10 172.61 3kr5 s MET 433 N 1.74 1.51 -0.22 0.43 -1.94 -1.26 -1.34 119.30 118.21 3kr5 s MET 433 Ca 0.05 -1.79 -0.06 0.00 -1.71 0.00 0.00 55.69 52.18 3kr5 s MET 433 Cb -0.26 -0.86 -0.02 0.00 2.01 0.00 0.00 34.83 35.71 3kr5 s MET 433 CO 0.06 -0.09 0.02 0.08 -0.01 0.00 0.00 175.02 175.08 3kr5 s VAL 434 N -3.26 4.02 0.26 -6.03 1.01 -1.26 -4.47 120.40 110.66 3kr5 s VAL 434 Ca 0.32 -0.28 -0.14 0.00 0.00 0.00 0.00 61.98 61.88 3kr5 s VAL 434 Cb 0.06 -2.84 0.00 0.00 0.00 0.00 0.00 36.38 33.60 3kr5 s VAL 434 CO 0.12 0.39 0.53 -0.55 0.00 0.00 0.00 175.10 175.59 3kr5 s SER 435 N 1.32 -0.06 0.59 3.32 0.15 -1.26 -4.99 113.70 112.76 3kr5 s SER 435 Ca 0.04 -0.92 0.38 0.00 0.70 0.00 0.00 55.95 56.16 3kr5 s SER 435 Cb -0.15 0.62 1.87 0.00 -1.71 0.00 0.00 66.02 66.65 3kr5 s SER 435 CO 0.02 -1.20 2.16 0.07 1.20 0.00 0.00 173.24 175.48 3kr5 h LYS 436 N 2.20 0.00 -0.01 5.44 2.10 -1.97 -3.07 116.57 121.26 3kr5 h LYS 436 Ca -0.25 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.40 3kr5 h LYS 436 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 3kr5 h LYS 436 CO 0.34 0.00 -0.45 0.09 -2.00 0.00 0.00 179.45 177.43 3kr5 n ASN 437 N -3.03 1.34 -4.73 7.07 5.03 -1.26 -4.98 115.26 114.69 3kr5 n ASN 437 Ca -0.01 -1.07 -0.34 0.00 0.87 0.00 0.00 54.58 54.03 3kr5 n ASN 437 Cb 0.18 0.38 0.08 0.00 -1.02 0.00 0.00 39.78 39.40 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 -2.60 4.37 0.73 6.41 0.01 -1.16 -3.84 113.70 117.61 3kr5 s SER 438 Ca 0.19 2.30 -0.11 0.00 1.31 0.00 0.00 55.95 59.64 3kr5 s SER 438 Cb 0.18 -2.58 0.03 0.00 0.21 0.00 0.00 66.02 63.86 3kr5 s SER 438 CO 0.60 -2.14 1.07 -0.72 0.41 0.00 0.00 173.24 172.46 3kr5 s TYR 439 N -2.03 2.89 0.21 2.43 1.13 -1.26 -4.84 117.35 115.89 3kr5 s TYR 439 Ca 0.73 1.48 0.10 0.00 -1.41 0.00 0.00 57.07 57.97 3kr5 s TYR 439 Cb -0.28 -2.95 -0.04 0.00 -1.10 0.00 0.00 41.96 37.59 3kr5 s TYR 439 CO 0.44 -1.46 -0.12 1.03 -2.51 0.00 0.00 175.55 172.92 3kr5 s ARG 440 N -4.99 1.95 0.29 -3.49 0.52 -1.26 -4.59 118.95 107.38 3kr5 s ARG 440 Ca 0.59 -1.40 -0.30 0.00 -0.52 0.00 0.00 55.73 54.11 3kr5 s ARG 440 Cb -0.15 -2.05 -0.12 0.00 0.52 0.00 0.00 34.95 33.14 3kr5 s ARG 440 CO 0.55 0.41 1.44 -2.30 0.02 0.00 0.00 175.30 175.42 3kr5 n PRO 441 N -0.13 2.30 0.00 3.54 -0.02 -1.26 -1.57 135.00 137.85 3kr5 n PRO 441 Ca -0.10 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 3kr5 n PRO 441 Cb 0.57 -2.49 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 3kr5 n PRO 441 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3kr5 n GLY 442 N 1.66 2.57 3.56 -1.23 0.00 0.30 -5.01 105.19 107.03 3kr5 n GLY 442 Ca 0.08 -0.07 -0.45 0.00 0.00 0.00 0.00 46.02 45.58 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 0.06 0.87 -4.41 1.61 9.92 -0.61 -4.40 116.55 119.59 3kr5 n ASP 443 Ca 0.00 1.15 -0.35 0.00 -0.53 0.00 0.00 54.79 55.06 3kr5 n ASP 443 Cb 0.00 -1.24 -0.13 0.00 -0.64 0.00 0.00 41.12 39.11 3kr5 n ASP 443 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 3kr5 s ILE 444 N -1.09 3.86 0.26 0.53 1.01 -1.26 -0.74 121.20 123.76 3kr5 s ILE 444 Ca 0.60 -0.34 0.12 0.00 0.00 0.00 0.00 60.65 61.02 3kr5 s ILE 444 Cb -0.72 -2.75 -0.05 0.00 0.01 0.00 0.00 42.46 38.95 3kr5 s ILE 444 CO 0.59 0.42 -0.20 0.27 0.00 0.00 0.00 174.94 176.02 3kr5 s ILE 445 N 1.19 2.50 -0.21 2.92 -4.36 -0.07 -4.91 121.20 118.26 3kr5 s ILE 445 Ca 0.03 -2.29 -0.03 0.00 -0.26 0.00 0.00 60.65 58.11 3kr5 s ILE 445 Cb -0.15 -2.28 -0.00 0.00 1.25 0.00 0.00 42.46 41.28 3kr5 s ILE 445 CO 0.01 -0.32 -0.08 -0.89 0.24 0.00 0.00 174.94 173.90 3kr5 s THR 446 N -2.28 3.08 0.84 8.37 2.01 -1.26 0.53 115.64 126.93 3kr5 s THR 446 Ca 0.28 -0.60 -0.11 0.00 0.31 0.00 0.00 61.69 61.57 3kr5 s THR 446 Cb -0.06 -2.38 0.10 0.00 0.01 0.00 0.00 72.50 70.17 3kr5 s THR 446 CO 0.14 0.45 1.09 0.00 -0.69 0.00 0.00 174.62 175.61 3kr5 s ALA 447 N 1.39 1.91 0.32 7.40 0.00 0.36 -2.45 121.76 130.70 3kr5 s ALA 447 Ca 0.05 -0.10 0.36 0.00 0.00 0.00 0.00 51.96 52.27 3kr5 s ALA 447 Cb -0.14 -3.16 1.94 0.00 0.00 0.00 0.00 23.12 21.76 3kr5 s ALA 447 CO -0.05 -2.03 2.10 0.66 0.00 0.00 0.00 175.76 176.44 3kr5 h SER 448 N -1.31 0.00 -0.31 0.00 4.64 -1.65 0.88 113.55 115.80 3kr5 h SER 448 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3kr5 h SER 448 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3kr5 h SER 448 CO 0.56 0.00 0.00 -0.46 -0.87 0.00 0.00 176.83 176.06 3kr5 n ASN 449 N -2.77 2.24 0.00 4.97 6.94 -1.26 -4.92 115.26 120.46 3kr5 n ASN 449 Ca -0.02 -1.87 0.00 0.00 -0.02 0.00 0.00 54.58 52.67 3kr5 n ASN 449 Cb 0.06 -0.20 0.00 0.00 -2.36 0.00 0.00 39.78 37.28 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 1.22 1.88 3.71 4.83 0.00 0.30 -5.03 105.19 112.10 3kr5 n GLY 450 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 3kr5 n GLY 450 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kr5 s LYS 451 N -0.67 4.22 0.02 1.61 1.02 -1.26 -4.71 119.74 119.98 3kr5 s LYS 451 Ca 0.00 2.32 -0.23 0.00 0.02 0.00 0.00 55.97 58.08 3kr5 s LYS 451 Cb 0.00 -3.29 -0.05 0.00 -0.52 0.00 0.00 37.83 33.97 3kr5 s LYS 451 CO 0.00 -0.62 0.68 0.95 -0.92 0.00 0.00 175.35 175.44 3kr5 s THR 452 N 1.55 4.81 -0.11 2.17 -4.23 -1.26 -0.49 115.64 118.08 3kr5 s THR 452 Ca 0.70 1.44 0.04 0.00 -1.18 0.00 0.00 61.69 62.69 3kr5 s THR 452 Cb -0.42 -4.02 0.00 0.00 1.34 0.00 0.00 72.50 69.40 3kr5 s THR 452 CO 0.31 0.39 -0.23 -0.63 -0.54 0.00 0.00 174.62 173.92 3kr5 s ILE 453 N -0.14 2.06 -0.26 2.99 1.01 0.19 -1.18 121.20 125.87 3kr5 s ILE 453 Ca 0.35 -1.01 -0.18 0.00 0.00 0.00 0.00 60.65 59.81 3kr5 s ILE 453 Cb -0.19 -1.79 -0.03 0.00 0.01 0.00 0.00 42.46 40.46 3kr5 s ILE 453 CO 0.20 0.56 0.53 -0.70 0.00 0.00 0.00 174.94 175.53 3kr5 s GLU 454 N 0.49 4.08 -0.41 2.79 2.12 0.03 -0.89 118.70 126.90 3kr5 s GLU 454 Ca -0.15 0.35 -0.28 0.00 0.36 0.00 0.00 54.97 55.24 3kr5 s GLU 454 Cb -0.17 -3.65 0.02 0.00 0.26 0.00 0.00 34.13 30.59 3kr5 s GLU 454 CO 0.06 -0.36 1.08 0.08 -0.54 0.00 0.00 175.26 175.58 3kr5 s VAL 455 N 2.32 4.37 -0.17 3.70 1.01 0.08 -1.68 120.40 130.03 3kr5 s VAL 455 Ca 0.22 1.37 0.19 0.00 0.00 0.00 0.00 61.98 63.76 3kr5 s VAL 455 Cb -0.16 -4.50 -0.08 0.00 0.00 0.00 0.00 36.38 31.65 3kr5 s VAL 455 CO 0.09 -0.76 0.92 0.61 0.00 0.00 0.00 175.10 175.97 3kr5 n GLY 456 N 4.46 -1.32 3.37 4.51 0.00 -1.26 0.11 105.19 115.06 3kr5 n GLY 456 Ca 0.11 -0.17 -0.02 0.00 0.00 0.00 0.00 46.02 45.95 3kr5 n GLY 456 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3kr5 s ASN 457 N -5.60 -0.90 0.50 1.61 3.84 -1.26 -4.74 114.94 108.37 3kr5 s ASN 457 Ca -0.02 1.15 0.33 0.00 0.21 0.00 0.00 52.86 54.53 3kr5 s ASN 457 Cb 0.09 1.97 1.59 0.00 -0.55 0.00 0.00 41.25 44.35 3kr5 s ASN 457 CO 0.80 -0.24 2.00 0.71 -2.79 0.00 0.00 177.10 177.58 3kr5 h THR 458 N 6.05 0.00 0.00 -5.21 1.35 -1.90 -0.41 112.91 112.79 3kr5 h THR 458 Ca -0.19 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 3kr5 h THR 458 Cb 1.12 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 3kr5 h THR 458 CO 0.16 0.00 0.00 -0.67 -0.25 0.00 0.00 175.52 174.76 3kr5 n ASP 459 N -2.80 0.00 -2.93 5.36 2.03 -0.57 -3.53 116.55 114.12 3kr5 n ASP 459 Ca -0.01 0.38 -0.35 0.00 0.52 0.00 0.00 54.79 55.33 3kr5 n ASP 459 Cb 0.18 -0.46 -0.01 0.00 -0.72 0.00 0.00 41.12 40.11 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 -1.46 6.48 0.08 -1.67 0.00 -0.16 -4.65 120.51 119.13 3kr5 n ALA 460 Ca 0.08 -3.76 -0.00 0.00 0.00 0.00 0.00 53.44 49.76 3kr5 n ALA 460 Cb 0.29 -2.20 -0.04 0.00 0.00 0.00 0.00 19.45 17.50 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 3.39 0.00 0.02 0.00 9.09 -1.78 -3.35 114.58 121.95 3kr5 h GLU 461 Ca 0.52 0.00 0.02 0.00 0.05 0.00 0.00 59.36 59.95 3kr5 h GLU 461 Cb 0.38 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.45 3kr5 h GLU 461 CO 1.19 0.51 -0.18 0.78 0.05 0.00 0.00 179.01 181.36 3kr5 h GLY 462 N 3.49 -0.25 2.00 1.06 0.00 -1.91 -1.23 103.07 106.23 3kr5 h GLY 462 Ca -0.07 0.21 -0.04 0.00 0.00 0.00 0.00 47.33 47.43 3kr5 h GLY 462 CO 0.07 -0.17 -0.17 0.07 0.00 0.00 0.00 176.54 176.35 3kr5 h ARG 463 N -0.30 0.00 -0.12 4.80 0.11 -1.94 0.31 114.38 117.24 3kr5 h ARG 463 Ca 0.05 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.12 3kr5 h ARG 463 Cb 0.36 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.43 3kr5 h ARG 463 CO -0.15 0.17 0.04 -0.07 0.10 0.00 0.00 179.97 180.06 3kr5 h LEU 464 N 0.00 0.17 -0.58 0.08 3.38 -1.47 -0.66 115.31 116.24 3kr5 h LEU 464 Ca -0.00 -0.18 -0.15 0.00 0.09 0.00 0.00 57.88 57.64 3kr5 h LEU 464 Cb 0.32 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3kr5 h LEU 464 CO 0.02 0.31 -0.48 0.71 0.09 0.00 0.00 178.44 179.08 3kr5 h THR 465 N 0.02 1.31 -0.13 0.22 1.35 0.22 -2.86 112.91 113.04 3kr5 h THR 465 Ca 0.04 -1.70 -0.10 0.00 -0.55 0.00 0.00 66.41 64.10 3kr5 h THR 465 Cb 0.19 1.67 -0.01 0.00 -1.73 0.00 0.00 68.15 68.27 3kr5 h THR 465 CO -0.00 0.53 -0.38 -0.07 -0.25 0.00 0.00 175.52 175.35 3kr5 h LEU 466 N 0.45 0.29 -0.19 3.87 3.38 -0.45 -1.84 115.31 120.82 3kr5 h LEU 466 Ca 0.02 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 57.92 3kr5 h LEU 466 Cb 1.01 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.63 3kr5 h LEU 466 CO 0.09 0.65 -0.13 0.00 0.09 0.00 0.00 178.44 179.14 3kr5 h ALA 467 N 1.37 0.02 -0.16 1.53 0.00 -0.87 0.79 119.26 121.94 3kr5 h ALA 467 Ca 0.03 0.07 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 3kr5 h ALA 467 Cb 0.78 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3kr5 h ALA 467 CO 0.06 -0.56 -0.50 -0.44 0.00 0.00 0.00 179.25 177.82 3kr5 h ASP 468 N -0.13 0.46 -0.68 0.00 3.32 -1.51 -1.68 116.42 116.21 3kr5 h ASP 468 Ca 0.11 -0.23 -0.07 0.00 0.02 0.00 0.00 57.03 56.87 3kr5 h ASP 468 Cb 0.30 -0.13 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 3kr5 h ASP 468 CO -0.27 0.88 0.16 0.00 -1.72 0.00 0.00 179.24 178.29 3kr5 h ALA 469 N 1.14 0.98 -0.23 3.45 0.00 -0.41 -1.30 119.26 122.89 3kr5 h ALA 469 Ca 0.02 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 3kr5 h ALA 469 Cb 0.99 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3kr5 h ALA 469 CO 0.09 0.66 -0.00 -0.07 0.00 0.00 0.00 179.25 179.92 3kr5 h LEU 470 N 1.04 0.39 -0.94 0.00 3.38 0.92 0.17 115.31 120.28 3kr5 h LEU 470 Ca 0.22 -0.31 0.07 0.00 0.09 0.00 0.00 57.88 57.94 3kr5 h LEU 470 Cb 0.37 -0.11 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 3kr5 h LEU 470 CO 0.00 0.61 0.59 0.58 0.09 0.00 0.00 178.44 180.32 3kr5 h VAL 471 N 0.17 1.05 0.08 1.22 2.07 -1.26 0.42 116.25 120.00 3kr5 h VAL 471 Ca 0.06 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 3kr5 h VAL 471 Cb 0.41 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.07 3kr5 h VAL 471 CO 0.01 0.19 -0.04 0.22 0.02 0.00 0.00 177.57 177.98 3kr5 h TYR 472 N 1.06 -0.10 -0.54 1.57 3.20 -0.86 -2.17 116.97 119.14 3kr5 h TYR 472 Ca 0.41 -0.00 0.05 0.00 3.14 0.00 0.00 58.73 62.33 3kr5 h TYR 472 Cb 0.21 0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.46 3kr5 h TYR 472 CO -0.02 0.03 0.27 0.00 -1.64 0.00 0.00 178.16 176.80 3kr5 h ALA 473 N 0.71 0.69 -0.15 1.82 0.00 -0.13 -1.99 119.26 120.22 3kr5 h ALA 473 Ca -0.01 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3kr5 h ALA 473 Cb 0.17 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3kr5 h ALA 473 CO 0.02 -0.07 -0.28 1.49 0.00 0.00 0.00 179.25 180.40 3kr5 h GLU 474 N 0.53 0.28 0.00 0.00 4.81 -0.89 -1.06 114.58 118.24 3kr5 h GLU 474 Ca 0.24 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3kr5 h GLU 474 Cb 0.15 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.51 3kr5 h GLU 474 CO -0.17 0.54 0.00 0.87 -0.73 0.00 0.00 179.01 179.53 3kr5 h LYS 475 N 0.25 0.00 0.00 1.92 1.57 -0.68 -1.20 116.57 118.42 3kr5 h LYS 475 Ca 0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3kr5 h LYS 475 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 3kr5 h LYS 475 CO 0.05 0.00 0.00 -0.07 -0.57 0.00 0.00 179.45 178.86 3kr5 h LEU 476 N 0.00 0.00 -2.19 2.94 4.07 -0.93 -3.47 115.31 115.73 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 0.15 0.00 0.11 0.00 1.08 0.00 0.00 40.66 42.00 3kr5 h LEU 476 CO 0.00 0.00 -0.48 0.61 -1.08 0.00 0.00 178.44 177.49 3kr5 n GLY 477 N 0.62 -0.16 3.98 0.83 0.00 -0.45 -5.05 105.19 104.96 3kr5 n GLY 477 Ca 0.03 0.03 -0.20 0.00 0.00 0.00 0.00 46.02 45.88 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 -3.22 2.94 -0.07 1.61 -7.23 -1.26 -4.93 120.40 108.24 3kr5 s VAL 478 Ca 0.12 -0.76 -0.03 0.00 -1.81 0.00 0.00 61.98 59.51 3kr5 s VAL 478 Cb -0.02 -3.06 -0.27 0.00 0.56 0.00 0.00 36.38 33.60 3kr5 s VAL 478 CO 0.43 -0.04 0.58 0.44 -0.31 0.00 0.00 175.10 176.20 3kr5 h ASP 479 N 0.29 0.36 -4.25 4.85 3.32 -0.79 -3.47 116.42 116.73 3kr5 h ASP 479 Ca -0.42 -0.68 -0.50 0.00 0.02 0.00 0.00 57.03 55.45 3kr5 h ASP 479 Cb 1.29 -0.12 -0.29 0.00 0.22 0.00 0.00 39.33 40.43 3kr5 h ASP 479 CO 0.51 1.59 -0.82 -0.31 -1.72 0.00 0.00 179.24 178.49 3kr5 s TYR 480 N -2.58 1.36 -0.17 4.55 2.02 -0.99 -3.87 117.35 117.67 3kr5 s TYR 480 Ca -0.15 -0.26 0.00 0.00 -0.37 0.00 0.00 57.07 56.29 3kr5 s TYR 480 Cb 0.07 -0.87 0.01 0.00 -0.40 0.00 0.00 41.96 40.76 3kr5 s TYR 480 CO 0.81 -0.02 -0.17 0.42 -1.57 0.00 0.00 175.55 175.02 3kr5 s ILE 481 N -0.39 2.38 -0.17 2.71 1.01 -0.48 -0.12 121.20 126.14 3kr5 s ILE 481 Ca 0.06 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 59.87 3kr5 s ILE 481 Cb -0.06 -2.01 0.02 0.00 0.01 0.00 0.00 42.46 40.42 3kr5 s ILE 481 CO -0.00 0.52 -0.20 -0.69 0.00 0.00 0.00 174.94 174.57 3kr5 s VAL 482 N 1.15 2.01 0.04 2.92 1.01 -0.10 -0.99 120.40 126.44 3kr5 s VAL 482 Ca 0.01 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.09 3kr5 s VAL 482 Cb -0.14 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 3kr5 s VAL 482 CO -0.07 0.53 0.10 1.51 0.00 0.00 0.00 175.10 177.17 3kr5 s ASP 483 N 1.28 5.70 -0.04 3.32 1.47 -0.04 -0.44 116.67 127.92 3kr5 s ASP 483 Ca 0.04 0.09 0.00 0.00 1.18 0.00 0.00 52.55 53.86 3kr5 s ASP 483 Cb -0.13 -1.60 0.03 0.00 -0.34 0.00 0.00 42.92 40.87 3kr5 s ASP 483 CO -0.12 0.21 -0.01 -0.51 0.68 0.00 0.00 175.17 175.42 3kr5 s ILE 484 N -1.33 0.25 -0.16 2.11 2.07 0.83 0.22 121.20 125.19 3kr5 s ILE 484 Ca 0.28 0.07 -0.20 0.00 -1.41 0.00 0.00 60.65 59.38 3kr5 s ILE 484 Cb -0.12 -0.35 0.05 0.00 0.13 0.00 0.00 42.46 42.17 3kr5 s ILE 484 CO 0.20 0.17 0.54 0.00 -1.91 0.00 0.00 174.94 173.94 3kr5 s ALA 485 N 1.15 -1.36 -1.33 1.50 0.00 -0.04 -1.37 121.76 120.32 3kr5 s ALA 485 Ca -0.08 1.39 -0.16 0.00 0.00 0.00 0.00 51.96 53.11 3kr5 s ALA 485 Cb -0.13 -0.67 0.08 0.00 0.00 0.00 0.00 23.12 22.39 3kr5 s ALA 485 CO -0.02 -0.28 1.83 0.25 0.00 0.00 0.00 175.76 177.55 3kr5 n THR 486 N 2.36 3.88 -0.05 0.00 -2.24 -1.26 -0.34 114.28 116.62 3kr5 n THR 486 Ca -0.15 -3.92 -0.21 0.00 -2.27 0.00 0.00 64.05 57.49 3kr5 n THR 486 Cb 0.56 -2.42 -0.13 0.00 -2.10 0.00 0.00 70.33 66.24 3kr5 n THR 486 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3kr5 n LEU 487 N 7.50 2.56 -3.74 3.22 7.94 -1.26 -4.73 117.00 128.49 3kr5 n LEU 487 Ca 0.48 0.17 -0.18 0.00 -1.11 0.00 0.00 56.01 55.38 3kr5 n LEU 487 Cb 0.44 -1.03 -0.17 0.00 0.53 0.00 0.00 43.42 43.19 3kr5 n LEU 487 CO 0.79 0.77 -0.35 0.42 -1.11 0.00 0.00 177.39 177.91 3kr5 s THR 488 N -2.52 -0.01 0.60 1.96 -4.23 -1.26 -4.95 115.64 105.23 3kr5 s THR 488 Ca -0.27 0.27 0.29 0.00 -1.18 0.00 0.00 61.69 60.80 3kr5 s THR 488 Cb 0.08 -0.17 0.37 0.00 1.34 0.00 0.00 72.50 74.11 3kr5 s THR 488 CO 0.69 0.14 2.01 1.23 -0.54 0.00 0.00 174.62 178.15 3kr5 h GLY 489 N 7.79 0.00 1.91 3.99 0.00 -1.92 -1.83 103.07 113.01 3kr5 h GLY 489 Ca -0.31 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.03 3kr5 h GLY 489 CO 0.34 0.00 0.04 0.00 0.00 0.00 0.00 176.54 176.92 3kr5 h ALA 490 N 1.61 1.36 -0.80 3.60 0.00 -1.96 -0.82 119.26 122.26 3kr5 h ALA 490 Ca 0.13 -0.00 0.14 0.00 0.00 0.00 0.00 54.91 55.18 3kr5 h ALA 490 Cb 0.77 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.51 3kr5 h ALA 490 CO -0.00 -0.05 0.53 0.52 0.00 0.00 0.00 179.25 180.24 3kr5 h MET 491 N 0.00 0.53 -0.01 0.00 2.86 -1.71 0.50 114.93 117.10 3kr5 h MET 491 Ca 0.01 -0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 3kr5 h MET 491 Cb 0.09 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 31.63 3kr5 h MET 491 CO -0.00 0.35 -0.04 -0.07 1.06 0.00 0.00 176.91 178.21 3kr5 h LEU 492 N 0.55 0.01 0.00 1.22 3.38 -1.35 0.98 115.31 120.09 3kr5 h LEU 492 Ca 0.39 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.28 3kr5 h LEU 492 Cb 0.74 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 3kr5 h LEU 492 CO -0.15 0.05 -1.10 1.88 0.09 0.00 0.00 178.44 179.21 3kr5 h TYR 493 N 0.01 0.00 0.00 1.13 -1.99 -0.20 -3.24 116.97 112.68 3kr5 h TYR 493 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 3kr5 h TYR 493 Cb 0.07 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.80 3kr5 h TYR 493 CO 0.00 0.30 -0.25 -1.13 -0.00 0.00 0.00 178.16 177.08 3kr5 n SER 494 N -2.84 0.75 -0.01 3.88 3.41 -0.36 -4.78 113.62 113.66 3kr5 n SER 494 Ca -0.04 0.35 0.09 0.00 -0.26 0.00 0.00 58.87 59.01 3kr5 n SER 494 Cb 0.70 -0.64 -0.14 0.00 -0.26 0.00 0.00 64.21 63.87 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 -3.24 0.01 0.00 1.04 4.77 0.22 -5.09 117.00 114.72 3kr5 n LEU 495 Ca -0.04 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 3kr5 n LEU 495 Cb 0.13 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 3kr5 n LEU 495 CO 0.05 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.73 3kr5 n GLY 496 N 1.47 -0.20 0.65 -0.72 0.00 -0.48 -4.27 105.19 101.64 3kr5 n GLY 496 Ca -0.03 -1.46 0.12 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.07 2.61 -2.24 -1.26 -4.17 114.28 109.15 3kr5 n THR 497 Ca 0.00 -0.34 -0.09 0.00 -2.27 0.00 0.00 64.05 61.35 3kr5 n THR 497 Cb 0.00 1.13 -0.08 0.00 -2.10 0.00 0.00 70.33 69.28 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 0.49 2.64 -4.44 3.42 7.64 -1.26 -4.34 113.62 117.77 3kr5 n SER 498 Ca 0.13 -0.06 -0.33 0.00 1.01 0.00 0.00 58.87 59.62 3kr5 n SER 498 Cb 0.49 0.06 -0.13 0.00 -1.01 0.00 0.00 64.21 63.62 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 -2.29 2.94 0.75 1.43 4.12 -1.26 -4.43 117.35 118.60 3kr5 s TYR 499 Ca -0.16 -0.47 -0.12 0.00 0.02 0.00 0.00 57.07 56.35 3kr5 s TYR 499 Cb 0.05 -1.92 0.04 0.00 -1.52 0.00 0.00 41.96 38.61 3kr5 s TYR 499 CO 0.38 -0.13 1.13 0.00 0.02 0.00 0.00 175.55 176.95 3kr5 s ALA 500 N 0.41 2.74 0.01 3.71 0.00 -0.11 -4.57 121.76 123.95 3kr5 s ALA 500 Ca -0.06 -0.44 0.01 0.00 0.00 0.00 0.00 51.96 51.46 3kr5 s ALA 500 Cb -0.15 -3.01 -0.04 0.00 0.00 0.00 0.00 23.12 19.92 3kr5 s ALA 500 CO 0.04 -1.39 0.04 0.20 0.00 0.00 0.00 175.76 174.65 3kr5 s GLY 501 N -4.40 1.95 -0.08 0.00 0.00 -1.03 -0.10 107.32 103.68 3kr5 s GLY 501 Ca 0.60 -0.94 0.03 0.00 0.00 0.00 0.00 44.72 44.41 3kr5 s GLY 501 CO 0.51 -0.83 -0.15 0.54 0.00 0.00 0.00 173.10 173.18 3kr5 s VAL 502 N -1.18 1.34 0.15 1.40 0.11 0.60 -0.60 120.40 122.22 3kr5 s VAL 502 Ca 0.22 -0.60 0.09 0.00 -2.93 0.00 0.00 61.98 58.77 3kr5 s VAL 502 Cb -0.12 -1.21 -0.04 0.00 -1.53 0.00 0.00 36.38 33.48 3kr5 s VAL 502 CO 0.14 0.40 -0.20 -0.36 -3.33 0.00 0.00 175.10 171.75 3kr5 s PHE 503 N 0.63 1.90 0.14 1.54 0.08 0.46 -0.40 117.98 122.33 3kr5 s PHE 503 Ca -0.15 -0.44 -0.24 0.00 0.12 0.00 0.00 56.93 56.23 3kr5 s PHE 503 Cb -0.16 -0.98 0.08 0.00 -0.57 0.00 0.00 43.02 41.39 3kr5 s PHE 503 CO 0.04 0.32 1.06 0.20 -0.10 0.00 0.00 175.22 176.75 3kr5 s GLY 504 N -2.43 -0.05 0.00 4.36 0.00 -1.26 0.11 107.32 108.05 3kr5 s GLY 504 Ca 0.14 -0.08 0.17 0.00 0.00 0.00 0.00 44.72 44.95 3kr5 s GLY 504 CO 0.06 1.78 1.22 1.16 0.00 0.00 0.00 173.10 177.32 3kr5 n ASN 505 N -0.94 2.93 -3.69 1.64 0.23 -0.09 -4.78 115.26 110.56 3kr5 n ASN 505 Ca -0.04 -1.86 -0.14 0.00 -0.53 0.00 0.00 54.58 52.01 3kr5 n ASN 505 Cb 0.60 -0.17 -0.14 0.00 -2.08 0.00 0.00 39.78 37.99 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 -1.26 0.28 0.04 0.53 3.84 -1.26 -4.87 114.94 112.22 3kr5 s ASN 506 Ca 0.28 0.43 -0.21 0.00 0.21 0.00 0.00 52.86 53.57 3kr5 s ASN 506 Cb 0.17 0.39 -0.15 0.00 -0.55 0.00 0.00 41.25 41.11 3kr5 s ASN 506 CO 0.24 -0.21 1.37 -0.33 -2.79 0.00 0.00 177.10 175.38 3kr5 h GLU 507 N 7.89 0.28 -0.42 0.43 5.08 -1.96 -2.14 114.58 123.73 3kr5 h GLU 507 Ca -0.25 -0.13 0.07 0.00 -1.00 0.00 0.00 59.36 58.06 3kr5 h GLU 507 Cb 1.13 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.31 3kr5 h GLU 507 CO 0.24 0.63 0.04 0.93 -1.00 0.00 0.00 179.01 179.85 3kr5 h GLU 508 N -0.08 0.15 -0.49 2.33 4.39 -1.99 0.49 114.58 119.39 3kr5 h GLU 508 Ca 0.03 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.71 3kr5 h GLU 508 Cb 0.56 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.15 3kr5 h GLU 508 CO 0.02 0.10 0.29 1.25 -1.16 0.00 0.00 179.01 179.51 3kr5 h LEU 509 N 0.16 0.59 -0.40 1.33 5.85 -1.96 -0.18 115.31 120.71 3kr5 h LEU 509 Ca 0.21 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.92 3kr5 h LEU 509 Cb 0.28 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 3kr5 h LEU 509 CO -0.31 0.48 0.13 0.40 -0.34 0.00 0.00 178.44 178.80 3kr5 h ILE 510 N 0.65 0.86 -0.89 4.05 2.04 -0.76 -0.92 117.51 122.54 3kr5 h ILE 510 Ca 0.17 -0.10 -0.01 0.00 1.00 0.00 0.00 64.86 65.92 3kr5 h ILE 510 Cb 0.01 0.55 -0.04 0.00 -0.74 0.00 0.00 36.82 36.60 3kr5 h ILE 510 CO -0.03 0.05 0.50 0.78 0.00 0.00 0.00 178.15 179.45 3kr5 h ASN 511 N 0.28 1.09 -0.43 1.72 2.35 -0.51 0.19 115.58 120.27 3kr5 h ASN 511 Ca 0.19 -0.09 0.04 0.00 -0.55 0.00 0.00 56.30 55.89 3kr5 h ASN 511 Cb 0.18 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.24 3kr5 h ASN 511 CO -0.20 0.86 0.20 0.11 -1.65 0.00 0.00 177.43 176.75 3kr5 h LYS 512 N 1.23 0.38 -0.58 0.81 1.57 -0.49 0.19 116.57 119.69 3kr5 h LYS 512 Ca 0.31 -0.02 0.04 0.00 -1.87 0.00 0.00 60.65 59.11 3kr5 h LYS 512 Cb 0.00 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.18 3kr5 h LYS 512 CO -0.05 0.25 0.33 0.82 -0.57 0.00 0.00 179.45 180.23 3kr5 h ILE 513 N 0.39 1.01 -0.42 1.86 1.08 -0.18 0.13 117.51 121.38 3kr5 h ILE 513 Ca 0.19 -0.22 -0.03 0.00 -0.39 0.00 0.00 64.86 64.41 3kr5 h ILE 513 Cb 0.12 0.32 -0.02 0.00 -3.07 0.00 0.00 36.82 34.18 3kr5 h ILE 513 CO -0.15 0.12 0.15 -0.07 -0.69 0.00 0.00 178.15 177.51 3kr5 h LEU 514 N 0.63 0.60 -1.13 1.44 3.38 0.16 0.32 115.31 120.71 3kr5 h LEU 514 Ca 0.24 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3kr5 h LEU 514 Cb 0.09 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3kr5 h LEU 514 CO -0.14 0.62 0.39 -0.61 0.09 0.00 0.00 178.44 178.80 3kr5 h GLN 515 N 0.54 1.00 -0.20 1.13 5.75 -0.42 -0.66 115.11 122.24 3kr5 h GLN 515 Ca 0.14 -0.11 -0.07 0.00 -0.15 0.00 0.00 58.65 58.47 3kr5 h GLN 515 Cb 0.22 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.56 3kr5 h GLN 515 CO -0.01 0.73 -0.16 0.77 -2.65 0.00 0.00 178.83 177.51 3kr5 h SER 516 N 1.00 0.33 -0.09 -0.69 0.02 0.16 -0.48 113.55 113.80 3kr5 h SER 516 Ca 0.25 -0.08 -0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3kr5 h SER 516 Cb 0.03 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 3kr5 h SER 516 CO -0.04 0.52 0.05 -1.28 -1.14 0.00 0.00 176.83 174.94 3kr5 h SER 517 N 0.32 0.12 -0.38 3.07 0.87 0.47 -0.51 113.55 117.51 3kr5 h SER 517 Ca 0.06 -0.12 0.02 0.00 -1.23 0.00 0.00 61.79 60.52 3kr5 h SER 517 Cb 0.48 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.38 3kr5 h SER 517 CO 0.03 0.21 0.21 0.11 -0.53 0.00 0.00 176.83 176.86 3kr5 h LYS 518 N 0.03 0.41 0.00 2.24 1.79 -0.50 0.80 116.57 121.34 3kr5 h LYS 518 Ca 0.03 -0.02 -0.12 0.00 -2.18 0.00 0.00 60.65 58.36 3kr5 h LYS 518 Cb 0.12 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.66 3kr5 h LYS 518 CO -0.00 0.27 -0.61 1.79 -1.08 0.00 0.00 179.45 179.82 3kr5 h THR 519 N 0.42 0.89 0.00 -0.16 1.35 -1.01 -3.19 112.91 111.21 3kr5 h THR 519 Ca 0.16 -2.28 -0.10 0.00 -0.55 0.00 0.00 66.41 63.63 3kr5 h THR 519 Cb 0.04 2.42 -0.02 0.00 -1.73 0.00 0.00 68.15 68.86 3kr5 h THR 519 CO -0.09 0.51 -0.96 0.77 -0.25 0.00 0.00 175.52 175.49 3kr5 h SER 520 N 0.00 0.00 -1.12 5.36 4.64 -0.97 -3.46 113.55 118.00 3kr5 h SER 520 Ca -0.02 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.10 3kr5 h SER 520 Cb 1.43 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.48 3kr5 h SER 520 CO 0.07 0.40 -0.23 0.59 -0.87 0.00 0.00 176.83 176.78 3kr5 n ASN 521 N -2.96 -3.66 -4.27 4.97 3.02 0.26 -4.86 115.26 107.77 3kr5 n ASN 521 Ca -0.03 0.08 -0.43 0.00 -0.03 0.00 0.00 54.58 54.16 3kr5 n ASN 521 Cb 0.73 -2.62 -0.07 0.00 -0.61 0.00 0.00 39.78 37.20 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 -3.95 2.72 0.16 3.52 2.02 -1.17 -4.92 118.70 117.08 3kr5 s GLU 522 Ca 0.00 -1.66 -0.31 0.00 0.02 0.00 0.00 54.97 53.02 3kr5 s GLU 522 Cb 0.00 -4.05 -0.10 0.00 0.10 0.00 0.00 34.13 30.08 3kr5 s GLU 522 CO 0.00 -1.19 1.52 -2.14 0.02 0.00 0.00 175.26 173.47 3kr5 s PRO 523 N 1.48 4.24 0.03 0.39 0.02 -1.26 -4.56 135.00 135.34 3kr5 s PRO 523 Ca 0.04 2.29 0.03 0.00 0.02 0.00 0.00 61.00 63.39 3kr5 s PRO 523 Cb -0.27 -3.17 -0.02 0.00 0.02 0.00 0.00 34.50 31.06 3kr5 s PRO 523 CO 0.02 -0.55 -0.10 0.08 -0.33 0.00 0.00 177.00 176.12 3kr5 s VAL 524 N 1.03 0.77 -0.02 3.83 1.01 -1.26 -0.93 120.40 124.83 3kr5 s VAL 524 Ca 0.68 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.87 3kr5 s VAL 524 Cb -0.42 -0.73 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 3kr5 s VAL 524 CO 0.32 -0.09 -0.17 0.86 0.00 0.00 0.00 175.10 176.02 3kr5 s TRP 525 N -0.84 1.60 -0.12 5.22 -0.11 0.86 -4.89 118.94 120.67 3kr5 s TRP 525 Ca -0.02 -0.34 -0.30 0.00 1.22 0.00 0.00 56.10 56.66 3kr5 s TRP 525 Cb -0.07 -1.04 -0.02 0.00 -1.50 0.00 0.00 33.47 30.83 3kr5 s TRP 525 CO 0.01 -0.06 1.26 -0.46 -4.62 0.00 0.00 176.95 173.07 3kr5 s TRP 526 N -0.30 2.94 0.12 5.86 -0.00 -1.26 -0.29 118.94 126.01 3kr5 s TRP 526 Ca 0.04 1.05 0.09 0.00 -0.00 0.00 0.00 56.10 57.28 3kr5 s TRP 526 Cb -0.08 -3.49 -0.04 0.00 -0.00 0.00 0.00 33.47 29.86 3kr5 s TRP 526 CO -0.00 -1.66 -0.18 -0.51 -0.00 0.00 0.00 176.95 174.60 3kr5 s LEU 527 N 3.02 2.69 0.29 5.86 1.43 0.46 -4.88 118.68 127.53 3kr5 s LEU 527 Ca 0.56 -0.58 -0.19 0.00 -1.03 0.00 0.00 54.13 52.89 3kr5 s LEU 527 Cb -0.23 -1.52 -0.09 0.00 0.03 0.00 0.00 46.19 44.38 3kr5 s LEU 527 CO 0.18 0.17 0.77 -2.16 0.23 0.00 0.00 176.35 175.54 3kr5 s PRO 528 N -2.20 4.20 -0.54 1.29 0.04 -1.26 -4.31 135.00 132.22 3kr5 s PRO 528 Ca 0.18 0.87 -0.18 0.00 0.04 0.00 0.00 61.00 61.91 3kr5 s PRO 528 Cb -0.10 -2.66 0.09 0.00 0.04 0.00 0.00 34.50 31.87 3kr5 s PRO 528 CO 0.10 0.26 0.60 0.42 0.04 0.00 0.00 177.00 178.43 3kr5 s ILE 529 N -1.75 4.95 -0.48 0.56 1.01 -1.26 -4.80 121.20 119.44 3kr5 s ILE 529 Ca 0.49 -0.89 -0.25 0.00 0.00 0.00 0.00 60.65 60.00 3kr5 s ILE 529 Cb -0.14 -4.35 0.03 0.00 0.01 0.00 0.00 42.46 38.01 3kr5 s ILE 529 CO 0.19 -0.90 0.91 -0.63 0.00 0.00 0.00 174.94 174.52 3kr5 s ILE 530 N 2.37 4.47 0.40 2.92 1.01 -1.26 -4.91 121.20 126.19 3kr5 s ILE 530 Ca 0.10 0.60 0.20 0.00 0.00 0.00 0.00 60.65 61.55 3kr5 s ILE 530 Cb -0.23 -4.45 0.21 0.00 0.01 0.00 0.00 42.46 38.00 3kr5 s ILE 530 CO 0.08 -0.89 1.97 0.78 0.00 0.00 0.00 174.94 176.88 3kr5 h ASN 531 N 9.13 0.00 -1.00 3.58 2.35 -1.99 -1.92 115.58 125.73 3kr5 h ASN 531 Ca -0.25 0.00 0.27 0.00 -0.55 0.00 0.00 56.30 55.77 3kr5 h ASN 531 Cb 1.08 0.00 -0.06 0.00 0.05 0.00 0.00 38.32 39.38 3kr5 h ASN 531 CO 1.03 0.21 0.68 -0.08 -1.65 0.00 0.00 177.43 177.63 3kr5 h GLU 532 N 0.00 0.20 0.00 0.81 4.81 -2.04 0.15 114.58 118.51 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 0.44 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.77 3kr5 h GLU 532 CO 0.03 0.13 0.00 0.66 -0.73 0.00 0.00 179.01 179.10 3kr5 n TYR 533 N -4.41 0.81 -0.35 0.92 0.53 -0.72 -3.99 117.16 109.95 3kr5 n TYR 533 Ca 0.22 0.27 0.13 0.00 -1.02 0.00 0.00 57.90 57.50 3kr5 n TYR 533 Cb 0.94 -0.93 0.33 0.00 -1.03 0.00 0.00 39.34 38.65 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 0.71 -0.02 -0.72 9.65 -0.83 -0.77 114.38 122.41 3kr5 h ARG 534 Ca 0.00 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 3kr5 h ARG 534 Cb 0.58 -0.16 -0.00 0.00 -1.39 0.00 0.00 29.97 29.00 3kr5 h ARG 534 CO 0.00 0.47 0.01 0.00 2.80 0.00 0.00 179.97 183.25 3kr5 h ALA 535 N 1.66 2.00 0.00 2.80 0.00 -1.76 -0.31 119.26 123.65 3kr5 h ALA 535 Ca 0.59 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.50 3kr5 h ALA 535 Cb 0.94 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.73 3kr5 h ALA 535 CO -0.40 -0.02 0.00 0.25 0.00 0.00 0.00 179.25 179.08 3kr5 n THR 536 N -4.51 0.08 0.63 0.00 -2.24 -0.29 -1.19 114.28 106.75 3kr5 n THR 536 Ca -0.03 0.02 0.12 0.00 -2.27 0.00 0.00 64.05 61.89 3kr5 n THR 536 Cb 0.10 -0.65 0.22 0.00 -2.10 0.00 0.00 70.33 67.91 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 -1.07 3.06 -4.55 3.22 4.77 -0.13 -4.18 117.00 118.12 3kr5 n LEU 537 Ca 0.16 -1.25 -0.39 0.00 -0.03 0.00 0.00 56.01 54.50 3kr5 n LEU 537 Cb 0.11 -0.17 -0.03 0.00 -2.33 0.00 0.00 43.42 41.00 3kr5 n LEU 537 CO 0.14 0.62 1.53 0.20 -1.33 0.00 0.00 177.39 178.56 3kr5 s ASN 538 N -1.63 5.44 0.42 -1.43 0.01 -0.33 0.65 114.94 118.07 3kr5 s ASN 538 Ca 0.36 0.23 -0.24 0.00 -0.71 0.00 0.00 52.86 52.51 3kr5 s ASN 538 Cb 0.21 -2.53 -0.09 0.00 0.41 0.00 0.00 41.25 39.26 3kr5 s ASN 538 CO 0.31 -2.27 1.08 -0.55 -1.51 0.00 0.00 177.10 174.16 3kr5 s SER 539 N 7.30 6.58 0.27 -1.22 0.15 -1.26 -4.83 113.70 120.69 3kr5 s SER 539 Ca 0.62 2.11 0.04 0.00 0.70 0.00 0.00 55.95 59.42 3kr5 s SER 539 Cb -0.12 -2.59 0.39 0.00 -1.71 0.00 0.00 66.02 61.99 3kr5 s SER 539 CO 0.20 -0.62 1.67 0.50 1.20 0.00 0.00 173.24 176.19 3kr5 h LYS 540 N 2.34 0.34 0.00 5.44 1.63 -1.96 -3.39 116.57 120.96 3kr5 h LYS 540 Ca -0.49 -0.16 -0.15 0.00 -0.85 0.00 0.00 60.65 59.00 3kr5 h LYS 540 Cb 1.22 -0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.83 3kr5 h LYS 540 CO 0.62 0.69 -1.57 0.66 -3.45 0.00 0.00 179.45 176.40 3kr5 n TYR 541 N -4.03 0.00 -2.60 1.91 4.01 -1.26 -5.04 117.16 110.15 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 0.49 -0.38 0.08 0.00 -0.31 0.00 0.00 39.34 39.22 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 3.78 0.29 -0.72 0.00 -1.26 -4.98 121.76 116.67 3kr5 s ALA 542 Ca -0.13 -1.56 0.03 0.00 0.00 0.00 0.00 51.96 50.29 3kr5 s ALA 542 Cb 0.04 -2.04 0.44 0.00 0.00 0.00 0.00 23.12 21.56 3kr5 s ALA 542 CO 0.22 -1.17 1.75 -0.44 0.00 0.00 0.00 175.76 176.12 3kr5 h ASP 543 N -0.29 0.49 -4.84 0.00 3.32 -1.47 -3.38 116.42 110.25 3kr5 h ASP 543 Ca -0.39 -0.15 -0.09 0.00 0.02 0.00 0.00 57.03 56.43 3kr5 h ASP 543 Cb 1.28 -0.13 -0.20 0.00 0.22 0.00 0.00 39.33 40.50 3kr5 h ASP 543 CO 0.45 0.70 -0.03 -0.51 -1.72 0.00 0.00 179.24 178.13 3kr5 s ILE 544 N -4.59 0.02 0.27 0.35 2.07 -0.56 -4.46 121.20 114.29 3kr5 s ILE 544 Ca -0.07 -0.19 -0.17 0.00 -1.41 0.00 0.00 60.65 58.81 3kr5 s ILE 544 Cb 0.14 -0.81 -0.09 0.00 0.13 0.00 0.00 42.46 41.83 3kr5 s ILE 544 CO 0.79 -0.10 0.72 0.20 -1.91 0.00 0.00 174.94 174.64 3kr5 s ASN 545 N -1.02 6.91 0.02 4.50 0.01 0.21 -0.79 114.94 124.78 3kr5 s ASN 545 Ca -0.10 1.34 -0.17 0.00 -0.71 0.00 0.00 52.86 53.21 3kr5 s ASN 545 Cb -0.03 -2.39 -0.27 0.00 0.41 0.00 0.00 41.25 38.97 3kr5 s ASN 545 CO 0.06 -0.08 1.08 -0.61 -1.51 0.00 0.00 177.10 176.04 3kr5 h GLN 546 N 2.86 0.52 -5.76 -0.60 4.15 -1.63 -3.46 115.11 111.18 3kr5 h GLN 546 Ca -0.48 -0.66 -0.50 0.00 0.77 0.00 0.00 58.65 57.78 3kr5 h GLN 546 Cb 1.18 0.21 -0.15 0.00 0.21 0.00 0.00 27.48 28.94 3kr5 h GLN 546 CO 0.65 1.27 -0.74 0.96 -1.93 0.00 0.00 178.83 179.04 3kr5 s ILE 547 N -2.99 1.94 0.61 2.39 -4.36 -1.26 -4.90 121.20 112.62 3kr5 s ILE 547 Ca -0.11 -2.24 -0.15 0.00 -0.26 0.00 0.00 60.65 57.88 3kr5 s ILE 547 Cb 0.04 -2.09 -0.03 0.00 1.25 0.00 0.00 42.46 41.63 3kr5 s ILE 547 CO 0.88 -0.52 1.07 -0.55 0.24 0.00 0.00 174.94 176.06 3kr5 s SER 548 N -3.31 5.64 -0.22 4.36 0.15 -1.26 -4.77 113.70 114.28 3kr5 s SER 548 Ca 0.24 1.85 -0.18 0.00 0.70 0.00 0.00 55.95 58.56 3kr5 s SER 548 Cb -0.02 -2.54 -0.18 0.00 -1.71 0.00 0.00 66.02 61.57 3kr5 s SER 548 CO 0.09 -1.27 0.09 -1.54 1.20 0.00 0.00 173.24 171.81 3kr5 n SER 549 N -2.14 1.91 -0.04 5.45 3.41 -1.26 -4.79 113.62 116.16 3kr5 n SER 549 Ca 0.09 0.37 -0.00 0.00 -0.26 0.00 0.00 58.87 59.07 3kr5 n SER 549 Cb 0.53 -0.91 -0.00 0.00 -0.26 0.00 0.00 64.21 63.56 3kr5 n SER 549 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3kr5 h SER 550 N -0.90 0.00 -2.37 4.04 4.64 -1.94 -3.47 113.55 113.55 3kr5 h SER 550 Ca -0.44 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.34 3kr5 h SER 550 Cb 1.45 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 63.55 3kr5 h SER 550 CO -0.24 0.42 1.24 -0.69 -0.87 0.00 0.00 176.83 176.70 3kr5 s VAL 551 N -1.49 3.12 -1.24 0.95 1.01 -1.26 -4.90 120.40 116.58 3kr5 s VAL 551 Ca -0.01 0.14 0.27 0.00 0.00 0.00 0.00 61.98 62.38 3kr5 s VAL 551 Cb 0.00 -3.10 0.21 0.00 0.00 0.00 0.00 36.38 33.50 3kr5 s VAL 551 CO 0.02 -0.02 1.69 0.29 0.00 0.00 0.00 175.10 177.07 3kr5 n LYS 552 N 7.64 0.26 -1.29 2.72 5.02 -1.26 -4.44 118.16 126.81 3kr5 n LYS 552 Ca 0.21 -0.11 -0.39 0.00 -2.02 0.00 0.00 58.31 56.00 3kr5 n LYS 552 Cb 0.42 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.90 3kr5 n LYS 552 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3kr5 n ALA 553 N -1.28 4.66 0.21 7.82 0.00 -1.26 -4.76 120.51 125.90 3kr5 n ALA 553 Ca 0.09 -3.32 0.08 0.00 0.00 0.00 0.00 53.44 50.29 3kr5 n ALA 553 Cb 0.32 -3.49 0.44 0.00 0.00 0.00 0.00 19.45 16.72 3kr5 n ALA 553 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3kr5 h SER 554 N 6.77 0.00 -0.06 0.00 4.64 -1.99 -0.64 113.55 122.27 3kr5 h SER 554 Ca 0.52 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.70 3kr5 h SER 554 Cb 0.55 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 3kr5 h SER 554 CO 1.85 0.28 -0.43 0.28 -0.87 0.00 0.00 176.83 177.93 3kr5 h SER 555 N 0.00 0.64 -0.08 4.97 0.02 -1.94 0.32 113.55 117.48 3kr5 h SER 555 Ca -0.00 -0.30 -0.13 0.00 -0.84 0.00 0.00 61.79 60.53 3kr5 h SER 555 Cb 0.76 -0.18 0.01 0.00 0.14 0.00 0.00 62.40 63.12 3kr5 h SER 555 CO 0.04 0.99 -0.44 0.40 -1.14 0.00 0.00 176.83 176.67 3kr5 h ILE 556 N 0.49 1.40 -0.55 3.27 2.04 -1.64 -2.45 117.51 120.06 3kr5 h ILE 556 Ca 0.04 -1.83 0.01 0.00 1.00 0.00 0.00 64.86 64.08 3kr5 h ILE 556 Cb 0.95 2.31 -0.03 0.00 -0.74 0.00 0.00 36.82 39.31 3kr5 h ILE 556 CO 0.09 0.54 0.36 0.58 0.00 0.00 0.00 178.15 179.71 3kr5 h VAL 557 N -0.02 1.14 -0.93 1.67 2.07 -1.08 0.72 116.25 119.80 3kr5 h VAL 557 Ca -0.03 -0.25 0.04 0.00 0.82 0.00 0.00 66.70 67.27 3kr5 h VAL 557 Cb 1.10 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 3kr5 h VAL 557 CO 0.09 0.14 0.61 0.00 0.02 0.00 0.00 177.57 178.43 3kr5 h ALA 558 N 1.20 1.41 -0.36 1.67 0.00 -0.40 -0.18 119.26 122.60 3kr5 h ALA 558 Ca 0.20 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 3kr5 h ALA 558 Cb -0.08 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 3kr5 h ALA 558 CO -0.05 0.49 -0.00 0.77 0.00 0.00 0.00 179.25 180.47 3kr5 h SER 559 N 1.17 0.62 -0.71 0.00 0.02 -0.86 -0.06 113.55 113.72 3kr5 h SER 559 Ca 0.37 -0.31 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 3kr5 h SER 559 Cb 0.03 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 62.37 3kr5 h SER 559 CO -0.12 0.78 0.41 -0.07 -1.14 0.00 0.00 176.83 176.69 3kr5 h LEU 560 N 0.44 0.89 -0.18 5.07 3.38 -0.22 0.13 115.31 124.82 3kr5 h LEU 560 Ca 0.10 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 3kr5 h LEU 560 Cb 0.46 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 3kr5 h LEU 560 CO 0.02 0.71 0.08 0.15 0.09 0.00 0.00 178.44 179.48 3kr5 h PHE 561 N 1.01 0.28 -0.64 1.13 3.04 -0.67 -3.06 116.94 118.03 3kr5 h PHE 561 Ca 0.26 -0.02 -0.07 0.00 3.98 0.00 0.00 57.97 62.12 3kr5 h PHE 561 Cb 0.01 -0.08 -0.03 0.00 2.56 0.00 0.00 35.95 38.41 3kr5 h PHE 561 CO 0.01 0.32 0.12 -0.07 -2.02 0.00 0.00 178.31 176.67 3kr5 h LEU 562 N 0.15 1.00 -1.92 0.59 3.38 0.08 -2.29 115.31 116.31 3kr5 h LEU 562 Ca 0.06 -0.25 0.21 0.00 0.09 0.00 0.00 57.88 57.99 3kr5 h LEU 562 Cb 0.16 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.61 3kr5 h LEU 562 CO -0.01 1.00 0.55 0.50 0.09 0.00 0.00 178.44 180.57 3kr5 h LYS 563 N 0.97 0.07 0.00 1.13 3.64 -0.69 0.35 116.57 122.04 3kr5 h LYS 563 Ca 0.20 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 3kr5 h LYS 563 Cb 0.41 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 3kr5 h LYS 563 CO 0.01 0.04 0.00 0.39 -2.27 0.00 0.00 179.45 177.62 3kr5 n GLU 564 N -4.34 0.06 -0.06 1.90 -0.58 -0.86 -2.35 120.64 114.40 3kr5 n GLU 564 Ca 0.16 0.28 0.03 0.00 -0.42 0.00 0.00 57.16 57.20 3kr5 n GLU 564 Cb 0.80 -1.50 0.06 0.00 -0.57 0.00 0.00 31.44 30.23 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 -1.41 0.17 -4.05 -0.32 3.01 0.12 -4.80 117.46 110.18 3kr5 n PHE 565 Ca 0.03 -0.35 -0.32 0.00 1.01 0.00 0.00 57.45 57.82 3kr5 n PHE 565 Cb 0.10 -0.03 -0.15 0.00 -0.01 0.00 0.00 39.48 39.39 3kr5 n PHE 565 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3kr5 s VAL 566 N -0.84 2.24 -0.05 -4.37 1.01 -0.99 -3.55 120.40 113.84 3kr5 s VAL 566 Ca 0.10 -1.68 -0.23 0.00 0.00 0.00 0.00 61.98 60.17 3kr5 s VAL 566 Cb 0.06 -2.35 -0.28 0.00 0.00 0.00 0.00 36.38 33.81 3kr5 s VAL 566 CO 0.08 -0.08 0.93 0.06 0.00 0.00 0.00 175.10 176.09 3kr5 h GLN 567 N 7.77 0.26 -0.07 2.72 -0.00 -1.87 -3.44 115.11 120.48 3kr5 h GLN 567 Ca -0.18 -0.38 -0.17 0.00 -0.00 0.00 0.00 58.65 57.92 3kr5 h GLN 567 Cb 1.04 0.13 -0.24 0.00 -0.00 0.00 0.00 27.48 28.41 3kr5 h GLN 567 CO 0.47 1.14 -0.60 -1.71 -0.00 0.00 0.00 178.83 178.13 3kr5 n ASN 568 N -4.27 -0.22 -4.06 0.06 5.15 -1.26 -5.10 115.26 105.56 3kr5 n ASN 568 Ca -0.12 -2.06 -0.19 0.00 -0.60 0.00 0.00 54.58 51.61 3kr5 n ASN 568 Cb 0.70 0.13 -0.14 0.00 -0.53 0.00 0.00 39.78 39.94 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 -0.62 0.82 0.09 -0.44 2.01 -1.26 -5.10 115.64 111.14 3kr5 s THR 569 Ca 0.15 -0.62 -0.33 0.00 0.31 0.00 0.00 61.69 61.20 3kr5 s THR 569 Cb 0.26 -0.72 -0.12 0.00 0.01 0.00 0.00 72.50 71.93 3kr5 s THR 569 CO -0.08 0.10 1.75 0.00 -0.69 0.00 0.00 174.62 175.71 3kr5 n ALA 570 N 2.48 1.62 -3.22 7.40 0.00 -1.25 -4.91 120.51 122.64 3kr5 n ALA 570 Ca -0.15 0.36 -0.13 0.00 0.00 0.00 0.00 53.44 53.51 3kr5 n ALA 570 Cb 0.56 -2.48 -0.14 0.00 0.00 0.00 0.00 19.45 17.39 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 2.36 -0.09 0.07 0.00 -0.00 -1.26 -1.38 118.94 118.63 3kr5 s TRP 571 Ca 0.83 0.27 0.04 0.00 -0.00 0.00 0.00 56.10 57.24 3kr5 s TRP 571 Cb -0.60 -0.02 -0.03 0.00 -0.00 0.00 0.00 33.47 32.82 3kr5 s TRP 571 CO 0.41 -0.07 -0.12 0.00 -0.00 0.00 0.00 176.95 177.16 3kr5 s ALA 572 N 0.40 1.04 -0.08 5.86 0.00 -0.16 -0.91 121.76 127.91 3kr5 s ALA 572 Ca -0.03 -0.98 0.00 0.00 0.00 0.00 0.00 51.96 50.95 3kr5 s ALA 572 Cb -0.04 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 23.05 3kr5 s ALA 572 CO -0.02 0.10 -0.06 -1.58 0.00 0.00 0.00 175.76 174.21 3kr5 s HIS 573 N -1.47 1.09 -0.34 0.00 5.04 0.31 -0.86 115.29 119.06 3kr5 s HIS 573 Ca -0.03 -0.43 -0.05 0.00 -1.54 0.00 0.00 55.06 53.01 3kr5 s HIS 573 Cb -0.09 -0.96 0.05 0.00 0.04 0.00 0.00 32.58 31.62 3kr5 s HIS 573 CO 0.02 -0.35 0.09 0.42 -2.34 0.00 0.00 174.74 172.58 3kr5 s ILE 574 N 1.42 3.63 -0.53 0.89 1.01 0.13 -0.41 121.20 127.35 3kr5 s ILE 574 Ca -0.02 -1.23 -0.22 0.00 0.00 0.00 0.00 60.65 59.19 3kr5 s ILE 574 Cb -0.13 -3.08 0.05 0.00 0.01 0.00 0.00 42.46 39.30 3kr5 s ILE 574 CO -0.04 -0.20 0.79 -0.62 0.00 0.00 0.00 174.94 174.88 3kr5 s ASP 575 N 1.43 6.28 -0.12 3.58 -1.08 0.23 -0.86 116.67 126.11 3kr5 s ASP 575 Ca -0.02 -0.65 0.17 0.00 -0.52 0.00 0.00 52.55 51.53 3kr5 s ASP 575 Cb -0.20 -2.37 0.64 0.00 -1.46 0.00 0.00 42.92 39.54 3kr5 s ASP 575 CO 0.02 -1.08 1.56 2.30 0.52 0.00 0.00 175.17 178.49 3kr5 n ILE 576 N 5.91 1.91 -0.32 4.11 -5.35 0.53 -2.45 119.36 123.70 3kr5 n ILE 576 Ca -0.02 -1.32 0.07 0.00 -0.27 0.00 0.00 62.75 61.21 3kr5 n ILE 576 Cb 0.46 0.07 0.27 0.00 -1.74 0.00 0.00 39.64 38.70 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 3.38 1.59 0.00 -1.28 0.00 -1.83 0.76 119.26 121.87 3kr5 h ALA 577 Ca 0.00 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3kr5 h ALA 577 Cb 1.41 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 3kr5 h ALA 577 CO 0.23 0.19 -0.27 0.78 0.00 0.00 0.00 179.25 180.18 3kr5 h GLY 578 N 0.93 0.00 0.00 0.00 0.00 -1.80 -3.39 103.07 98.82 3kr5 h GLY 578 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.79 3kr5 h GLY 578 CO -0.22 0.00 -1.11 1.55 0.00 0.00 0.00 176.54 176.76 3kr5 n VAL 579 N -3.19 0.00 -0.15 4.60 3.14 -0.74 -4.02 118.33 117.98 3kr5 n VAL 579 Ca 0.03 -0.20 -0.11 0.00 -2.96 0.00 0.00 64.34 61.10 3kr5 n VAL 579 Cb 0.61 0.48 0.02 0.00 -1.06 0.00 0.00 33.84 33.89 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 0.98 -3.35 6.55 0.87 -1.07 -3.42 113.55 114.11 3kr5 h SER 580 Ca 0.00 -0.37 -0.61 0.00 -1.23 0.00 0.00 61.79 59.58 3kr5 h SER 580 Cb 0.29 -0.27 -0.15 0.00 -0.44 0.00 0.00 62.40 61.83 3kr5 h SER 580 CO 0.00 1.15 -0.53 0.86 -0.53 0.00 0.00 176.83 177.78 3kr5 s TRP 581 N -4.66 3.31 -0.87 2.24 -0.11 -1.26 -0.93 118.94 116.65 3kr5 s TRP 581 Ca -0.11 0.17 -0.23 0.00 1.22 0.00 0.00 56.10 57.15 3kr5 s TRP 581 Cb 0.12 -2.15 0.07 0.00 -1.50 0.00 0.00 33.47 30.01 3kr5 s TRP 581 CO 0.86 0.16 1.25 1.21 -4.62 0.00 0.00 176.95 175.82 3kr5 s ASN 582 N 0.54 6.39 0.19 5.86 3.84 0.69 -4.89 114.94 127.55 3kr5 s ASN 582 Ca 0.06 -1.27 -0.12 0.00 0.21 0.00 0.00 52.86 51.73 3kr5 s ASN 582 Cb -0.12 -2.50 0.10 0.00 -0.55 0.00 0.00 41.25 38.18 3kr5 s ASN 582 CO 0.00 -1.47 1.83 -0.26 -2.79 0.00 0.00 177.10 174.41 3kr5 h PHE 583 N 9.59 0.83 -0.18 0.43 -1.00 -1.96 0.14 116.94 124.80 3kr5 h PHE 583 Ca -0.01 -0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.76 3kr5 h PHE 583 Cb 1.03 -0.27 -0.01 0.00 3.61 0.00 0.00 35.95 40.31 3kr5 h PHE 583 CO 1.16 0.56 0.08 0.87 -1.61 0.00 0.00 178.31 179.38 3kr5 h LYS 584 N 0.86 0.26 -0.00 1.51 1.57 -1.94 -2.67 116.57 116.15 3kr5 h LYS 584 Ca 0.23 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3kr5 h LYS 584 Cb -0.03 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3kr5 h LYS 584 CO -0.04 0.29 -0.07 0.00 -0.57 0.00 0.00 179.45 179.06 3kr5 n ALA 585 N -2.21 2.70 -3.65 3.86 0.00 -1.13 -4.94 120.51 115.14 3kr5 n ALA 585 Ca -0.04 -0.26 -0.23 0.00 0.00 0.00 0.00 53.44 52.91 3kr5 n ALA 585 Cb 0.10 -1.37 0.06 0.00 0.00 0.00 0.00 19.45 18.24 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 -0.90 -6.33 -3.54 0.00 1.74 0.45 -4.98 116.66 103.10 3kr5 n ARG 586 Ca 0.16 0.73 -0.11 0.00 -0.77 0.00 0.00 57.85 57.86 3kr5 n ARG 586 Cb 0.25 -5.62 -0.03 0.00 -1.02 0.00 0.00 32.46 26.05 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 -6.06 1.25 0.80 5.56 -2.85 -0.90 -5.03 119.74 112.51 3kr5 s LYS 587 Ca 0.31 -0.61 -0.11 0.00 -1.00 0.00 0.00 55.97 54.55 3kr5 s LYS 587 Cb -0.15 0.55 0.07 0.00 -2.06 0.00 0.00 37.83 36.24 3kr5 s LYS 587 CO 0.77 -0.53 1.09 -2.14 0.10 0.00 0.00 175.35 174.64 3kr5 s PRO 588 N -3.79 2.05 0.00 1.78 0.02 -1.26 -0.23 135.00 133.57 3kr5 s PRO 588 Ca 0.03 0.78 0.22 0.00 0.02 0.00 0.00 61.00 62.05 3kr5 s PRO 588 Cb -0.00 -1.90 -0.24 0.00 0.02 0.00 0.00 34.50 32.38 3kr5 s PRO 588 CO -0.11 -1.68 0.70 1.63 -0.33 0.00 0.00 177.00 177.21 3kr5 n LYS 589 N -3.49 0.43 -2.47 5.54 5.02 -0.11 -4.64 118.16 118.44 3kr5 n LYS 589 Ca 0.07 -0.10 -0.17 0.00 -2.02 0.00 0.00 58.31 56.09 3kr5 n LYS 589 Cb 0.55 -1.54 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 3kr5 n LYS 589 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3kr5 n GLY 590 N 1.33 -0.29 3.73 0.72 0.00 -1.26 -4.91 105.19 104.52 3kr5 n GLY 590 Ca -0.01 -0.16 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 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 -2.88 3.00 0.00 1.61 5.36 -1.26 -3.18 117.98 120.63 3kr5 s PHE 591 Ca 0.07 0.71 0.00 0.00 -0.96 0.00 0.00 56.93 56.75 3kr5 s PHE 591 Cb -0.03 -3.94 0.00 0.00 -0.34 0.00 0.00 43.02 38.71 3kr5 s PHE 591 CO 0.09 -3.35 0.00 0.41 -1.46 0.00 0.00 175.22 170.91 3kr5 n GLY 592 N 3.21 2.23 0.32 13.12 0.00 -1.26 -4.67 105.19 118.14 3kr5 n GLY 592 Ca 0.12 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.97 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 0.43 -0.43 1.61 2.07 -1.74 0.11 116.25 118.30 3kr5 h VAL 593 Ca 0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 3kr5 h VAL 593 Cb 0.00 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 3kr5 h VAL 593 CO 0.00 0.00 0.07 0.03 0.02 0.00 0.00 177.57 177.69 3kr5 h ARG 594 N -0.72 0.72 -0.26 1.57 3.08 -1.89 -1.02 114.38 115.86 3kr5 h ARG 594 Ca -0.06 -0.20 0.06 0.00 0.07 0.00 0.00 59.98 59.86 3kr5 h ARG 594 Cb 0.58 -0.08 -0.06 0.00 0.08 0.00 0.00 29.97 30.48 3kr5 h ARG 594 CO 0.07 0.75 -0.15 1.25 -1.07 0.00 0.00 179.97 180.83 3kr5 h LEU 595 N 0.58 -0.50 -0.93 3.04 5.85 -1.80 0.30 115.31 121.85 3kr5 h LEU 595 Ca 0.13 0.11 -0.09 0.00 0.84 0.00 0.00 57.88 58.87 3kr5 h LEU 595 Cb 0.39 0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.66 3kr5 h LEU 595 CO 0.01 -0.19 -0.23 -0.07 -0.34 0.00 0.00 178.44 177.62 3kr5 h LEU 596 N -0.13 0.52 -0.15 2.25 3.38 -0.56 -0.73 115.31 119.89 3kr5 h LEU 596 Ca 0.14 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 3kr5 h LEU 596 Cb 0.34 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 3kr5 h LEU 596 CO -0.34 0.75 -0.24 0.74 0.09 0.00 0.00 178.44 179.44 3kr5 h THR 597 N 0.46 1.36 -0.42 0.22 2.02 -0.63 -0.39 112.91 115.52 3kr5 h THR 597 Ca 0.07 -1.47 0.06 0.00 0.77 0.00 0.00 66.41 65.84 3kr5 h THR 597 Cb 0.65 1.95 -0.05 0.00 -1.74 0.00 0.00 68.15 68.96 3kr5 h THR 597 CO 0.05 0.44 0.12 -0.33 0.37 0.00 0.00 175.52 176.16 3kr5 h GLU 598 N 0.04 0.25 -0.28 6.66 4.39 -0.28 0.27 114.58 125.63 3kr5 h GLU 598 Ca 0.01 -0.02 0.06 0.00 0.34 0.00 0.00 59.36 59.76 3kr5 h GLU 598 Cb 0.81 -0.06 -0.07 0.00 -0.10 0.00 0.00 28.75 29.34 3kr5 h GLU 598 CO 0.05 0.17 -0.15 0.35 -1.16 0.00 0.00 179.01 178.27 3kr5 h PHE 599 N 0.26 -0.37 -0.07 4.33 3.57 -0.83 0.25 116.94 124.07 3kr5 h PHE 599 Ca 0.20 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.73 3kr5 h PHE 599 Cb 0.22 0.21 -0.00 0.00 2.79 0.00 0.00 35.95 39.17 3kr5 h PHE 599 CO -0.18 -0.22 0.04 0.28 -2.23 0.00 0.00 178.31 176.00 3kr5 h VAL 600 N -0.11 1.06 -0.33 1.41 2.07 -0.50 -3.20 116.25 116.65 3kr5 h VAL 600 Ca 0.15 -0.17 -0.09 0.00 0.82 0.00 0.00 66.70 67.41 3kr5 h VAL 600 Cb 0.34 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.14 3kr5 h VAL 600 CO -0.36 0.05 -0.16 -0.07 0.02 0.00 0.00 177.57 177.06 3kr5 h LEU 601 N 0.05 0.58 -1.00 2.57 4.07 0.14 -3.19 115.31 118.53 3kr5 h LEU 601 Ca 0.03 -0.17 0.00 0.00 0.08 0.00 0.00 57.88 57.81 3kr5 h LEU 601 Cb 0.05 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 41.63 3kr5 h LEU 601 CO -0.00 0.76 0.00 0.59 -1.08 0.00 0.00 178.44 178.71 3kr5 n ASN 602 N -4.16 1.48 0.00 -0.43 3.02 0.81 -5.04 115.26 110.94 3kr5 n ASN 602 Ca 0.01 -1.83 0.00 0.00 -0.03 0.00 0.00 54.58 52.73 3kr5 n ASN 602 Cb 0.36 -0.14 0.00 0.00 -0.61 0.00 0.00 39.78 39.39 3kr5 n ASN 602 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74