#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kz4 n LYS 101 N 0.00 0.00 0.00 -0.52 5.02 -1.26 -2.50 118.16 118.90 3kz4 n LYS 101 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3kz4 n LYS 101 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3kz4 n LYS 101 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3kz4 n GLU 102 N 0.00 0.89 -0.00 1.97 1.02 -1.26 -3.12 120.64 120.14 3kz4 n GLU 102 Ca 0.00 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.24 3kz4 n GLU 102 Cb 0.00 -1.38 -0.13 0.00 -0.02 0.00 0.00 31.44 29.91 3kz4 n GLU 102 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3kz4 n SER 103 N 0.14 0.74 -0.00 1.62 2.88 -1.04 -3.77 113.62 114.19 3kz4 n SER 103 Ca 0.00 -0.71 0.04 0.00 -1.33 0.00 0.00 58.87 56.87 3kz4 n SER 103 Cb 0.26 1.27 -0.05 0.00 -0.75 0.00 0.00 64.21 64.94 3kz4 n SER 103 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 3kz4 n ILE 104 N -1.70 0.00 0.02 2.46 5.41 -1.18 -4.34 119.36 120.03 3kz4 n ILE 104 Ca 0.02 -0.28 -0.21 0.00 1.00 0.00 0.00 62.75 63.28 3kz4 n ILE 104 Cb 0.38 0.82 -0.14 0.00 -0.71 0.00 0.00 39.64 39.99 3kz4 n ILE 104 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 176.55 176.80 3kz4 h LEU 105 N 0.00 0.41 -1.41 1.39 5.85 -1.74 -2.78 115.31 117.03 3kz4 h LEU 105 Ca 0.00 -0.87 -0.04 0.00 0.84 0.00 0.00 57.88 57.81 3kz4 h LEU 105 Cb 0.25 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 3kz4 h LEU 105 CO 0.00 1.59 -0.20 0.50 -0.34 0.00 0.00 178.44 179.99 3kz4 h LYS 106 N -0.30 0.00 0.00 1.25 1.63 -1.81 0.62 116.57 117.96 3kz4 h LYS 106 Ca -0.28 0.00 -0.08 0.00 -0.85 0.00 0.00 60.65 59.43 3kz4 h LYS 106 Cb 1.76 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.38 3kz4 h LYS 106 CO 0.08 0.20 -0.43 0.87 -3.45 0.00 0.00 179.45 176.72 3kz4 h LYS 107 N 0.00 0.00 0.00 1.90 1.57 -1.76 -2.95 116.57 115.34 3kz4 h LYS 107 Ca -0.00 0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.58 3kz4 h LYS 107 Cb 0.60 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.88 3kz4 h LYS 107 CO 0.03 0.38 -1.10 1.25 -0.57 0.00 0.00 179.45 179.44 3kz4 h LEU 108 N 0.00 0.00 -1.54 2.94 5.85 -0.83 -3.37 115.31 118.35 3kz4 h LEU 108 Ca -0.01 -0.55 -0.01 0.00 0.84 0.00 0.00 57.88 58.15 3kz4 h LEU 108 Cb 1.31 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.32 3kz4 h LEU 108 CO 0.05 1.42 0.13 -0.33 -0.34 0.00 0.00 178.44 179.37 3kz4 h GLU 109 N -1.00 0.43 -1.91 1.25 5.08 0.02 -3.06 114.58 115.40 3kz4 h GLU 109 Ca -0.30 -0.05 -0.21 0.00 -1.00 0.00 0.00 59.36 57.80 3kz4 h GLU 109 Cb 1.25 -0.09 -0.08 0.00 0.50 0.00 0.00 28.75 30.33 3kz4 h GLU 109 CO -0.18 0.36 0.02 -3.47 -1.00 0.00 0.00 179.01 174.73 3kz4 n ASP 110 N -4.42 5.72 -4.04 1.42 2.03 -1.11 -4.80 116.55 111.35 3kz4 n ASP 110 Ca 0.02 -2.70 -0.32 0.00 0.52 0.00 0.00 54.79 52.31 3kz4 n ASP 110 Cb 0.13 -1.23 -0.15 0.00 -0.72 0.00 0.00 41.12 39.15 3kz4 n ASP 110 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 3kz4 s ILE 111 N -0.49 2.01 -0.62 5.18 2.07 -1.16 -4.94 121.20 123.24 3kz4 s ILE 111 Ca 0.38 -1.51 0.05 0.00 -1.41 0.00 0.00 60.65 58.16 3kz4 s ILE 111 Cb 0.22 -2.15 0.19 0.00 0.13 0.00 0.00 42.46 40.85 3kz4 s ILE 111 CO -0.04 -0.03 0.51 0.29 -1.91 0.00 0.00 174.94 173.76 3kz4 n LYS 112 N 4.50 1.56 0.02 3.50 5.02 -1.26 -4.88 118.16 126.61 3kz4 n LYS 112 Ca -0.14 -4.19 0.11 0.00 -2.02 0.00 0.00 58.31 52.07 3kz4 n LYS 112 Cb 0.43 -2.10 0.49 0.00 -0.02 0.00 0.00 35.03 33.82 3kz4 n LYS 112 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 3kz4 n PRO 113 N 1.92 0.03 -1.54 1.97 -0.02 -1.26 -4.43 135.00 131.67 3kz4 n PRO 113 Ca 0.24 0.13 -0.41 0.00 -2.02 0.00 0.00 63.50 61.43 3kz4 n PRO 113 Cb 0.40 -1.55 -0.03 0.00 -0.02 0.00 0.00 33.50 32.29 3kz4 n PRO 113 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3kz4 n GLU 114 N -1.61 2.07 -3.66 -0.52 1.02 -1.26 -4.89 120.64 111.79 3kz4 n GLU 114 Ca 0.05 -2.26 -0.34 0.00 -0.02 0.00 0.00 57.16 54.59 3kz4 n GLU 114 Cb 0.28 -3.17 -0.05 0.00 -0.02 0.00 0.00 31.44 28.48 3kz4 n GLU 114 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 3kz4 s GLN 115 N 4.52 3.67 -0.89 3.49 -2.07 -1.26 -5.04 119.66 122.09 3kz4 s GLN 115 Ca 0.55 0.04 -0.05 0.00 -1.82 0.00 0.00 55.36 54.08 3kz4 s GLN 115 Cb 0.12 -3.02 0.22 0.00 -1.09 0.00 0.00 33.01 29.24 3kz4 s GLN 115 CO 0.05 0.59 0.79 0.00 -1.32 0.00 0.00 175.29 175.40 3kz4 s ALA 116 N -1.38 4.22 0.29 2.60 0.00 -1.26 -5.06 121.76 121.17 3kz4 s ALA 116 Ca 0.32 -3.68 -0.30 0.00 0.00 0.00 0.00 51.96 48.29 3kz4 s ALA 116 Cb -0.13 -3.04 -0.12 0.00 0.00 0.00 0.00 23.12 19.83 3kz4 s ALA 116 CO 0.18 -2.17 1.53 1.63 0.00 0.00 0.00 175.76 176.93 3kz4 n LYS 117 N 2.80 2.54 -3.93 0.00 5.02 -1.26 -4.98 118.16 118.35 3kz4 n LYS 117 Ca 0.19 0.90 -0.09 0.00 -2.02 0.00 0.00 58.31 57.29 3kz4 n LYS 117 Cb 0.39 -2.64 -0.03 0.00 -0.02 0.00 0.00 35.03 32.73 3kz4 n LYS 117 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3kz4 s LYS 118 N -0.73 1.77 0.18 1.97 2.20 -1.26 -2.61 119.74 121.26 3kz4 s LYS 118 Ca 0.63 -1.23 -0.01 0.00 -0.36 0.00 0.00 55.97 55.01 3kz4 s LYS 118 Cb -0.53 0.54 -0.04 0.00 -1.51 0.00 0.00 37.83 36.30 3kz4 s LYS 118 CO 0.51 -0.78 0.10 1.14 -0.36 0.00 0.00 175.35 175.96 3kz4 s GLN 119 N -3.64 1.11 0.00 4.03 -2.07 -1.26 -4.84 119.66 112.98 3kz4 s GLN 119 Ca 0.18 -1.56 0.00 0.00 -1.82 0.00 0.00 55.36 52.15 3kz4 s GLN 119 Cb -0.03 0.24 0.00 0.00 -1.09 0.00 0.00 33.01 32.13 3kz4 s GLN 119 CO 0.10 -0.34 0.00 2.41 -1.32 0.00 0.00 175.29 176.14 3kz4 n THR 120 N -0.21 0.00 -1.51 3.63 -1.04 -1.26 -4.88 114.28 109.00 3kz4 n THR 120 Ca -0.01 0.00 -0.51 0.00 -2.04 0.00 0.00 64.05 61.49 3kz4 n THR 120 Cb 0.65 -0.01 -0.05 0.00 -1.82 0.00 0.00 70.33 69.10 3kz4 n THR 120 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 3kz4 n LYS 121 N 0.00 0.56 -2.42 -2.82 2.85 -1.26 -4.88 118.16 110.19 3kz4 n LYS 121 Ca 0.00 0.20 -0.42 0.00 -1.05 0.00 0.00 58.31 57.04 3kz4 n LYS 121 Cb 0.00 -1.58 -0.03 0.00 -0.65 0.00 0.00 35.03 32.77 3kz4 n LYS 121 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3kz4 s LEU 122 N 1.03 4.29 -0.54 -5.58 1.43 -1.26 -4.92 118.68 113.12 3kz4 s LEU 122 Ca 0.76 1.86 -0.28 0.00 -1.03 0.00 0.00 54.13 55.45 3kz4 s LEU 122 Cb -0.99 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 41.68 3kz4 s LEU 122 CO 0.55 -0.60 1.56 0.12 0.23 0.00 0.00 176.35 178.20 3kz4 s PHE 123 N 2.21 2.10 0.48 0.29 5.36 -1.26 -4.97 117.98 122.19 3kz4 s PHE 123 Ca 0.57 0.55 0.03 0.00 -0.96 0.00 0.00 56.93 57.12 3kz4 s PHE 123 Cb -0.26 -4.30 -0.03 0.00 -0.34 0.00 0.00 43.02 38.10 3kz4 s PHE 123 CO 0.23 -2.18 0.01 -0.98 -1.46 0.00 0.00 175.22 170.83 3kz4 s ARG 124 N 5.82 2.13 0.00 10.12 1.70 -1.26 -4.78 118.95 132.68 3kz4 s ARG 124 Ca 0.59 -2.32 0.00 0.00 -0.47 0.00 0.00 55.73 53.54 3kz4 s ARG 124 Cb -0.13 -1.57 0.00 0.00 -0.57 0.00 0.00 34.95 32.68 3kz4 s ARG 124 CO 0.25 -0.28 0.00 -0.89 -1.08 0.00 0.00 175.30 173.31 3kz4 n ILE 125 N -1.19 0.00 -4.79 4.99 -0.00 -1.26 -5.05 119.36 112.07 3kz4 n ILE 125 Ca -0.15 0.00 -0.30 0.00 -0.00 0.00 0.00 62.75 62.30 3kz4 n ILE 125 Cb 0.67 -0.30 -0.17 0.00 -0.00 0.00 0.00 39.64 39.84 3kz4 n ILE 125 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.55 177.27 3kz4 s PHE 126 N -1.29 2.22 -0.12 1.39 -0.00 -1.26 -0.84 117.98 118.08 3kz4 s PHE 126 Ca 0.00 -0.98 -0.06 0.00 -0.00 0.00 0.00 56.93 55.89 3kz4 s PHE 126 Cb 0.00 -1.54 -0.04 0.00 -0.00 0.00 0.00 43.02 41.44 3kz4 s PHE 126 CO 0.00 -0.45 0.10 -1.83 -0.00 0.00 0.00 175.22 173.04 3kz4 s GLU 127 N 0.67 3.37 0.76 1.99 -1.05 -1.17 -4.94 118.70 118.32 3kz4 s GLU 127 Ca -0.12 -0.22 -0.11 0.00 -0.15 0.00 0.00 54.97 54.37 3kz4 s GLU 127 Cb -0.16 -3.09 0.05 0.00 -0.44 0.00 0.00 34.13 30.49 3kz4 s GLU 127 CO 0.03 0.72 1.08 -2.14 0.95 0.00 0.00 175.26 175.90 3kz4 s PRO 128 N -0.88 2.37 0.29 -4.83 0.02 -1.26 -3.59 135.00 127.12 3kz4 s PRO 128 Ca 0.14 0.99 0.01 0.00 0.02 0.00 0.00 61.00 62.15 3kz4 s PRO 128 Cb -0.12 -1.92 -0.02 0.00 0.02 0.00 0.00 34.50 32.46 3kz4 s PRO 128 CO 0.03 -1.51 0.31 0.50 -0.33 0.00 0.00 177.00 176.00 3kz4 s ARG 129 N -4.99 1.64 0.00 5.54 3.52 -0.40 -4.93 118.95 119.33 3kz4 s ARG 129 Ca 0.60 -1.79 0.00 0.00 -0.13 0.00 0.00 55.73 54.41 3kz4 s ARG 129 Cb -0.16 0.35 0.00 0.00 -1.56 0.00 0.00 34.95 33.59 3kz4 s ARG 129 CO 0.56 -0.62 0.00 1.04 -0.81 0.00 0.00 175.30 175.46 3kz4 n GLN 130 N -0.50 0.00 0.00 5.12 1.13 -1.26 -2.57 117.38 119.30 3kz4 n GLN 130 Ca 0.04 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.10 3kz4 n GLN 130 Cb 0.63 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.98 3kz4 n GLN 130 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 3kz4 n LEU 131 N 0.00 -0.98 -4.77 1.08 7.94 -1.26 -4.20 117.00 114.81 3kz4 n LEU 131 Ca 0.00 0.00 -0.33 0.00 -1.11 0.00 0.00 56.01 54.57 3kz4 n LEU 131 Cb 0.00 0.53 0.05 0.00 0.53 0.00 0.00 43.42 44.53 3kz4 n LEU 131 CO 0.00 0.00 0.73 -2.84 -1.11 0.00 0.00 177.39 174.17 3kz4 s PRO 132 N -4.64 2.73 -0.06 1.96 0.02 -1.26 -3.52 135.00 130.23 3kz4 s PRO 132 Ca 0.00 1.35 -0.13 0.00 0.02 0.00 0.00 61.00 62.25 3kz4 s PRO 132 Cb 0.00 -1.94 -0.05 0.00 0.02 0.00 0.00 34.50 32.53 3kz4 s PRO 132 CO 0.00 -1.30 0.32 0.96 -0.33 0.00 0.00 177.00 176.65 3kz4 s ILE 133 N -2.43 5.20 -0.47 2.83 -4.36 -1.26 -4.81 121.20 115.91 3kz4 s ILE 133 Ca 0.66 0.63 0.04 0.00 -0.26 0.00 0.00 60.65 61.72 3kz4 s ILE 133 Cb -0.20 -3.62 0.12 0.00 1.25 0.00 0.00 42.46 40.02 3kz4 s ILE 133 CO 0.44 0.56 0.21 -0.31 0.24 0.00 0.00 174.94 176.07 3kz4 s TYR 134 N -0.83 3.14 0.34 1.37 4.12 -0.46 -3.44 117.35 121.58 3kz4 s TYR 134 Ca 0.20 -3.02 -0.29 0.00 0.02 0.00 0.00 57.07 53.99 3kz4 s TYR 134 Cb -0.15 -2.71 -0.11 0.00 -1.52 0.00 0.00 41.96 37.47 3kz4 s TYR 134 CO 0.10 -0.79 1.37 -0.98 0.02 0.00 0.00 175.55 175.26 3kz4 s ARG 135 N 0.09 4.27 0.19 -0.62 1.70 -1.12 -4.37 118.95 119.08 3kz4 s ARG 135 Ca 0.16 2.34 -0.25 0.00 -0.47 0.00 0.00 55.73 57.51 3kz4 s ARG 135 Cb -0.24 -3.04 -0.15 0.00 -0.57 0.00 0.00 34.95 30.95 3kz4 s ARG 135 CO -0.02 -0.32 0.44 0.00 -1.08 0.00 0.00 175.30 174.32 3kz4 n ALA 136 N 0.74 -2.68 0.00 7.88 0.00 -1.26 -0.61 120.51 124.57 3kz4 n ALA 136 Ca 0.01 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.82 3kz4 n ALA 136 Cb 0.41 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.43 3kz4 n ALA 136 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3kz4 n ASN 137 N 1.80 0.00 -1.43 0.00 5.15 -1.26 -4.70 115.26 114.82 3kz4 n ASN 137 Ca 0.16 0.00 -0.07 0.00 -0.60 0.00 0.00 54.58 54.06 3kz4 n ASN 137 Cb 0.23 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.50 3kz4 n ASN 137 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3kz4 n GLY 138 N -1.58 0.47 3.48 8.20 0.00 0.22 -4.87 105.19 111.11 3kz4 n GLY 138 Ca 0.00 -0.40 -0.28 0.00 0.00 0.00 0.00 46.02 45.34 3kz4 n GLY 138 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kz4 s GLU 139 N -5.36 1.73 -0.21 1.61 2.02 -1.23 -3.48 118.70 113.78 3kz4 s GLU 139 Ca 0.18 -1.31 -0.21 0.00 0.02 0.00 0.00 54.97 53.64 3kz4 s GLU 139 Cb -0.08 -2.03 -0.02 0.00 0.10 0.00 0.00 34.13 32.10 3kz4 s GLU 139 CO 0.22 0.44 0.67 0.21 0.02 0.00 0.00 175.26 176.82 3kz4 s LYS 140 N -2.44 4.20 0.00 1.61 2.20 -1.26 -2.80 119.74 121.25 3kz4 s LYS 140 Ca 0.20 0.67 0.18 0.00 -0.36 0.00 0.00 55.97 56.66 3kz4 s LYS 140 Cb -0.09 -3.59 0.52 0.00 -1.51 0.00 0.00 37.83 33.15 3kz4 s LYS 140 CO 0.11 -0.30 1.43 -1.91 -0.36 0.00 0.00 175.35 174.32 3kz4 n GLU 141 N 5.25 2.31 0.00 4.03 2.13 -1.22 -5.03 120.64 128.11 3kz4 n GLU 141 Ca -0.00 -2.03 0.00 0.00 0.66 0.00 0.00 57.16 55.79 3kz4 n GLU 141 Cb 0.49 -1.45 0.00 0.00 0.27 0.00 0.00 31.44 30.75 3kz4 n GLU 141 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3kz4 n LEU 142 N 1.16 0.00 0.00 4.31 4.77 -1.26 -4.86 117.00 121.12 3kz4 n LEU 142 Ca 0.19 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 3kz4 n LEU 142 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3kz4 n LEU 142 CO 0.13 0.00 0.00 -2.11 -1.33 0.00 0.00 177.39 174.08 3kz4 n ARG 143 N 0.00 0.00 -1.06 3.23 1.85 -1.26 -4.62 116.66 114.80 3kz4 n ARG 143 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3kz4 n ARG 143 Cb 0.00 -0.01 0.00 0.00 -1.05 0.00 0.00 32.46 31.40 3kz4 n ARG 143 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3kz4 n ASN 144 N 0.00 -6.14 -4.92 2.89 3.02 -1.26 -4.91 115.26 103.94 3kz4 n ASN 144 Ca 0.00 0.80 -0.20 0.00 -0.03 0.00 0.00 54.58 55.15 3kz4 n ASN 144 Cb 0.00 -2.66 -0.02 0.00 -0.61 0.00 0.00 39.78 36.49 3kz4 n ASN 144 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 3kz4 s ARG 145 N -3.77 2.82 -0.21 3.52 3.52 -1.23 -4.98 118.95 118.62 3kz4 s ARG 145 Ca 0.00 -1.25 -0.04 0.00 -0.13 0.00 0.00 55.73 54.32 3kz4 s ARG 145 Cb 0.00 -2.60 -0.01 0.00 -1.56 0.00 0.00 34.95 30.78 3kz4 s ARG 145 CO 0.00 -0.01 -0.04 -1.58 -0.81 0.00 0.00 175.30 172.86 3kz4 s TRP 146 N -2.30 2.96 0.30 5.12 0.52 -1.26 -4.26 118.94 120.02 3kz4 s TRP 146 Ca 0.45 -0.80 0.00 0.00 0.02 0.00 0.00 56.10 55.77 3kz4 s TRP 146 Cb -0.07 -2.08 0.00 0.00 -1.15 0.00 0.00 33.47 30.17 3kz4 s TRP 146 CO 0.29 -0.45 0.02 0.66 0.02 0.00 0.00 176.95 177.48 3kz4 n TYR 147 N 4.58 0.60 -4.18 -1.98 4.02 -1.06 -1.42 117.16 117.71 3kz4 n TYR 147 Ca -0.18 -1.49 -0.34 0.00 -0.01 0.00 0.00 57.90 55.89 3kz4 n TYR 147 Cb 0.51 -0.20 -0.15 0.00 -0.02 0.00 0.00 39.34 39.48 3kz4 n TYR 147 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 176.86 174.27 3kz4 s TRP 148 N -2.06 2.86 0.18 -0.72 0.52 -1.21 -1.27 118.94 117.23 3kz4 s TRP 148 Ca 0.01 -1.12 0.04 0.00 0.02 0.00 0.00 56.10 55.05 3kz4 s TRP 148 Cb -0.00 -1.98 -0.05 0.00 -1.15 0.00 0.00 33.47 30.29 3kz4 s TRP 148 CO 0.01 -0.57 -0.07 0.15 0.02 0.00 0.00 176.95 176.49 3kz4 s LYS 149 N 1.17 1.18 0.18 4.98 -0.14 -1.24 -4.71 119.74 121.17 3kz4 s LYS 149 Ca 0.02 -1.54 -0.12 0.00 -1.36 0.00 0.00 55.97 52.96 3kz4 s LYS 149 Cb -0.14 -0.66 -0.07 0.00 -1.68 0.00 0.00 37.83 35.27 3kz4 s LYS 149 CO -0.04 0.02 0.54 -0.51 -0.76 0.00 0.00 175.35 174.60 3kz4 s LEU 150 N -3.23 4.26 -0.36 3.17 1.43 -1.26 -3.06 118.68 119.63 3kz4 s LEU 150 Ca 0.21 0.99 -0.28 0.00 -1.03 0.00 0.00 54.13 54.03 3kz4 s LEU 150 Cb 0.03 -3.43 0.02 0.00 0.03 0.00 0.00 46.19 42.84 3kz4 s LEU 150 CO 0.04 0.03 1.02 -0.54 0.23 0.00 0.00 176.35 177.13 3kz4 s LYS 151 N -2.33 3.92 0.00 1.70 1.02 -0.02 -4.42 119.74 119.61 3kz4 s LYS 151 Ca 0.42 0.79 0.00 0.00 0.02 0.00 0.00 55.97 57.20 3kz4 s LYS 151 Cb -0.13 -3.79 0.00 0.00 -0.52 0.00 0.00 37.83 33.39 3kz4 s LYS 151 CO 0.20 -0.99 0.00 1.63 -0.92 0.00 0.00 175.35 175.27 3kz4 n LYS 152 N 6.97 0.00 -0.45 1.68 5.02 -1.26 -4.93 118.16 125.19 3kz4 n LYS 152 Ca 0.10 0.41 -0.06 0.00 -2.02 0.00 0.00 58.31 56.75 3kz4 n LYS 152 Cb 0.48 -0.83 0.10 0.00 -0.02 0.00 0.00 35.03 34.76 3kz4 n LYS 152 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 3kz4 n ASP 153 N 0.00 3.17 -0.19 4.39 8.00 -1.26 -4.73 116.55 125.93 3kz4 n ASP 153 Ca 0.00 -2.55 0.16 0.00 0.71 0.00 0.00 54.79 53.10 3kz4 n ASP 153 Cb 0.00 -0.62 0.29 0.00 -0.02 0.00 0.00 41.12 40.78 3kz4 n ASP 153 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3kz4 n THR 154 N -0.03 -0.25 0.00 -3.53 -1.04 -1.26 -4.80 114.28 103.37 3kz4 n THR 154 Ca 0.20 1.23 0.00 0.00 -2.04 0.00 0.00 64.05 63.43 3kz4 n THR 154 Cb 0.86 -1.93 0.00 0.00 -1.82 0.00 0.00 70.33 67.45 3kz4 n THR 154 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3kz4 n LEU 155 N -4.46 0.00 0.00 -4.42 4.77 -1.26 -4.95 117.00 106.68 3kz4 n LEU 155 Ca 0.20 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 56.02 3kz4 n LEU 155 Cb 0.67 0.00 0.13 0.00 -2.33 0.00 0.00 43.42 41.89 3kz4 n LEU 155 CO -0.01 0.00 0.30 -2.65 -1.33 0.00 0.00 177.39 173.70 3kz4 n PRO 156 N 0.00 -2.31 -3.88 3.23 -0.02 -1.26 -4.94 135.00 125.82 3kz4 n PRO 156 Ca 0.00 -0.89 -0.30 0.00 -2.02 0.00 0.00 63.50 60.29 3kz4 n PRO 156 Cb 0.00 -0.87 -0.14 0.00 -0.02 0.00 0.00 33.50 32.47 3kz4 n PRO 156 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3kz4 s ASP 157 N -2.99 4.19 0.00 2.55 -1.08 -1.26 -4.62 116.67 113.47 3kz4 s ASP 157 Ca 0.37 -2.62 0.00 0.00 -0.52 0.00 0.00 52.55 49.78 3kz4 s ASP 157 Cb -0.04 -1.40 0.00 0.00 -1.46 0.00 0.00 42.92 40.02 3kz4 s ASP 157 CO 0.29 -0.29 0.00 0.61 0.52 0.00 0.00 175.17 176.30 3kz4 n GLY 158 N 3.61 3.13 0.29 2.66 0.00 -1.26 -4.80 105.19 108.81 3kz4 n GLY 158 Ca 0.05 -0.86 0.09 0.00 0.00 0.00 0.00 46.02 45.30 3kz4 n GLY 158 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kz4 n ASP 159 N 0.00 -0.18 0.24 1.61 8.00 -1.26 -0.95 116.55 124.02 3kz4 n ASP 159 Ca 0.00 1.39 -0.16 0.00 0.71 0.00 0.00 54.79 56.73 3kz4 n ASP 159 Cb 0.00 -0.47 -0.09 0.00 -0.02 0.00 0.00 41.12 40.54 3kz4 n ASP 159 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 3kz4 h TYR 160 N 0.00 -1.26 -0.96 1.24 3.20 -1.97 -1.22 116.97 115.99 3kz4 h TYR 160 Ca 0.45 0.01 0.27 0.00 3.14 0.00 0.00 58.73 62.61 3kz4 h TYR 160 Cb 0.85 0.50 -0.04 0.00 1.54 0.00 0.00 36.73 39.57 3kz4 h TYR 160 CO -0.50 -0.59 0.68 -0.44 -1.64 0.00 0.00 178.16 175.67 3kz4 h ASP 161 N -0.87 0.05 0.72 -2.11 3.32 -1.36 -1.49 116.42 114.68 3kz4 h ASP 161 Ca -0.05 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 3kz4 h ASP 161 Cb 0.77 -0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.32 3kz4 h ASP 161 CO -0.08 0.02 -0.34 0.58 -1.72 0.00 0.00 179.24 177.69 3kz4 h VAL 162 N 0.05 0.00 -0.67 -1.35 2.07 -0.75 -1.67 116.25 113.92 3kz4 h VAL 162 Ca 0.47 -0.04 0.14 0.00 0.82 0.00 0.00 66.70 68.09 3kz4 h VAL 162 Cb 1.78 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 31.44 3kz4 h VAL 162 CO -0.03 0.00 0.06 0.03 0.02 0.00 0.00 177.57 177.64 3kz4 h ARG 163 N -1.00 0.16 -0.46 1.57 3.08 -0.54 0.93 114.38 118.12 3kz4 h ARG 163 Ca -0.10 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.00 3kz4 h ARG 163 Cb 0.74 -0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.70 3kz4 h ARG 163 CO 0.16 0.10 0.16 1.49 -1.07 0.00 0.00 179.97 180.81 3kz4 h GLU 164 N 0.16 0.32 -0.34 0.04 4.81 -1.39 -2.53 114.58 115.66 3kz4 h GLU 164 Ca 0.36 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 59.63 3kz4 h GLU 164 Cb 0.61 -0.07 -0.08 0.00 0.63 0.00 0.00 28.75 29.83 3kz4 h GLU 164 CO -0.54 0.21 -0.46 -0.92 -0.73 0.00 0.00 179.01 176.57 3kz4 h TYR 165 N 0.33 -1.35 -0.59 0.92 3.20 0.16 -0.46 116.97 119.19 3kz4 h TYR 165 Ca 0.21 0.07 0.12 0.00 3.14 0.00 0.00 58.73 62.27 3kz4 h TYR 165 Cb 0.22 0.64 -0.10 0.00 1.54 0.00 0.00 36.73 39.02 3kz4 h TYR 165 CO -0.16 -0.47 -0.03 0.74 -1.64 0.00 0.00 178.16 176.60 3kz4 h PHE 166 N -0.39 -0.10 -0.91 -3.82 -1.00 -1.17 -0.92 116.94 108.63 3kz4 h PHE 166 Ca 0.11 0.05 0.17 0.00 2.81 0.00 0.00 57.97 61.10 3kz4 h PHE 166 Cb 0.60 0.14 -0.17 0.00 3.61 0.00 0.00 35.95 40.13 3kz4 h PHE 166 CO -0.61 -0.18 -0.28 1.25 -1.61 0.00 0.00 178.31 176.88 3kz4 h LEU 167 N 0.09 -1.03 -1.71 1.54 5.85 -0.67 1.13 115.31 120.50 3kz4 h LEU 167 Ca 0.30 0.28 0.09 0.00 0.84 0.00 0.00 57.88 59.39 3kz4 h LEU 167 Cb 0.48 0.62 -0.03 0.00 0.37 0.00 0.00 40.66 42.10 3kz4 h LEU 167 CO -0.52 -0.30 0.35 0.78 -0.34 0.00 0.00 178.44 178.41 3kz4 h ASN 168 N -0.01 0.30 -0.71 1.25 -0.26 -0.85 0.99 115.58 116.29 3kz4 h ASN 168 Ca 0.40 0.00 0.03 0.00 -0.56 0.00 0.00 56.30 56.18 3kz4 h ASN 168 Cb 0.64 -0.06 -0.04 0.00 -1.06 0.00 0.00 38.32 37.80 3kz4 h ASN 168 CO -0.94 0.19 0.44 -0.07 -1.06 0.00 0.00 177.43 175.99 3kz4 h LEU 169 N 0.34 0.72 -0.21 1.61 4.07 0.14 0.14 115.31 122.13 3kz4 h LEU 169 Ca 0.24 0.00 0.03 0.00 0.08 0.00 0.00 57.88 58.23 3kz4 h LEU 169 Cb 0.49 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 42.05 3kz4 h LEU 169 CO -0.06 0.50 0.01 0.22 -1.08 0.00 0.00 178.44 178.04 3kz4 h TYR 170 N 0.86 0.02 -0.84 1.13 3.20 -0.32 0.53 116.97 121.54 3kz4 h TYR 170 Ca 0.28 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.16 3kz4 h TYR 170 Cb 0.02 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.28 3kz4 h TYR 170 CO -0.04 -0.01 0.48 0.22 -1.64 0.00 0.00 178.16 177.16 3kz4 h ASP 171 N 0.08 1.04 -0.48 -2.11 1.82 -0.97 -1.45 116.42 114.36 3kz4 h ASP 171 Ca 0.10 -0.09 -0.10 0.00 -0.39 0.00 0.00 57.03 56.55 3kz4 h ASP 171 Cb 0.11 -0.26 -0.02 0.00 0.68 0.00 0.00 39.33 39.84 3kz4 h ASP 171 CO -0.15 0.83 -0.10 -0.61 -1.61 0.00 0.00 179.24 177.60 3kz4 h GLN 172 N 1.17 0.91 -0.51 0.28 4.15 -0.19 -2.25 115.11 118.68 3kz4 h GLN 172 Ca 0.30 -0.34 0.07 0.00 0.77 0.00 0.00 58.65 59.45 3kz4 h GLN 172 Cb 0.00 -0.06 -0.06 0.00 0.21 0.00 0.00 27.48 27.58 3kz4 h GLN 172 CO -0.05 0.99 0.17 0.28 -1.93 0.00 0.00 178.83 178.29 3kz4 h VAL 173 N 0.76 0.81 -0.48 2.39 2.07 0.75 -1.75 116.25 120.81 3kz4 h VAL 173 Ca 0.12 -0.12 -0.08 0.00 0.82 0.00 0.00 66.70 67.45 3kz4 h VAL 173 Cb 0.64 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 3kz4 h VAL 173 CO 0.04 0.06 -0.00 -0.07 0.02 0.00 0.00 177.57 177.62 3kz4 h LEU 174 N 0.35 0.83 -1.59 2.57 3.38 -1.14 0.86 115.31 120.57 3kz4 h LEU 174 Ca 0.25 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 3kz4 h LEU 174 Cb 0.27 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 3kz4 h LEU 174 CO -0.26 0.94 -0.21 0.74 0.09 0.00 0.00 178.44 179.75 3kz4 h THR 175 N 0.70 0.76 -0.01 0.22 2.02 -1.19 -2.01 112.91 113.40 3kz4 h THR 175 Ca 0.14 -0.84 0.00 0.00 0.77 0.00 0.00 66.41 66.48 3kz4 h THR 175 Cb 0.51 1.51 0.00 0.00 -1.74 0.00 0.00 68.15 68.43 3kz4 h THR 175 CO 0.03 0.20 -0.60 -0.62 0.37 0.00 0.00 175.52 174.89 3kz4 n GLU 176 N -3.73 1.01 -1.35 6.66 1.02 -0.68 -4.96 120.64 118.62 3kz4 n GLU 176 Ca -0.01 -0.68 -0.51 0.00 -0.02 0.00 0.00 57.16 55.94 3kz4 n GLU 176 Cb 0.32 -1.44 -0.13 0.00 -0.02 0.00 0.00 31.44 30.16 3kz4 n GLU 176 CO 0.00 0.00 0.00 -0.12 1.18 0.00 0.00 177.13 178.19 3kz4 n MET 177 N -0.47 0.00 -1.63 3.49 1.56 0.30 -4.77 117.12 115.59 3kz4 n MET 177 Ca 0.07 0.00 -0.40 0.00 -0.27 0.00 0.00 57.70 57.11 3kz4 n MET 177 Cb 0.41 -1.49 -0.03 0.00 2.15 0.00 0.00 33.22 34.26 3kz4 n MET 177 CO 0.00 0.00 0.00 -2.14 -0.73 0.00 0.00 175.97 173.10 3kz4 s PRO 178 N 7.28 2.65 0.20 2.12 0.02 -1.26 -4.71 135.00 141.30 3kz4 s PRO 178 Ca 1.26 1.63 -0.10 0.00 0.02 0.00 0.00 61.00 63.82 3kz4 s PRO 178 Cb -1.38 -4.46 0.21 0.00 0.02 0.00 0.00 34.50 28.89 3kz4 s PRO 178 CO 0.58 -2.66 1.82 -0.44 -0.33 0.00 0.00 177.00 175.97 3kz4 h ASP 179 N 16.97 0.59 -5.61 2.53 3.45 -1.80 -3.46 116.42 129.09 3kz4 h ASP 179 Ca -0.32 0.02 -0.33 0.00 0.43 0.00 0.00 57.03 56.83 3kz4 h ASP 179 Cb 1.24 -0.10 -0.09 0.00 -0.56 0.00 0.00 39.33 39.83 3kz4 h ASP 179 CO 1.07 0.39 -0.23 -0.72 -1.57 0.00 0.00 179.24 178.18 3kz4 s TYR 180 N -6.11 1.23 -0.02 4.55 -0.85 -1.23 -3.12 117.35 111.81 3kz4 s TYR 180 Ca -0.13 -1.39 -0.19 0.00 -0.52 0.00 0.00 57.07 54.83 3kz4 s TYR 180 Cb 0.15 -0.20 0.04 0.00 0.38 0.00 0.00 41.96 42.34 3kz4 s TYR 180 CO 0.76 -1.12 0.42 -1.17 -1.52 0.00 0.00 175.55 172.92 3kz4 s LEU 181 N -3.28 0.40 -0.11 -3.49 2.96 -1.26 -4.42 118.68 109.49 3kz4 s LEU 181 Ca 0.32 0.24 -0.15 0.00 -0.22 0.00 0.00 54.13 54.33 3kz4 s LEU 181 Cb -0.00 1.66 0.04 0.00 0.50 0.00 0.00 46.19 48.38 3kz4 s LEU 181 CO 0.23 -0.52 0.38 -0.22 -1.32 0.00 0.00 176.35 174.90 3kz4 s LEU 182 N -1.38 0.54 -0.02 -0.68 2.96 -1.26 -4.68 118.68 114.16 3kz4 s LEU 182 Ca -0.12 0.61 0.18 0.00 -0.22 0.00 0.00 54.13 54.58 3kz4 s LEU 182 Cb -0.03 1.37 -0.27 0.00 0.50 0.00 0.00 46.19 47.76 3kz4 s LEU 182 CO 0.05 -0.23 0.47 0.18 -1.32 0.00 0.00 176.35 175.50 3kz4 n LEU 183 N 2.39 0.17 -0.23 -0.68 4.77 -1.26 -4.22 117.00 117.94 3kz4 n LEU 183 Ca -0.15 -0.10 0.22 0.00 -0.03 0.00 0.00 56.01 55.95 3kz4 n LEU 183 Cb 0.57 0.00 0.57 0.00 -2.33 0.00 0.00 43.42 42.23 3kz4 n LEU 183 CO 0.16 0.04 1.23 0.50 -1.33 0.00 0.00 177.39 177.99 3kz4 h LYS 184 N 0.00 0.28 -0.10 3.23 3.64 -1.99 1.47 116.57 123.10 3kz4 h LYS 184 Ca 0.00 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 3kz4 h LYS 184 Cb 0.76 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 3kz4 h LYS 184 CO 0.00 0.19 0.00 -0.25 -2.27 0.00 0.00 179.45 177.12 3kz4 n ASP 185 N -4.45 0.57 0.00 4.20 8.00 -1.26 -3.39 116.55 120.21 3kz4 n ASP 185 Ca 0.19 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.72 3kz4 n ASP 185 Cb 0.78 -0.07 0.00 0.00 -0.02 0.00 0.00 41.12 41.81 3kz4 n ASP 185 CO 0.00 0.00 0.00 0.80 -0.39 0.00 0.00 177.20 177.61 3kz4 n MET 186 N -0.20 -0.17 -1.02 -1.24 1.56 0.50 -5.03 117.12 111.53 3kz4 n MET 186 Ca 0.04 -0.67 -0.36 0.00 -0.27 0.00 0.00 57.70 56.44 3kz4 n MET 186 Cb 0.09 -0.97 0.05 0.00 2.15 0.00 0.00 33.22 34.54 3kz4 n MET 186 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3kz4 n ALA 187 N -0.10 -4.56 -3.66 -5.12 0.00 -1.10 -3.92 120.51 102.06 3kz4 n ALA 187 Ca 0.00 -0.57 -0.03 0.00 0.00 0.00 0.00 53.44 52.84 3kz4 n ALA 187 Cb 0.07 -1.31 -0.01 0.00 0.00 0.00 0.00 19.45 18.19 3kz4 n ALA 187 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3kz4 s VAL 188 N -2.05 0.00 0.09 0.00 1.01 -1.16 -4.73 120.40 113.56 3kz4 s VAL 188 Ca 0.46 -0.37 0.10 0.00 0.00 0.00 0.00 61.98 62.17 3kz4 s VAL 188 Cb -0.24 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 3kz4 s VAL 188 CO 0.77 0.00 -0.26 -1.61 0.00 0.00 0.00 175.10 174.00 3kz4 s GLU 189 N -2.95 1.55 -0.19 2.72 2.02 -1.26 -1.54 118.70 119.06 3kz4 s GLU 189 Ca 0.11 -1.21 -0.15 0.00 0.02 0.00 0.00 54.97 53.75 3kz4 s GLU 189 Cb 0.00 -1.87 -0.04 0.00 0.10 0.00 0.00 34.13 32.32 3kz4 s GLU 189 CO -0.02 0.46 0.36 1.21 0.02 0.00 0.00 175.26 177.29 3kz4 s ASN 190 N -1.63 6.43 0.44 -0.19 3.84 -1.22 -4.81 114.94 117.79 3kz4 s ASN 190 Ca 0.12 0.50 0.12 0.00 0.21 0.00 0.00 52.86 53.81 3kz4 s ASN 190 Cb -0.10 -2.21 0.97 0.00 -0.55 0.00 0.00 41.25 39.36 3kz4 s ASN 190 CO 0.04 -0.02 2.01 0.11 -2.79 0.00 0.00 177.10 176.44 3kz4 h LYS 191 N 7.19 0.13 0.00 0.43 1.79 -1.94 -3.44 116.57 120.73 3kz4 h LYS 191 Ca -0.38 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.07 3kz4 h LYS 191 Cb 1.16 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.79 3kz4 h LYS 191 CO 0.72 0.22 0.00 0.09 -1.08 0.00 0.00 179.45 179.41 3kz4 n ASN 192 N -4.37 1.53 0.00 0.86 3.02 -1.26 -5.11 115.26 109.93 3kz4 n ASN 192 Ca -0.01 -0.65 0.00 0.00 -0.03 0.00 0.00 54.58 53.88 3kz4 n ASN 192 Cb 0.20 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.37 3kz4 n ASN 192 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 3kz4 n SER 193 N -0.96 0.00 0.33 6.41 2.88 -1.25 -4.62 113.62 116.41 3kz4 n SER 193 Ca 0.00 0.00 0.20 0.00 -1.33 0.00 0.00 58.87 57.74 3kz4 n SER 193 Cb 0.00 0.00 1.06 0.00 -0.75 0.00 0.00 64.21 64.52 3kz4 n SER 193 CO 0.00 0.00 0.00 0.08 -1.23 0.00 0.00 175.04 173.89 3kz4 h ARG 194 N 0.00 0.00 0.00 -1.46 0.11 -1.91 -3.46 114.38 107.66 3kz4 h ARG 194 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3kz4 h ARG 194 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 3kz4 h ARG 194 CO 0.00 0.00 0.00 -0.40 0.10 0.00 0.00 179.97 179.67 3kz4 n ASP 195 N -2.99 0.00 -0.10 0.08 5.75 -1.26 -5.02 116.55 113.01 3kz4 n ASP 195 Ca -0.03 0.00 0.01 0.00 -0.01 0.00 0.00 54.79 54.76 3kz4 n ASP 195 Cb 0.19 0.00 0.03 0.00 -1.03 0.00 0.00 41.12 40.30 3kz4 n ASP 195 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kz4 n ALA 196 N -3.00 0.02 0.00 2.12 0.00 -1.26 -4.75 120.51 113.64 3kz4 n ALA 196 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 53.44 53.72 3kz4 n ALA 196 Cb 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 19.45 19.30 3kz4 n ALA 196 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kz4 n GLY 197 N -1.15 1.14 0.05 0.00 0.00 -1.26 -3.39 105.19 100.58 3kz4 n GLY 197 Ca 0.04 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3kz4 n GLY 197 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kz4 n LYS 198 N 0.00 0.00 -0.05 1.61 5.02 -1.24 -3.94 118.16 119.56 3kz4 n LYS 198 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3kz4 n LYS 198 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3kz4 n LYS 198 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3kz4 n VAL 199 N 0.61 0.00 -3.97 -0.18 0.31 -0.59 -4.38 118.33 110.13 3kz4 n VAL 199 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.02 3kz4 n VAL 199 Cb 0.00 -0.32 -0.16 0.00 -0.91 0.00 0.00 33.84 32.46 3kz4 n VAL 199 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3kz4 s VAL 200 N 1.27 1.64 0.00 2.52 1.01 -1.14 -3.00 120.40 122.69 3kz4 s VAL 200 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 61.98 60.79 3kz4 s VAL 200 Cb 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.56 3kz4 s VAL 200 CO 0.00 -0.00 0.00 -0.67 0.00 0.00 0.00 175.10 174.43 3kz4 n ASP 201 N 4.65 -1.75 0.00 3.32 -0.08 -1.25 -4.45 116.55 116.99 3kz4 n ASP 201 Ca -0.13 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.15 3kz4 n ASP 201 Cb 0.45 -0.87 0.00 0.00 2.34 0.00 0.00 41.12 43.03 3kz4 n ASP 201 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 3kz4 n SER 202 N 0.00 0.00 -0.20 1.67 7.64 -1.26 0.17 113.62 121.64 3kz4 n SER 202 Ca 0.00 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.87 3kz4 n SER 202 Cb 0.00 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.26 3kz4 n SER 202 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 3kz4 h GLU 203 N 0.00 -0.00 -0.36 1.43 4.39 -2.00 0.21 114.58 118.25 3kz4 h GLU 203 Ca 0.00 0.00 0.07 0.00 0.34 0.00 0.00 59.36 59.77 3kz4 h GLU 203 Cb 0.00 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 28.56 3kz4 h GLU 203 CO 0.00 -0.00 -0.41 1.15 -1.16 0.00 0.00 179.01 178.59 3kz4 h THR 204 N -0.00 0.14 0.01 1.13 2.02 0.15 -2.21 112.91 114.15 3kz4 h THR 204 Ca 0.29 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.47 3kz4 h THR 204 Cb 0.44 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 3kz4 h THR 204 CO -0.62 0.00 -0.07 0.00 0.37 0.00 0.00 175.52 175.20 3kz4 h ALA 205 N 0.44 -0.59 -0.79 6.16 0.00 -0.66 -3.01 119.26 120.80 3kz4 h ALA 205 Ca 0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3kz4 h ALA 205 Cb 0.58 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.90 3kz4 h ALA 205 CO -0.54 -0.61 0.00 0.45 0.00 0.00 0.00 179.25 178.55 3kz4 n SER 206 N -2.85 0.00 -0.20 0.00 2.88 -0.17 -0.92 113.62 112.36 3kz4 n SER 206 Ca -0.01 0.47 -0.02 0.00 -1.33 0.00 0.00 58.87 57.97 3kz4 n SER 206 Cb 0.05 -0.17 -0.00 0.00 -0.75 0.00 0.00 64.21 63.34 3kz4 n SER 206 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 3kz4 n ILE 207 N -1.80 -0.29 0.06 2.46 5.41 -0.86 -0.97 119.36 123.37 3kz4 n ILE 207 Ca 0.00 1.18 -0.06 0.00 1.00 0.00 0.00 62.75 64.87 3kz4 n ILE 207 Cb 0.00 -1.52 -0.03 0.00 -0.71 0.00 0.00 39.64 37.37 3kz4 n ILE 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3kz4 h ASP 209 N -0.28 0.54 0.16 0.00 3.32 -0.84 0.28 116.42 119.61 3kz4 h ASP 209 Ca -0.01 0.16 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 3kz4 h ASP 209 Cb 0.27 0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.91 3kz4 h ASP 209 CO -0.07 -0.04 -0.08 0.00 -1.72 0.00 0.00 179.24 177.33 3kz4 h ALA 210 N 1.77 -0.98 -0.71 3.45 0.00 -0.15 -3.03 119.26 119.61 3kz4 h ALA 210 Ca 0.70 -0.05 0.15 0.00 0.00 0.00 0.00 54.91 55.72 3kz4 h ALA 210 Cb 1.58 0.08 -0.04 0.00 0.00 0.00 0.00 17.79 19.41 3kz4 h ALA 210 CO -0.52 -0.96 0.48 0.82 0.00 0.00 0.00 179.25 179.07 3kz4 h ILE 211 N -0.23 0.77 0.00 0.00 2.04 -0.43 -0.00 117.51 119.66 3kz4 h ILE 211 Ca -0.02 -0.11 0.00 0.00 1.00 0.00 0.00 64.86 65.73 3kz4 h ILE 211 Cb 0.16 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 3kz4 h ILE 211 CO 0.04 0.06 0.00 0.33 0.00 0.00 0.00 178.15 178.57 3kz4 n PHE 212 N -4.45 0.00 0.00 1.37 7.35 0.94 -3.14 117.46 119.53 3kz4 n PHE 212 Ca 0.14 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.83 3kz4 n PHE 212 Cb 0.56 -0.02 0.00 0.00 0.35 0.00 0.00 39.48 40.37 3kz4 n PHE 212 CO 0.00 0.00 0.00 1.04 -0.76 0.00 0.00 176.76 177.04 3kz4 n GLN 213 N 0.02 0.00 -2.36 -4.13 6.02 -0.03 -4.97 117.38 111.94 3kz4 n GLN 213 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.00 56.63 3kz4 n GLN 213 Cb 0.06 -0.27 -0.03 0.00 1.02 0.00 0.00 30.24 31.02 3kz4 n GLN 213 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3kz4 s ASP 214 N -4.13 5.99 0.00 1.08 -1.08 -1.15 -4.84 116.67 112.54 3kz4 s ASP 214 Ca 0.00 -1.42 0.00 0.00 -0.52 0.00 0.00 52.55 50.61 3kz4 s ASP 214 Cb 0.00 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 38.89 3kz4 s ASP 214 CO 0.00 -2.00 0.00 -0.62 0.52 0.00 0.00 175.17 173.07 3kz4 n GLU 215 N 8.72 0.00 0.00 4.34 -0.58 -1.26 -4.88 120.64 126.98 3kz4 n GLU 215 Ca 0.39 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.13 3kz4 n GLU 215 Cb 0.48 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.35 3kz4 n GLU 215 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 3kz4 n GLU 216 N 0.00 3.94 0.00 3.49 0.00 -1.26 -4.89 120.64 121.92 3kz4 n GLU 216 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 57.16 57.18 3kz4 n GLU 216 Cb 0.00 0.00 0.09 0.00 0.00 0.00 0.00 31.44 31.53 3kz4 n GLU 216 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 3kz4 n THR 217 N 0.00 0.00 -4.11 3.84 -1.04 -1.26 -4.92 114.28 106.78 3kz4 n THR 217 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3kz4 n THR 217 Cb 0.00 -0.94 0.00 0.00 -1.82 0.00 0.00 70.33 67.57 3kz4 n THR 217 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3kz4 n GLU 218 N -0.99 0.00 0.00 -2.82 1.02 -1.26 -4.73 120.64 111.86 3kz4 n GLU 218 Ca 0.02 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.16 3kz4 n GLU 218 Cb 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.43 3kz4 n GLU 218 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kz4 n GLY 219 N 0.00 0.00 0.02 0.62 0.00 -1.26 -1.21 105.19 103.36 3kz4 n GLY 219 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 3kz4 n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kz4 n ALA 220 N 0.00 0.06 -0.04 4.61 0.00 -1.26 0.13 120.51 124.01 3kz4 n ALA 220 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 53.44 53.46 3kz4 n ALA 220 Cb 0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 19.45 19.41 3kz4 n ALA 220 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3kz4 h VAL 221 N 0.00 0.00 -0.56 0.00 2.07 -1.49 -2.92 116.25 113.36 3kz4 h VAL 221 Ca 0.03 -0.79 0.11 0.00 0.82 0.00 0.00 66.70 66.88 3kz4 h VAL 221 Cb 0.13 0.00 -0.11 0.00 -1.52 0.00 0.00 31.29 29.79 3kz4 h VAL 221 CO -0.00 0.00 -0.15 0.03 0.02 0.00 0.00 177.57 177.47 3kz4 h ARG 222 N -0.79 -0.01 -0.23 1.57 3.08 0.11 -0.34 114.38 117.76 3kz4 h ARG 222 Ca 0.00 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.08 3kz4 h ARG 222 Cb 0.10 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.10 3kz4 h ARG 222 CO 0.00 -0.01 -0.44 0.00 -1.07 0.00 0.00 179.97 178.45 3kz4 h ARG 223 N -0.01 -0.36 0.23 0.04 2.47 -1.32 -0.91 114.38 114.51 3kz4 h ARG 223 Ca 0.27 0.02 0.00 0.00 -1.26 0.00 0.00 59.98 59.01 3kz4 h ARG 223 Cb 0.42 0.08 -0.04 0.00 -1.65 0.00 0.00 29.97 28.79 3kz4 h ARG 223 CO -0.58 -0.24 -0.48 0.35 0.56 0.00 0.00 179.97 179.58 3kz4 h PHE 224 N -0.38 -1.37 -1.41 3.04 3.57 -1.15 0.19 116.94 119.44 3kz4 h PHE 224 Ca 0.04 0.03 0.45 0.00 3.53 0.00 0.00 57.97 62.02 3kz4 h PHE 224 Cb 0.50 0.57 -0.12 0.00 2.79 0.00 0.00 35.95 39.69 3kz4 h PHE 224 CO -0.64 -0.57 0.93 0.82 -2.23 0.00 0.00 178.31 176.62 3kz4 h ILE 225 N -0.77 0.11 0.00 1.41 2.04 -0.83 -3.08 117.51 116.39 3kz4 h ILE 225 Ca -0.02 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 65.81 3kz4 h ILE 225 Cb 0.73 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 3kz4 h ILE 225 CO -0.19 0.01 0.00 0.00 0.00 0.00 0.00 178.15 177.97 3kz4 n ALA 226 N -2.58 0.00 -0.15 1.87 0.00 0.66 -3.59 120.51 116.71 3kz4 n ALA 226 Ca 0.38 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.80 3kz4 n ALA 226 Cb 1.51 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.94 3kz4 n ALA 226 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3kz4 n GLU 227 N -0.02 0.30 -3.89 0.00 -0.58 -1.08 -3.58 120.64 111.79 3kz4 n GLU 227 Ca 0.00 -0.13 -0.33 0.00 -0.42 0.00 0.00 57.16 56.28 3kz4 n GLU 227 Cb 0.00 -1.54 -0.13 0.00 -0.57 0.00 0.00 31.44 29.20 3kz4 n GLU 227 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 3kz4 s MET 228 N 2.43 1.98 0.00 3.49 -2.45 -1.17 -4.98 119.30 118.60 3kz4 s MET 228 Ca 0.09 -2.27 0.00 0.00 -1.25 0.00 0.00 55.69 52.25 3kz4 s MET 228 Cb 0.04 -3.43 0.00 0.00 1.25 0.00 0.00 34.83 32.69 3kz4 s MET 228 CO 0.00 -1.07 0.00 2.89 1.05 0.00 0.00 175.02 177.89 3kz4 n ARG 229 N 3.74 0.81 -4.27 4.11 -4.01 -1.26 -4.86 116.66 110.92 3kz4 n ARG 229 Ca 0.04 0.00 -0.24 0.00 -1.04 0.00 0.00 57.85 56.61 3kz4 n ARG 229 Cb 0.38 0.00 -0.08 0.00 -3.04 0.00 0.00 32.46 29.72 3kz4 n ARG 229 CO 0.00 0.00 0.00 1.14 -3.04 0.00 0.00 177.63 175.73 3kz4 s GLN 230 N -1.74 2.16 -0.24 2.89 1.03 -1.25 -4.31 119.66 118.19 3kz4 s GLN 230 Ca 0.00 -1.74 -0.27 0.00 0.04 0.00 0.00 55.36 53.39 3kz4 s GLN 230 Cb 0.00 -1.97 0.14 0.00 0.03 0.00 0.00 33.01 31.21 3kz4 s GLN 230 CO 0.00 0.08 1.10 0.50 -2.54 0.00 0.00 175.29 174.43 3kz4 s ARG 231 N -3.77 0.44 -0.09 9.60 3.52 -1.00 -5.02 118.95 122.62 3kz4 s ARG 231 Ca 0.36 0.31 -0.01 0.00 -0.13 0.00 0.00 55.73 56.27 3kz4 s ARG 231 Cb 0.01 0.21 -0.03 0.00 -1.56 0.00 0.00 34.95 33.58 3kz4 s ARG 231 CO 0.20 -0.09 -0.05 0.08 -0.81 0.00 0.00 175.30 174.63 3kz4 s VAL 232 N -0.39 3.84 -0.79 7.11 1.01 -1.26 -2.50 120.40 127.42 3kz4 s VAL 232 Ca 0.02 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 61.58 3kz4 s VAL 232 Cb -0.03 -2.60 0.36 0.00 0.00 0.00 0.00 36.38 34.11 3kz4 s VAL 232 CO -0.05 0.58 1.87 0.00 0.00 0.00 0.00 175.10 177.50 3kz4 n GLN 233 N 2.53 2.99 0.00 2.72 6.02 -1.23 -4.92 117.38 125.49 3kz4 n GLN 233 Ca -0.18 -3.74 0.00 0.00 -0.01 0.00 0.00 57.00 53.07 3kz4 n GLN 233 Cb 0.53 -2.28 0.00 0.00 1.02 0.00 0.00 30.24 29.51 3kz4 n GLN 233 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kz4 n ALA 234 N -0.51 0.00 -0.31 -1.58 0.00 -1.26 -1.70 120.51 115.15 3kz4 n ALA 234 Ca 0.51 0.00 0.06 0.00 0.00 0.00 0.00 53.44 54.02 3kz4 n ALA 234 Cb 0.30 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.91 3kz4 n ALA 234 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3kz4 h ASP 235 N 0.00 -0.68 -0.33 0.00 3.32 -1.93 0.28 116.42 117.08 3kz4 h ASP 235 Ca 0.00 0.26 0.00 0.00 0.02 0.00 0.00 57.03 57.31 3kz4 h ASP 235 Cb 0.00 0.51 0.00 0.00 0.22 0.00 0.00 39.33 40.06 3kz4 h ASP 235 CO 0.00 -0.29 0.00 0.54 -1.72 0.00 0.00 179.24 177.77 3kz4 n ARG 236 N -5.52 2.01 -2.23 3.56 1.74 -0.69 -4.90 116.66 110.64 3kz4 n ARG 236 Ca 0.16 -1.55 -0.17 0.00 -0.77 0.00 0.00 57.85 55.52 3kz4 n ARG 236 Cb 0.52 -1.40 -0.01 0.00 -1.02 0.00 0.00 32.46 30.54 3kz4 n ARG 236 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3kz4 n ASN 237 N 0.76 -4.92 -4.93 0.55 2.85 0.97 -4.99 115.26 105.54 3kz4 n ASN 237 Ca 0.16 0.03 -0.25 0.00 -0.11 0.00 0.00 54.58 54.41 3kz4 n ASN 237 Cb 0.40 -4.01 -0.01 0.00 1.24 0.00 0.00 39.78 37.40 3kz4 n ASN 237 CO 0.00 0.00 0.00 -0.69 -2.11 0.00 0.00 177.26 174.46 3kz4 s VAL 238 N -2.81 5.01 -0.02 3.44 1.01 -1.26 -2.84 120.40 122.93 3kz4 s VAL 238 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.74 3kz4 s VAL 238 Cb 0.00 -3.85 0.03 0.00 0.00 0.00 0.00 36.38 32.56 3kz4 s VAL 238 CO 0.00 -0.65 0.02 -0.69 0.00 0.00 0.00 175.10 173.78 3kz4 s VAL 239 N -2.47 -0.00 -0.32 2.92 1.01 -1.08 -3.48 120.40 116.98 3kz4 s VAL 239 Ca 0.43 0.19 -0.01 0.00 0.00 0.00 0.00 61.98 62.58 3kz4 s VAL 239 Cb -0.10 -0.12 0.06 0.00 0.00 0.00 0.00 36.38 36.22 3kz4 s VAL 239 CO 0.39 0.10 0.03 0.20 0.00 0.00 0.00 175.10 175.82 3kz4 s ASN 240 N 1.05 4.93 -0.09 3.32 0.01 -1.04 -3.26 114.94 119.85 3kz4 s ASN 240 Ca -0.09 -1.46 0.04 0.00 -0.71 0.00 0.00 52.86 50.64 3kz4 s ASN 240 Cb -0.13 -1.72 -0.00 0.00 0.41 0.00 0.00 41.25 39.81 3kz4 s ASN 240 CO -0.03 -0.31 -0.24 -0.31 -1.51 0.00 0.00 177.10 174.70 3kz4 s TYR 241 N 1.21 2.55 0.61 2.20 1.51 -0.98 -2.38 117.35 122.06 3kz4 s TYR 241 Ca -0.02 -0.99 -0.10 0.00 -1.01 0.00 0.00 57.07 54.94 3kz4 s TYR 241 Cb -0.20 -1.70 -0.03 0.00 -0.11 0.00 0.00 41.96 39.92 3kz4 s TYR 241 CO -0.02 -0.39 1.01 -2.14 -1.11 0.00 0.00 175.55 172.90 3kz4 s PRO 242 N 0.27 3.50 -0.25 -1.71 0.02 -1.26 -1.90 135.00 133.67 3kz4 s PRO 242 Ca -0.17 0.64 -0.27 0.00 0.02 0.00 0.00 61.00 61.22 3kz4 s PRO 242 Cb -0.17 -2.11 0.16 0.00 0.02 0.00 0.00 34.50 32.40 3kz4 s PRO 242 CO 0.08 -0.58 1.21 -1.54 -0.33 0.00 0.00 177.00 175.85 3kz4 s SER 243 N -4.19 -0.22 -0.02 2.53 1.04 -1.13 -2.89 113.70 108.82 3kz4 s SER 243 Ca 0.54 0.33 0.03 0.00 0.48 0.00 0.00 55.95 57.33 3kz4 s SER 243 Cb -0.11 0.31 -0.03 0.00 0.10 0.00 0.00 66.02 66.28 3kz4 s SER 243 CO 0.53 -0.14 -0.08 -0.63 0.98 0.00 0.00 173.24 173.90 3kz4 s ILE 244 N -0.50 3.58 0.00 -1.02 1.01 -1.26 -1.76 121.20 121.24 3kz4 s ILE 244 Ca 0.04 -0.69 0.00 0.00 0.00 0.00 0.00 60.65 60.00 3kz4 s ILE 244 Cb -0.03 -2.51 0.00 0.00 0.01 0.00 0.00 42.46 39.93 3kz4 s ILE 244 CO -0.07 0.47 0.00 0.18 0.00 0.00 0.00 174.94 175.52 3kz4 n LEU 245 N 1.83 0.00 0.00 2.97 4.77 -1.24 -4.83 117.00 120.51 3kz4 n LEU 245 Ca -0.16 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 3kz4 n LEU 245 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3kz4 n LEU 245 CO 0.29 0.00 0.00 1.57 -1.33 0.00 0.00 177.39 177.92 3kz4 n HIS 246 N -0.28 0.00 -0.10 -1.77 -0.00 -1.26 -4.86 115.22 106.95 3kz4 n HIS 246 Ca 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.77 3kz4 n HIS 246 Cb 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 29.99 30.08 3kz4 n HIS 246 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.34 174.04 3kz4 n PRO 247 N 0.00 -0.02 0.17 1.57 -0.02 -1.26 0.39 135.00 135.83 3kz4 n PRO 247 Ca 0.00 0.45 0.03 0.00 -2.02 0.00 0.00 63.50 61.96 3kz4 n PRO 247 Cb 0.00 -0.72 0.27 0.00 -0.02 0.00 0.00 33.50 33.04 3kz4 n PRO 247 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3kz4 h ILE 248 N 0.00 1.07 0.07 4.25 2.04 -1.99 -2.26 117.51 120.68 3kz4 h ILE 248 Ca 0.18 -1.74 -0.00 0.00 1.00 0.00 0.00 64.86 64.30 3kz4 h ILE 248 Cb 0.39 2.01 0.00 0.00 -0.74 0.00 0.00 36.82 38.48 3kz4 h ILE 248 CO -0.28 0.45 -0.03 0.44 0.00 0.00 0.00 178.15 178.73 3kz4 h ASP 249 N 0.00 -0.08 -0.84 1.72 3.32 0.72 -2.94 116.42 118.31 3kz4 h ASP 249 Ca -0.00 -0.51 0.21 0.00 0.02 0.00 0.00 57.03 56.75 3kz4 h ASP 249 Cb 0.98 0.02 -0.13 0.00 0.22 0.00 0.00 39.33 40.41 3kz4 h ASP 249 CO 0.06 0.61 0.22 0.22 -1.72 0.00 0.00 179.24 178.63 3kz4 h TYR 250 N -0.91 0.33 -0.66 4.55 3.20 -1.40 0.33 116.97 122.41 3kz4 h TYR 250 Ca -0.01 0.05 0.08 0.00 3.14 0.00 0.00 58.73 61.99 3kz4 h TYR 250 Cb 0.58 -0.01 -0.11 0.00 1.54 0.00 0.00 36.73 38.73 3kz4 h TYR 250 CO 0.13 -0.17 -0.49 0.00 -1.64 0.00 0.00 178.16 175.99 3kz4 h ALA 251 N 1.73 -0.44 -3.00 1.82 0.00 -1.38 -0.36 119.26 117.63 3kz4 h ALA 251 Ca 0.51 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.52 3kz4 h ALA 251 Cb 0.99 1.09 0.00 0.00 0.00 0.00 0.00 17.79 19.87 3kz4 h ALA 251 CO -0.61 -0.90 0.00 1.19 0.00 0.00 0.00 179.25 178.93 3kz4 n PHE 252 N -5.37 0.00 -0.13 0.00 0.99 0.11 -3.37 117.46 109.70 3kz4 n PHE 252 Ca 0.01 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.57 3kz4 n PHE 252 Cb 0.33 0.00 0.19 0.00 -1.00 0.00 0.00 39.48 39.01 3kz4 n PHE 252 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 3kz4 n ASN 253 N 0.00 0.08 0.00 4.37 3.02 -1.12 -0.38 115.26 121.23 3kz4 n ASN 253 Ca 0.00 0.44 0.00 0.00 -0.03 0.00 0.00 54.58 54.99 3kz4 n ASN 253 Cb 0.00 -0.22 0.00 0.00 -0.61 0.00 0.00 39.78 38.95 3kz4 n ASN 253 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 3kz4 n GLU 254 N -3.39 0.00 -0.56 3.52 4.07 -0.15 -1.96 120.64 122.17 3kz4 n GLU 254 Ca 0.12 0.35 0.46 0.00 -0.06 0.00 0.00 57.16 58.03 3kz4 n GLU 254 Cb 0.44 -1.15 0.80 0.00 -0.06 0.00 0.00 31.44 31.47 3kz4 n GLU 254 CO 0.00 0.00 0.00 -0.92 -0.06 0.00 0.00 177.13 176.15 3kz4 h TYR 255 N 0.00 0.01 0.00 4.31 3.20 -0.72 2.35 116.97 126.12 3kz4 h TYR 255 Ca 0.00 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.86 3kz4 h TYR 255 Cb 0.00 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 38.27 3kz4 h TYR 255 CO -0.07 -0.00 -0.04 0.74 -1.64 0.00 0.00 178.16 177.14 3kz4 h PHE 256 N 0.00 0.00 0.15 -3.82 -1.00 -1.33 -1.11 116.94 109.84 3kz4 h PHE 256 Ca 0.80 0.00 -0.27 0.00 2.81 0.00 0.00 57.97 61.30 3kz4 h PHE 256 Cb 3.18 0.00 0.01 0.00 3.61 0.00 0.00 35.95 42.75 3kz4 h PHE 256 CO -0.00 0.04 -1.33 -0.07 -1.61 0.00 0.00 178.31 175.35 3kz4 h LEU 257 N 0.00 0.50 0.00 1.54 3.38 0.44 -3.13 115.31 118.04 3kz4 h LEU 257 Ca -0.00 -0.90 0.00 0.00 0.09 0.00 0.00 57.88 57.07 3kz4 h LEU 257 Cb 0.08 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.67 3kz4 h LEU 257 CO 0.01 1.60 0.00 0.00 0.09 0.00 0.00 178.44 180.14 3kz4 n GLN 258 N -3.89 0.90 -0.00 1.13 1.13 -0.93 -3.87 117.38 111.83 3kz4 n GLN 258 Ca -0.21 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 54.84 3kz4 n GLN 258 Cb 0.94 -1.15 -0.00 0.00 0.11 0.00 0.00 30.24 30.13 3kz4 n GLN 258 CO 0.00 0.00 0.00 1.58 -1.44 0.00 0.00 177.06 177.20 3kz4 n HIS 259 N -0.65 0.00 -0.06 1.08 -0.00 -0.46 -5.04 115.22 110.08 3kz4 n HIS 259 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.78 3kz4 n HIS 259 Cb 0.03 -0.04 0.00 0.00 -0.00 0.00 0.00 29.99 29.98 3kz4 n HIS 259 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 3kz4 n GLN 260 N -2.95 0.00 -1.10 1.57 6.02 -1.18 -4.67 117.38 115.06 3kz4 n GLN 260 Ca -0.02 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.63 3kz4 n GLN 260 Cb 0.51 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.75 3kz4 n GLN 260 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 3kz4 n LEU 261 N 0.27 5.57 -3.45 1.08 7.94 -1.18 -4.70 117.00 122.53 3kz4 n LEU 261 Ca 0.00 -3.31 -0.29 0.00 -1.11 0.00 0.00 56.01 51.30 3kz4 n LEU 261 Cb 0.00 -1.26 -0.12 0.00 0.53 0.00 0.00 43.42 42.57 3kz4 n LEU 261 CO 0.00 0.62 -0.32 -0.69 -1.11 0.00 0.00 177.39 175.89 3kz4 s VAL 262 N 3.68 0.15 1.05 1.96 1.01 -1.26 -4.27 120.40 122.71 3kz4 s VAL 262 Ca 0.51 -1.82 -0.13 0.00 0.00 0.00 0.00 61.98 60.55 3kz4 s VAL 262 Cb 0.13 -1.12 0.22 0.00 0.00 0.00 0.00 36.38 35.60 3kz4 s VAL 262 CO 0.00 -1.02 1.08 -1.61 0.00 0.00 0.00 175.10 173.55 3kz4 s GLU 263 N 0.95 0.02 0.00 2.72 2.02 -1.26 -4.67 118.70 118.48 3kz4 s GLU 263 Ca 0.20 0.59 0.00 0.00 0.02 0.00 0.00 54.97 55.77 3kz4 s GLU 263 Cb -0.20 -1.68 0.00 0.00 0.10 0.00 0.00 34.13 32.35 3kz4 s GLU 263 CO -0.02 -3.03 0.00 -2.30 0.02 0.00 0.00 175.26 169.94 3kz4 n PRO 264 N -4.39 1.61 0.00 0.39 -0.02 -1.26 -1.43 135.00 129.90 3kz4 n PRO 264 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 3kz4 n PRO 264 Cb 0.56 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.04 3kz4 n PRO 264 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3kz4 n LEU 265 N 0.00 0.00 -4.60 2.45 7.94 -1.25 -2.98 117.00 118.56 3kz4 n LEU 265 Ca 0.00 0.00 -0.26 0.00 -1.11 0.00 0.00 56.01 54.64 3kz4 n LEU 265 Cb 0.00 0.00 -0.10 0.00 0.53 0.00 0.00 43.42 43.85 3kz4 n LEU 265 CO 0.00 0.00 -0.32 0.20 -1.11 0.00 0.00 177.39 176.16 3kz4 s ASN 266 N 0.00 3.92 0.16 1.96 0.01 -1.26 -4.59 114.94 115.14 3kz4 s ASN 266 Ca 0.00 -1.22 -0.22 0.00 -0.71 0.00 0.00 52.86 50.70 3kz4 s ASN 266 Cb 0.00 -0.41 0.06 0.00 0.41 0.00 0.00 41.25 41.32 3kz4 s ASN 266 CO 0.00 -0.33 1.61 0.78 -1.51 0.00 0.00 177.10 177.65 3kz4 h ASN 267 N 1.84 -0.96 -0.92 -1.22 2.35 -1.98 -1.10 115.58 113.60 3kz4 h ASN 267 Ca -0.43 0.18 0.27 0.00 -0.55 0.00 0.00 56.30 55.76 3kz4 h ASN 267 Cb 1.25 0.46 -0.15 0.00 0.05 0.00 0.00 38.32 39.92 3kz4 h ASN 267 CO 0.74 -0.30 0.30 0.44 -1.65 0.00 0.00 177.43 176.96 3kz4 h ASP 268 N -0.24 0.07 -0.34 5.81 3.32 -1.99 -0.46 116.42 122.60 3kz4 h ASP 268 Ca 0.17 0.21 -0.13 0.00 0.02 0.00 0.00 57.03 57.30 3kz4 h ASP 268 Cb 0.51 0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 3kz4 h ASP 268 CO -0.50 -0.19 -0.27 0.40 -1.72 0.00 0.00 179.24 176.97 3kz4 h ILE 269 N 0.20 1.27 0.07 0.35 2.04 -1.60 -0.66 117.51 119.18 3kz4 h ILE 269 Ca 0.61 -1.41 0.01 0.00 1.00 0.00 0.00 64.86 65.07 3kz4 h ILE 269 Cb 1.30 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 38.61 3kz4 h ILE 269 CO -0.68 0.47 -0.13 0.40 0.00 0.00 0.00 178.15 178.22 3kz4 h ILE 270 N 0.73 0.70 -0.57 -0.67 2.04 -0.92 0.22 117.51 119.05 3kz4 h ILE 270 Ca 0.09 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.06 3kz4 h ILE 270 Cb 0.81 0.70 -0.09 0.00 -0.74 0.00 0.00 36.82 37.51 3kz4 h ILE 270 CO 0.07 0.00 0.06 0.15 0.00 0.00 0.00 178.15 178.43 3kz4 h PHE 271 N -0.25 0.07 0.00 1.37 3.57 -1.20 -1.84 116.94 118.66 3kz4 h PHE 271 Ca 0.02 0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.50 3kz4 h PHE 271 Cb 0.27 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.06 3kz4 h PHE 271 CO -0.15 -0.09 -0.30 -0.91 -2.23 0.00 0.00 178.31 174.63 3kz4 h ASN 272 N 0.18 0.00 -0.09 0.41 2.35 -0.21 -2.72 115.58 115.50 3kz4 h ASN 272 Ca 0.29 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.04 3kz4 h ASN 272 Cb 0.45 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.82 3kz4 h ASN 272 CO -0.43 0.30 0.00 0.00 -1.65 0.00 0.00 177.43 175.65 3kz4 n TYR 273 N -4.00 0.14 -3.33 1.19 -0.00 -0.02 -4.47 117.16 106.67 3kz4 n TYR 273 Ca -0.02 -0.06 -0.46 0.00 -0.00 0.00 0.00 57.90 57.36 3kz4 n TYR 273 Cb 0.36 -0.02 -0.04 0.00 -0.00 0.00 0.00 39.34 39.64 3kz4 n TYR 273 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.86 177.28 3kz4 s ILE 274 N -1.79 5.30 0.00 2.97 1.01 -1.03 -4.98 121.20 122.69 3kz4 s ILE 274 Ca 0.06 -1.84 0.00 0.00 0.00 0.00 0.00 60.65 58.87 3kz4 s ILE 274 Cb 0.03 -4.36 0.00 0.00 0.01 0.00 0.00 42.46 38.14 3kz4 s ILE 274 CO 0.04 -0.92 0.00 -2.65 0.00 0.00 0.00 174.94 171.41 3kz4 n PRO 275 N 4.81 0.00 -0.06 2.79 -0.02 -1.26 -4.44 135.00 136.81 3kz4 n PRO 275 Ca -0.05 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.43 3kz4 n PRO 275 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.90 3kz4 n PRO 275 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3kz4 n GLU 276 N 0.00 0.24 0.00 -0.52 -0.58 -1.26 -0.97 120.64 117.55 3kz4 n GLU 276 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3kz4 n GLU 276 Cb 0.00 -1.38 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 3kz4 n GLU 276 CO 0.00 0.00 0.00 2.89 -0.48 0.00 0.00 177.13 179.54 3kz4 n ARG 277 N 1.38 0.00 -0.04 3.49 1.85 -1.26 -4.78 116.66 117.30 3kz4 n ARG 277 Ca 0.00 -0.02 -0.07 0.00 -1.00 0.00 0.00 57.85 56.76 3kz4 n ARG 277 Cb 0.12 -0.30 -0.04 0.00 -1.05 0.00 0.00 32.46 31.20 3kz4 n ARG 277 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 3kz4 n ILE 278 N 0.00 0.48 -0.27 8.89 5.41 -0.14 -3.14 119.36 130.58 3kz4 n ILE 278 Ca 0.00 -0.17 0.03 0.00 1.00 0.00 0.00 62.75 63.61 3kz4 n ILE 278 Cb 0.27 -1.04 0.24 0.00 -0.71 0.00 0.00 39.64 38.41 3kz4 n ILE 278 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 3kz4 h ARG 279 N -0.09 0.99 -0.48 0.38 3.08 -1.76 -0.49 114.38 116.01 3kz4 h ARG 279 Ca -0.20 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 59.67 3kz4 h ARG 279 Cb 1.26 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 3kz4 h ARG 279 CO -0.06 0.66 -0.18 -0.91 -1.07 0.00 0.00 179.97 178.40 3kz4 h ASN 280 N 1.02 0.99 -2.36 7.04 4.21 -1.83 -3.43 115.58 121.22 3kz4 h ASN 280 Ca 0.35 -0.39 -0.56 0.00 1.21 0.00 0.00 56.30 56.91 3kz4 h ASN 280 Cb 0.09 -0.27 0.05 0.00 -1.12 0.00 0.00 38.32 37.07 3kz4 h ASN 280 CO -0.11 1.16 0.95 -0.67 -1.29 0.00 0.00 177.43 177.46 3kz4 n ASP 281 N -4.15 3.52 0.00 5.81 -0.08 -0.19 -4.91 116.55 116.55 3kz4 n ASP 281 Ca 0.00 1.04 0.00 0.00 -1.51 0.00 0.00 54.79 54.32 3kz4 n ASP 281 Cb 0.44 -1.47 0.00 0.00 2.34 0.00 0.00 41.12 42.43 3kz4 n ASP 281 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 3kz4 n VAL 282 N 4.03 0.00 0.11 5.18 0.31 -1.26 -3.67 118.33 123.02 3kz4 n VAL 282 Ca 0.18 1.38 0.00 0.00 -0.01 0.00 0.00 64.34 65.89 3kz4 n VAL 282 Cb 0.32 -2.37 0.00 0.00 -0.91 0.00 0.00 33.84 30.88 3kz4 n VAL 282 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3kz4 n ASN 283 N -1.92 0.00 -4.50 4.52 3.02 -1.26 -4.43 115.26 110.69 3kz4 n ASN 283 Ca 0.00 0.16 -0.26 0.00 -0.03 0.00 0.00 54.58 54.45 3kz4 n ASN 283 Cb 0.00 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.07 3kz4 n ASN 283 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3kz4 s TYR 284 N -2.01 2.46 -0.05 3.10 1.51 -1.24 -3.35 117.35 117.77 3kz4 s TYR 284 Ca 0.00 -0.29 0.02 0.00 -1.01 0.00 0.00 57.07 55.79 3kz4 s TYR 284 Cb 0.00 -1.19 0.02 0.00 -0.11 0.00 0.00 41.96 40.68 3kz4 s TYR 284 CO 0.00 0.53 -0.08 0.96 -1.11 0.00 0.00 175.55 175.86 3kz4 s ILE 285 N -1.81 0.77 0.82 2.71 -4.36 -1.15 -4.96 121.20 113.21 3kz4 s ILE 285 Ca 0.24 -0.28 -0.07 0.00 -0.26 0.00 0.00 60.65 60.27 3kz4 s ILE 285 Cb -0.08 -0.73 0.18 0.00 1.25 0.00 0.00 42.46 43.08 3kz4 s ILE 285 CO 0.13 0.27 1.12 0.00 0.24 0.00 0.00 174.94 176.69 3kz4 n LEU 286 N 3.80 0.00 0.00 0.37 -0.00 -1.26 -2.58 117.00 117.32 3kz4 n LEU 286 Ca -0.23 -1.76 0.00 0.00 -0.00 0.00 0.00 56.01 54.01 3kz4 n LEU 286 Cb 0.52 -0.79 0.00 0.00 -0.00 0.00 0.00 43.42 43.15 3kz4 n LEU 286 CO 0.24 -1.18 0.00 -3.20 -0.00 0.00 0.00 177.39 173.26 3kz4 n ASN 287 N -3.33 0.00 -4.44 1.45 5.15 -1.26 -4.87 115.26 107.96 3kz4 n ASN 287 Ca 0.16 0.00 -0.26 0.00 -0.60 0.00 0.00 54.58 53.88 3kz4 n ASN 287 Cb 0.57 0.00 -0.11 0.00 -0.53 0.00 0.00 39.78 39.71 3kz4 n ASN 287 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kz4 s MET 288 N -0.25 1.58 0.00 1.20 0.00 -1.26 -1.54 119.30 119.03 3kz4 s MET 288 Ca 0.00 -1.59 0.23 0.00 0.00 0.00 0.00 55.69 54.33 3kz4 s MET 288 Cb 0.00 -1.83 0.43 0.00 0.00 0.00 0.00 34.83 33.42 3kz4 s MET 288 CO 0.00 0.38 1.40 -0.25 0.00 0.00 0.00 175.02 176.55 3kz4 n ASP 289 N -0.00 3.49 -3.82 -1.18 8.00 -1.26 -5.02 116.55 116.75 3kz4 n ASP 289 Ca -0.10 -2.00 -0.09 0.00 0.71 0.00 0.00 54.79 53.31 3kz4 n ASP 289 Cb 0.57 -0.25 -0.04 0.00 -0.02 0.00 0.00 41.12 41.38 3kz4 n ASP 289 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3kz4 s ARG 290 N -1.50 1.39 -0.26 -1.24 1.81 -1.26 -5.14 118.95 112.75 3kz4 s ARG 290 Ca 0.39 -0.98 0.01 0.00 -1.72 0.00 0.00 55.73 53.42 3kz4 s ARG 290 Cb 0.23 0.49 0.05 0.00 -0.45 0.00 0.00 34.95 35.27 3kz4 s ARG 290 CO 0.32 -0.58 -0.09 -0.80 -0.68 0.00 0.00 175.30 173.47 3kz4 s ASN 291 N -2.91 4.35 0.34 0.23 0.01 -1.26 -5.08 114.94 110.62 3kz4 s ASN 291 Ca 0.13 -1.17 -0.28 0.00 -0.71 0.00 0.00 52.86 50.82 3kz4 s ASN 291 Cb -0.01 -1.60 -0.12 0.00 0.41 0.00 0.00 41.25 39.94 3kz4 s ASN 291 CO 0.00 -0.17 1.38 0.18 -1.51 0.00 0.00 177.10 176.98 3kz4 n LEU 292 N 4.54 3.95 -4.88 0.60 4.77 -1.26 -5.01 117.00 119.71 3kz4 n LEU 292 Ca -0.15 1.21 -0.30 0.00 -0.03 0.00 0.00 56.01 56.74 3kz4 n LEU 292 Cb 0.44 -1.53 0.01 0.00 -2.33 0.00 0.00 43.42 40.01 3kz4 n LEU 292 CO 0.24 -0.24 0.63 -2.84 -1.33 0.00 0.00 177.39 173.85 3kz4 s PRO 293 N -1.74 3.54 0.03 3.23 0.02 -1.26 -4.91 135.00 133.91 3kz4 s PRO 293 Ca 0.56 0.55 0.07 0.00 0.02 0.00 0.00 61.00 62.20 3kz4 s PRO 293 Cb -0.54 -2.17 0.31 0.00 0.02 0.00 0.00 34.50 32.12 3kz4 s PRO 293 CO 0.61 -0.48 1.22 -1.13 -0.33 0.00 0.00 177.00 176.89 3kz4 n SER 294 N -2.61 0.07 -0.08 2.53 3.41 -1.26 -1.93 113.62 113.75 3kz4 n SER 294 Ca 0.04 0.53 0.14 0.00 -0.26 0.00 0.00 58.87 59.32 3kz4 n SER 294 Cb 0.55 -0.54 0.68 0.00 -0.26 0.00 0.00 64.21 64.64 3kz4 n SER 294 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3kz4 n THR 295 N -1.58 0.00 -1.49 6.66 -1.04 -1.26 -4.96 114.28 110.61 3kz4 n THR 295 Ca 0.01 -0.04 -0.32 0.00 -2.04 0.00 0.00 64.05 61.66 3kz4 n THR 295 Cb 0.06 -0.22 0.07 0.00 -1.82 0.00 0.00 70.33 68.42 3kz4 n THR 295 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kz4 s ALA 296 N -2.44 2.42 0.22 2.41 0.00 -0.81 -3.58 121.76 119.98 3kz4 s ALA 296 Ca 0.31 0.31 -0.16 0.00 0.00 0.00 0.00 51.96 52.41 3kz4 s ALA 296 Cb 0.20 -3.26 0.02 0.00 0.00 0.00 0.00 23.12 20.08 3kz4 s ALA 296 CO 0.46 -1.48 0.52 1.03 0.00 0.00 0.00 175.76 176.29 3kz4 s ARG 297 N -4.68 1.47 0.00 0.00 1.81 -1.06 -3.76 118.95 112.73 3kz4 s ARG 297 Ca 0.62 -1.00 0.00 0.00 -1.72 0.00 0.00 55.73 53.63 3kz4 s ARG 297 Cb -0.17 0.51 0.00 0.00 -0.45 0.00 0.00 34.95 34.84 3kz4 s ARG 297 CO 0.51 -0.62 0.01 2.48 -0.68 0.00 0.00 175.30 176.99 3kz4 n TYR 298 N -0.36 0.00 -2.20 -0.53 0.18 -0.52 -3.75 117.16 109.98 3kz4 n TYR 298 Ca -0.07 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.71 3kz4 n TYR 298 Cb 0.62 0.03 0.00 0.00 -0.38 0.00 0.00 39.34 39.60 3kz4 n TYR 298 CO 0.00 0.00 0.00 -0.89 -2.08 0.00 0.00 176.86 173.89 3kz4 n ILE 299 N 0.00-12.46 -3.08 -3.48 5.41 -1.26 -4.84 119.36 99.64 3kz4 n ILE 299 Ca 0.00 2.91 -0.44 0.00 1.00 0.00 0.00 62.75 66.23 3kz4 n ILE 299 Cb 0.26 -5.79 -0.06 0.00 -0.71 0.00 0.00 39.64 33.34 3kz4 n ILE 299 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 3kz4 s ARG 300 N -0.76 3.15 -0.48 0.38 3.52 -1.26 -4.97 118.95 118.52 3kz4 s ARG 300 Ca 0.00 -0.83 -0.27 0.00 -0.13 0.00 0.00 55.73 54.50 3kz4 s ARG 300 Cb 0.00 -4.12 -0.04 0.00 -1.56 0.00 0.00 34.95 29.23 3kz4 s ARG 300 CO 0.00 -1.33 2.07 -2.14 -0.81 0.00 0.00 175.30 173.09 3kz4 s PRO 301 N 2.93 2.62 0.40 5.12 0.02 -1.26 -4.91 135.00 139.92 3kz4 s PRO 301 Ca 0.18 1.17 -0.25 0.00 0.02 0.00 0.00 61.00 62.12 3kz4 s PRO 301 Cb -0.19 -4.42 -0.09 0.00 0.02 0.00 0.00 34.50 29.83 3kz4 s PRO 301 CO 0.12 -2.70 1.13 0.54 -0.33 0.00 0.00 177.00 175.76 3kz4 s ASN 302 N 9.17 6.62 -0.41 2.53 4.22 -1.26 -4.93 114.94 130.87 3kz4 s ASN 302 Ca 0.83 2.25 0.08 0.00 -2.14 0.00 0.00 52.86 53.88 3kz4 s ASN 302 Cb -0.18 -2.61 0.26 0.00 1.28 0.00 0.00 41.25 40.00 3kz4 s ASN 302 CO 0.26 -0.60 0.62 0.00 -2.04 0.00 0.00 177.10 175.34 3kz4 n LEU 303 N 0.07 -0.45 -4.85 3.54 -0.00 -1.26 -3.84 117.00 110.21 3kz4 n LEU 303 Ca 0.04 -4.42 -0.30 0.00 -0.00 0.00 0.00 56.01 51.34 3kz4 n LEU 303 Cb 0.47 0.69 0.06 0.00 -0.00 0.00 0.00 43.42 44.65 3kz4 n LEU 303 CO 0.49 2.07 0.73 -0.76 -0.00 0.00 0.00 177.39 179.92 3kz4 s LEU 304 N -1.19 2.82 1.17 1.47 1.43 -1.26 -5.04 118.68 118.07 3kz4 s LEU 304 Ca 0.34 1.25 -0.15 0.00 -1.03 0.00 0.00 54.13 54.55 3kz4 s LEU 304 Cb 0.20 -4.00 0.27 0.00 0.03 0.00 0.00 46.19 42.69 3kz4 s LEU 304 CO -0.13 -1.57 1.04 -1.10 0.23 0.00 0.00 176.35 174.81 3kz4 s GLN 305 N -5.25 -0.94 0.00 1.70 1.11 -1.26 -4.76 119.66 110.27 3kz4 s GLN 305 Ca 0.59 0.48 -0.15 0.00 0.01 0.00 0.00 55.36 56.28 3kz4 s GLN 305 Cb -0.13 -1.58 -0.19 0.00 -1.01 0.00 0.00 33.01 30.11 3kz4 s GLN 305 CO 0.53 -3.64 1.19 -0.25 0.01 0.00 0.00 175.29 173.13 3kz4 n ASP 306 N -4.80 0.41 0.00 5.90 8.00 -1.26 -4.62 116.55 120.18 3kz4 n ASP 306 Ca 0.06 -2.04 0.00 0.00 0.71 0.00 0.00 54.79 53.52 3kz4 n ASP 306 Cb 0.57 -0.43 0.00 0.00 -0.02 0.00 0.00 41.12 41.24 3kz4 n ASP 306 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3kz4 n ARG 307 N 6.20 0.00 -0.01 -1.24 1.74 -1.26 -0.41 116.66 121.68 3kz4 n ARG 307 Ca 0.23 0.00 0.01 0.00 -0.77 0.00 0.00 57.85 57.31 3kz4 n ARG 307 Cb 0.22 -1.40 0.01 0.00 -1.02 0.00 0.00 32.46 30.27 3kz4 n ARG 307 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3kz4 n LEU 308 N -0.60 2.03 -3.26 0.55 4.77 -1.26 -5.00 117.00 114.23 3kz4 n LEU 308 Ca 0.00 -2.05 -0.10 0.00 -0.03 0.00 0.00 56.01 53.83 3kz4 n LEU 308 Cb 0.00 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 3kz4 n LEU 308 CO 0.00 0.51 -0.07 0.59 -1.33 0.00 0.00 177.39 177.09 3kz4 n ASN 309 N -0.53 -1.38 -0.44 -1.43 5.03 0.45 -4.68 115.26 112.27 3kz4 n ASN 309 Ca 0.01 -0.34 0.00 0.00 0.87 0.00 0.00 54.58 55.12 3kz4 n ASN 309 Cb 0.27 -0.49 0.00 0.00 -1.02 0.00 0.00 39.78 38.54 3kz4 n ASN 309 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3kz4 n LEU 310 N -1.56 0.86 -0.00 3.41 4.32 -1.26 -3.10 117.00 119.67 3kz4 n LEU 310 Ca -0.08 -0.43 0.00 0.00 -0.02 0.00 0.00 56.01 55.49 3kz4 n LEU 310 Cb 0.20 -0.43 -0.00 0.00 -1.62 0.00 0.00 43.42 41.56 3kz4 n LEU 310 CO 0.21 0.22 -0.09 0.00 -1.22 0.00 0.00 177.39 176.51 3kz4 n HIS 311 N -0.05 0.00 -2.91 -1.77 1.44 -1.26 -4.33 115.22 106.34 3kz4 n HIS 311 Ca 0.00 0.00 -0.43 0.00 -2.01 0.00 0.00 57.72 55.28 3kz4 n HIS 311 Cb 0.22 -0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.29 3kz4 n HIS 311 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 3kz4 s ASP 312 N -1.23 6.23 0.00 4.39 -1.08 -1.18 -4.32 116.67 119.47 3kz4 s ASP 312 Ca 0.00 -1.20 0.00 0.00 -0.52 0.00 0.00 52.55 50.83 3kz4 s ASP 312 Cb 0.01 -2.39 0.00 0.00 -1.46 0.00 0.00 42.92 39.07 3kz4 s ASP 312 CO 0.03 -1.34 0.00 -3.20 0.52 0.00 0.00 175.17 171.18 3kz4 n ASN 313 N 7.32 0.00 0.00 -0.34 2.85 -1.26 -4.82 115.26 119.00 3kz4 n ASN 313 Ca -0.01 0.00 0.09 0.00 -0.11 0.00 0.00 54.58 54.55 3kz4 n ASN 313 Cb 0.45 0.00 0.54 0.00 1.24 0.00 0.00 39.78 42.02 3kz4 n ASN 313 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 3kz4 n PHE 314 N 0.00 0.00 0.00 1.20 3.01 -1.26 -4.65 117.46 115.76 3kz4 n PHE 314 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3kz4 n PHE 314 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 3kz4 n PHE 314 CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3kz4 n GLU 315 N -0.80 0.00 -0.21 -1.08 1.02 -1.26 0.30 120.64 118.61 3kz4 n GLU 315 Ca 0.14 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 57.31 3kz4 n GLU 315 Cb 0.06 0.00 0.08 0.00 -0.02 0.00 0.00 31.44 31.56 3kz4 n GLU 315 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3kz4 n SER 316 N -1.58 -0.21 0.10 1.62 7.64 -1.26 0.16 113.62 120.09 3kz4 n SER 316 Ca 0.00 1.00 -0.16 0.00 1.01 0.00 0.00 58.87 60.72 3kz4 n SER 316 Cb 0.00 -0.30 -0.14 0.00 -1.01 0.00 0.00 64.21 62.76 3kz4 n SER 316 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3kz4 h LEU 317 N 0.00 0.43 -0.24 -3.43 3.38 -0.49 -3.21 115.31 111.75 3kz4 h LEU 317 Ca 0.28 -0.47 0.04 0.00 0.09 0.00 0.00 57.88 57.82 3kz4 h LEU 317 Cb 0.42 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3kz4 h LEU 317 CO -0.60 1.37 0.02 -0.50 0.09 0.00 0.00 178.44 178.82 3kz4 h TRP 318 N 0.07 0.03 -0.71 1.13 4.06 -0.40 -0.39 115.95 119.75 3kz4 h TRP 318 Ca -0.14 0.02 0.16 0.00 2.06 0.00 0.00 58.89 60.98 3kz4 h TRP 318 Cb 1.98 0.02 -0.12 0.00 -1.00 0.00 0.00 29.16 30.04 3kz4 h TRP 318 CO 0.07 -0.01 0.03 0.22 -3.56 0.00 0.00 178.44 175.19 3kz4 h ASP 319 N 0.11 -0.27 -0.10 -3.49 1.82 -1.28 0.42 116.42 113.63 3kz4 h ASP 319 Ca 0.11 0.18 -0.04 0.00 -0.39 0.00 0.00 57.03 56.89 3kz4 h ASP 319 Cb 0.13 0.30 -0.01 0.00 0.68 0.00 0.00 39.33 40.42 3kz4 h ASP 319 CO -0.17 -0.14 -0.05 0.74 -1.61 0.00 0.00 179.24 178.01 3kz4 h THR 320 N 0.13 1.17 0.40 2.25 2.02 -1.14 -1.07 112.91 116.67 3kz4 h THR 320 Ca 0.39 -0.69 -0.02 0.00 0.77 0.00 0.00 66.41 66.86 3kz4 h THR 320 Cb 0.67 1.05 0.00 0.00 -1.74 0.00 0.00 68.15 68.14 3kz4 h THR 320 CO -0.60 0.23 -0.19 0.40 0.37 0.00 0.00 175.52 175.73 3kz4 h ILE 321 N 0.33 0.00 -0.66 3.11 2.04 0.11 -2.29 117.51 120.16 3kz4 h ILE 321 Ca 0.07 -0.37 0.06 0.00 1.00 0.00 0.00 64.86 65.62 3kz4 h ILE 321 Cb 0.30 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.30 3kz4 h ILE 321 CO 0.01 0.00 -0.46 0.74 0.00 0.00 0.00 178.15 178.45 3kz4 h THR 322 N -0.91 0.00 -0.14 -0.27 2.02 -0.45 0.47 112.91 113.63 3kz4 h THR 322 Ca -0.05 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.14 3kz4 h THR 322 Cb 0.41 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 3kz4 h THR 322 CO 0.09 0.00 -0.08 0.41 0.37 0.00 0.00 175.52 176.31 3kz4 n THR 323 N -4.77 -0.09 0.00 3.16 -1.04 -0.41 0.86 114.28 111.98 3kz4 n THR 323 Ca 0.00 1.33 0.00 0.00 -2.04 0.00 0.00 64.05 63.35 3kz4 n THR 323 Cb 0.22 -1.75 0.00 0.00 -1.82 0.00 0.00 70.33 66.98 3kz4 n THR 323 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 3kz4 n SER 324 N -3.18 0.00 -0.49 8.00 2.88 0.96 -0.44 113.62 121.34 3kz4 n SER 324 Ca 0.00 0.88 0.40 0.00 -1.33 0.00 0.00 58.87 58.82 3kz4 n SER 324 Cb 0.04 -0.38 0.69 0.00 -0.75 0.00 0.00 64.21 63.81 3kz4 n SER 324 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 3kz4 h ASN 325 N 0.00 0.18 0.49 -3.46 4.21 0.72 0.47 115.58 118.19 3kz4 h ASN 325 Ca 0.00 0.11 -0.02 0.00 1.21 0.00 0.00 56.30 57.59 3kz4 h ASN 325 Cb 0.00 0.10 0.00 0.00 -1.12 0.00 0.00 38.32 37.30 3kz4 h ASN 325 CO 0.00 -0.15 -0.24 0.22 -1.29 0.00 0.00 177.43 175.98 3kz4 h TYR 326 N 0.06 -0.61 -0.68 1.19 3.20 0.33 -1.92 116.97 118.53 3kz4 h TYR 326 Ca 0.84 -0.01 0.10 0.00 3.14 0.00 0.00 58.73 62.80 3kz4 h TYR 326 Cb 2.83 0.20 -0.08 0.00 1.54 0.00 0.00 36.73 41.22 3kz4 h TYR 326 CO -0.00 -0.28 0.30 0.82 -1.64 0.00 0.00 178.16 177.35 3kz4 h ILE 327 N -0.96 0.78 -0.69 1.81 2.04 0.47 0.13 117.51 121.09 3kz4 h ILE 327 Ca -0.07 -0.17 0.13 0.00 1.00 0.00 0.00 64.86 65.75 3kz4 h ILE 327 Cb 0.60 0.24 -0.13 0.00 -0.74 0.00 0.00 36.82 36.79 3kz4 h ILE 327 CO 0.11 0.09 -0.29 0.25 0.00 0.00 0.00 178.15 178.31 3kz4 h LEU 328 N 0.50 -1.04 0.29 1.44 5.85 -1.23 -1.19 115.31 119.93 3kz4 h LEU 328 Ca 0.35 0.24 0.00 0.00 0.84 0.00 0.00 57.88 59.31 3kz4 h LEU 328 Cb 0.42 0.56 -0.03 0.00 0.37 0.00 0.00 40.66 41.98 3kz4 h LEU 328 CO -0.31 -0.28 -0.36 0.00 -0.34 0.00 0.00 178.44 177.15 3kz4 h ALA 329 N 1.29 -0.73 -0.82 1.25 0.00 0.06 -2.29 119.26 118.01 3kz4 h ALA 329 Ca 0.29 -0.11 0.18 0.00 0.00 0.00 0.00 54.91 55.27 3kz4 h ALA 329 Cb 0.56 0.54 -0.11 0.00 0.00 0.00 0.00 17.79 18.77 3kz4 h ALA 329 CO -0.75 -0.95 0.33 0.00 0.00 0.00 0.00 179.25 177.88 3kz4 h ARG 330 N -0.70 0.41 0.00 0.00 3.08 -0.56 0.93 114.38 117.54 3kz4 h ARG 330 Ca -0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.01 3kz4 h ARG 330 Cb 0.65 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.61 3kz4 h ARG 330 CO -0.10 0.27 0.50 1.03 -1.07 0.00 0.00 179.97 180.59 3kz4 h SER 331 N 0.42 0.00 0.00 7.04 0.87 -0.64 -3.16 113.55 118.08 3kz4 h SER 331 Ca 0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.04 3kz4 h SER 331 Cb 0.81 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 3kz4 h SER 331 CO -0.47 0.00 0.00 0.52 -0.53 0.00 0.00 176.83 176.35 3kz4 n VAL 332 N -2.55 0.00 0.00 2.23 0.31 0.32 -4.96 118.33 113.67 3kz4 n VAL 332 Ca -0.01 0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.38 3kz4 n VAL 332 Cb 0.52 -1.04 0.00 0.00 -0.91 0.00 0.00 33.84 32.41 3kz4 n VAL 332 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3kz4 n VAL 333 N -1.61 0.00 -0.79 2.52 0.31 -0.80 -4.54 118.33 113.43 3kz4 n VAL 333 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 64.34 64.02 3kz4 n VAL 333 Cb 0.00 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 32.89 3kz4 n VAL 333 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3kz4 n PRO 334 N 0.00 0.00 -2.31 5.55 -0.02 -1.26 -4.83 135.00 132.13 3kz4 n PRO 334 Ca 0.00 0.00 -0.42 0.00 -2.02 0.00 0.00 63.50 61.06 3kz4 n PRO 334 Cb 0.00 -0.77 -0.03 0.00 -0.02 0.00 0.00 33.50 32.68 3kz4 n PRO 334 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3kz4 s ASP 335 N -0.04 6.93 1.09 2.55 1.01 -1.26 -4.90 116.67 122.05 3kz4 s ASP 335 Ca 0.47 2.03 -0.15 0.00 0.71 0.00 0.00 52.55 55.61 3kz4 s ASP 335 Cb -0.66 -2.56 0.21 0.00 1.01 0.00 0.00 42.92 40.92 3kz4 s ASP 335 CO 0.30 -0.65 0.45 0.18 0.21 0.00 0.00 175.17 175.66 3kz4 n LEU 336 N 5.09 -1.15 -3.85 1.23 4.77 -1.26 -5.01 117.00 116.82 3kz4 n LEU 336 Ca 0.12 -0.48 -0.12 0.00 -0.03 0.00 0.00 56.01 55.51 3kz4 n LEU 336 Cb 0.45 -0.82 -0.12 0.00 -2.33 0.00 0.00 43.42 40.60 3kz4 n LEU 336 CO 0.57 -3.51 -0.23 -0.54 -1.33 0.00 0.00 177.39 172.35 3kz4 s LYS 337 N -3.78 0.22 0.00 3.23 1.02 -1.26 -5.09 119.74 114.08 3kz4 s LYS 337 Ca 0.42 0.00 0.00 0.00 0.02 0.00 0.00 55.97 56.41 3kz4 s LYS 337 Cb -0.08 0.10 0.00 0.00 -0.52 0.00 0.00 37.83 37.33 3kz4 s LYS 337 CO 0.38 -0.04 0.00 -0.85 -0.92 0.00 0.00 175.35 173.92 3kz4 n GLU 338 N 2.62 0.00 -3.56 1.68 0.28 -1.26 -4.86 120.64 115.53 3kz4 n GLU 338 Ca -0.15 0.00 -0.09 0.00 -0.16 0.00 0.00 57.16 56.76 3kz4 n GLU 338 Cb 0.58 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 33.36 3kz4 n GLU 338 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3kz4 s LEU 339 N 0.00 -0.62 0.00 -1.84 1.43 -1.26 -4.72 118.68 111.66 3kz4 s LEU 339 Ca 0.00 0.74 0.00 0.00 -1.03 0.00 0.00 54.13 53.84 3kz4 s LEU 339 Cb 0.00 1.24 0.00 0.00 0.03 0.00 0.00 46.19 47.46 3kz4 s LEU 339 CO 0.00 -0.25 0.00 0.52 0.23 0.00 0.00 176.35 176.85 3kz4 n VAL 340 N 5.38 0.00 -1.60 -1.59 0.31 -1.26 -4.52 118.33 115.05 3kz4 n VAL 340 Ca -0.07 0.00 -0.58 0.00 -0.01 0.00 0.00 64.34 63.68 3kz4 n VAL 340 Cb 0.50 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.35 3kz4 n VAL 340 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3kz4 n SER 341 N 0.77 1.03 -0.01 4.52 3.41 -1.26 -4.78 113.62 117.30 3kz4 n SER 341 Ca 0.00 1.14 -0.00 0.00 -0.26 0.00 0.00 58.87 59.75 3kz4 n SER 341 Cb 0.00 -1.03 -0.00 0.00 -0.26 0.00 0.00 64.21 62.92 3kz4 n SER 341 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3kz4 n THR 342 N 2.65 -0.02 -0.14 6.66 -1.04 -1.26 -2.06 114.28 119.08 3kz4 n THR 342 Ca 0.22 0.96 -0.12 0.00 -2.04 0.00 0.00 64.05 63.07 3kz4 n THR 342 Cb 0.10 -1.27 -0.09 0.00 -1.82 0.00 0.00 70.33 67.24 3kz4 n THR 342 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3kz4 h GLU 343 N 0.00 -0.33 -0.77 -2.82 5.08 -1.99 -2.91 114.58 110.84 3kz4 h GLU 343 Ca 0.00 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.46 3kz4 h GLU 343 Cb 0.01 0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.24 3kz4 h GLU 343 CO -0.02 -0.22 -0.45 0.00 -1.00 0.00 0.00 179.01 177.32 3kz4 n ALA 344 N -3.05 -0.49 0.31 3.43 0.00 -0.87 -1.38 120.51 118.45 3kz4 n ALA 344 Ca -0.03 0.65 -0.18 0.00 0.00 0.00 0.00 53.44 53.89 3kz4 n ALA 344 Cb 0.30 -0.02 -0.09 0.00 0.00 0.00 0.00 19.45 19.64 3kz4 n ALA 344 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3kz4 h GLN 345 N 0.00 -0.95 -0.45 0.00 5.75 -1.49 -1.86 115.11 116.12 3kz4 h GLN 345 Ca 0.12 0.06 0.13 0.00 -0.15 0.00 0.00 58.65 58.82 3kz4 h GLN 345 Cb 0.32 0.22 -0.02 0.00 1.07 0.00 0.00 27.48 29.06 3kz4 h GLN 345 CO -0.72 -0.64 0.45 0.82 -2.65 0.00 0.00 178.83 176.09 3kz4 h ILE 346 N -0.99 0.41 -0.06 2.39 2.04 -1.27 0.56 117.51 120.60 3kz4 h ILE 346 Ca -0.06 0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.69 3kz4 h ILE 346 Cb 0.85 0.65 0.01 0.00 -0.74 0.00 0.00 36.82 37.58 3kz4 h ILE 346 CO -0.02 0.00 -0.38 -0.61 0.00 0.00 0.00 178.15 177.14 3kz4 h GLN 347 N 0.00 0.36 0.00 2.37 4.15 -0.41 -2.62 115.11 118.95 3kz4 h GLN 347 Ca 0.21 -0.31 -0.03 0.00 0.77 0.00 0.00 58.65 59.29 3kz4 h GLN 347 Cb 1.11 0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.87 3kz4 h GLN 347 CO -0.00 0.96 -0.14 1.57 -1.93 0.00 0.00 178.83 179.29 3kz4 h LYS 348 N -0.14 0.00 -0.14 1.69 5.09 -0.70 -2.54 116.57 119.83 3kz4 h LYS 348 Ca -0.03 0.00 0.04 0.00 0.09 0.00 0.00 60.65 60.74 3kz4 h LYS 348 Cb 1.05 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 33.34 3kz4 h LYS 348 CO 0.08 0.14 -0.09 1.98 -2.09 0.00 0.00 179.45 179.47 3kz4 h MET 349 N 0.00 -0.09 -0.56 0.07 4.05 -0.66 -1.08 114.93 116.67 3kz4 h MET 349 Ca -0.00 0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.39 3kz4 h MET 349 Cb 0.32 0.02 -0.03 0.00 -0.80 0.00 0.00 31.60 31.11 3kz4 h MET 349 CO 0.02 -0.06 0.20 1.03 0.23 0.00 0.00 176.91 178.33 3kz4 h SER 350 N -0.09 0.75 0.00 1.39 0.87 -1.10 -3.29 113.55 112.08 3kz4 h SER 350 Ca 0.08 -0.10 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 3kz4 h SER 350 Cb 0.21 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 61.98 3kz4 h SER 350 CO -0.19 0.69 0.00 0.00 -0.53 0.00 0.00 176.83 176.79 3kz4 n GLN 351 N -4.32 0.00 -0.42 2.24 6.02 -0.87 -2.64 117.38 117.39 3kz4 n GLN 351 Ca 0.04 0.17 0.33 0.00 -0.01 0.00 0.00 57.00 57.53 3kz4 n GLN 351 Cb 0.18 -1.17 0.51 0.00 1.02 0.00 0.00 30.24 30.78 3kz4 n GLN 351 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3kz4 n ASP 352 N -1.00 0.00 -0.02 1.08 9.92 -0.46 0.16 116.55 126.23 3kz4 n ASP 352 Ca 0.00 0.64 -0.04 0.00 -0.53 0.00 0.00 54.79 54.86 3kz4 n ASP 352 Cb 0.00 -0.31 -0.13 0.00 -0.64 0.00 0.00 41.12 40.05 3kz4 n ASP 352 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 3kz4 n LEU 353 N -3.17 0.60 -1.95 0.64 4.77 -1.22 -5.06 117.00 111.61 3kz4 n LEU 353 Ca 0.28 0.27 -0.02 0.00 -0.03 0.00 0.00 56.01 56.51 3kz4 n LEU 353 Cb 1.31 0.20 -0.01 0.00 -2.33 0.00 0.00 43.42 42.59 3kz4 n LEU 353 CO 0.28 0.30 -0.25 0.00 -1.33 0.00 0.00 177.39 176.38 3kz4 n GLN 354 N -2.86 -1.69 0.00 3.23 1.13 0.12 -4.99 117.38 112.32 3kz4 n GLN 354 Ca -0.17 1.60 0.00 0.00 -1.94 0.00 0.00 57.00 56.49 3kz4 n GLN 354 Cb 0.96 -2.67 0.00 0.00 0.11 0.00 0.00 30.24 28.64 3kz4 n GLN 354 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3kz4 n LEU 355 N 0.54 0.00 0.00 1.08 4.77 -1.26 -5.06 117.00 117.07 3kz4 n LEU 355 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 3kz4 n LEU 355 Cb 0.17 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3kz4 n LEU 355 CO 0.17 0.00 0.00 1.21 -1.33 0.00 0.00 177.39 177.44 3kz4 n GLU 356 N 0.00 0.00 -3.83 3.23 2.13 -1.26 -5.08 120.64 115.83 3kz4 n GLU 356 Ca 0.00 0.00 -0.25 0.00 0.66 0.00 0.00 57.16 57.57 3kz4 n GLU 356 Cb 0.00 0.00 -0.17 0.00 0.27 0.00 0.00 31.44 31.54 3kz4 n GLU 356 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3kz4 s ALA 357 N -1.00 0.99 0.00 4.31 0.00 -1.26 -4.86 121.76 119.95 3kz4 s ALA 357 Ca 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 51.96 51.62 3kz4 s ALA 357 Cb 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 23.12 22.28 3kz4 s ALA 357 CO 0.00 -0.47 0.00 1.28 0.00 0.00 0.00 175.76 176.57 3kz4 n LEU 358 N 5.05 0.00 -3.80 0.00 4.77 -1.26 -4.80 117.00 116.97 3kz4 n LEU 358 Ca -0.09 0.20 -0.30 0.00 -0.03 0.00 0.00 56.01 55.78 3kz4 n LEU 358 Cb 0.50 -0.57 -0.09 0.00 -2.33 0.00 0.00 43.42 40.93 3kz4 n LEU 358 CO 0.13 0.00 0.14 0.41 -1.33 0.00 0.00 177.39 176.75 3kz4 n THR 359 N -1.34 2.36 -3.28 -5.08 -1.04 -1.26 -5.08 114.28 99.54 3kz4 n THR 359 Ca 0.00 -5.10 -0.32 0.00 -2.04 0.00 0.00 64.05 56.60 3kz4 n THR 359 Cb 0.20 -2.19 -0.05 0.00 -1.82 0.00 0.00 70.33 66.47 3kz4 n THR 359 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3kz4 s ILE 360 N -1.86 4.86 0.06 12.58 1.01 -1.26 -4.50 121.20 132.08 3kz4 s ILE 360 Ca 0.31 0.58 0.00 0.00 0.00 0.00 0.00 60.65 61.54 3kz4 s ILE 360 Cb 0.02 -3.63 0.00 0.00 0.01 0.00 0.00 42.46 38.85 3kz4 s ILE 360 CO -0.10 -0.16 0.00 0.00 0.00 0.00 0.00 174.94 174.68 3kz4 n GLN 361 N -0.37 0.00 0.00 2.79 10.64 -1.26 -4.94 117.38 124.23 3kz4 n GLN 361 Ca 0.01 0.00 0.09 0.00 -1.83 0.00 0.00 57.00 55.28 3kz4 n GLN 361 Cb 0.53 0.00 0.02 0.00 -0.86 0.00 0.00 30.24 29.92 3kz4 n GLN 361 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 3kz4 n SER 362 N -2.64 1.97 0.30 2.61 3.41 -1.26 -4.67 113.62 113.35 3kz4 n SER 362 Ca 0.00 -1.49 0.09 0.00 -0.26 0.00 0.00 58.87 57.21 3kz4 n SER 362 Cb 0.00 0.37 0.46 0.00 -0.26 0.00 0.00 64.21 64.77 3kz4 n SER 362 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 3kz4 h GLU 363 N 2.45 0.00 -0.49 4.33 5.08 -1.93 -1.73 114.58 122.29 3kz4 h GLU 363 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3kz4 h GLU 363 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 3kz4 h GLU 363 CO 0.00 0.00 0.00 2.41 -1.00 0.00 0.00 179.01 180.42 3kz4 n THR 364 N -2.60 0.76 -0.68 1.13 -1.04 -1.26 -4.27 114.28 106.32 3kz4 n THR 364 Ca -0.01 -0.58 -0.05 0.00 -2.04 0.00 0.00 64.05 61.37 3kz4 n THR 364 Cb 0.59 0.10 0.26 0.00 -1.82 0.00 0.00 70.33 69.46 3kz4 n THR 364 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3kz4 n GLN 365 N 0.57 3.33 -1.22 -2.82 6.02 -0.65 -4.43 117.38 118.18 3kz4 n GLN 365 Ca 0.14 -2.56 -0.00 0.00 -0.01 0.00 0.00 57.00 54.56 3kz4 n GLN 365 Cb 0.44 -2.07 -0.01 0.00 1.02 0.00 0.00 30.24 29.61 3kz4 n GLN 365 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3kz4 n PHE 366 N -0.05 0.00 -0.40 1.08 3.01 -1.26 -4.48 117.46 115.37 3kz4 n PHE 366 Ca 0.34 -0.44 -0.03 0.00 1.01 0.00 0.00 57.45 58.33 3kz4 n PHE 366 Cb 1.22 0.10 0.22 0.00 -0.01 0.00 0.00 39.48 41.01 3kz4 n PHE 366 CO 0.00 0.00 0.00 1.28 1.01 0.00 0.00 176.76 179.05 3kz4 n LEU 367 N 0.27 4.77 -0.01 4.37 4.77 -1.26 -3.41 117.00 126.50 3kz4 n LEU 367 Ca -0.06 -2.46 0.06 0.00 -0.03 0.00 0.00 56.01 53.51 3kz4 n LEU 367 Cb 0.94 -0.67 -0.06 0.00 -2.33 0.00 0.00 43.42 41.29 3kz4 n LEU 367 CO -0.07 0.65 -0.02 0.41 -1.33 0.00 0.00 177.39 177.03 3kz4 n THR 368 N 0.05 0.00 0.00 -5.08 -1.04 -1.26 -4.82 114.28 102.12 3kz4 n THR 368 Ca 0.27 -0.22 0.00 0.00 -2.04 0.00 0.00 64.05 62.06 3kz4 n THR 368 Cb 1.06 1.01 0.00 0.00 -1.82 0.00 0.00 70.33 70.57 3kz4 n THR 368 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3kz4 n GLY 369 N 1.27 -1.84 0.00 3.41 0.00 -1.22 -4.36 105.19 102.45 3kz4 n GLY 369 Ca 0.02 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3kz4 n GLY 369 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3kz4 n ILE 370 N -0.16 0.00 0.00 -0.61 5.41 -1.26 -4.67 119.36 118.07 3kz4 n ILE 370 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 3kz4 n ILE 370 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 38.93 3kz4 n ILE 370 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 3kz4 n ASN 371 N 0.00 3.63 0.00 4.38 0.23 -1.26 -2.96 115.26 119.28 3kz4 n ASN 371 Ca 0.00 -0.00 0.00 0.00 -0.53 0.00 0.00 54.58 54.05 3kz4 n ASN 371 Cb 0.00 0.73 0.00 0.00 -2.08 0.00 0.00 39.78 38.43 3kz4 n ASN 371 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 3kz4 n SER 372 N -1.09 0.00 0.02 0.53 7.64 -1.26 -1.07 113.62 118.39 3kz4 n SER 372 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3kz4 n SER 372 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3kz4 n SER 372 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 3kz4 n GLN 373 N -0.74 0.00 -0.07 1.43 -0.06 -1.26 -4.88 117.38 111.80 3kz4 n GLN 373 Ca 0.00 0.00 -0.10 0.00 -2.00 0.00 0.00 57.00 54.90 3kz4 n GLN 373 Cb 0.00 -0.03 -0.03 0.00 -4.06 0.00 0.00 30.24 26.12 3kz4 n GLN 373 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3kz4 h ALA 374 N 0.00 0.31 -0.44 1.69 0.00 -1.14 -1.53 119.26 118.16 3kz4 h ALA 374 Ca 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3kz4 h ALA 374 Cb 0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3kz4 h ALA 374 CO 0.00 -0.16 0.27 0.00 0.00 0.00 0.00 179.25 179.35 3kz4 h ALA 375 N 1.03 0.57 -0.61 0.00 0.00 -1.36 0.68 119.26 119.56 3kz4 h ALA 375 Ca 0.09 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3kz4 h ALA 375 Cb 0.05 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3kz4 h ALA 375 CO -0.01 0.06 0.26 -0.97 0.00 0.00 0.00 179.25 178.58 3kz4 h ASN 376 N 0.59 0.83 0.43 0.00 -1.24 -1.62 0.22 115.58 114.80 3kz4 h ASN 376 Ca 0.16 -0.16 -0.02 0.00 0.71 0.00 0.00 56.30 56.99 3kz4 h ASN 376 Cb 0.00 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 38.84 3kz4 h ASN 376 CO -0.03 0.77 -0.21 -0.78 -1.29 0.00 0.00 177.43 175.89 3kz4 h ASP 377 N 0.85 -0.49 -0.94 1.15 1.82 -0.82 -1.02 116.42 116.96 3kz4 h ASP 377 Ca 0.21 -0.10 0.17 0.00 -0.39 0.00 0.00 57.03 56.92 3kz4 h ASP 377 Cb 0.19 0.13 -0.10 0.00 0.68 0.00 0.00 39.33 40.22 3kz4 h ASP 377 CO -0.02 -0.16 0.53 0.00 -1.61 0.00 0.00 179.24 177.98 3kz4 h PHE 379 N 0.70 -0.19 0.00 0.00 3.57 -0.44 -1.87 116.94 118.71 3kz4 h PHE 379 Ca 0.53 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 62.02 3kz4 h PHE 379 Cb 0.79 0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.59 3kz4 h PHE 379 CO -0.05 -0.12 0.00 1.63 -2.23 0.00 0.00 178.31 177.54 3kz4 n LYS 380 N -2.66 0.00 -0.19 1.11 5.02 -0.40 -1.45 118.16 119.58 3kz4 n LYS 380 Ca -0.03 0.80 0.02 0.00 -2.02 0.00 0.00 58.31 57.08 3kz4 n LYS 380 Cb 0.08 -1.39 0.05 0.00 -0.02 0.00 0.00 35.03 33.75 3kz4 n LYS 380 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 3kz4 n THR 381 N -2.40 -0.24 -0.00 -0.18 -1.04 0.71 0.29 114.28 111.40 3kz4 n THR 381 Ca 0.00 1.21 -0.10 0.00 -2.04 0.00 0.00 64.05 63.12 3kz4 n THR 381 Cb 0.00 -1.65 -0.04 0.00 -1.82 0.00 0.00 70.33 66.82 3kz4 n THR 381 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3kz4 h LEU 382 N 0.00 -0.15 0.00 -4.42 4.07 -0.37 -2.07 115.31 112.37 3kz4 h LEU 382 Ca 0.22 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.22 3kz4 h LEU 382 Cb 0.35 0.09 0.00 0.00 1.08 0.00 0.00 40.66 42.18 3kz4 h LEU 382 CO -0.53 -0.06 0.00 -0.38 -1.08 0.00 0.00 178.44 176.39 3kz4 n ILE 383 N -5.17 0.00 -0.30 1.22 2.08 0.14 -2.48 119.36 114.85 3kz4 n ILE 383 Ca -0.04 1.48 -0.01 0.00 0.56 0.00 0.00 62.75 64.74 3kz4 n ILE 383 Cb 0.10 -2.43 0.03 0.00 -0.75 0.00 0.00 39.64 36.59 3kz4 n ILE 383 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3kz4 n ALA 384 N -2.05 -0.10 -0.33 -1.39 0.00 -1.09 0.17 120.51 115.73 3kz4 n ALA 384 Ca 0.00 0.78 -0.09 0.00 0.00 0.00 0.00 53.44 54.14 3kz4 n ALA 384 Cb 0.00 -0.35 -0.08 0.00 0.00 0.00 0.00 19.45 19.02 3kz4 n ALA 384 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kz4 n ALA 385 N -3.59 -0.50 0.14 0.00 0.00 -0.78 -0.13 120.51 115.66 3kz4 n ALA 385 Ca 0.08 0.67 -0.14 0.00 0.00 0.00 0.00 53.44 54.05 3kz4 n ALA 385 Cb 0.32 -0.06 -0.08 0.00 0.00 0.00 0.00 19.45 19.62 3kz4 n ALA 385 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3kz4 h MET 386 N 0.00 -0.66 0.00 0.00 2.07 0.20 1.22 114.93 117.76 3kz4 h MET 386 Ca 0.13 0.04 0.00 0.00 -2.07 0.00 0.00 59.70 57.80 3kz4 h MET 386 Cb 0.32 0.15 0.00 0.00 -1.87 0.00 0.00 31.60 30.20 3kz4 h MET 386 CO -0.74 -0.44 0.00 1.28 1.07 0.00 0.00 176.91 178.08 3kz4 n LEU 387 N -4.89 0.00 -0.24 1.22 4.77 0.05 -0.58 117.00 117.33 3kz4 n LEU 387 Ca -0.08 0.74 0.28 0.00 -0.03 0.00 0.00 56.01 56.92 3kz4 n LEU 387 Cb 0.35 -0.24 0.67 0.00 -2.33 0.00 0.00 43.42 41.87 3kz4 n LEU 387 CO 0.16 -0.24 1.26 0.77 -1.33 0.00 0.00 177.39 178.01 3kz4 h SER 388 N 0.00 0.12 -4.20 -1.43 4.64 -0.60 -3.45 113.55 108.63 3kz4 h SER 388 Ca 0.00 0.02 -0.12 0.00 -0.47 0.00 0.00 61.79 61.22 3kz4 h SER 388 Cb 0.00 -0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.18 3kz4 h SER 388 CO 0.00 0.04 -0.41 0.00 -0.87 0.00 0.00 176.83 175.59 3kz4 n GLN 389 N -4.34 -1.09 -4.02 4.77 -0.00 0.38 -4.80 117.38 108.28 3kz4 n GLN 389 Ca 0.21 0.45 -0.22 0.00 -0.00 0.00 0.00 57.00 57.44 3kz4 n GLN 389 Cb 0.98 -3.64 -0.03 0.00 -0.00 0.00 0.00 30.24 27.55 3kz4 n GLN 389 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.06 177.56 3kz4 s ARG 390 N -3.66 3.25 -0.17 2.61 6.06 0.13 -4.78 118.95 122.38 3kz4 s ARG 390 Ca 0.22 -0.83 -0.03 0.00 -2.50 0.00 0.00 55.73 52.59 3kz4 s ARG 390 Cb -0.03 -2.79 -0.02 0.00 0.06 0.00 0.00 34.95 32.18 3kz4 s ARG 390 CO 0.36 0.44 -0.07 0.99 -2.50 0.00 0.00 175.30 174.52 3kz4 s THR 391 N -1.98 3.41 0.37 4.11 2.01 -1.26 -4.69 115.64 117.61 3kz4 s THR 391 Ca 0.33 -0.51 0.07 0.00 0.31 0.00 0.00 61.69 61.90 3kz4 s THR 391 Cb -0.09 -2.50 -0.01 0.00 0.01 0.00 0.00 72.50 69.91 3kz4 s THR 391 CO 0.27 0.47 0.40 0.00 -0.69 0.00 0.00 174.62 175.08 3kz4 s MET 392 N 0.81 2.78 0.08 4.92 0.23 -1.25 -3.00 119.30 123.87 3kz4 s MET 392 Ca -0.02 -1.29 0.01 0.00 -1.03 0.00 0.00 55.69 53.36 3kz4 s MET 392 Cb -0.15 -2.58 0.01 0.00 -1.53 0.00 0.00 34.83 30.59 3kz4 s MET 392 CO 0.01 -0.06 0.09 0.45 -2.03 0.00 0.00 175.02 173.49 3kz4 n SER 393 N -1.57 0.76 -3.45 -1.18 2.88 -0.24 -3.10 113.62 107.72 3kz4 n SER 393 Ca 0.02 -1.25 -0.13 0.00 -1.33 0.00 0.00 58.87 56.18 3kz4 n SER 393 Cb 0.60 -0.03 -0.10 0.00 -0.75 0.00 0.00 64.21 63.92 3kz4 n SER 393 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 3kz4 s LEU 394 N 0.00 -0.40 -0.45 2.46 1.43 -1.26 -3.53 118.68 116.93 3kz4 s LEU 394 Ca 0.07 0.13 -0.14 0.00 -1.03 0.00 0.00 54.13 53.16 3kz4 s LEU 394 Cb -0.01 0.80 0.07 0.00 0.03 0.00 0.00 46.19 47.09 3kz4 s LEU 394 CO 0.04 -0.30 0.35 -1.81 0.23 0.00 0.00 176.35 174.86 3kz4 s ASP 395 N 2.45 5.99 0.00 2.29 1.01 -1.07 -5.00 116.67 122.34 3kz4 s ASP 395 Ca 0.09 -1.35 0.00 0.00 0.71 0.00 0.00 52.55 52.00 3kz4 s ASP 395 Cb -0.15 -2.12 0.00 0.00 1.01 0.00 0.00 42.92 41.66 3kz4 s ASP 395 CO -0.13 -0.60 0.00 2.22 0.21 0.00 0.00 175.17 176.86 3kz4 n PHE 396 N 5.12 0.00 -4.34 4.23 1.16 -1.26 -2.73 117.46 119.64 3kz4 n PHE 396 Ca -0.12 0.00 -0.21 0.00 -1.87 0.00 0.00 57.45 55.26 3kz4 n PHE 396 Cb 0.44 0.00 -0.08 0.00 -1.61 0.00 0.00 39.48 38.22 3kz4 n PHE 396 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 3kz4 s VAL 397 N -0.32 0.17 -0.51 1.97 1.01 -1.26 -5.06 120.40 116.41 3kz4 s VAL 397 Ca 0.00 -2.00 0.08 0.00 0.00 0.00 0.00 61.98 60.06 3kz4 s VAL 397 Cb 0.00 -2.46 -0.06 0.00 0.00 0.00 0.00 36.38 33.87 3kz4 s VAL 397 CO 0.00 0.00 0.42 0.41 0.00 0.00 0.00 175.10 175.93 3kz4 n THR 398 N -0.67 0.00 -0.03 3.92 -1.04 -1.26 -4.43 114.28 110.77 3kz4 n THR 398 Ca 0.03 -0.35 0.11 0.00 -2.04 0.00 0.00 64.05 61.81 3kz4 n THR 398 Cb 0.63 1.03 0.26 0.00 -1.82 0.00 0.00 70.33 70.43 3kz4 n THR 398 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3kz4 n THR 399 N -0.89 0.75 -2.26 12.58 -2.24 -1.26 -4.51 114.28 116.46 3kz4 n THR 399 Ca 0.02 -0.87 -0.33 0.00 -2.27 0.00 0.00 64.05 60.60 3kz4 n THR 399 Cb 0.14 0.75 0.02 0.00 -2.10 0.00 0.00 70.33 69.13 3kz4 n THR 399 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3kz4 n ASN 400 N 1.50 6.01 -0.27 3.42 2.85 -1.26 -4.62 115.26 122.88 3kz4 n ASN 400 Ca 0.21 -3.77 0.05 0.00 -0.11 0.00 0.00 54.58 50.96 3kz4 n ASN 400 Cb 0.60 -0.75 0.12 0.00 1.24 0.00 0.00 39.78 40.99 3kz4 n ASN 400 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 3kz4 n TYR 401 N -0.49 0.29 -0.10 1.20 4.02 -1.26 0.07 117.16 120.89 3kz4 n TYR 401 Ca 0.45 0.93 -0.09 0.00 -0.01 0.00 0.00 57.90 59.19 3kz4 n TYR 401 Cb 0.45 -0.95 -0.07 0.00 -0.02 0.00 0.00 39.34 38.75 3kz4 n TYR 401 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 176.86 177.83 3kz4 h MET 402 N 0.00 -0.24 -1.78 -0.72 4.05 -1.95 1.02 114.93 115.30 3kz4 h MET 402 Ca 0.37 0.02 0.52 0.00 -0.28 0.00 0.00 59.70 60.33 3kz4 h MET 402 Cb 0.59 0.05 -0.07 0.00 -0.80 0.00 0.00 31.60 31.37 3kz4 h MET 402 CO -0.78 -0.16 1.38 0.77 0.23 0.00 0.00 176.91 178.35 3kz4 h SER 403 N -0.25 0.00 0.05 1.39 0.02 -0.69 0.69 113.55 114.76 3kz4 h SER 403 Ca 0.05 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3kz4 h SER 403 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 3kz4 h SER 403 CO -0.41 0.00 -0.02 -0.07 -1.14 0.00 0.00 176.83 175.19 3kz4 h LEU 404 N 0.00 -0.06 -0.44 5.07 4.07 0.11 -3.11 115.31 120.95 3kz4 h LEU 404 Ca 0.85 -0.58 0.04 0.00 0.08 0.00 0.00 57.88 58.27 3kz4 h LEU 404 Cb 3.60 0.01 -0.05 0.00 1.08 0.00 0.00 40.66 45.30 3kz4 h LEU 404 CO -0.01 0.68 -0.26 -0.38 -1.08 0.00 0.00 178.44 177.39 3kz4 n ILE 405 N -4.76 -0.30 -0.37 1.22 5.41 0.24 0.22 119.36 121.02 3kz4 n ILE 405 Ca -0.07 1.74 0.31 0.00 1.00 0.00 0.00 62.75 65.73 3kz4 n ILE 405 Cb 0.31 -2.21 0.63 0.00 -0.71 0.00 0.00 39.64 37.65 3kz4 n ILE 405 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 3kz4 h SER 406 N 0.00 0.25 -0.57 4.38 4.64 -1.59 0.69 113.55 121.36 3kz4 h SER 406 Ca 0.07 0.07 0.11 0.00 -0.47 0.00 0.00 61.79 61.57 3kz4 h SER 406 Cb 0.18 0.04 -0.09 0.00 -0.31 0.00 0.00 62.40 62.22 3kz4 h SER 406 CO -0.41 -0.01 0.04 1.23 -0.87 0.00 0.00 176.83 176.80 3kz4 h GLY 407 N 0.19 0.63 0.43 -0.77 0.00 0.28 0.99 103.07 104.83 3kz4 h GLY 407 Ca 0.66 0.05 0.20 0.00 0.00 0.00 0.00 47.33 48.24 3kz4 h GLY 407 CO -0.24 -0.16 0.56 -0.33 0.00 0.00 0.00 176.54 176.38 3kz4 h MET 408 N 0.15 0.25 0.48 4.80 2.07 0.75 0.33 114.93 123.77 3kz4 h MET 408 Ca 0.30 -0.02 -0.02 0.00 -2.07 0.00 0.00 59.70 57.89 3kz4 h MET 408 Cb 0.46 -0.06 0.00 0.00 -1.87 0.00 0.00 31.60 30.13 3kz4 h MET 408 CO -0.45 0.17 -0.24 2.35 1.07 0.00 0.00 176.91 179.81 3kz4 h TRP 409 N 0.26 -0.61 -0.17 -0.22 -0.00 0.10 -2.33 115.95 112.99 3kz4 h TRP 409 Ca 0.41 -0.01 0.02 0.00 -0.00 0.00 0.00 58.89 59.30 3kz4 h TRP 409 Cb 1.22 0.20 -0.02 0.00 -0.00 0.00 0.00 29.16 30.56 3kz4 h TRP 409 CO -0.00 -0.38 -0.11 -0.07 -0.00 0.00 0.00 178.44 177.89 3kz4 h LEU 410 N -0.65 -0.39 -0.92 0.65 3.38 0.44 -2.37 115.31 115.45 3kz4 h LEU 410 Ca -0.07 0.06 0.25 0.00 0.09 0.00 0.00 57.88 58.22 3kz4 h LEU 410 Cb 0.50 0.17 -0.16 0.00 0.09 0.00 0.00 40.66 41.26 3kz4 h LEU 410 CO 0.10 -0.05 0.14 -0.07 0.09 0.00 0.00 178.44 178.65 3kz4 h LEU 411 N -0.01 -0.23 -1.27 1.67 3.38 -0.58 0.96 115.31 119.23 3kz4 h LEU 411 Ca 0.03 0.24 0.16 0.00 0.09 0.00 0.00 57.88 58.40 3kz4 h LEU 411 Cb 0.08 0.37 -0.08 0.00 0.09 0.00 0.00 40.66 41.12 3kz4 h LEU 411 CO -0.16 -0.26 0.59 0.74 0.09 0.00 0.00 178.44 179.43 3kz4 h THR 412 N 0.09 0.78 0.00 0.22 2.02 -0.87 -3.37 112.91 111.79 3kz4 h THR 412 Ca 0.57 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.53 3kz4 h THR 412 Cb 1.19 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 3kz4 h THR 412 CO -0.78 0.12 0.00 0.52 0.37 0.00 0.00 175.52 175.75 3kz4 n VAL 413 N -4.59 0.00 -1.73 3.16 0.31 0.33 -4.84 118.33 110.97 3kz4 n VAL 413 Ca 0.19 0.00 -0.66 0.00 -0.01 0.00 0.00 64.34 63.86 3kz4 n VAL 413 Cb 0.53 -0.17 -0.10 0.00 -0.91 0.00 0.00 33.84 33.19 3kz4 n VAL 413 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3kz4 n VAL 414 N 0.00 0.05 0.00 2.52 0.31 -1.06 -4.67 118.33 115.48 3kz4 n VAL 414 Ca 0.00 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.32 3kz4 n VAL 414 Cb 0.00 -0.63 0.00 0.00 -0.91 0.00 0.00 33.84 32.30 3kz4 n VAL 414 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 3kz4 n PRO 415 N 4.37 0.00 0.00 5.55 -0.02 -1.26 -4.73 135.00 138.91 3kz4 n PRO 415 Ca 0.31 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 3kz4 n PRO 415 Cb -0.03 -0.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.67 3kz4 n PRO 415 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3kz4 n ASN 416 N 0.42 0.00 0.05 2.55 3.02 -1.26 -4.28 115.26 115.76 3kz4 n ASN 416 Ca 0.00 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.57 3kz4 n ASN 416 Cb 0.00 0.00 0.13 0.00 -0.61 0.00 0.00 39.78 39.30 3kz4 n ASN 416 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3kz4 n ASP 417 N 0.26 0.12 0.05 6.41 8.00 -1.26 0.45 116.55 130.58 3kz4 n ASP 417 Ca 0.00 0.44 0.13 0.00 0.71 0.00 0.00 54.79 56.07 3kz4 n ASP 417 Cb 0.00 -0.43 0.50 0.00 -0.02 0.00 0.00 41.12 41.17 3kz4 n ASP 417 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 3kz4 n MET 418 N -1.58 0.13 -4.16 -1.24 2.81 -1.26 -4.79 117.12 107.03 3kz4 n MET 418 Ca -0.00 0.12 -0.22 0.00 -1.81 0.00 0.00 57.70 55.79 3kz4 n MET 418 Cb 0.17 -1.66 -0.06 0.00 -0.71 0.00 0.00 33.22 30.96 3kz4 n MET 418 CO 0.00 0.00 0.00 -0.06 1.51 0.00 0.00 175.97 177.42 3kz4 s PHE 419 N -3.06 2.88 1.19 2.03 0.40 0.17 -3.83 117.98 117.76 3kz4 s PHE 419 Ca 0.12 -0.20 -0.15 0.00 -0.60 0.00 0.00 56.93 56.10 3kz4 s PHE 419 Cb 0.15 -1.38 0.29 0.00 0.51 0.00 0.00 43.02 42.59 3kz4 s PHE 419 CO 0.55 0.51 1.03 0.96 0.70 0.00 0.00 175.22 178.97 3kz4 s ILE 420 N -2.26 1.87 -0.10 0.64 -4.36 -1.18 -4.89 121.20 110.92 3kz4 s ILE 420 Ca 0.33 0.00 -0.15 0.00 -0.26 0.00 0.00 60.65 60.57 3kz4 s ILE 420 Cb -0.06 -2.16 -0.12 0.00 1.25 0.00 0.00 42.46 41.36 3kz4 s ILE 420 CO 0.23 0.00 0.49 -0.09 0.24 0.00 0.00 174.94 175.81 3kz4 h ARG 421 N -2.65 -0.08 0.00 0.37 9.65 -1.94 -3.15 114.38 116.58 3kz4 h ARG 421 Ca -0.58 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.31 3kz4 h ARG 421 Cb 1.34 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.93 3kz4 h ARG 421 CO 0.48 0.35 0.00 -0.85 2.80 0.00 0.00 179.97 182.75 3kz4 n GLU 422 N -4.78 0.00 -0.08 0.20 0.28 -1.26 -1.88 120.64 113.12 3kz4 n GLU 422 Ca -0.05 0.01 -0.12 0.00 -0.16 0.00 0.00 57.16 56.83 3kz4 n GLU 422 Cb 0.23 -1.50 -0.07 0.00 1.43 0.00 0.00 31.44 31.52 3kz4 n GLU 422 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 3kz4 n SER 423 N -0.94 2.59 -0.09 -1.84 2.88 -1.22 -3.99 113.62 111.02 3kz4 n SER 423 Ca 0.00 -0.06 -0.04 0.00 -1.33 0.00 0.00 58.87 57.44 3kz4 n SER 423 Cb 0.00 -0.28 0.18 0.00 -0.75 0.00 0.00 64.21 63.36 3kz4 n SER 423 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 3kz4 h LEU 424 N -0.06 0.71 0.20 2.46 5.85 -1.33 -2.15 115.31 120.99 3kz4 h LEU 424 Ca -0.37 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.17 3kz4 h LEU 424 Cb 1.55 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.38 3kz4 h LEU 424 CO -0.08 0.79 -0.26 0.58 -0.34 0.00 0.00 178.44 179.13 3kz4 h VAL 425 N 0.68 0.00 0.00 1.05 2.07 -1.61 -1.56 116.25 116.88 3kz4 h VAL 425 Ca 0.13 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.65 3kz4 h VAL 425 Cb 0.46 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 3kz4 h VAL 425 CO 0.02 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.61 3kz4 n ALA 426 N -2.58 -0.09 -0.03 1.67 0.00 -1.15 -2.26 120.51 116.07 3kz4 n ALA 426 Ca -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.38 3kz4 n ALA 426 Cb 0.23 0.33 -0.01 0.00 0.00 0.00 0.00 19.45 20.01 3kz4 n ALA 426 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kz4 h GLN 428 N 0.00 -0.58 -0.98 0.00 3.07 -1.19 -0.62 115.11 114.82 3kz4 h GLN 428 Ca 0.01 0.04 0.19 0.00 0.09 0.00 0.00 58.65 58.98 3kz4 h GLN 428 Cb 0.03 0.13 -0.09 0.00 0.08 0.00 0.00 27.48 27.63 3kz4 h GLN 428 CO -0.07 -0.38 0.61 1.25 0.09 0.00 0.00 178.83 180.33 3kz4 h LEU 429 N -0.60 0.69 -1.11 0.06 5.85 -0.97 0.62 115.31 119.85 3kz4 h LEU 429 Ca 0.04 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.83 3kz4 h LEU 429 Cb 0.69 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 3kz4 h LEU 429 CO -0.40 0.26 0.49 0.00 -0.34 0.00 0.00 178.44 178.45 3kz4 h ALA 430 N 1.63 1.33 0.17 1.25 0.00 0.35 0.18 119.26 124.16 3kz4 h ALA 430 Ca 0.55 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.36 3kz4 h ALA 430 Cb 0.97 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3kz4 h ALA 430 CO -0.32 0.58 -0.08 0.82 0.00 0.00 0.00 179.25 180.25 3kz4 h ILE 431 N 1.12 0.00 -1.00 0.00 2.04 0.13 -2.44 117.51 117.36 3kz4 h ILE 431 Ca 0.29 -0.13 0.30 0.00 1.00 0.00 0.00 64.86 66.33 3kz4 h ILE 431 Cb -0.05 0.00 -0.18 0.00 -0.74 0.00 0.00 36.82 35.85 3kz4 h ILE 431 CO -0.06 0.00 0.13 0.58 0.00 0.00 0.00 178.15 178.81 3kz4 h VAL 432 N -0.35 0.01 0.10 1.67 2.07 -0.25 0.27 116.25 119.77 3kz4 h VAL 432 Ca -0.02 -0.00 -0.29 0.00 0.82 0.00 0.00 66.70 67.21 3kz4 h VAL 432 Cb 0.17 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.94 3kz4 h VAL 432 CO 0.04 0.00 -1.42 -1.13 0.02 0.00 0.00 177.57 175.08 3kz4 h ASN 433 N 0.00 0.34 -0.00 0.57 -1.24 -0.74 -3.24 115.58 111.28 3kz4 h ASN 433 Ca 0.66 -0.44 0.00 0.00 0.71 0.00 0.00 56.30 57.23 3kz4 h ASN 433 Cb 1.46 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 40.40 3kz4 h ASN 433 CO -0.90 1.36 -0.03 0.41 -1.29 0.00 0.00 177.43 176.98 3kz4 n THR 434 N -3.44 0.00 -0.02 -3.57 -1.04 -0.92 -4.54 114.28 100.75 3kz4 n THR 434 Ca -0.13 -0.49 -0.03 0.00 -2.04 0.00 0.00 64.05 61.36 3kz4 n THR 434 Cb 1.03 1.08 -0.02 0.00 -1.82 0.00 0.00 70.33 70.60 3kz4 n THR 434 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 3kz4 n ILE 435 N 0.05 0.24 -0.05 12.58 5.41 0.91 -4.80 119.36 133.70 3kz4 n ILE 435 Ca 0.02 -0.09 -0.02 0.00 1.00 0.00 0.00 62.75 63.67 3kz4 n ILE 435 Cb 0.11 -0.74 -0.12 0.00 -0.71 0.00 0.00 39.64 38.18 3kz4 n ILE 435 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 3kz4 n ILE 436 N -2.68 0.64 -0.06 1.39 -6.64 -1.13 -4.70 119.36 106.18 3kz4 n ILE 436 Ca -0.08 -0.53 -0.04 0.00 -1.77 0.00 0.00 62.75 60.34 3kz4 n ILE 436 Cb 0.58 -0.33 -0.03 0.00 -1.44 0.00 0.00 39.64 38.42 3kz4 n ILE 436 CO 0.00 0.00 0.00 1.88 -1.77 0.00 0.00 176.55 176.66 3kz4 h TYR 437 N 0.00 0.00 0.00 4.28 -1.99 -1.83 -3.31 116.97 114.11 3kz4 h TYR 437 Ca -0.25 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.48 3kz4 h TYR 437 Cb 1.47 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.20 3kz4 h TYR 437 CO 0.00 0.23 0.00 -0.35 -0.00 0.00 0.00 178.16 178.04 3kz4 n PRO 438 N -4.71 0.00 0.00 4.88 -0.04 -1.26 0.03 135.00 133.90 3kz4 n PRO 438 Ca -0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.42 3kz4 n PRO 438 Cb 0.15 -0.91 0.00 0.00 -0.04 0.00 0.00 33.50 32.70 3kz4 n PRO 438 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kz4 n ALA 439 N -0.07 0.11 -1.98 0.55 0.00 -1.26 -4.53 120.51 113.32 3kz4 n ALA 439 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.19 3kz4 n ALA 439 Cb 0.00 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.47 3kz4 n ALA 439 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3kz4 n PHE 440 N 0.00 2.80 -2.00 0.00 7.35 0.10 -3.17 117.46 122.55 3kz4 n PHE 440 Ca 0.00 -2.30 -0.09 0.00 -0.76 0.00 0.00 57.45 54.30 3kz4 n PHE 440 Cb 0.27 -0.42 -0.02 0.00 0.35 0.00 0.00 39.48 39.67 3kz4 n PHE 440 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3kz4 n GLY 441 N -0.72 -0.12 0.31 7.13 0.00 -1.18 -4.62 105.19 105.98 3kz4 n GLY 441 Ca 0.45 0.01 0.05 0.00 0.00 0.00 0.00 46.02 46.54 3kz4 n GLY 441 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3kz4 n MET 442 N -1.29 1.25 0.00 1.61 0.00 -1.13 -4.91 117.12 112.65 3kz4 n MET 442 Ca 0.02 -0.85 0.00 0.00 0.00 0.00 0.00 57.70 56.87 3kz4 n MET 442 Cb 0.13 -1.13 0.00 0.00 0.00 0.00 0.00 33.22 32.22 3kz4 n MET 442 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3kz4 n GLN 443 N 0.16 0.00 0.00 2.12 10.64 -1.25 -4.50 117.38 124.55 3kz4 n GLN 443 Ca 0.05 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.22 3kz4 n GLN 443 Cb 0.23 -0.06 0.00 0.00 -0.86 0.00 0.00 30.24 29.55 3kz4 n GLN 443 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 3kz4 n ARG 444 N 0.00 0.00 -3.93 2.61 1.74 -1.26 -4.12 116.66 111.70 3kz4 n ARG 444 Ca 0.00 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.77 3kz4 n ARG 444 Cb 0.00 0.00 -0.15 0.00 -1.02 0.00 0.00 32.46 31.29 3kz4 n ARG 444 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3kz4 s MET 445 N 0.00 1.29 0.00 5.56 0.23 -1.26 -4.95 119.30 120.16 3kz4 s MET 445 Ca 0.00 -1.54 0.00 0.00 -1.03 0.00 0.00 55.69 53.12 3kz4 s MET 445 Cb 0.00 -2.78 0.00 0.00 -1.53 0.00 0.00 34.83 30.52 3kz4 s MET 445 CO 0.00 -0.91 0.00 0.72 -2.03 0.00 0.00 175.02 172.80 3kz4 n HIS 446 N 4.47 0.00 -1.71 3.16 8.25 -1.26 -4.66 115.22 123.47 3kz4 n HIS 446 Ca 0.00 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.45 3kz4 n HIS 446 Cb 0.42 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.53 3kz4 n HIS 446 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 3kz4 n TYR 447 N 0.27 -2.06 -3.72 4.41 9.36 -1.26 -4.73 117.16 119.43 3kz4 n TYR 447 Ca 0.00 1.22 -0.37 0.00 3.32 0.00 0.00 57.90 62.07 3kz4 n TYR 447 Cb 0.00 -2.73 -0.07 0.00 -0.63 0.00 0.00 39.34 35.91 3kz4 n TYR 447 CO 0.00 0.00 0.00 0.50 0.22 0.00 0.00 176.86 177.58 3kz4 s ARG 448 N -1.24 3.85 0.12 2.98 3.52 -1.26 -5.02 118.95 121.90 3kz4 s ARG 448 Ca -0.04 -0.03 0.05 0.00 -0.13 0.00 0.00 55.73 55.58 3kz4 s ARG 448 Cb 0.00 -3.29 -0.04 0.00 -1.56 0.00 0.00 34.95 30.06 3kz4 s ARG 448 CO 0.11 0.55 -0.11 1.21 -0.81 0.00 0.00 175.30 176.24 3kz4 s ASN 449 N -0.42 1.72 -0.03 -2.12 3.84 -1.26 -5.09 114.94 111.59 3kz4 s ASN 449 Ca 0.15 -0.89 0.18 0.00 0.21 0.00 0.00 52.86 52.52 3kz4 s ASN 449 Cb -0.13 -0.02 0.33 0.00 -0.55 0.00 0.00 41.25 40.89 3kz4 s ASN 449 CO 0.04 -0.26 1.14 0.61 -2.79 0.00 0.00 177.10 175.84 3kz4 n GLY 450 N 0.26 1.51 6.36 1.21 0.00 -1.26 -5.15 105.19 108.12 3kz4 n GLY 450 Ca -0.14 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.15 3kz4 n GLY 450 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3kz4 n ASP 451 N 0.14 0.00 0.00 1.61 8.00 -1.26 -5.05 116.55 119.99 3kz4 n ASP 451 Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.57 3kz4 n ASP 451 Cb 0.98 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.08 3kz4 n ASP 451 CO 0.00 0.00 0.00 -2.65 -0.39 0.00 0.00 177.20 174.16 3kz4 n PRO 452 N 0.00 0.00 0.00 -0.24 -0.02 -1.26 -4.87 135.00 128.61 3kz4 n PRO 452 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3kz4 n PRO 452 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3kz4 n PRO 452 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3kz4 n GLN 453 N 0.03 0.00 -3.86 -0.52 10.64 -1.26 -4.93 117.38 117.48 3kz4 n GLN 453 Ca 0.00 0.00 -0.33 0.00 -1.83 0.00 0.00 57.00 54.84 3kz4 n GLN 453 Cb 0.00 0.00 -0.12 0.00 -0.86 0.00 0.00 30.24 29.26 3kz4 n GLN 453 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 3kz4 s THR 454 N 0.00 3.00 0.26 -0.39 2.01 -1.26 -4.97 115.64 114.30 3kz4 s THR 454 Ca 0.00 -3.09 0.15 0.00 0.31 0.00 0.00 61.69 59.06 3kz4 s THR 454 Cb 0.00 -3.04 0.15 0.00 0.01 0.00 0.00 72.50 69.63 3kz4 s THR 454 CO 0.00 -0.81 1.39 -0.65 -0.69 0.00 0.00 174.62 173.86 3kz4 h PRO 455 N 6.81 0.00 0.00 4.92 0.11 -1.91 -0.54 132.00 141.38 3kz4 h PRO 455 Ca -0.05 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.06 3kz4 h PRO 455 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3kz4 h PRO 455 CO 0.69 0.00 -0.17 0.35 -0.21 0.00 0.00 178.00 178.66 3kz4 h PHE 456 N 0.00 0.00 0.00 0.65 3.57 -1.93 -3.39 116.94 115.84 3kz4 h PHE 456 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3kz4 h PHE 456 Cb 0.80 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.54 3kz4 h PHE 456 CO 0.00 0.00 0.00 0.94 -2.23 0.00 0.00 178.31 177.02 3kz4 n GLN 457 N -3.79 0.00 -0.36 1.11 7.27 -0.29 0.43 117.38 121.75 3kz4 n GLN 457 Ca -0.02 0.41 0.30 0.00 0.07 0.00 0.00 57.00 57.75 3kz4 n GLN 457 Cb 0.09 -0.65 0.46 0.00 2.41 0.00 0.00 30.24 32.54 3kz4 n GLN 457 CO 0.00 0.00 0.00 1.51 0.07 0.00 0.00 177.06 178.64 3kz4 n ILE 458 N -1.89 0.00 0.23 1.69 3.06 -0.71 0.32 119.36 122.05 3kz4 n ILE 458 Ca 0.00 0.92 0.08 0.00 -2.50 0.00 0.00 62.75 61.25 3kz4 n ILE 458 Cb 0.00 -1.57 0.56 0.00 0.54 0.00 0.00 39.64 39.17 3kz4 n ILE 458 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3kz4 h ALA 459 N 0.55 1.36 0.47 1.51 0.00 -0.21 -2.99 119.26 119.95 3kz4 h ALA 459 Ca 0.52 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.22 3kz4 h ALA 459 Cb 2.29 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 20.05 3kz4 h ALA 459 CO -0.01 0.27 -0.23 1.49 0.00 0.00 0.00 179.25 180.77 3kz4 h GLU 460 N 0.00 -0.61 -0.13 0.00 4.81 0.49 -2.19 114.58 116.95 3kz4 h GLU 460 Ca -0.00 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3kz4 h GLU 460 Cb 0.46 0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.98 3kz4 h GLU 460 CO 0.03 -0.41 0.00 0.00 -0.73 0.00 0.00 179.01 177.90 3kz4 n GLN 461 N -3.71 0.45 0.00 1.92 10.64 -1.21 -4.38 117.38 121.10 3kz4 n GLN 461 Ca -0.08 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.09 3kz4 n GLN 461 Cb 0.25 -1.06 0.00 0.00 -0.86 0.00 0.00 30.24 28.57 3kz4 n GLN 461 CO 0.00 0.00 0.00 1.04 -1.83 0.00 0.00 177.06 176.27 3kz4 n GLN 462 N -0.28 0.00 -1.30 2.61 1.13 -0.82 -5.05 117.38 113.67 3kz4 n GLN 462 Ca 0.00 0.00 -0.29 0.00 -1.94 0.00 0.00 57.00 54.77 3kz4 n GLN 462 Cb 0.03 0.00 0.14 0.00 0.11 0.00 0.00 30.24 30.52 3kz4 n GLN 462 CO 0.00 0.00 0.00 0.96 -1.44 0.00 0.00 177.06 176.58 3kz4 s ILE 463 N 0.85 2.56 0.04 5.09 -4.36 -1.24 -5.07 121.20 119.07 3kz4 s ILE 463 Ca 0.00 0.18 0.07 0.00 -0.26 0.00 0.00 60.65 60.65 3kz4 s ILE 463 Cb 0.00 -2.74 -0.03 0.00 1.25 0.00 0.00 42.46 40.93 3kz4 s ILE 463 CO 0.00 -0.24 -0.20 -1.10 0.24 0.00 0.00 174.94 173.65 3kz4 s GLN 464 N -5.02 2.02 0.00 0.37 -1.52 -1.26 -4.94 119.66 109.31 3kz4 s GLN 464 Ca 0.63 -1.01 0.00 0.00 -1.95 0.00 0.00 55.36 53.04 3kz4 s GLN 464 Cb -0.17 -2.15 0.00 0.00 -0.22 0.00 0.00 33.01 30.47 3kz4 s GLN 464 CO 0.56 0.53 0.00 -1.71 -0.25 0.00 0.00 175.29 174.43 3kz4 n ASN 465 N 1.61 0.00 0.15 5.90 2.85 -1.26 -5.01 115.26 119.49 3kz4 n ASN 465 Ca -0.16 0.00 -0.10 0.00 -0.11 0.00 0.00 54.58 54.21 3kz4 n ASN 465 Cb 0.52 0.00 -0.06 0.00 1.24 0.00 0.00 39.78 41.48 3kz4 n ASN 465 CO 0.00 0.00 0.00 -0.26 -2.11 0.00 0.00 177.26 174.89 3kz4 h PHE 466 N 0.00 -0.42 -0.53 1.20 -1.00 -1.97 0.65 116.94 114.87 3kz4 h PHE 466 Ca 0.00 -0.01 0.05 0.00 2.81 0.00 0.00 57.97 60.82 3kz4 h PHE 466 Cb 0.00 0.14 -0.08 0.00 3.61 0.00 0.00 35.95 39.62 3kz4 h PHE 466 CO 0.00 -0.12 -0.49 1.96 -1.61 0.00 0.00 178.31 178.05 3kz4 h GLN 467 N -1.01 -0.21 -0.68 1.51 1.08 -1.96 0.31 115.11 114.14 3kz4 h GLN 467 Ca -0.05 0.01 0.15 0.00 -1.45 0.00 0.00 58.65 57.32 3kz4 h GLN 467 Cb 0.48 0.05 -0.11 0.00 -0.05 0.00 0.00 27.48 27.85 3kz4 h GLN 467 CO 0.08 -0.14 0.08 0.28 -0.95 0.00 0.00 178.83 178.17 3kz4 h VAL 468 N -0.22 0.48 -0.46 -0.54 2.07 -1.84 -2.55 116.25 113.19 3kz4 h VAL 468 Ca 0.09 -0.06 0.03 0.00 0.82 0.00 0.00 66.70 67.58 3kz4 h VAL 468 Cb 0.45 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.49 3kz4 h VAL 468 CO -0.62 0.03 0.31 0.00 0.02 0.00 0.00 177.57 177.31 3kz4 h ALA 469 N 1.60 1.80 -0.18 1.67 0.00 0.20 -2.92 119.26 121.42 3kz4 h ALA 469 Ca 0.37 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 55.05 3kz4 h ALA 469 Cb 0.63 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.28 3kz4 h ALA 469 CO -0.54 0.15 -0.73 -0.91 0.00 0.00 0.00 179.25 177.23 3kz4 h ASN 470 N 0.51 0.93 -0.33 0.00 2.35 -0.67 -3.18 115.58 115.19 3kz4 h ASN 470 Ca 0.18 -0.58 0.06 0.00 -0.55 0.00 0.00 56.30 55.41 3kz4 h ASN 470 Cb 0.11 -0.27 -0.08 0.00 0.05 0.00 0.00 38.32 38.12 3kz4 h ASN 470 CO -0.05 1.38 -0.42 -0.25 -1.65 0.00 0.00 177.43 176.44 3kz4 h TRP 471 N 0.56 -1.23 -0.40 1.19 7.01 -1.53 -0.38 115.95 121.17 3kz4 h TRP 471 Ca -0.04 0.06 0.08 0.00 2.11 0.00 0.00 58.89 61.11 3kz4 h TRP 471 Cb 1.35 0.58 -0.09 0.00 -2.10 0.00 0.00 29.16 28.90 3kz4 h TRP 471 CO 0.08 -0.45 -0.24 -0.07 -2.79 0.00 0.00 178.44 174.97 3kz4 h LEU 472 N -0.37 -0.81 -0.41 0.65 3.38 -1.55 0.26 115.31 116.46 3kz4 h LEU 472 Ca 0.12 0.17 -0.07 0.00 0.09 0.00 0.00 57.88 58.19 3kz4 h LEU 472 Cb 0.59 0.41 -0.01 0.00 0.09 0.00 0.00 40.66 41.74 3kz4 h LEU 472 CO -0.52 -0.26 -0.00 0.45 0.09 0.00 0.00 178.44 178.19 3kz4 h HIS 473 N -0.17 0.80 -0.83 1.13 3.86 -1.39 0.17 115.15 118.71 3kz4 h HIS 473 Ca 0.19 -0.14 -0.04 0.00 -1.16 0.00 0.00 60.37 59.22 3kz4 h HIS 473 Cb 0.47 -0.21 -0.04 0.00 1.06 0.00 0.00 27.41 28.70 3kz4 h HIS 473 CO -0.47 0.80 0.37 0.35 0.86 0.00 0.00 177.93 179.84 3kz4 h PHE 474 N 0.56 1.23 0.00 2.45 3.57 -0.55 -2.32 116.94 121.88 3kz4 h PHE 474 Ca 0.12 -0.08 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 3kz4 h PHE 474 Cb 0.49 -0.37 0.00 0.00 2.79 0.00 0.00 35.95 38.85 3kz4 h PHE 474 CO 0.04 0.91 -0.00 0.28 -2.23 0.00 0.00 178.31 177.30 3kz4 h VAL 475 N 1.20 1.72 0.00 1.41 2.07 -0.40 -3.06 116.25 119.18 3kz4 h VAL 475 Ca 0.28 -2.11 0.00 0.00 0.82 0.00 0.00 66.70 65.69 3kz4 h VAL 475 Cb 0.17 3.15 0.00 0.00 -1.52 0.00 0.00 31.29 33.09 3kz4 h VAL 475 CO -0.03 0.55 0.00 -3.20 0.02 0.00 0.00 177.57 174.91 3kz4 n ASN 476 N -4.66 0.00 -0.25 0.57 5.15 0.58 -2.48 115.26 114.17 3kz4 n ASN 476 Ca -0.10 0.95 0.00 0.00 -0.60 0.00 0.00 54.58 54.83 3kz4 n ASN 476 Cb 0.43 -0.45 0.00 0.00 -0.53 0.00 0.00 39.78 39.24 3kz4 n ASN 476 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3kz4 n ASN 477 N -2.14 0.41 -4.66 1.20 4.13 -0.88 -4.79 115.26 108.53 3kz4 n ASN 477 Ca 0.00 -1.60 -0.42 0.00 1.68 0.00 0.00 54.58 54.24 3kz4 n ASN 477 Cb 0.00 -0.20 -0.03 0.00 -1.54 0.00 0.00 39.78 38.01 3kz4 n ASN 477 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 3kz4 s ASN 478 N -0.69 7.03 0.00 6.41 2.47 -1.03 -5.01 114.94 124.12 3kz4 s ASN 478 Ca 0.00 1.28 0.00 0.00 0.42 0.00 0.00 52.86 54.56 3kz4 s ASN 478 Cb 0.00 -2.50 0.00 0.00 -1.45 0.00 0.00 41.25 37.30 3kz4 s ASN 478 CO 0.00 -0.55 0.00 0.00 -3.72 0.00 0.00 177.10 172.83 3kz4 n GLN 479 N 5.84 1.49 -3.61 0.43 6.02 -1.26 -4.57 117.38 121.73 3kz4 n GLN 479 Ca 0.08 0.00 -0.30 0.00 -0.01 0.00 0.00 57.00 56.77 3kz4 n GLN 479 Cb 0.47 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.69 3kz4 n GLN 479 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3kz4 s PHE 480 N -0.67 3.47 -0.37 1.08 0.40 -1.26 -4.35 117.98 116.28 3kz4 s PHE 480 Ca 0.00 0.55 -0.14 0.00 -0.60 0.00 0.00 56.93 56.75 3kz4 s PHE 480 Cb 0.00 -2.01 -0.00 0.00 0.51 0.00 0.00 43.02 41.52 3kz4 s PHE 480 CO 0.00 0.37 0.27 0.50 0.70 0.00 0.00 175.22 177.07 3kz4 s ARG 481 N -2.93 3.31 -0.56 0.44 3.52 0.23 -4.96 118.95 118.00 3kz4 s ARG 481 Ca 0.42 -0.76 -0.27 0.00 -0.13 0.00 0.00 55.73 54.98 3kz4 s ARG 481 Cb -0.12 -3.87 -0.00 0.00 -1.56 0.00 0.00 34.95 29.40 3kz4 s ARG 481 CO 0.26 -0.57 1.62 -0.65 -0.81 0.00 0.00 175.30 175.15 3kz4 s GLN 482 N 1.74 3.07 -0.10 5.12 -1.52 -1.26 -1.85 119.66 124.84 3kz4 s GLN 482 Ca 0.06 0.61 0.02 0.00 -1.95 0.00 0.00 55.36 54.10 3kz4 s GLN 482 Cb -0.18 -4.23 -0.01 0.00 -0.22 0.00 0.00 33.01 28.37 3kz4 s GLN 482 CO 0.11 -2.21 -0.17 0.08 -0.25 0.00 0.00 175.29 172.84 3kz4 s VAL 483 N 7.20 2.76 0.00 1.09 1.01 -0.93 -5.02 120.40 126.52 3kz4 s VAL 483 Ca 0.60 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.80 3kz4 s VAL 483 Cb -0.13 -2.11 0.00 0.00 0.00 0.00 0.00 36.38 34.14 3kz4 s VAL 483 CO 0.24 0.55 0.00 0.52 0.00 0.00 0.00 175.10 176.41 3kz4 n VAL 484 N 3.29 0.00 -0.24 2.92 0.31 -1.26 -1.55 118.33 121.80 3kz4 n VAL 484 Ca -0.18 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.07 3kz4 n VAL 484 Cb 0.53 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.46 3kz4 n VAL 484 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3kz4 n ILE 485 N 0.00 0.08 -2.69 2.52 5.41 -1.26 -3.76 119.36 119.65 3kz4 n ILE 485 Ca 0.00 -0.09 -0.04 0.00 1.00 0.00 0.00 62.75 63.62 3kz4 n ILE 485 Cb 0.00 0.00 0.12 0.00 -0.71 0.00 0.00 39.64 39.05 3kz4 n ILE 485 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3kz4 n ASP 486 N 0.45 -1.26 -0.23 4.38 8.00 -1.26 -4.79 116.55 121.85 3kz4 n ASP 486 Ca 0.02 -2.30 0.00 0.00 0.71 0.00 0.00 54.79 53.22 3kz4 n ASP 486 Cb 0.08 0.65 0.00 0.00 -0.02 0.00 0.00 41.12 41.83 3kz4 n ASP 486 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kz4 n GLY 487 N -1.12 0.91 0.00 0.44 0.00 -1.26 -4.67 105.19 99.49 3kz4 n GLY 487 Ca -0.10 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.36 3kz4 n GLY 487 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kz4 n VAL 488 N -2.35 0.00 -1.05 1.61 0.31 -1.26 -4.69 118.33 110.90 3kz4 n VAL 488 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 64.34 64.26 3kz4 n VAL 488 Cb 0.37 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.22 3kz4 n VAL 488 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 3kz4 n LEU 489 N 0.00 -1.58 0.03 7.52 4.77 -1.26 -4.69 117.00 121.79 3kz4 n LEU 489 Ca 0.00 -0.95 -0.16 0.00 -0.03 0.00 0.00 56.01 54.88 3kz4 n LEU 489 Cb 0.00 -0.50 -0.14 0.00 -2.33 0.00 0.00 43.42 40.45 3kz4 n LEU 489 CO 0.00 -1.35 -0.49 0.78 -1.33 0.00 0.00 177.39 175.00 3kz4 h ASN 490 N 8.58 0.30 -5.87 -1.43 2.35 -1.87 -3.46 115.58 114.18 3kz4 h ASN 490 Ca 0.01 -0.51 -0.37 0.00 -0.55 0.00 0.00 56.30 54.89 3kz4 h ASN 490 Cb 0.92 -0.10 0.12 0.00 0.05 0.00 0.00 38.32 39.31 3kz4 h ASN 490 CO 1.09 1.44 -0.83 1.67 -1.65 0.00 0.00 177.43 179.15 3kz4 n GLN 491 N -3.36 -4.52 -3.24 0.81 7.27 -1.25 -4.10 117.38 108.98 3kz4 n GLN 491 Ca -0.20 0.71 -0.30 0.00 0.07 0.00 0.00 57.00 57.28 3kz4 n GLN 491 Cb 1.04 -5.37 -0.04 0.00 2.41 0.00 0.00 30.24 28.28 3kz4 n GLN 491 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 3kz4 s VAL 492 N -3.51 4.92 -0.25 1.69 1.01 -0.59 -3.82 120.40 119.84 3kz4 s VAL 492 Ca 0.13 0.37 -0.07 0.00 0.00 0.00 0.00 61.98 62.42 3kz4 s VAL 492 Cb -0.03 -3.69 -0.02 0.00 0.00 0.00 0.00 36.38 32.65 3kz4 s VAL 492 CO 0.78 -0.28 0.05 -0.76 0.00 0.00 0.00 175.10 174.90 3kz4 s LEU 493 N -3.34 3.41 0.25 3.92 1.43 -1.26 -2.18 118.68 120.90 3kz4 s LEU 493 Ca 0.47 -0.32 0.09 0.00 -1.03 0.00 0.00 54.13 53.34 3kz4 s LEU 493 Cb -0.11 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 3kz4 s LEU 493 CO 0.27 -0.06 0.03 0.21 0.23 0.00 0.00 176.35 177.02 3kz4 s ASN 494 N 1.57 4.73 -0.11 2.29 2.47 -0.77 -4.95 114.94 120.17 3kz4 s ASN 494 Ca 0.06 -0.55 -0.20 0.00 0.42 0.00 0.00 52.86 52.59 3kz4 s ASN 494 Cb -0.15 -0.96 -0.04 0.00 -1.45 0.00 0.00 41.25 38.65 3kz4 s ASN 494 CO 0.02 0.01 0.56 -0.62 -3.72 0.00 0.00 177.10 173.35 3kz4 s ASP 495 N -3.59 6.78 -0.26 -4.21 -1.08 -1.26 -0.60 116.67 112.45 3kz4 s ASP 495 Ca 0.31 0.94 -0.13 0.00 -0.52 0.00 0.00 52.55 53.14 3kz4 s ASP 495 Cb -0.07 -2.33 -0.07 0.00 -1.46 0.00 0.00 42.92 38.99 3kz4 s ASP 495 CO 0.20 -0.05 0.85 -3.20 0.52 0.00 0.00 175.17 173.49 3kz4 n ASN 496 N 3.80 0.19 -0.11 -0.34 5.15 -1.26 -4.66 115.26 118.02 3kz4 n ASN 496 Ca -0.05 0.15 0.03 0.00 -0.60 0.00 0.00 54.58 54.12 3kz4 n ASN 496 Cb 0.51 -0.32 0.07 0.00 -0.53 0.00 0.00 39.78 39.51 3kz4 n ASN 496 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 3kz4 n ILE 497 N 2.46 -0.13 -0.23 -1.44 5.41 -1.26 0.75 119.36 124.91 3kz4 n ILE 497 Ca 0.21 0.72 -0.06 0.00 1.00 0.00 0.00 62.75 64.62 3kz4 n ILE 497 Cb -0.00 -1.02 -0.05 0.00 -0.71 0.00 0.00 39.64 37.85 3kz4 n ILE 497 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 3kz4 n ARG 498 N -4.38 -0.24 -0.24 0.38 5.12 -1.26 -1.84 116.66 114.20 3kz4 n ARG 498 Ca 0.06 1.19 -0.00 0.00 -1.93 0.00 0.00 57.85 57.18 3kz4 n ARG 498 Cb 0.20 -1.77 0.12 0.00 -1.16 0.00 0.00 32.46 29.86 3kz4 n ARG 498 CO 0.00 0.00 0.00 -0.97 -1.93 0.00 0.00 177.63 174.73 3kz4 h ASN 499 N 0.00 0.55 -0.76 0.55 -0.73 0.12 -3.25 115.58 112.06 3kz4 h ASN 499 Ca 0.09 0.04 -0.58 0.00 1.87 0.00 0.00 56.30 57.72 3kz4 h ASN 499 Cb 0.22 -0.06 -0.04 0.00 0.27 0.00 0.00 38.32 38.71 3kz4 h ASN 499 CO -0.51 0.34 1.57 0.61 -0.37 0.00 0.00 177.43 179.06 3kz4 n GLY 500 N -1.30 0.05 3.94 1.57 0.00 -0.77 -3.55 105.19 105.14 3kz4 n GLY 500 Ca 0.10 0.96 0.00 0.00 0.00 0.00 0.00 46.02 47.08 3kz4 n GLY 500 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 3kz4 n HIS 501 N 11.24 0.00 -0.90 1.61 -0.00 -1.26 -4.49 115.22 121.41 3kz4 n HIS 501 Ca 0.49 0.00 -0.24 0.00 0.46 0.00 0.00 57.72 58.44 3kz4 n HIS 501 Cb 0.21 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 30.04 3kz4 n HIS 501 CO 0.00 0.00 0.00 0.28 0.46 0.00 0.00 176.34 177.08 3kz4 n VAL 502 N 0.00 2.93 0.03 3.57 0.31 -1.22 -4.64 118.33 119.31 3kz4 n VAL 502 Ca 0.00 -1.69 0.00 0.00 -0.01 0.00 0.00 64.34 62.64 3kz4 n VAL 502 Cb 0.00 -2.21 0.00 0.00 -0.91 0.00 0.00 33.84 30.72 3kz4 n VAL 502 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3kz4 n ILE 503 N 3.62 0.91 0.00 2.52 5.41 -1.26 -4.37 119.36 126.19 3kz4 n ILE 503 Ca 0.51 -0.17 0.00 0.00 1.00 0.00 0.00 62.75 64.09 3kz4 n ILE 503 Cb 0.30 -1.09 0.00 0.00 -0.71 0.00 0.00 39.64 38.14 3kz4 n ILE 503 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 3kz4 n ASN 504 N 1.35 0.00 -0.03 4.38 3.02 -1.26 -0.01 115.26 122.71 3kz4 n ASN 504 Ca 0.00 0.05 -0.16 0.00 -0.03 0.00 0.00 54.58 54.45 3kz4 n ASN 504 Cb 0.28 -0.05 -0.13 0.00 -0.61 0.00 0.00 39.78 39.27 3kz4 n ASN 504 CO 0.00 0.00 0.00 0.06 -2.62 0.00 0.00 177.26 174.70 3kz4 h GLN 505 N 0.00 0.12 0.10 3.52 -0.00 -1.93 -1.89 115.11 115.03 3kz4 h GLN 505 Ca 0.00 -0.17 0.01 0.00 -0.00 0.00 0.00 58.65 58.49 3kz4 h GLN 505 Cb 0.01 0.05 -0.01 0.00 -0.00 0.00 0.00 27.48 27.53 3kz4 h GLN 505 CO 0.00 0.99 -0.12 1.25 -0.00 0.00 0.00 178.83 180.95 3kz4 h LEU 506 N -0.67 -0.32 -1.52 0.06 5.85 -0.81 1.50 115.31 119.41 3kz4 h LEU 506 Ca -0.04 0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.78 3kz4 h LEU 506 Cb 1.10 0.12 -0.04 0.00 0.37 0.00 0.00 40.66 42.21 3kz4 h LEU 506 CO 0.05 -0.18 0.40 0.24 -0.34 0.00 0.00 178.44 178.61 3kz4 h MET 507 N -0.25 0.58 0.13 1.25 2.86 -1.62 0.14 114.93 118.02 3kz4 h MET 507 Ca 0.01 -0.03 -0.29 0.00 -2.06 0.00 0.00 59.70 57.32 3kz4 h MET 507 Cb 0.25 -0.13 0.02 0.00 0.06 0.00 0.00 31.60 31.80 3kz4 h MET 507 CO -0.05 0.38 -1.25 1.49 1.06 0.00 0.00 176.91 178.55 3kz4 h GLU 508 N 0.59 0.52 -0.23 1.72 4.81 -0.47 -0.91 114.58 120.62 3kz4 h GLU 508 Ca 0.26 -0.74 0.05 0.00 -0.13 0.00 0.00 59.36 58.81 3kz4 h GLU 508 Cb 0.27 0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.89 3kz4 h GLU 508 CO -0.08 1.33 0.16 0.00 -0.73 0.00 0.00 179.01 179.69 3kz4 h ALA 509 N 0.38 2.14 0.01 2.92 0.00 0.39 -1.33 119.26 123.77 3kz4 h ALA 509 Ca -0.18 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 3kz4 h ALA 509 Cb 1.93 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.70 3kz4 h ALA 509 CO 0.23 -0.20 -0.49 1.25 0.00 0.00 0.00 179.25 180.05 3kz4 h LEU 510 N 0.06 0.02 -1.54 0.00 5.85 -0.73 -3.24 115.31 115.74 3kz4 h LEU 510 Ca 0.10 -0.83 0.21 0.00 0.84 0.00 0.00 57.88 58.21 3kz4 h LEU 510 Cb 0.34 -0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.30 3kz4 h LEU 510 CO -0.01 1.19 0.61 -0.03 -0.34 0.00 0.00 178.44 179.86 3kz4 h MET 511 N -0.97 0.36 0.00 1.25 4.05 -0.67 0.82 114.93 119.78 3kz4 h MET 511 Ca -0.13 -0.02 -0.09 0.00 -0.28 0.00 0.00 59.70 59.18 3kz4 h MET 511 Cb 1.14 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.84 3kz4 h MET 511 CO -0.07 0.24 -0.44 1.96 0.23 0.00 0.00 176.91 178.83 3kz4 h GLN 512 N 0.37 0.00 0.05 0.39 4.20 -1.38 -2.42 115.11 116.32 3kz4 h GLN 512 Ca 0.47 0.00 -0.23 0.00 0.06 0.00 0.00 58.65 58.96 3kz4 h GLN 512 Cb 1.24 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 29.01 3kz4 h GLN 512 CO -0.17 0.44 -1.03 -0.07 -0.67 0.00 0.00 178.83 177.32 3kz4 h LEU 513 N 0.00 0.29 -1.17 1.46 3.38 0.49 -3.12 115.31 116.64 3kz4 h LEU 513 Ca -0.00 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.67 3kz4 h LEU 513 Cb 0.82 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.48 3kz4 h LEU 513 CO 0.06 1.15 -0.09 0.28 0.09 0.00 0.00 178.44 179.93 3kz4 h SER 514 N 0.09 0.00 0.13 -0.43 0.02 -0.36 -3.32 113.55 109.68 3kz4 h SER 514 Ca -0.07 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.84 3kz4 h SER 514 Cb 1.73 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 64.26 3kz4 h SER 514 CO 0.16 0.09 -1.91 -2.11 -1.14 0.00 0.00 176.83 171.92 3kz4 n ARG 515 N -3.20 0.66 0.06 3.45 1.85 -0.95 -4.32 116.66 114.20 3kz4 n ARG 515 Ca 0.01 -0.13 0.12 0.00 -1.00 0.00 0.00 57.85 56.85 3kz4 n ARG 515 Cb 0.38 -1.56 0.21 0.00 -1.05 0.00 0.00 32.46 30.44 3kz4 n ARG 515 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3kz4 n GLN 516 N -2.37 0.27 -0.40 2.89 -0.00 -1.18 -4.10 117.38 112.48 3kz4 n GLN 516 Ca -0.07 0.10 -0.03 0.00 -0.00 0.00 0.00 57.00 57.00 3kz4 n GLN 516 Cb 0.63 -1.69 -0.04 0.00 -0.00 0.00 0.00 30.24 29.15 3kz4 n GLN 516 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3kz4 n GLN 517 N -2.09 0.80 0.00 2.61 10.64 -1.25 -3.95 117.38 124.14 3kz4 n GLN 517 Ca 0.04 -0.22 0.00 0.00 -1.83 0.00 0.00 57.00 54.99 3kz4 n GLN 517 Cb 0.43 -1.42 0.00 0.00 -0.86 0.00 0.00 30.24 28.39 3kz4 n GLN 517 CO 0.00 0.00 0.00 1.19 -1.83 0.00 0.00 177.06 176.42 3kz4 n PHE 518 N 2.07 0.00 -0.83 2.61 3.01 -1.26 -5.10 117.46 117.96 3kz4 n PHE 518 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.55 3kz4 n PHE 518 Cb 0.38 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.85 3kz4 n PHE 518 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 3kz4 n PRO 519 N -2.36 -0.28 -2.83 -1.08 -0.04 -1.25 -5.09 135.00 122.08 3kz4 n PRO 519 Ca 0.00 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.47 3kz4 n PRO 519 Cb 0.00 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.47 3kz4 n PRO 519 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3kz4 n THR 520 N -2.11 0.00 0.17 0.52 -2.24 -1.19 -4.42 114.28 105.01 3kz4 n THR 520 Ca 0.00 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 3kz4 n THR 520 Cb 0.00 0.29 0.00 0.00 -2.10 0.00 0.00 70.33 68.52 3kz4 n THR 520 CO 0.00 0.00 0.00 0.80 -0.57 0.00 0.00 175.07 175.30 3kz4 n MET 521 N -0.43 0.00 -1.66 -0.78 1.56 -1.26 -3.83 117.12 110.72 3kz4 n MET 521 Ca 0.02 0.00 -0.31 0.00 -0.27 0.00 0.00 57.70 57.13 3kz4 n MET 521 Cb 0.28 0.00 -0.04 0.00 2.15 0.00 0.00 33.22 35.61 3kz4 n MET 521 CO 0.00 0.00 0.00 -2.30 -0.73 0.00 0.00 175.97 172.94 3kz4 n PRO 522 N -3.34 3.13 0.00 2.12 -0.02 -1.26 -4.96 135.00 130.67 3kz4 n PRO 522 Ca 0.00 -2.73 0.00 0.00 -2.02 0.00 0.00 63.50 58.75 3kz4 n PRO 522 Cb 0.00 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.18 3kz4 n PRO 522 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3kz4 n VAL 523 N 1.12 0.00 0.00 -1.45 0.31 -1.26 -4.20 118.33 112.85 3kz4 n VAL 523 Ca 0.53 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.86 3kz4 n VAL 523 Cb 0.45 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.38 3kz4 n VAL 523 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3kz4 n ASP 524 N 0.08 0.00 0.00 4.52 -0.08 -1.26 -4.39 116.55 115.43 3kz4 n ASP 524 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 3kz4 n ASP 524 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 3kz4 n ASP 524 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3kz4 n TYR 525 N 0.00 0.00 -0.35 -0.67 9.36 -1.26 -3.74 117.16 120.50 3kz4 n TYR 525 Ca 0.00 0.00 0.02 0.00 3.32 0.00 0.00 57.90 61.24 3kz4 n TYR 525 Cb 0.00 0.00 0.16 0.00 -0.63 0.00 0.00 39.34 38.87 3kz4 n TYR 525 CO 0.00 0.00 0.00 1.57 0.22 0.00 0.00 176.86 178.65 3kz4 h LYS 526 N 0.00 1.10 -0.12 2.98 2.10 -1.86 -1.40 116.57 119.37 3kz4 h LYS 526 Ca 0.00 -0.07 0.02 0.00 -2.00 0.00 0.00 60.65 58.60 3kz4 h LYS 526 Cb 0.00 -0.25 -0.03 0.00 -0.90 0.00 0.00 32.23 31.05 3kz4 h LYS 526 CO 0.00 0.73 -0.20 -0.09 -2.00 0.00 0.00 179.45 177.89 3kz4 h ARG 527 N 1.13 -0.16 -0.96 0.07 2.43 -1.83 0.14 114.38 115.20 3kz4 h ARG 527 Ca 0.41 0.01 0.05 0.00 -0.81 0.00 0.00 59.98 59.64 3kz4 h ARG 527 Cb 0.14 0.04 -0.06 0.00 -0.42 0.00 0.00 29.97 29.66 3kz4 h ARG 527 CO -0.16 -0.11 0.63 0.77 -1.51 0.00 0.00 179.97 179.59 3kz4 h SER 528 N -0.17 1.02 0.66 -3.80 0.02 -1.84 -2.34 113.55 107.10 3kz4 h SER 528 Ca 0.02 -0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 3kz4 h SER 528 Cb 0.23 -0.23 0.01 0.00 0.14 0.00 0.00 62.40 62.55 3kz4 h SER 528 CO -0.20 0.68 -0.32 0.40 -1.14 0.00 0.00 176.83 176.26 3kz4 h ILE 529 N 1.17 0.00 -0.13 3.27 2.04 -0.71 -2.98 117.51 120.17 3kz4 h ILE 529 Ca 0.39 -0.24 -0.05 0.00 1.00 0.00 0.00 64.86 65.97 3kz4 h ILE 529 Cb 0.08 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.14 3kz4 h ILE 529 CO -0.13 0.00 -0.13 0.06 0.00 0.00 0.00 178.15 177.94 3kz4 h GLN 530 N -1.12 0.20 -0.91 2.37 3.07 -0.76 -2.21 115.11 115.76 3kz4 h GLN 530 Ca -0.09 -0.05 0.04 0.00 0.09 0.00 0.00 58.65 58.65 3kz4 h GLN 530 Cb 0.68 -0.03 -0.06 0.00 0.08 0.00 0.00 27.48 28.15 3kz4 h GLN 530 CO 0.15 0.34 0.58 0.00 0.09 0.00 0.00 178.83 179.99 3kz4 h ARG 531 N 0.20 1.07 -0.40 0.06 2.47 -1.47 -0.67 114.38 115.64 3kz4 h ARG 531 Ca 0.04 -0.06 -0.06 0.00 -1.26 0.00 0.00 59.98 58.63 3kz4 h ARG 531 Cb 0.36 -0.24 -0.01 0.00 -1.65 0.00 0.00 29.97 28.42 3kz4 h ARG 531 CO 0.02 0.71 0.01 0.78 0.56 0.00 0.00 179.97 182.05 3kz4 h GLY 532 N 1.10 0.75 0.35 0.04 0.00 -1.25 -2.94 103.07 101.12 3kz4 h GLY 532 Ca 0.37 -0.54 0.13 0.00 0.00 0.00 0.00 47.33 47.29 3kz4 h GLY 532 CO -0.14 0.50 0.48 -2.22 0.00 0.00 0.00 176.54 175.16 3kz4 h ILE 533 N 0.52 0.81 -0.32 2.60 2.04 -0.74 -0.31 117.51 122.11 3kz4 h ILE 533 Ca 0.11 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 3kz4 h ILE 533 Cb 0.46 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.55 3kz4 h ILE 533 CO 0.02 0.13 0.04 0.25 0.00 0.00 0.00 178.15 178.59 3kz4 h LEU 534 N 0.73 0.43 -1.26 1.44 5.85 -1.00 -1.35 115.31 120.16 3kz4 h LEU 534 Ca 0.45 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 59.10 3kz4 h LEU 534 Cb 0.54 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.46 3kz4 h LEU 534 CO -0.31 0.48 0.00 0.18 -0.34 0.00 0.00 178.44 178.44 3kz4 n LEU 535 N -4.32 0.57 0.05 2.25 4.77 -0.13 -0.70 117.00 119.49 3kz4 n LEU 535 Ca 0.01 0.74 -0.21 0.00 -0.03 0.00 0.00 56.01 56.52 3kz4 n LEU 535 Cb 0.21 -0.78 -0.15 0.00 -2.33 0.00 0.00 43.42 40.38 3kz4 n LEU 535 CO 0.38 -0.86 -0.60 -0.07 -1.33 0.00 0.00 177.39 174.90 3kz4 h LEU 536 N 0.00 0.51 0.91 2.23 -0.00 -1.27 -3.30 115.31 114.39 3kz4 h LEU 536 Ca 0.00 -0.87 -0.04 0.00 -0.00 0.00 0.00 57.88 56.97 3kz4 h LEU 536 Cb 0.08 -0.17 0.01 0.00 -0.00 0.00 0.00 40.66 40.58 3kz4 h LEU 536 CO 0.00 1.75 -0.44 0.28 -0.00 0.00 0.00 178.44 180.03 3kz4 h SER 537 N 0.09 -1.05 -0.43 -0.43 0.02 -0.71 0.35 113.55 111.39 3kz4 h SER 537 Ca -0.36 0.04 0.09 0.00 -0.84 0.00 0.00 61.79 60.72 3kz4 h SER 537 Cb 2.07 0.27 -0.09 0.00 0.14 0.00 0.00 62.40 64.80 3kz4 h SER 537 CO 0.15 -0.75 -0.15 0.78 -1.14 0.00 0.00 176.83 175.72 3kz4 h ASN 538 N -1.23 -0.53 0.34 3.07 2.35 -1.55 0.30 115.58 118.32 3kz4 h ASN 538 Ca -0.12 0.14 -0.01 0.00 -0.55 0.00 0.00 56.30 55.76 3kz4 h ASN 538 Cb 0.95 0.32 -0.00 0.00 0.05 0.00 0.00 38.32 39.63 3kz4 h ASN 538 CO 0.20 -0.19 -0.03 0.03 -1.65 0.00 0.00 177.43 175.80 3kz4 h ARG 539 N -0.06 0.00 -1.17 0.81 2.47 -1.62 -3.15 114.38 111.66 3kz4 h ARG 539 Ca 0.21 0.00 0.35 0.00 -1.26 0.00 0.00 59.98 59.28 3kz4 h ARG 539 Cb 0.38 0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 28.58 3kz4 h ARG 539 CO -0.47 0.03 0.75 1.25 0.56 0.00 0.00 179.97 182.09 3kz4 h LEU 540 N 0.00 0.34 -0.85 3.04 6.46 0.36 2.19 115.31 126.85 3kz4 h LEU 540 Ca -0.00 0.12 0.10 0.00 -0.12 0.00 0.00 57.88 57.97 3kz4 h LEU 540 Cb 0.21 0.08 -0.07 0.00 -0.73 0.00 0.00 40.66 40.14 3kz4 h LEU 540 CO 0.00 -0.06 0.50 1.23 -0.62 0.00 0.00 178.44 179.49 3kz4 h GLY 541 N 0.23 1.33 0.91 3.75 0.00 -1.68 -0.90 103.07 106.71 3kz4 h GLY 541 Ca 0.71 -0.33 -0.29 0.00 0.00 0.00 0.00 47.33 47.42 3kz4 h GLY 541 CO -0.37 0.14 -1.32 1.46 0.00 0.00 0.00 176.54 176.45 3kz4 h GLN 542 N 0.83 0.40 -0.99 4.80 7.50 0.30 -3.30 115.11 124.65 3kz4 h GLN 542 Ca 0.41 -0.68 0.21 0.00 0.50 0.00 0.00 58.65 59.09 3kz4 h GLN 542 Cb 0.36 0.25 -0.10 0.00 0.05 0.00 0.00 27.48 28.05 3kz4 h GLN 542 CO -0.24 1.33 0.62 -0.07 -1.50 0.00 0.00 178.83 178.96 3kz4 h LEU 543 N -0.09 0.67 -0.99 1.46 3.38 0.40 1.02 115.31 121.16 3kz4 h LEU 543 Ca -0.25 0.09 0.29 0.00 0.09 0.00 0.00 57.88 58.10 3kz4 h LEU 543 Cb 1.94 -0.03 -0.14 0.00 0.09 0.00 0.00 40.66 42.52 3kz4 h LEU 543 CO 0.19 0.22 0.56 0.58 0.09 0.00 0.00 178.44 180.07 3kz4 h VAL 544 N 0.64 0.38 0.09 1.22 2.07 -1.24 -2.48 116.25 116.94 3kz4 h VAL 544 Ca 0.57 -0.14 -0.00 0.00 0.82 0.00 0.00 66.70 67.95 3kz4 h VAL 544 Cb 1.06 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 3kz4 h VAL 544 CO -0.34 0.07 -0.04 0.44 0.02 0.00 0.00 177.57 177.72 3kz4 h ASP 545 N 0.41 -0.10 -0.36 0.57 3.32 0.93 -3.18 116.42 118.01 3kz4 h ASP 545 Ca 0.69 0.00 0.07 0.00 0.02 0.00 0.00 57.03 57.81 3kz4 h ASP 545 Cb 1.48 0.03 -0.07 0.00 0.22 0.00 0.00 39.33 40.99 3kz4 h ASP 545 CO -0.56 -0.07 -0.10 0.18 -1.72 0.00 0.00 179.24 176.97 3kz4 n LEU 546 N -2.35 -0.15 -0.02 1.55 4.77 -0.94 0.34 117.00 120.21 3kz4 n LEU 546 Ca -0.01 0.63 -0.09 0.00 -0.03 0.00 0.00 56.01 56.50 3kz4 n LEU 546 Cb 0.05 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 3kz4 n LEU 546 CO 0.04 -0.59 0.69 0.74 -1.33 0.00 0.00 177.39 176.93 3kz4 h THR 547 N 0.00 0.39 -0.25 -5.08 2.02 -1.58 -1.58 112.91 106.83 3kz4 h THR 547 Ca 0.16 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.39 3kz4 h THR 547 Cb 0.25 0.39 -0.08 0.00 -1.74 0.00 0.00 68.15 66.98 3kz4 h THR 547 CO -0.37 0.00 -0.48 0.03 0.37 0.00 0.00 175.52 175.07 3kz4 h ARG 548 N -0.30 -0.44 0.00 6.66 3.08 0.58 0.21 114.38 124.17 3kz4 h ARG 548 Ca 0.11 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3kz4 h ARG 548 Cb 0.47 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.62 3kz4 h ARG 548 CO -0.34 -0.29 0.00 -0.11 -1.07 0.00 0.00 179.97 178.16 3kz4 n LEU 549 N -5.42 0.00 -0.22 3.04 7.94 -0.66 -0.76 117.00 120.92 3kz4 n LEU 549 Ca -0.03 0.71 -0.09 0.00 -1.11 0.00 0.00 56.01 55.48 3kz4 n LEU 549 Cb 0.36 -0.21 -0.05 0.00 0.53 0.00 0.00 43.42 44.05 3kz4 n LEU 549 CO 0.07 -0.21 0.55 -0.07 -1.11 0.00 0.00 177.39 176.62 3kz4 h LEU 550 N 0.00 -1.63 -0.39 -1.96 3.38 -1.28 -0.13 115.31 113.30 3kz4 h LEU 550 Ca 0.00 0.26 0.03 0.00 0.09 0.00 0.00 57.88 58.26 3kz4 h LEU 550 Cb 0.00 0.73 -0.05 0.00 0.09 0.00 0.00 40.66 41.43 3kz4 h LEU 550 CO 0.00 -0.34 -0.23 0.00 0.09 0.00 0.00 178.44 177.97 3kz4 n ALA 551 N -3.16 -0.25 -0.75 1.53 0.00 0.72 -0.98 120.51 117.61 3kz4 n ALA 551 Ca 0.01 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.78 3kz4 n ALA 551 Cb 0.34 0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.84 3kz4 n ALA 551 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3kz4 n TYR 552 N -3.99 0.00 -0.05 0.00 9.36 0.06 -1.66 117.16 120.87 3kz4 n TYR 552 Ca 0.01 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.21 3kz4 n TYR 552 Cb 0.10 -0.12 -0.01 0.00 -0.63 0.00 0.00 39.34 38.67 3kz4 n TYR 552 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 3kz4 n ASN 553 N -0.94 -0.13 0.06 2.98 3.02 -0.60 0.95 115.26 120.59 3kz4 n ASN 553 Ca 0.00 0.54 -0.13 0.00 -0.03 0.00 0.00 54.58 54.96 3kz4 n ASN 553 Cb 0.00 -0.19 -0.08 0.00 -0.61 0.00 0.00 39.78 38.90 3kz4 n ASN 553 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 3kz4 h TYR 554 N 0.00 -1.32 0.00 3.10 3.20 -1.16 0.35 116.97 121.13 3kz4 h TYR 554 Ca 0.02 0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.93 3kz4 h TYR 554 Cb 0.05 0.57 0.00 0.00 1.54 0.00 0.00 36.73 38.90 3kz4 h TYR 554 CO -0.43 -0.49 0.55 0.93 -1.64 0.00 0.00 178.16 177.08 3kz4 h GLU 555 N -0.58 0.00 0.00 1.82 5.08 0.11 -0.94 114.58 120.06 3kz4 h GLU 555 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3kz4 h GLU 555 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3kz4 h GLU 555 CO -0.29 0.00 0.00 2.41 -1.00 0.00 0.00 179.01 180.13 3kz4 n THR 556 N -2.62 0.00 -0.06 1.13 -1.04 0.27 -4.49 114.28 107.47 3kz4 n THR 556 Ca -0.01 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 61.99 3kz4 n THR 556 Cb 0.58 -0.60 0.00 0.00 -1.82 0.00 0.00 70.33 68.49 3kz4 n THR 556 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3kz4 n LEU 557 N -0.93 -0.11 0.00 -4.42 4.77 0.39 -2.32 117.00 114.38 3kz4 n LEU 557 Ca 0.00 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 3kz4 n LEU 557 Cb 0.00 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 3kz4 n LEU 557 CO 0.00 -0.24 0.00 0.80 -1.33 0.00 0.00 177.39 176.62 3kz4 n MET 558 N -4.22 0.00 -0.09 3.23 1.56 -0.37 -0.77 117.12 116.46 3kz4 n MET 558 Ca 0.01 0.00 0.07 0.00 -0.27 0.00 0.00 57.70 57.51 3kz4 n MET 558 Cb 0.06 0.00 0.13 0.00 2.15 0.00 0.00 33.22 35.56 3kz4 n MET 558 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3kz4 n ALA 559 N -0.19 0.22 0.01 -5.12 0.00 -0.98 0.18 120.51 114.63 3kz4 n ALA 559 Ca 0.00 0.28 0.01 0.00 0.00 0.00 0.00 53.44 53.73 3kz4 n ALA 559 Cb 0.00 -0.25 0.03 0.00 0.00 0.00 0.00 19.45 19.23 3kz4 n ALA 559 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kz4 s VAL 561 N -2.99 5.23 -0.97 0.00 1.01 0.13 -4.29 120.40 118.51 3kz4 s VAL 561 Ca -0.00 0.71 0.15 0.00 0.00 0.00 0.00 61.98 62.84 3kz4 s VAL 561 Cb 0.00 -3.72 -0.09 0.00 0.00 0.00 0.00 36.38 32.57 3kz4 s VAL 561 CO 0.01 0.31 0.69 0.35 0.00 0.00 0.00 175.10 176.46 3kz4 n THR 562 N 3.97 0.00 -1.67 3.92 -2.24 -1.26 -4.72 114.28 112.27 3kz4 n THR 562 Ca -0.09 -0.24 -0.41 0.00 -2.27 0.00 0.00 64.05 61.04 3kz4 n THR 562 Cb 0.51 1.07 -0.01 0.00 -2.10 0.00 0.00 70.33 69.81 3kz4 n THR 562 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3kz4 n MET 563 N -0.85 3.08 -0.10 -0.78 2.81 -1.26 -4.88 117.12 115.13 3kz4 n MET 563 Ca 0.04 -2.57 -0.00 0.00 -1.81 0.00 0.00 57.70 53.36 3kz4 n MET 563 Cb 0.26 -3.17 -0.00 0.00 -0.71 0.00 0.00 33.22 29.60 3kz4 n MET 563 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3kz4 n ASN 564 N 5.44 -0.20 -4.77 7.83 3.02 -1.26 -4.79 115.26 120.53 3kz4 n ASN 564 Ca 0.57 -0.14 -0.36 0.00 -0.03 0.00 0.00 54.58 54.62 3kz4 n ASN 564 Cb 0.35 -0.06 -0.00 0.00 -0.61 0.00 0.00 39.78 39.46 3kz4 n ASN 564 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kz4 s MET 565 N 0.51 3.53 0.00 3.52 0.23 -1.25 -5.00 119.30 120.84 3kz4 s MET 565 Ca 0.01 1.68 0.00 0.00 -1.03 0.00 0.00 55.69 56.35 3kz4 s MET 565 Cb -0.00 -2.18 0.00 0.00 -1.53 0.00 0.00 34.83 31.12 3kz4 s MET 565 CO 0.00 -0.72 0.00 1.04 -2.03 0.00 0.00 175.02 173.31 3kz4 n GLN 566 N -0.95 1.47 -3.04 3.16 6.02 -1.26 -4.65 117.38 118.13 3kz4 n GLN 566 Ca 0.10 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.94 3kz4 n GLN 566 Cb 0.50 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.72 3kz4 n GLN 566 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 3kz4 n HIS 567 N 0.00 -2.49 -4.49 1.08 -0.00 -1.26 -4.94 115.22 103.11 3kz4 n HIS 567 Ca 0.00 -2.27 -0.23 0.00 -0.00 0.00 0.00 57.72 55.22 3kz4 n HIS 567 Cb 0.00 0.92 -0.11 0.00 -0.00 0.00 0.00 29.99 30.80 3kz4 n HIS 567 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 3kz4 s VAL 568 N 0.45 1.49 -0.20 3.57 1.01 -1.26 -5.11 120.40 120.35 3kz4 s VAL 568 Ca 0.32 -2.02 -0.26 0.00 0.00 0.00 0.00 61.98 60.01 3kz4 s VAL 568 Cb 0.03 -2.79 -0.01 0.00 0.00 0.00 0.00 36.38 33.61 3kz4 s VAL 568 CO -0.12 -0.05 0.89 -1.10 0.00 0.00 0.00 175.10 174.71 3kz4 s GLN 569 N -3.81 4.27 0.00 2.72 -1.52 -1.26 -4.81 119.66 115.24 3kz4 s GLN 569 Ca 0.35 1.10 0.00 0.00 -1.95 0.00 0.00 55.36 54.86 3kz4 s GLN 569 Cb 0.08 -3.60 0.00 0.00 -0.22 0.00 0.00 33.01 29.27 3kz4 s GLN 569 CO 0.16 -0.44 0.00 2.41 -0.25 0.00 0.00 175.29 177.17 3kz4 n THR 570 N 4.97 0.00 0.00 -0.19 -1.04 -1.26 -4.97 114.28 111.79 3kz4 n THR 570 Ca 0.07 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.08 3kz4 n THR 570 Cb 0.48 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.99 3kz4 n THR 570 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3kz4 n LEU 571 N 0.00 0.00 0.09 -4.42 -0.00 -1.26 -4.92 117.00 106.49 3kz4 n LEU 571 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 56.13 3kz4 n LEU 571 Cb 0.00 0.00 0.27 0.00 -0.00 0.00 0.00 43.42 43.69 3kz4 n LEU 571 CO 0.00 0.00 0.60 0.74 -0.00 0.00 0.00 177.39 178.73 3kz4 h THR 572 N 0.00 0.00 -5.51 1.96 2.02 -1.91 -3.49 112.91 105.97 3kz4 h THR 572 Ca 0.00 -0.53 0.00 0.00 0.77 0.00 0.00 66.41 66.65 3kz4 h THR 572 Cb 0.00 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.72 3kz4 h THR 572 CO 0.00 0.00 0.00 0.41 0.37 0.00 0.00 175.52 176.30 3kz4 n THR 573 N -2.25 -0.83 -2.19 3.16 -1.04 -1.25 -4.88 114.28 104.99 3kz4 n THR 573 Ca 0.04 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.65 3kz4 n THR 573 Cb 0.44 -2.22 -0.03 0.00 -1.82 0.00 0.00 70.33 66.70 3kz4 n THR 573 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3kz4 s GLU 574 N 0.00 4.41 -0.05 -2.82 0.41 -1.16 -4.61 118.70 114.88 3kz4 s GLU 574 Ca 0.00 2.12 -0.18 0.00 -0.41 0.00 0.00 54.97 56.50 3kz4 s GLU 574 Cb 0.00 -3.11 -0.05 0.00 -1.78 0.00 0.00 34.13 29.19 3kz4 s GLU 574 CO 0.00 -0.12 0.49 0.15 -0.49 0.00 0.00 175.26 175.29 3kz4 s LYS 575 N -1.53 4.21 -0.07 1.61 1.02 -1.26 -1.08 119.74 122.65 3kz4 s LYS 575 Ca 0.49 0.51 -0.01 0.00 0.02 0.00 0.00 55.97 56.99 3kz4 s LYS 575 Cb -0.38 -3.34 0.03 0.00 -0.52 0.00 0.00 37.83 33.61 3kz4 s LYS 575 CO 0.49 0.38 -0.02 -1.17 -0.92 0.00 0.00 175.35 174.11 3kz4 s LEU 576 N -0.13 0.89 0.12 3.17 2.96 -1.23 -4.93 118.68 119.52 3kz4 s LEU 576 Ca 0.26 -0.13 -0.16 0.00 -0.22 0.00 0.00 54.13 53.89 3kz4 s LEU 576 Cb -0.16 -0.50 -0.07 0.00 0.50 0.00 0.00 46.19 45.96 3kz4 s LEU 576 CO 0.13 -0.14 0.55 -1.10 -1.32 0.00 0.00 176.35 174.47 3kz4 s GLN 577 N 1.63 4.03 0.30 1.98 -0.21 -1.26 -2.61 119.66 123.52 3kz4 s GLN 577 Ca 0.00 0.55 0.25 0.00 0.02 0.00 0.00 55.36 56.18 3kz4 s GLN 577 Cb -0.13 -3.02 1.07 0.00 1.00 0.00 0.00 33.01 31.93 3kz4 s GLN 577 CO -0.04 0.53 1.74 -0.07 -2.12 0.00 0.00 175.29 175.33 3kz4 h LEU 578 N 3.85 0.00 0.00 2.90 3.38 -1.86 -3.06 115.31 120.52 3kz4 h LEU 578 Ca -0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3kz4 h LEU 578 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 3kz4 h LEU 578 CO 0.65 0.00 0.00 0.41 0.09 0.00 0.00 178.44 179.59 3kz4 n THR 579 N -2.34 0.00 -0.23 0.22 -1.04 -1.26 -1.27 114.28 108.36 3kz4 n THR 579 Ca 0.01 1.15 -0.02 0.00 -2.04 0.00 0.00 64.05 63.15 3kz4 n THR 579 Cb 0.21 -1.95 0.04 0.00 -1.82 0.00 0.00 70.33 66.81 3kz4 n THR 579 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 3kz4 h SER 580 N 0.00 -0.92 0.00 8.00 4.64 -1.84 -2.17 113.55 121.26 3kz4 h SER 580 Ca 0.00 0.22 0.00 0.00 -0.47 0.00 0.00 61.79 61.54 3kz4 h SER 580 Cb 0.00 0.52 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 3kz4 h SER 580 CO 0.00 -0.27 0.00 0.52 -0.87 0.00 0.00 176.83 176.21 3kz4 n VAL 581 N -5.46 0.00 -0.33 0.95 0.31 -1.16 -0.04 118.33 112.61 3kz4 n VAL 581 Ca 0.07 1.34 0.26 0.00 -0.01 0.00 0.00 64.34 66.00 3kz4 n VAL 581 Cb 0.36 -1.81 0.49 0.00 -0.91 0.00 0.00 33.84 31.97 3kz4 n VAL 581 CO 0.00 0.00 0.00 0.74 -1.32 0.00 0.00 176.83 176.25 3kz4 h THR 582 N 0.00 0.06 0.45 2.52 2.02 -0.55 -1.19 112.91 116.22 3kz4 h THR 582 Ca 0.00 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 3kz4 h THR 582 Cb 0.00 -0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 3kz4 h THR 582 CO 0.00 0.01 -0.22 0.77 0.37 0.00 0.00 175.52 176.45 3kz4 h SER 583 N 0.05 -0.52 -0.88 4.18 4.64 -0.06 -3.00 113.55 117.97 3kz4 h SER 583 Ca 0.76 0.02 0.11 0.00 -0.47 0.00 0.00 61.79 62.21 3kz4 h SER 583 Cb 1.87 0.13 -0.13 0.00 -0.31 0.00 0.00 62.40 63.96 3kz4 h SER 583 CO -0.78 -0.35 -0.41 -0.11 -0.87 0.00 0.00 176.83 174.31 3kz4 n LEU 584 N -3.74 -0.70 0.00 5.97 0.00 -0.45 -1.32 117.00 116.76 3kz4 n LEU 584 Ca -0.08 1.54 0.00 0.00 0.00 0.00 0.00 56.01 57.48 3kz4 n LEU 584 Cb 0.24 -0.30 0.00 0.00 0.00 0.00 0.00 43.42 43.37 3kz4 n LEU 584 CO 0.18 -1.34 0.00 0.00 0.00 0.00 0.00 177.39 176.24 3kz4 n MET 586 N 0.00 0.00 -1.98 0.00 0.00 -1.17 -3.62 117.12 110.35 3kz4 n MET 586 Ca 0.00 0.27 -0.37 0.00 0.00 0.00 0.00 57.70 57.60 3kz4 n MET 586 Cb 0.00 -1.54 0.04 0.00 0.00 0.00 0.00 33.22 31.72 3kz4 n MET 586 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 3kz4 n LEU 587 N -1.25 7.03 0.00 3.17 -0.00 -0.43 -5.02 117.00 120.50 3kz4 n LEU 587 Ca 0.00 -4.87 -0.13 0.00 -0.00 0.00 0.00 56.01 51.02 3kz4 n LEU 587 Cb 0.04 -0.95 -0.02 0.00 -0.00 0.00 0.00 43.42 42.49 3kz4 n LEU 587 CO 0.00 1.83 0.21 -0.38 -0.00 0.00 0.00 177.39 179.05 3kz4 n ILE 588 N -0.56 0.00 0.00 1.96 5.41 -1.24 -4.67 119.36 120.26 3kz4 n ILE 588 Ca 0.52 -1.51 0.00 0.00 1.00 0.00 0.00 62.75 62.76 3kz4 n ILE 588 Cb 0.34 0.99 0.00 0.00 -0.71 0.00 0.00 39.64 40.26 3kz4 n ILE 588 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3kz4 n GLY 589 N -0.52 1.77 4.41 7.39 0.00 -1.26 -4.85 105.19 112.12 3kz4 n GLY 589 Ca -0.01 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.93 3kz4 n GLY 589 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3kz4 n ASN 590 N 0.00 0.00 -4.91 1.61 5.15 -1.26 -4.82 115.26 111.04 3kz4 n ASN 590 Ca 0.00 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.68 3kz4 n ASN 590 Cb 0.00 -0.42 -0.04 0.00 -0.53 0.00 0.00 39.78 38.79 3kz4 n ASN 590 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3kz4 s ALA 591 N -0.07 3.76 -0.07 5.20 0.00 -1.26 -5.03 121.76 124.29 3kz4 s ALA 591 Ca 0.00 -0.62 -0.03 0.00 0.00 0.00 0.00 51.96 51.31 3kz4 s ALA 591 Cb 0.00 -2.13 0.04 0.00 0.00 0.00 0.00 23.12 21.03 3kz4 s ALA 591 CO 0.00 0.53 0.14 0.99 0.00 0.00 0.00 175.76 177.42 3kz4 s THR 592 N -1.79 -0.21 0.13 0.00 2.01 -1.26 -4.91 115.64 109.61 3kz4 s THR 592 Ca 0.41 0.34 0.07 0.00 0.31 0.00 0.00 61.69 62.83 3kz4 s THR 592 Cb -0.12 -0.26 -0.04 0.00 0.01 0.00 0.00 72.50 72.09 3kz4 s THR 592 CO 0.26 0.14 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.47 3kz4 s VAL 593 N 2.10 1.61 -0.04 3.82 1.01 -1.26 -4.80 120.40 122.84 3kz4 s VAL 593 Ca 0.01 -1.69 -0.27 0.00 0.00 0.00 0.00 61.98 60.03 3kz4 s VAL 593 Cb -0.12 -1.60 0.06 0.00 0.00 0.00 0.00 36.38 34.72 3kz4 s VAL 593 CO -0.05 -0.24 0.59 -0.63 0.00 0.00 0.00 175.10 174.76 3kz4 s ILE 594 N -1.70 0.01 -0.39 2.22 1.01 -1.26 -5.00 121.20 116.09 3kz4 s ILE 594 Ca 0.09 -0.11 -0.43 0.00 0.00 0.00 0.00 60.65 60.20 3kz4 s ILE 594 Cb -0.07 -0.91 -0.17 0.00 0.01 0.00 0.00 42.46 41.31 3kz4 s ILE 594 CO 0.05 -0.06 1.78 -2.65 0.00 0.00 0.00 174.94 174.06 3kz4 n PRO 595 N 0.97 0.59 -2.00 2.79 -0.02 -1.26 -4.93 135.00 131.15 3kz4 n PRO 595 Ca -0.20 0.21 -0.36 0.00 -2.02 0.00 0.00 63.50 61.13 3kz4 n PRO 595 Cb 0.57 -1.85 0.03 0.00 -0.02 0.00 0.00 33.50 32.24 3kz4 n PRO 595 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3kz4 s SER 596 N 4.00 5.21 0.00 2.55 0.15 -1.26 -4.88 113.70 119.46 3kz4 s SER 596 Ca 1.04 2.43 0.00 0.00 0.70 0.00 0.00 55.95 60.12 3kz4 s SER 596 Cb -1.26 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 60.45 3kz4 s SER 596 CO 0.70 -1.58 0.63 -2.65 1.20 0.00 0.00 173.24 171.54 3kz4 n PRO 597 N -1.51 0.00 -0.21 5.44 -0.02 -1.26 -2.00 135.00 135.43 3kz4 n PRO 597 Ca 0.13 0.25 0.16 0.00 -2.02 0.00 0.00 63.50 62.02 3kz4 n PRO 597 Cb 0.49 -1.13 0.31 0.00 -0.02 0.00 0.00 33.50 33.14 3kz4 n PRO 597 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3kz4 n GLN 598 N -1.04 -0.04 0.25 -0.52 6.02 -1.26 0.14 117.38 120.92 3kz4 n GLN 598 Ca 0.00 0.91 -0.14 0.00 -0.01 0.00 0.00 57.00 57.76 3kz4 n GLN 598 Cb 0.00 -1.57 -0.08 0.00 1.02 0.00 0.00 30.24 29.62 3kz4 n GLN 598 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 177.06 177.20 3kz4 h THR 599 N 0.00 0.00 -0.89 5.09 2.02 -1.87 -2.73 112.91 114.53 3kz4 h THR 599 Ca 0.49 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.76 3kz4 h THR 599 Cb 1.20 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 67.49 3kz4 h THR 599 CO -0.54 0.00 -0.54 -0.07 0.37 0.00 0.00 175.52 174.74 3kz4 h LEU 600 N -0.81 -1.96 -0.17 2.58 3.38 0.18 -1.94 115.31 116.57 3kz4 h LEU 600 Ca -0.06 0.31 0.03 0.00 0.09 0.00 0.00 57.88 58.25 3kz4 h LEU 600 Cb 0.69 0.88 -0.05 0.00 0.09 0.00 0.00 40.66 42.27 3kz4 h LEU 600 CO -0.02 -0.27 -0.39 -0.26 0.09 0.00 0.00 178.44 177.59 3kz4 h PHE 601 N -0.07 -1.18 -0.78 1.13 -1.00 -1.48 0.12 116.94 113.68 3kz4 h PHE 601 Ca 0.18 0.05 0.26 0.00 2.81 0.00 0.00 57.97 61.27 3kz4 h PHE 601 Cb 0.48 0.54 -0.14 0.00 3.61 0.00 0.00 35.95 40.43 3kz4 h PHE 601 CO -0.94 -0.38 0.19 1.58 -1.61 0.00 0.00 178.31 177.15 3kz4 n HIS 602 N -4.61 0.67 0.23 -0.55 -0.00 -0.76 0.13 115.22 110.32 3kz4 n HIS 602 Ca -0.04 0.93 -0.15 0.00 0.46 0.00 0.00 57.72 58.92 3kz4 n HIS 602 Cb 0.26 -1.19 -0.08 0.00 -0.12 0.00 0.00 29.99 28.86 3kz4 n HIS 602 CO 0.00 0.00 0.00 -0.92 0.46 0.00 0.00 176.34 175.88 3kz4 h TYR 603 N 0.00 -0.49 0.00 1.57 3.20 -0.44 -1.94 116.97 118.87 3kz4 h TYR 603 Ca 0.55 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.41 3kz4 h TYR 603 Cb 1.30 0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.73 3kz4 h TYR 603 CO -0.23 -0.26 0.00 0.98 -1.64 0.00 0.00 178.16 177.01 3kz4 n TYR 604 N -5.29 0.00 -0.18 -3.82 9.36 0.34 -2.43 117.16 115.14 3kz4 n TYR 604 Ca -0.11 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.08 3kz4 n TYR 604 Cb 0.25 -0.47 -0.02 0.00 -0.63 0.00 0.00 39.34 38.47 3kz4 n TYR 604 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 3kz4 n ASN 605 N -2.41 -0.40 0.00 2.98 3.02 0.23 -1.27 115.26 117.41 3kz4 n ASN 605 Ca 0.00 0.79 0.00 0.00 -0.03 0.00 0.00 54.58 55.34 3kz4 n ASN 605 Cb 0.00 -0.13 0.00 0.00 -0.61 0.00 0.00 39.78 39.04 3kz4 n ASN 605 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 3kz4 n VAL 606 N -4.60 0.00 -0.30 2.41 0.24 -0.73 -1.25 118.33 114.10 3kz4 n VAL 606 Ca 0.02 1.37 0.13 0.00 -2.04 0.00 0.00 64.34 63.82 3kz4 n VAL 606 Cb 0.14 -2.26 0.25 0.00 -1.47 0.00 0.00 33.84 30.50 3kz4 n VAL 606 CO 0.00 0.00 0.00 0.59 -2.14 0.00 0.00 176.83 175.28 3kz4 n ASN 607 N -1.82 -0.10 0.00 -1.34 3.02 -0.71 -0.71 115.26 113.60 3kz4 n ASN 607 Ca 0.00 1.45 0.00 0.00 -0.03 0.00 0.00 54.58 56.00 3kz4 n ASN 607 Cb 0.00 -0.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.64 3kz4 n ASN 607 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3kz4 n VAL 608 N -5.24 0.00 0.00 2.41 0.31 -0.40 -0.19 118.33 115.22 3kz4 n VAL 608 Ca 0.20 1.15 0.00 0.00 -0.01 0.00 0.00 64.34 65.68 3kz4 n VAL 608 Cb 0.66 -1.76 0.00 0.00 -0.91 0.00 0.00 33.84 31.82 3kz4 n VAL 608 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3kz4 n ASN 609 N -1.44 0.00 -0.25 4.52 3.02 0.11 -0.56 115.26 120.66 3kz4 n ASN 609 Ca 0.00 0.76 -0.06 0.00 -0.03 0.00 0.00 54.58 55.25 3kz4 n ASN 609 Cb 0.00 -0.36 -0.05 0.00 -0.61 0.00 0.00 39.78 38.77 3kz4 n ASN 609 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 3kz4 n PHE 610 N -2.59 -0.23 0.00 3.10 7.35 -0.72 0.19 117.46 124.57 3kz4 n PHE 610 Ca 0.00 0.75 0.00 0.00 -0.76 0.00 0.00 57.45 57.44 3kz4 n PHE 610 Cb 0.00 -0.57 0.00 0.00 0.35 0.00 0.00 39.48 39.26 3kz4 n PHE 610 CO 0.00 0.00 0.00 1.58 -0.76 0.00 0.00 176.76 177.58 3kz4 n HIS 611 N -4.76 0.00 -0.29 -5.13 -0.00 0.73 -0.33 115.22 105.43 3kz4 n HIS 611 Ca 0.02 0.00 0.14 0.00 0.46 0.00 0.00 57.72 58.34 3kz4 n HIS 611 Cb 0.17 -0.48 0.28 0.00 -0.12 0.00 0.00 29.99 29.84 3kz4 n HIS 611 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 3kz4 n SER 612 N -2.55 -0.05 0.21 0.26 2.88 0.13 0.78 113.62 115.27 3kz4 n SER 612 Ca 0.00 1.43 -0.15 0.00 -1.33 0.00 0.00 58.87 58.82 3kz4 n SER 612 Cb 0.00 -0.54 -0.08 0.00 -0.75 0.00 0.00 64.21 62.84 3kz4 n SER 612 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 3kz4 h ASN 613 N 0.00 -0.43 -0.02 -3.46 -1.24 0.10 0.29 115.58 110.81 3kz4 h ASN 613 Ca 0.54 -0.09 0.01 0.00 0.71 0.00 0.00 56.30 57.47 3kz4 h ASN 613 Cb 1.16 0.11 -0.02 0.00 0.73 0.00 0.00 38.32 40.30 3kz4 h ASN 613 CO -0.78 -0.17 -0.21 0.22 -1.29 0.00 0.00 177.43 175.21 3kz4 h TYR 614 N -0.70 -0.61 -0.64 0.67 3.20 0.34 0.34 116.97 119.56 3kz4 h TYR 614 Ca -0.05 0.02 0.10 0.00 3.14 0.00 0.00 58.73 61.93 3kz4 h TYR 614 Cb 0.49 0.27 -0.11 0.00 1.54 0.00 0.00 36.73 38.92 3kz4 h TYR 614 CO -0.01 -0.22 -0.43 -0.91 -1.64 0.00 0.00 178.16 174.96 3kz4 h ASN 615 N -0.24 -1.48 0.39 -2.11 2.35 -0.86 -0.19 115.58 113.43 3kz4 h ASN 615 Ca 0.01 0.25 -0.01 0.00 -0.55 0.00 0.00 56.30 56.00 3kz4 h ASN 615 Cb 0.27 0.69 -0.02 0.00 0.05 0.00 0.00 38.32 39.31 3kz4 h ASN 615 CO -0.15 -0.32 -0.39 -0.08 -1.65 0.00 0.00 177.43 174.84 3kz4 h GLU 616 N -0.19 -0.75 -1.01 0.81 4.57 0.12 -1.76 114.58 116.38 3kz4 h GLU 616 Ca 0.20 0.05 0.23 0.00 -1.18 0.00 0.00 59.36 58.66 3kz4 h GLU 616 Cb 0.56 0.17 -0.11 0.00 -0.16 0.00 0.00 28.75 29.21 3kz4 h GLU 616 CO -0.73 -0.50 0.62 0.00 -1.18 0.00 0.00 179.01 177.22 3kz4 h ARG 617 N -0.78 0.57 -0.18 1.92 2.47 -0.03 0.31 114.38 118.66 3kz4 h ARG 617 Ca -0.05 -0.03 0.04 0.00 -1.26 0.00 0.00 59.98 58.68 3kz4 h ARG 617 Cb 0.67 -0.13 -0.07 0.00 -1.65 0.00 0.00 29.97 28.79 3kz4 h ARG 617 CO -0.04 0.37 -0.48 0.82 0.56 0.00 0.00 179.97 181.20 3kz4 h ILE 618 N 0.58 0.07 -0.08 2.04 1.08 -0.33 1.93 117.51 122.80 3kz4 h ILE 618 Ca 0.60 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 65.09 3kz4 h ILE 618 Cb 1.18 0.07 -0.03 0.00 -3.07 0.00 0.00 36.82 34.97 3kz4 h ILE 618 CO -0.37 0.00 -0.09 0.78 -0.69 0.00 0.00 178.15 177.78 3kz4 h ASN 619 N -0.51 -0.28 -0.63 1.72 2.35 0.32 0.28 115.58 118.83 3kz4 h ASN 619 Ca 0.07 0.06 0.13 0.00 -0.55 0.00 0.00 56.30 56.00 3kz4 h ASN 619 Cb 0.65 0.14 -0.09 0.00 0.05 0.00 0.00 38.32 39.06 3kz4 h ASN 619 CO -0.45 -0.13 0.11 0.44 -1.65 0.00 0.00 177.43 175.75 3kz4 h ASP 620 N -0.12 -0.06 0.00 5.81 3.32 0.41 -1.03 116.42 124.75 3kz4 h ASP 620 Ca 0.06 0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3kz4 h ASP 620 Cb 0.21 0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.95 3kz4 h ASP 620 CO -0.15 -0.03 0.00 0.00 -1.72 0.00 0.00 179.24 177.34 3kz4 n ALA 621 N -2.66 -0.43 -0.06 3.45 0.00 0.64 -2.97 120.51 118.48 3kz4 n ALA 621 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.52 3kz4 n ALA 621 Cb 0.36 0.03 -0.01 0.00 0.00 0.00 0.00 19.45 19.82 3kz4 n ALA 621 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3kz4 n VAL 622 N -1.96 -0.10 -0.23 0.00 0.31 0.88 -0.98 118.33 116.25 3kz4 n VAL 622 Ca 0.00 1.47 0.01 0.00 -0.01 0.00 0.00 64.34 65.81 3kz4 n VAL 622 Cb 0.00 -1.93 0.04 0.00 -0.91 0.00 0.00 33.84 31.05 3kz4 n VAL 622 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kz4 n ALA 623 N -2.96 -0.01 -0.00 3.52 0.00 -0.41 -0.81 120.51 119.84 3kz4 n ALA 623 Ca 0.00 0.63 0.00 0.00 0.00 0.00 0.00 53.44 54.07 3kz4 n ALA 623 Cb 0.04 -0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.17 3kz4 n ALA 623 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3kz4 n ILE 624 N -4.93 0.00 -0.36 0.00 5.41 -0.15 -2.10 119.36 117.23 3kz4 n ILE 624 Ca 0.07 1.50 0.03 0.00 1.00 0.00 0.00 62.75 65.35 3kz4 n ILE 624 Cb 0.27 -2.44 0.10 0.00 -0.71 0.00 0.00 39.64 36.85 3kz4 n ILE 624 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 3kz4 h ILE 625 N 0.00 0.02 -0.32 1.39 2.04 -0.54 0.47 117.51 120.57 3kz4 h ILE 625 Ca 0.00 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.90 3kz4 h ILE 625 Cb 0.00 0.02 -0.04 0.00 -0.74 0.00 0.00 36.82 36.06 3kz4 h ILE 625 CO 0.00 0.00 0.09 0.74 0.00 0.00 0.00 178.15 178.98 3kz4 h THR 626 N -0.00 0.88 -0.32 -0.27 2.02 -1.32 -0.56 112.91 113.33 3kz4 h THR 626 Ca 0.42 -0.07 0.04 0.00 0.77 0.00 0.00 66.41 67.57 3kz4 h THR 626 Cb 0.67 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 67.68 3kz4 h THR 626 CO -0.99 0.04 0.07 0.00 0.37 0.00 0.00 175.52 175.01 3kz4 h ALA 627 N 1.22 0.34 -1.26 6.16 0.00 0.10 -0.31 119.26 125.51 3kz4 h ALA 627 Ca 0.15 0.06 0.37 0.00 0.00 0.00 0.00 54.91 55.48 3kz4 h ALA 627 Cb 0.14 0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.92 3kz4 h ALA 627 CO -0.17 -0.33 0.88 0.00 0.00 0.00 0.00 179.25 179.62 3kz4 h ALA 628 N 1.23 2.95 0.00 0.00 0.00 0.13 -2.87 119.26 120.71 3kz4 h ALA 628 Ca 0.15 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3kz4 h ALA 628 Cb 0.16 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3kz4 h ALA 628 CO -0.19 -1.37 -0.22 -0.91 0.00 0.00 0.00 179.25 176.56 3kz4 h ASN 629 N 0.10 0.00 0.00 0.00 2.35 -0.18 -3.31 115.58 114.54 3kz4 h ASN 629 Ca 0.65 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 56.37 3kz4 h ASN 629 Cb 2.31 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 40.67 3kz4 h ASN 629 CO -0.13 0.61 0.35 0.54 -1.65 0.00 0.00 177.43 177.15 3kz4 n ARG 630 N -4.71 0.30 0.00 0.81 1.74 -1.03 0.53 116.66 114.30 3kz4 n ARG 630 Ca -0.03 -0.15 0.00 0.00 -0.77 0.00 0.00 57.85 56.90 3kz4 n ARG 630 Cb 0.11 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 29.98 3kz4 n ARG 630 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3kz4 n LEU 631 N 2.88 0.00 -3.21 0.55 4.77 -1.23 -4.99 117.00 115.77 3kz4 n LEU 631 Ca 0.06 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.81 3kz4 n LEU 631 Cb 0.14 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.25 3kz4 n LEU 631 CO 0.22 0.00 0.00 0.59 -1.33 0.00 0.00 177.39 176.87 3kz4 n ASN 632 N 0.00 -5.21 -3.69 -1.43 3.02 0.19 -4.86 115.26 103.27 3kz4 n ASN 632 Ca 0.00 -0.35 -0.42 0.00 -0.03 0.00 0.00 54.58 53.78 3kz4 n ASN 632 Cb 0.00 -4.23 -0.00 0.00 -0.61 0.00 0.00 39.78 34.94 3kz4 n ASN 632 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3kz4 n LEU 633 N -3.99 7.19 0.00 3.41 4.32 -1.25 -4.67 117.00 122.01 3kz4 n LEU 633 Ca -0.07 -4.47 0.00 0.00 -0.02 0.00 0.00 56.01 51.46 3kz4 n LEU 633 Cb 0.59 -1.53 0.02 0.00 -1.62 0.00 0.00 43.42 40.87 3kz4 n LEU 633 CO 0.51 1.47 0.14 0.00 -1.22 0.00 0.00 177.39 178.29 3kz4 n TYR 634 N 4.30 0.00 -0.27 -1.77 0.18 -1.26 -2.41 117.16 115.92 3kz4 n TYR 634 Ca 0.52 0.00 0.00 0.00 1.88 0.00 0.00 57.90 60.30 3kz4 n TYR 634 Cb 0.34 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.30 3kz4 n TYR 634 CO 0.00 0.00 0.00 1.04 -2.08 0.00 0.00 176.86 175.82 3kz4 n GLN 635 N -0.55 2.19 -2.81 -3.48 6.02 -1.26 -4.77 117.38 112.72 3kz4 n GLN 635 Ca 0.01 -1.24 -0.34 0.00 -0.01 0.00 0.00 57.00 55.42 3kz4 n GLN 635 Cb 0.00 -0.87 -0.01 0.00 1.02 0.00 0.00 30.24 30.38 3kz4 n GLN 635 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 177.06 177.22 3kz4 n LYS 636 N -0.37 4.28 -0.52 -1.09 3.00 -1.01 -5.03 118.16 117.43 3kz4 n LYS 636 Ca 0.00 -4.77 -0.21 0.00 -0.00 0.00 0.00 58.31 53.33 3kz4 n LYS 636 Cb 0.32 -2.35 -0.03 0.00 0.00 0.00 0.00 35.03 32.97 3kz4 n LYS 636 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 3kz4 n LYS 637 N -0.14 0.00 -2.93 1.64 2.85 -1.26 -4.78 118.16 113.54 3kz4 n LYS 637 Ca 0.38 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 57.21 3kz4 n LYS 637 Cb 0.33 -0.46 -0.05 0.00 -0.65 0.00 0.00 35.03 34.20 3kz4 n LYS 637 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3kz4 s MET 638 N 1.06 3.23 0.00 -1.58 0.23 -1.26 -3.83 119.30 117.16 3kz4 s MET 638 Ca 0.33 -0.55 0.00 0.00 -1.03 0.00 0.00 55.69 54.44 3kz4 s MET 638 Cb -0.46 -4.10 0.00 0.00 -1.53 0.00 0.00 34.83 28.74 3kz4 s MET 638 CO 0.25 -1.48 0.01 1.17 -2.03 0.00 0.00 175.02 172.94 3kz4 n LYS 639 N 7.14 0.00 -0.02 3.16 4.81 -1.26 -4.90 118.16 127.08 3kz4 n LYS 639 Ca -0.02 -0.01 -0.01 0.00 -0.87 0.00 0.00 58.31 57.41 3kz4 n LYS 639 Cb 0.46 -0.08 -0.00 0.00 0.02 0.00 0.00 35.03 35.43 3kz4 n LYS 639 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3kz4 h ALA 640 N 0.00 0.00 0.08 3.14 0.00 -1.91 -3.34 119.26 117.23 3kz4 h ALA 640 Ca 0.00 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.78 3kz4 h ALA 640 Cb 0.55 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 3kz4 h ALA 640 CO 0.00 0.08 -0.19 -0.84 0.00 0.00 0.00 179.25 178.30 3kz4 h ILE 641 N -0.39 0.55 -0.60 0.00 3.07 -1.90 -2.85 117.51 115.38 3kz4 h ILE 641 Ca 0.00 0.00 0.12 0.00 1.55 0.00 0.00 64.86 66.53 3kz4 h ILE 641 Cb 0.08 0.55 -0.12 0.00 -0.27 0.00 0.00 36.82 37.07 3kz4 h ILE 641 CO 0.00 0.00 -0.25 0.58 -1.05 0.00 0.00 178.15 177.43 3kz4 h VAL 642 N -0.36 0.25 -0.13 0.16 2.07 -1.93 -1.10 116.25 115.22 3kz4 h VAL 642 Ca 0.03 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.57 3kz4 h VAL 642 Cb 0.39 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.38 3kz4 h VAL 642 CO -0.13 0.00 -0.24 -0.33 0.02 0.00 0.00 177.57 176.89 3kz4 h GLU 643 N -0.10 -0.20 -0.58 1.57 5.08 -1.63 -1.80 114.58 116.93 3kz4 h GLU 643 Ca 0.27 0.01 0.11 0.00 -1.00 0.00 0.00 59.36 58.75 3kz4 h GLU 643 Cb 0.52 0.04 -0.11 0.00 0.50 0.00 0.00 28.75 29.70 3kz4 h GLU 643 CO -0.67 -0.13 -0.24 -0.44 -1.00 0.00 0.00 179.01 176.53 3kz4 h ASP 644 N -0.20 -0.86 0.00 1.42 3.32 -1.32 -2.34 116.42 116.44 3kz4 h ASP 644 Ca 0.02 0.20 0.00 0.00 0.02 0.00 0.00 57.03 57.28 3kz4 h ASP 644 Cb 0.27 0.47 0.00 0.00 0.22 0.00 0.00 39.33 40.29 3kz4 h ASP 644 CO -0.23 -0.26 0.00 0.33 -1.72 0.00 0.00 179.24 177.36 3kz4 n PHE 645 N -5.43 0.00 -0.19 4.55 7.35 -0.48 -1.61 117.46 121.64 3kz4 n PHE 645 Ca 0.05 0.00 -0.00 0.00 -0.76 0.00 0.00 57.45 56.74 3kz4 n PHE 645 Cb 0.34 -0.50 0.09 0.00 0.35 0.00 0.00 39.48 39.76 3kz4 n PHE 645 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 3kz4 h LEU 646 N 0.00 -0.29 -0.29 -2.13 3.38 -1.13 -2.40 115.31 112.44 3kz4 h LEU 646 Ca 0.00 0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.16 3kz4 h LEU 646 Cb 0.00 0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 3kz4 h LEU 646 CO 0.00 -0.12 -0.51 0.11 0.09 0.00 0.00 178.44 178.02 3kz4 h LYS 647 N 0.10 -0.41 0.00 1.13 1.57 -0.83 0.13 116.57 118.26 3kz4 h LYS 647 Ca 0.30 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 3kz4 h LYS 647 Cb 0.48 0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.88 3kz4 h LYS 647 CO -0.51 -0.27 0.11 0.54 -0.57 0.00 0.00 179.45 178.75 3kz4 n ARG 648 N -5.14 0.00 -3.72 3.15 1.74 -0.63 -1.77 116.66 110.28 3kz4 n ARG 648 Ca -0.04 0.11 -0.30 0.00 -0.77 0.00 0.00 57.85 56.85 3kz4 n ARG 648 Cb 0.32 -1.61 -0.10 0.00 -1.02 0.00 0.00 32.46 30.05 3kz4 n ARG 648 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3kz4 n LEU 649 N -0.97 3.52 -3.49 0.55 4.77 0.44 -5.04 117.00 116.78 3kz4 n LEU 649 Ca 0.00 -5.25 -0.29 0.00 -0.03 0.00 0.00 56.01 50.44 3kz4 n LEU 649 Cb 0.11 -0.82 0.02 0.00 -2.33 0.00 0.00 43.42 40.41 3kz4 n LEU 649 CO 0.00 1.79 -1.60 1.41 -1.33 0.00 0.00 177.39 177.66 3kz4 n HIS 650 N 1.75 -1.13 0.00 -1.77 8.25 -0.73 -3.75 115.22 117.85 3kz4 n HIS 650 Ca 0.23 0.60 0.00 0.00 -0.26 0.00 0.00 57.72 58.29 3kz4 n HIS 650 Cb 0.37 -1.22 0.00 0.00 1.12 0.00 0.00 29.99 30.26 3kz4 n HIS 650 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 3kz4 n ILE 651 N -3.02 0.00 -2.84 1.59 5.41 -1.26 -5.02 119.36 114.22 3kz4 n ILE 651 Ca -0.01 0.00 -0.41 0.00 1.00 0.00 0.00 62.75 63.32 3kz4 n ILE 651 Cb 0.56 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 39.46 3kz4 n ILE 651 CO 0.00 0.00 0.00 -0.36 0.00 0.00 0.00 176.55 176.19 3kz4 s PHE 652 N -0.62 3.55 -1.39 1.39 0.40 -1.25 -4.95 117.98 115.13 3kz4 s PHE 652 Ca 0.00 1.45 -0.15 0.00 -0.60 0.00 0.00 56.93 57.64 3kz4 s PHE 652 Cb 0.00 -3.02 0.02 0.00 0.51 0.00 0.00 43.02 40.52 3kz4 s PHE 652 CO 0.00 -0.08 2.21 -3.47 0.70 0.00 0.00 175.22 174.58 3kz4 n ASP 653 N 4.38 3.82 -0.01 1.36 -0.08 -1.26 -4.85 116.55 119.90 3kz4 n ASP 653 Ca 0.04 -2.82 -0.00 0.00 -1.51 0.00 0.00 54.79 50.50 3kz4 n ASP 653 Cb 0.50 -1.60 -0.00 0.00 2.34 0.00 0.00 41.12 42.36 3kz4 n ASP 653 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 3kz4 n VAL 654 N 5.17 -0.02 -0.33 5.18 0.31 -1.26 0.13 118.33 127.51 3kz4 n VAL 654 Ca 0.52 1.01 0.20 0.00 -0.01 0.00 0.00 64.34 66.06 3kz4 n VAL 654 Cb 0.39 -1.34 0.41 0.00 -0.91 0.00 0.00 33.84 32.39 3kz4 n VAL 654 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kz4 h ALA 655 N -0.62 1.79 -0.04 3.52 0.00 -2.00 -0.60 119.26 121.31 3kz4 h ALA 655 Ca 0.00 0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3kz4 h ALA 655 Cb 0.01 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3kz4 h ALA 655 CO -0.03 -0.44 -0.01 0.54 0.00 0.00 0.00 179.25 179.31 3kz4 n ARG 656 N -5.01 1.20 -3.66 0.00 5.12 0.36 -4.62 116.66 110.06 3kz4 n ARG 656 Ca 0.28 -0.27 -0.05 0.00 -1.93 0.00 0.00 57.85 55.88 3kz4 n ARG 656 Cb 0.85 -1.19 -0.07 0.00 -1.16 0.00 0.00 32.46 30.89 3kz4 n ARG 656 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3kz4 s VAL 657 N -0.07 -0.68 1.01 1.55 1.01 -0.24 -4.86 120.40 118.13 3kz4 s VAL 657 Ca 0.12 0.07 -0.23 0.00 0.00 0.00 0.00 61.98 61.93 3kz4 s VAL 657 Cb 0.06 -0.85 -0.13 0.00 0.00 0.00 0.00 36.38 35.46 3kz4 s VAL 657 CO -0.00 0.03 -1.08 -2.65 0.00 0.00 0.00 175.10 171.40 3kz4 n PRO 658 N 5.20 -0.24 0.09 2.72 -0.02 -1.26 -4.95 135.00 136.55 3kz4 n PRO 658 Ca -0.13 -0.07 -0.04 0.00 -2.02 0.00 0.00 63.50 61.25 3kz4 n PRO 658 Cb 0.51 -1.14 -0.02 0.00 -0.02 0.00 0.00 33.50 32.83 3kz4 n PRO 658 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3kz4 h ASP 659 N -1.18 0.00 0.00 2.55 3.32 -1.98 -3.39 116.42 115.74 3kz4 h ASP 659 Ca -0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 3kz4 h ASP 659 Cb 1.37 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.92 3kz4 h ASP 659 CO 0.25 0.83 0.00 -0.90 -1.72 0.00 0.00 179.24 177.69 3kz4 n ASP 660 N -3.43 0.00 0.00 6.45 5.68 -1.26 -2.42 116.55 121.57 3kz4 n ASP 660 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.29 3kz4 n ASP 660 Cb 0.83 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.81 3kz4 n ASP 660 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3kz4 n GLN 661 N 0.00 0.00 -0.19 0.11 1.13 -1.26 0.21 117.38 117.37 3kz4 n GLN 661 Ca 0.00 0.00 -0.11 0.00 -1.94 0.00 0.00 57.00 54.95 3kz4 n GLN 661 Cb 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 30.24 30.28 3kz4 n GLN 661 CO 0.00 0.00 0.00 0.52 -1.44 0.00 0.00 177.06 176.14 3kz4 h MET 662 N 0.00 -0.28 0.32 -1.09 2.86 -1.71 0.16 114.93 115.20 3kz4 h MET 662 Ca 0.00 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.66 3kz4 h MET 662 Cb 0.00 0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 3kz4 h MET 662 CO 0.00 -0.19 -0.34 1.88 1.06 0.00 0.00 176.91 179.33 3kz4 h TYR 663 N -0.29 -0.91 -1.36 -0.22 -1.99 0.28 0.53 116.97 113.02 3kz4 h TYR 663 Ca 0.13 0.01 0.40 0.00 2.00 0.00 0.00 58.73 61.26 3kz4 h TYR 663 Cb 0.57 0.36 -0.06 0.00 2.00 0.00 0.00 36.73 39.59 3kz4 h TYR 663 CO -0.74 -0.47 0.97 -0.09 -0.00 0.00 0.00 178.16 177.82 3kz4 h ARG 664 N -0.69 0.04 -0.56 4.88 2.43 -1.42 1.74 114.38 120.79 3kz4 h ARG 664 Ca -0.02 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.11 3kz4 h ARG 664 Cb 0.63 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.15 3kz4 h ARG 664 CO -0.07 0.02 0.21 1.25 -1.51 0.00 0.00 179.97 179.87 3kz4 h LEU 665 N 0.04 0.80 0.40 3.80 5.85 0.16 -2.63 115.31 123.71 3kz4 h LEU 665 Ca 0.67 -0.19 -0.02 0.00 0.84 0.00 0.00 57.88 59.18 3kz4 h LEU 665 Cb 2.57 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 43.39 3kz4 h LEU 665 CO -0.06 0.77 -0.19 0.08 -0.34 0.00 0.00 178.44 178.70 3kz4 h ARG 666 N 0.78 -0.51 -0.99 1.25 0.11 0.31 -2.17 114.38 113.16 3kz4 h ARG 666 Ca 0.19 0.04 0.40 0.00 0.10 0.00 0.00 59.98 60.71 3kz4 h ARG 666 Cb 0.23 0.12 -0.18 0.00 1.11 0.00 0.00 29.97 31.25 3kz4 h ARG 666 CO -0.01 -0.25 0.50 -0.25 0.10 0.00 0.00 179.97 180.06 3kz4 n ASP 667 N -5.25 0.31 0.09 0.08 8.00 -0.47 0.29 116.55 119.60 3kz4 n ASP 667 Ca -0.11 1.65 -0.22 0.00 0.71 0.00 0.00 54.79 56.82 3kz4 n ASP 667 Cb 0.27 -0.79 -0.14 0.00 -0.02 0.00 0.00 41.12 40.44 3kz4 n ASP 667 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 3kz4 h ARG 668 N 0.00 0.50 -0.47 -1.24 3.08 -1.30 -3.34 114.38 111.61 3kz4 h ARG 668 Ca 0.82 -0.74 0.02 0.00 0.07 0.00 0.00 59.98 60.15 3kz4 h ARG 668 Cb 2.15 0.26 -0.03 0.00 0.08 0.00 0.00 29.97 32.43 3kz4 h ARG 668 CO -0.77 1.34 0.27 -0.07 -1.07 0.00 0.00 179.97 179.67 3kz4 h LEU 669 N 0.04 0.44 -1.76 3.04 3.38 0.50 -2.65 115.31 118.29 3kz4 h LEU 669 Ca -0.18 0.01 0.33 0.00 0.09 0.00 0.00 57.88 58.12 3kz4 h LEU 669 Cb 1.86 -0.09 -0.07 0.00 0.09 0.00 0.00 40.66 42.45 3kz4 h LEU 669 CO 0.22 0.31 0.80 0.03 0.09 0.00 0.00 178.44 179.89 3kz4 h ARG 670 N 0.55 0.13 -0.79 1.13 3.08 -1.09 0.11 114.38 117.49 3kz4 h ARG 670 Ca 0.19 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.23 3kz4 h ARG 670 Cb 0.02 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.04 3kz4 h ARG 670 CO -0.09 0.08 0.00 1.28 -1.07 0.00 0.00 179.97 180.17 3kz4 n LEU 671 N -4.35 2.61 -4.64 3.04 4.77 -1.00 -4.91 117.00 112.52 3kz4 n LEU 671 Ca 0.26 -1.32 -0.29 0.00 -0.03 0.00 0.00 56.01 54.63 3kz4 n LEU 671 Cb 1.15 -0.53 -0.09 0.00 -2.33 0.00 0.00 43.42 41.62 3kz4 n LEU 671 CO 0.35 0.39 -0.37 -0.76 -1.33 0.00 0.00 177.39 175.66 3kz4 s LEU 672 N -1.01 3.27 0.00 2.23 1.43 0.38 -5.12 118.68 119.85 3kz4 s LEU 672 Ca 0.20 -0.30 -0.04 0.00 -1.03 0.00 0.00 54.13 52.96 3kz4 s LEU 672 Cb 0.15 -2.01 0.06 0.00 0.03 0.00 0.00 46.19 44.41 3kz4 s LEU 672 CO 0.06 0.16 0.21 -2.65 0.23 0.00 0.00 176.35 174.37 3kz4 n PRO 673 N 0.52 -1.33 -4.32 1.29 -0.02 -1.26 -5.02 135.00 124.87 3kz4 n PRO 673 Ca -0.12 -0.34 -0.22 0.00 -2.02 0.00 0.00 63.50 60.81 3kz4 n PRO 673 Cb 0.53 -0.31 -0.12 0.00 -0.02 0.00 0.00 33.50 33.58 3kz4 n PRO 673 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3kz4 s VAL 674 N -1.39 1.77 -0.08 -1.45 1.01 -1.26 -4.82 120.40 114.19 3kz4 s VAL 674 Ca 0.13 -1.80 -0.30 0.00 0.00 0.00 0.00 61.98 60.02 3kz4 s VAL 674 Cb -0.01 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 3kz4 s VAL 674 CO 0.10 -0.24 1.10 -0.70 0.00 0.00 0.00 175.10 175.36 3kz4 s GLU 675 N -2.52 4.39 0.08 2.72 2.12 -1.26 -4.79 118.70 119.44 3kz4 s GLU 675 Ca 0.13 1.53 -0.06 0.00 0.36 0.00 0.00 54.97 56.93 3kz4 s GLU 675 Cb -0.07 -3.55 0.09 0.00 0.26 0.00 0.00 34.13 30.87 3kz4 s GLU 675 CO 0.06 -0.37 0.55 0.28 -0.54 0.00 0.00 175.26 175.23 3kz4 n VAL 676 N 4.56 -0.18 0.00 3.70 0.31 -1.26 0.74 118.33 126.20 3kz4 n VAL 676 Ca 0.10 0.83 0.00 0.00 -0.01 0.00 0.00 64.34 65.26 3kz4 n VAL 676 Cb 0.47 -1.10 0.00 0.00 -0.91 0.00 0.00 33.84 32.31 3kz4 n VAL 676 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 3kz4 n ARG 677 N -4.53 0.00 0.00 5.55 0.63 -1.26 0.13 116.66 117.19 3kz4 n ARG 677 Ca 0.04 0.73 0.00 0.00 -0.92 0.00 0.00 57.85 57.70 3kz4 n ARG 677 Cb 0.14 -1.36 0.00 0.00 0.45 0.00 0.00 32.46 31.69 3kz4 n ARG 677 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 3kz4 n ARG 678 N -2.23 0.00 -0.15 -0.14 5.12 0.23 -2.52 116.66 116.96 3kz4 n ARG 678 Ca 0.00 0.87 -0.07 0.00 -1.93 0.00 0.00 57.85 56.72 3kz4 n ARG 678 Cb 0.00 -1.42 -0.05 0.00 -1.16 0.00 0.00 32.46 29.83 3kz4 n ARG 678 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 3kz4 h LEU 679 N 0.00 -1.07 -0.41 0.55 5.85 -1.13 -0.86 115.31 118.24 3kz4 h LEU 679 Ca 0.00 0.15 0.05 0.00 0.84 0.00 0.00 57.88 58.92 3kz4 h LEU 679 Cb 0.00 0.46 -0.01 0.00 0.37 0.00 0.00 40.66 41.48 3kz4 h LEU 679 CO 0.00 -0.17 0.95 0.44 -0.34 0.00 0.00 178.44 179.33 3kz4 h ASP 680 N -0.10 0.00 0.10 1.25 3.32 0.14 0.16 116.42 121.28 3kz4 h ASP 680 Ca 0.06 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.81 3kz4 h ASP 680 Cb 0.26 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 3kz4 h ASP 680 CO -0.41 0.00 -1.58 -0.29 -1.72 0.00 0.00 179.24 175.24 3kz4 h ILE 681 N 0.00 0.87 -0.90 0.35 6.09 -0.95 -3.33 117.51 119.64 3kz4 h ILE 681 Ca 0.08 -2.34 0.08 0.00 -1.37 0.00 0.00 64.86 61.31 3kz4 h ILE 681 Cb 1.98 2.55 -0.07 0.00 0.47 0.00 0.00 36.82 41.75 3kz4 h ILE 681 CO -0.00 0.70 0.55 0.15 -3.07 0.00 0.00 178.15 176.48 3kz4 h PHE 682 N -0.31 1.02 -0.93 2.19 3.57 -0.67 0.10 116.94 121.92 3kz4 h PHE 682 Ca -0.35 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.26 3kz4 h PHE 682 Cb 1.77 -0.32 -0.07 0.00 2.79 0.00 0.00 35.95 40.12 3kz4 h PHE 682 CO 0.10 0.47 0.60 -0.91 -2.23 0.00 0.00 178.31 176.34 3kz4 h ASN 683 N 0.96 0.89 -0.03 0.41 2.35 -1.68 -1.14 115.58 117.34 3kz4 h ASN 683 Ca 0.42 0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 56.18 3kz4 h ASN 683 Cb 0.29 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.49 3kz4 h ASN 683 CO -0.21 0.54 0.01 0.25 -1.65 0.00 0.00 177.43 176.36 3kz4 h LEU 684 N 0.99 0.05 -0.18 1.61 5.85 -0.94 -2.07 115.31 120.62 3kz4 h LEU 684 Ca 0.42 -0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.91 3kz4 h LEU 684 Cb 0.31 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3kz4 h LEU 684 CO -0.18 0.27 0.11 0.40 -0.34 0.00 0.00 178.44 178.70 3kz4 h ILE 685 N -0.17 1.03 0.56 4.05 2.04 -0.61 -3.25 117.51 121.16 3kz4 h ILE 685 Ca 0.01 -0.08 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 3kz4 h ILE 685 Cb 0.24 0.78 0.01 0.00 -0.74 0.00 0.00 36.82 37.10 3kz4 h ILE 685 CO 0.00 0.04 -0.27 0.25 0.00 0.00 0.00 178.15 178.18 3kz4 h LEU 686 N 0.23 -0.63 -0.42 1.44 5.85 -1.25 -1.13 115.31 119.39 3kz4 h LEU 686 Ca 0.07 0.02 0.18 0.00 0.84 0.00 0.00 57.88 58.99 3kz4 h LEU 686 Cb -0.02 0.16 -0.08 0.00 0.37 0.00 0.00 40.66 41.10 3kz4 h LEU 686 CO -0.02 -0.43 0.22 0.80 -0.34 0.00 0.00 178.44 178.66 3kz4 n MET 687 N -4.11 -0.03 -0.08 1.25 1.56 -0.78 0.48 117.12 115.42 3kz4 n MET 687 Ca -0.09 0.59 -0.07 0.00 -0.27 0.00 0.00 57.70 57.85 3kz4 n MET 687 Cb 0.29 -1.05 -0.13 0.00 2.15 0.00 0.00 33.22 34.48 3kz4 n MET 687 CO 0.00 0.00 0.00 0.09 -0.73 0.00 0.00 175.97 175.33 3kz4 n ASN 688 N -3.98 0.94 0.00 6.12 3.02 -1.22 -4.74 115.26 115.39 3kz4 n ASN 688 Ca 0.16 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.71 3kz4 n ASN 688 Cb 0.54 0.95 0.00 0.00 -0.61 0.00 0.00 39.78 40.66 3kz4 n ASN 688 CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 3kz4 n MET 689 N -2.58 0.00 -0.12 3.52 0.00 0.18 0.20 117.12 118.31 3kz4 n MET 689 Ca -0.26 0.00 -0.07 0.00 -0.00 0.00 0.00 57.70 57.37 3kz4 n MET 689 Cb 1.01 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 34.17 3kz4 n MET 689 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 3kz4 h ASP 690 N 0.00 -1.05 -0.99 6.12 3.32 -1.85 -1.27 116.42 120.70 3kz4 h ASP 690 Ca 0.00 0.14 0.34 0.00 0.02 0.00 0.00 57.03 57.54 3kz4 h ASP 690 Cb 0.00 0.44 -0.17 0.00 0.22 0.00 0.00 39.33 39.82 3kz4 h ASP 690 CO 0.00 -0.19 0.34 -0.61 -1.72 0.00 0.00 179.24 177.06 3kz4 h GLN 691 N -0.15 0.05 0.21 3.56 4.15 0.19 -1.49 115.11 121.63 3kz4 h GLN 691 Ca 0.05 -0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.46 3kz4 h GLN 691 Cb 0.29 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 27.97 3kz4 h GLN 691 CO -0.38 0.03 -0.10 0.82 -1.93 0.00 0.00 178.83 177.28 3kz4 h ILE 692 N 0.05 0.00 -0.43 2.39 5.03 -1.26 -2.85 117.51 120.44 3kz4 h ILE 692 Ca 0.72 -0.02 0.04 0.00 -0.12 0.00 0.00 64.86 65.48 3kz4 h ILE 692 Cb 1.73 0.00 -0.05 0.00 -3.03 0.00 0.00 36.82 35.47 3kz4 h ILE 692 CO -0.80 0.00 -0.26 -0.08 -0.68 0.00 0.00 178.15 176.34 3kz4 h GLU 693 N -0.30 -0.00 -0.81 2.37 4.81 -0.95 -1.94 114.58 117.75 3kz4 h GLU 693 Ca -0.03 0.00 0.19 0.00 -0.13 0.00 0.00 59.36 59.39 3kz4 h GLU 693 Cb 0.21 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 29.47 3kz4 h GLU 693 CO 0.05 -0.00 0.25 0.00 -0.73 0.00 0.00 179.01 178.58 3kz4 h ARG 694 N -0.00 0.30 0.00 1.92 3.08 -1.42 -3.40 114.38 114.86 3kz4 h ARG 694 Ca 0.07 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.05 3kz4 h ARG 694 Cb 0.18 -0.07 0.02 0.00 0.08 0.00 0.00 29.97 30.19 3kz4 h ARG 694 CO -0.40 0.20 0.03 0.00 -1.07 0.00 0.00 179.97 178.73 3kz4 n ALA 695 N -2.62 -0.31 -1.44 0.04 0.00 -0.73 -4.24 120.51 111.21 3kz4 n ALA 695 Ca 0.18 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3kz4 n ALA 695 Cb 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.99 3kz4 n ALA 695 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3kz4 n SER 696 N -3.17 -7.84 -3.14 0.00 2.88 -1.26 -4.94 113.62 96.15 3kz4 n SER 696 Ca 0.02 1.10 0.00 0.00 -1.33 0.00 0.00 58.87 58.66 3kz4 n SER 696 Cb 0.07 -4.07 0.00 0.00 -0.75 0.00 0.00 64.21 59.46 3kz4 n SER 696 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3kz4 n ASP 697 N -0.52 0.00 0.00 -3.46 8.00 -1.26 -4.42 116.55 114.89 3kz4 n ASP 697 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3kz4 n ASP 697 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 3kz4 n ASP 697 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3kz4 n LYS 698 N 0.00 0.00 -0.50 -1.24 4.76 -1.26 -4.82 118.16 115.10 3kz4 n LYS 698 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3kz4 n LYS 698 Cb 0.00 -3.56 0.00 0.00 -1.84 0.00 0.00 35.03 29.63 3kz4 n LYS 698 CO 0.00 0.00 0.00 1.51 -1.37 0.00 0.00 177.40 177.54 3kz4 n ILE 699 N -2.00 0.00 0.00 -0.18 3.06 -1.26 -4.55 119.36 114.44 3kz4 n ILE 699 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 3kz4 n ILE 699 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 3kz4 n ILE 699 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3kz4 n ALA 700 N -3.00 0.00 0.00 1.51 0.00 -0.99 -4.45 120.51 113.59 3kz4 n ALA 700 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kz4 n ALA 700 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3kz4 n ALA 700 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3kz4 n GLN 701 N -0.15 0.00 -3.58 0.00 -0.06 -1.15 -4.53 117.38 107.92 3kz4 n GLN 701 Ca 0.00 0.00 0.02 0.00 -2.00 0.00 0.00 57.00 55.02 3kz4 n GLN 701 Cb 0.00 0.00 -0.00 0.00 -4.06 0.00 0.00 30.24 26.18 3kz4 n GLN 701 CO 0.00 0.00 0.00 0.20 -0.20 0.00 0.00 177.06 177.06 3kz4 s GLY 702 N 0.00 -0.44 0.03 1.69 0.00 -1.22 0.11 107.32 107.48 3kz4 s GLY 702 Ca 0.00 1.11 0.04 0.00 0.00 0.00 0.00 44.72 45.87 3kz4 s GLY 702 CO 0.00 0.26 -0.12 0.14 0.00 0.00 0.00 173.10 173.38 3kz4 s VAL 703 N -2.07 0.94 -0.02 1.40 1.01 -1.22 -0.65 120.40 119.77 3kz4 s VAL 703 Ca 0.14 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.29 3kz4 s VAL 703 Cb 0.06 -0.85 -0.03 0.00 0.00 0.00 0.00 36.38 35.55 3kz4 s VAL 703 CO -0.06 0.02 -0.00 -0.63 0.00 0.00 0.00 175.10 174.43 3kz4 s ILE 704 N -0.73 4.17 -0.66 2.22 1.01 -1.15 -2.07 121.20 124.00 3kz4 s ILE 704 Ca 0.01 -0.51 0.05 0.00 0.00 0.00 0.00 60.65 60.20 3kz4 s ILE 704 Cb -0.07 -2.83 0.21 0.00 0.01 0.00 0.00 42.46 39.78 3kz4 s ILE 704 CO 0.01 0.44 0.61 0.00 0.00 0.00 0.00 174.94 175.99 3kz4 n ILE 705 N 1.61 1.83 -3.01 2.92 3.06 0.89 -3.71 119.36 122.94 3kz4 n ILE 705 Ca -0.16 -4.97 -0.42 0.00 -2.50 0.00 0.00 62.75 54.70 3kz4 n ILE 705 Cb 0.53 -2.13 -0.06 0.00 0.54 0.00 0.00 39.64 38.52 3kz4 n ILE 705 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3kz4 s ALA 706 N -1.88 3.38 -0.16 1.51 0.00 -1.26 -3.49 121.76 119.87 3kz4 s ALA 706 Ca 0.32 -0.87 -0.04 0.00 0.00 0.00 0.00 51.96 51.37 3kz4 s ALA 706 Cb 0.05 -3.34 -0.15 0.00 0.00 0.00 0.00 23.12 19.68 3kz4 s ALA 706 CO -0.10 -1.61 2.45 0.66 0.00 0.00 0.00 175.76 177.15 3kz4 n TYR 707 N 6.40 0.24 -3.62 0.00 4.02 -1.26 -4.19 117.16 118.75 3kz4 n TYR 707 Ca 0.01 -1.14 -0.14 0.00 -0.01 0.00 0.00 57.90 56.62 3kz4 n TYR 707 Cb 0.48 -1.26 -0.13 0.00 -0.02 0.00 0.00 39.34 38.41 3kz4 n TYR 707 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 3kz4 s ARG 708 N 1.97 0.15 0.49 -0.72 6.06 -1.26 -5.10 118.95 120.54 3kz4 s ARG 708 Ca 0.43 0.64 -0.18 0.00 -2.50 0.00 0.00 55.73 54.11 3kz4 s ARG 708 Cb 0.19 -0.26 -0.15 0.00 0.06 0.00 0.00 34.95 34.79 3kz4 s ARG 708 CO -0.01 -0.36 -0.07 -0.25 -2.50 0.00 0.00 175.30 172.11 3kz4 n ASP 709 N 5.35 -3.47 -3.59 -2.12 9.92 -1.26 -4.72 116.55 116.66 3kz4 n ASP 709 Ca -0.06 0.68 -0.05 0.00 -0.53 0.00 0.00 54.79 54.83 3kz4 n ASP 709 Cb 0.50 -0.86 -0.03 0.00 -0.64 0.00 0.00 41.12 40.08 3kz4 n ASP 709 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3kz4 s MET 710 N -1.03 0.37 1.16 -1.24 0.23 -0.25 -4.90 119.30 113.65 3kz4 s MET 710 Ca 0.58 -0.07 -0.13 0.00 -1.03 0.00 0.00 55.69 55.03 3kz4 s MET 710 Cb -0.52 0.17 0.28 0.00 -1.53 0.00 0.00 34.83 33.24 3kz4 s MET 710 CO 0.65 -0.15 1.03 -0.65 -2.03 0.00 0.00 175.02 173.87 3kz4 s GLN 711 N -2.05 -0.91 -0.01 3.16 -0.21 -1.25 -1.13 119.66 117.25 3kz4 s GLN 711 Ca 0.07 0.71 0.02 0.00 0.02 0.00 0.00 55.36 56.18 3kz4 s GLN 711 Cb -0.01 -1.56 0.00 0.00 1.00 0.00 0.00 33.01 32.44 3kz4 s GLN 711 CO -0.05 -3.69 -0.06 -0.51 -2.12 0.00 0.00 175.29 168.87 3kz4 s LEU 712 N -7.16 1.83 0.75 2.90 1.43 -1.25 -4.80 118.68 112.38 3kz4 s LEU 712 Ca 0.68 -0.12 -0.15 0.00 -1.03 0.00 0.00 54.13 53.51 3kz4 s LEU 712 Cb -0.24 -0.37 0.02 0.00 0.03 0.00 0.00 46.19 45.63 3kz4 s LEU 712 CO 0.64 0.05 0.93 -0.62 0.23 0.00 0.00 176.35 177.57 3kz4 n GLU 713 N 3.22 0.39 -0.38 1.70 1.02 -1.22 -4.70 120.64 120.67 3kz4 n GLU 713 Ca -0.16 0.19 0.08 0.00 -0.02 0.00 0.00 57.16 57.25 3kz4 n GLU 713 Cb 0.56 -2.20 0.26 0.00 -0.02 0.00 0.00 31.44 30.04 3kz4 n GLU 713 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3kz4 n ARG 714 N -1.97 3.10 -0.27 3.49 1.74 -1.26 -2.75 116.66 118.73 3kz4 n ARG 714 Ca 0.12 -2.52 -0.09 0.00 -0.77 0.00 0.00 57.85 54.59 3kz4 n ARG 714 Cb 0.50 -1.59 -0.00 0.00 -1.02 0.00 0.00 32.46 30.35 3kz4 n ARG 714 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3kz4 n ASP 715 N 0.77 -0.35 -0.21 0.55 8.00 -1.26 -4.57 116.55 119.48 3kz4 n ASP 715 Ca 0.20 0.21 -0.08 0.00 0.71 0.00 0.00 54.79 55.82 3kz4 n ASP 715 Cb 0.66 -0.19 0.03 0.00 -0.02 0.00 0.00 41.12 41.60 3kz4 n ASP 715 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 3kz4 h GLU 716 N 0.16 0.96 0.06 -1.24 4.11 -1.92 -3.31 114.58 113.39 3kz4 h GLU 716 Ca -0.06 -0.23 0.01 0.00 0.07 0.00 0.00 59.36 59.14 3kz4 h GLU 716 Cb 0.29 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3kz4 h GLU 716 CO 0.11 0.88 -0.26 0.00 0.07 0.00 0.00 179.01 179.81 3kz4 h MET 717 N 0.87 -0.36 -6.80 1.06 -0.00 -1.87 -1.22 114.93 106.61 3kz4 h MET 717 Ca 0.19 0.02 -0.46 0.00 -0.00 0.00 0.00 59.70 59.46 3kz4 h MET 717 Cb 0.36 0.08 0.05 0.00 -0.00 0.00 0.00 31.60 32.09 3kz4 h MET 717 CO 0.00 -0.24 -0.05 0.71 -0.00 0.00 0.00 176.91 177.33 3kz4 s TYR 718 N -4.37 2.10 0.00 -0.10 1.51 -1.25 -4.49 117.35 110.75 3kz4 s TYR 718 Ca -0.08 -0.34 0.00 0.00 -1.01 0.00 0.00 57.07 55.64 3kz4 s TYR 718 Cb 0.03 -2.62 0.00 0.00 -0.11 0.00 0.00 41.96 39.26 3kz4 s TYR 718 CO 0.30 -1.12 0.00 0.41 -1.11 0.00 0.00 175.55 174.03 3kz4 n GLY 719 N -2.38 -0.93 3.65 0.71 0.00 -1.25 -4.60 105.19 100.40 3kz4 n GLY 719 Ca 0.12 -1.69 -0.43 0.00 0.00 0.00 0.00 46.02 44.02 3kz4 n GLY 719 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kz4 s TYR 720 N -0.80 3.01 0.00 1.61 -0.85 -1.08 -4.62 117.35 114.63 3kz4 s TYR 720 Ca 0.00 1.16 0.00 0.00 -0.52 0.00 0.00 57.07 57.71 3kz4 s TYR 720 Cb 0.00 -3.51 0.00 0.00 0.38 0.00 0.00 41.96 38.83 3kz4 s TYR 720 CO 0.00 -1.21 0.00 0.28 -1.52 0.00 0.00 175.55 173.10 3kz4 n VAL 721 N 5.54 0.00 -2.64 -3.49 0.31 -1.11 -4.38 118.33 112.55 3kz4 n VAL 721 Ca 0.13 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 64.03 3kz4 n VAL 721 Cb 0.46 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.38 3kz4 n VAL 721 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 3kz4 s ASN 722 N -0.95 6.80 0.05 4.52 -0.87 -1.26 -3.39 114.94 119.84 3kz4 s ASN 722 Ca 0.00 -2.31 -0.03 0.00 -1.57 0.00 0.00 52.86 48.94 3kz4 s ASN 722 Cb 0.00 -2.54 -0.02 0.00 -0.02 0.00 0.00 41.25 38.66 3kz4 s ASN 722 CO 0.00 -1.17 0.04 -0.63 -2.57 0.00 0.00 177.10 172.77 3kz4 s ILE 723 N 3.93 0.17 -0.29 0.60 1.09 -1.26 -0.50 121.20 124.94 3kz4 s ILE 723 Ca 0.50 -1.37 0.01 0.00 -1.10 0.00 0.00 60.65 58.68 3kz4 s ILE 723 Cb 0.02 -1.12 0.19 0.00 -1.06 0.00 0.00 42.46 40.48 3kz4 s ILE 723 CO 0.03 -0.76 0.57 0.00 -0.10 0.00 0.00 174.94 174.68 3kz4 s ALA 724 N -3.15 -2.15 -2.00 9.38 0.00 -0.85 -4.57 121.76 118.42 3kz4 s ALA 724 Ca -0.00 1.45 0.26 0.00 0.00 0.00 0.00 51.96 53.67 3kz4 s ALA 724 Cb 0.02 -2.23 1.53 0.00 0.00 0.00 0.00 23.12 22.43 3kz4 s ALA 724 CO -0.07 -1.49 1.92 0.54 0.00 0.00 0.00 175.76 176.65 3kz4 n ARG 725 N 5.42 0.88 0.00 0.00 1.74 -1.26 -4.07 116.66 119.37 3kz4 n ARG 725 Ca 0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.09 3kz4 n ARG 725 Cb 0.52 -1.45 0.00 0.00 -1.02 0.00 0.00 32.46 30.50 3kz4 n ARG 725 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3kz4 n ASN 726 N -0.95 4.36 -4.36 0.55 5.03 -1.26 -4.94 115.26 113.68 3kz4 n ASN 726 Ca 0.19 0.00 -0.38 0.00 0.87 0.00 0.00 54.58 55.26 3kz4 n ASN 726 Cb 0.09 0.81 -0.06 0.00 -1.02 0.00 0.00 39.78 39.60 3kz4 n ASN 726 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3kz4 n LEU 727 N -1.38 -1.29 -4.63 3.41 -0.00 -1.26 -4.78 117.00 107.07 3kz4 n LEU 727 Ca 0.00 -1.14 -0.43 0.00 -0.00 0.00 0.00 56.01 54.45 3kz4 n LEU 727 Cb 0.06 -1.84 -0.03 0.00 -0.00 0.00 0.00 43.42 41.62 3kz4 n LEU 727 CO 0.00 0.23 1.57 -1.81 -0.00 0.00 0.00 177.39 177.38 3kz4 s ASP 728 N -3.43 6.13 0.00 1.45 1.01 -1.26 -4.71 116.67 115.87 3kz4 s ASP 728 Ca 0.68 1.99 0.00 0.00 0.71 0.00 0.00 52.55 55.93 3kz4 s ASP 728 Cb -0.39 -2.53 0.00 0.00 1.01 0.00 0.00 42.92 41.02 3kz4 s ASP 728 CO 0.98 -1.41 0.00 0.61 0.21 0.00 0.00 175.17 175.56 3kz4 n GLY 729 N 4.95 -1.80 1.34 0.21 0.00 -1.26 -5.11 105.19 103.52 3kz4 n GLY 729 Ca 0.22 -1.96 0.16 0.00 0.00 0.00 0.00 46.02 44.44 3kz4 n GLY 729 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3kz4 n PHE 730 N 0.00 -3.37 -2.51 1.61 3.01 -1.26 -4.93 117.46 110.01 3kz4 n PHE 730 Ca 0.00 1.83 -0.24 0.00 1.01 0.00 0.00 57.45 60.05 3kz4 n PHE 730 Cb 0.00 -3.07 0.11 0.00 -0.01 0.00 0.00 39.48 36.51 3kz4 n PHE 730 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 3kz4 s GLN 731 N -3.99 1.69 0.26 -1.08 -0.21 -1.26 -4.96 119.66 110.10 3kz4 s GLN 731 Ca 0.00 -0.97 0.02 0.00 0.02 0.00 0.00 55.36 54.43 3kz4 s GLN 731 Cb 0.00 -2.29 -0.04 0.00 1.00 0.00 0.00 33.01 31.68 3kz4 s GLN 731 CO 0.00 -1.46 0.18 -0.65 -2.12 0.00 0.00 175.29 171.24 3kz4 s GLN 732 N -5.18 1.44 -0.30 2.91 -0.21 -1.26 -2.68 119.66 114.37 3kz4 s GLN 732 Ca 0.66 -1.80 -0.01 0.00 0.02 0.00 0.00 55.36 54.23 3kz4 s GLN 732 Cb -0.06 0.22 0.19 0.00 1.00 0.00 0.00 33.01 34.37 3kz4 s GLN 732 CO 0.45 -0.48 0.67 0.96 -2.12 0.00 0.00 175.29 174.76 3kz4 s ILE 733 N -3.85 -0.89 0.18 1.08 -4.36 -1.23 -4.94 121.20 107.19 3kz4 s ILE 733 Ca 0.39 0.00 -0.32 0.00 -0.26 0.00 0.00 60.65 60.46 3kz4 s ILE 733 Cb 0.05 -0.97 -0.12 0.00 1.25 0.00 0.00 42.46 42.68 3kz4 s ILE 733 CO 0.18 0.00 1.75 -3.20 0.24 0.00 0.00 174.94 173.91 3kz4 n ASN 734 N 5.42 3.98 0.03 4.36 2.85 -1.26 -3.27 115.26 127.36 3kz4 n ASN 734 Ca 0.00 1.04 -0.19 0.00 -0.11 0.00 0.00 54.58 55.32 3kz4 n ASN 734 Cb 0.52 -1.56 -0.11 0.00 1.24 0.00 0.00 39.78 39.88 3kz4 n ASN 734 CO 0.00 0.00 0.00 -0.07 -2.11 0.00 0.00 177.26 175.08 3kz4 h LEU 735 N 7.29 0.79 -0.58 1.20 3.38 -1.94 -2.60 115.31 122.84 3kz4 h LEU 735 Ca -0.44 -0.75 0.10 0.00 0.09 0.00 0.00 57.88 56.88 3kz4 h LEU 735 Cb 1.21 -0.24 -0.08 0.00 0.09 0.00 0.00 40.66 41.64 3kz4 h LEU 735 CO 0.95 1.43 0.14 -0.08 0.09 0.00 0.00 178.44 180.98 3kz4 h GLU 736 N 0.22 0.28 0.00 1.13 4.81 -1.90 1.20 114.58 120.32 3kz4 h GLU 736 Ca -0.11 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.10 3kz4 h GLU 736 Cb 1.58 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.89 3kz4 h GLU 736 CO 0.18 0.18 0.00 -0.85 -0.73 0.00 0.00 179.01 177.79 3kz4 n GLU 737 N -5.10 0.95 0.00 1.92 0.28 -1.19 -3.41 120.64 114.10 3kz4 n GLU 737 Ca 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.08 3kz4 n GLU 737 Cb 0.30 -1.15 0.00 0.00 1.43 0.00 0.00 31.44 32.02 3kz4 n GLU 737 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 3kz4 n LEU 738 N -0.65 0.23 0.00 -1.84 7.94 0.41 -3.10 117.00 119.99 3kz4 n LEU 738 Ca 0.07 0.04 0.00 0.00 -1.11 0.00 0.00 56.01 55.01 3kz4 n LEU 738 Cb 0.03 -0.26 0.00 0.00 0.53 0.00 0.00 43.42 43.72 3kz4 n LEU 738 CO 0.05 -0.26 0.14 1.15 -1.11 0.00 0.00 177.39 177.37 3kz4 n MET 739 N -1.89 0.00 -0.12 1.96 0.00 -0.70 0.93 117.12 117.29 3kz4 n MET 739 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 57.70 57.47 3kz4 n MET 739 Cb 0.00 -1.47 -0.08 0.00 0.00 0.00 0.00 33.22 31.67 3kz4 n MET 739 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 3kz4 n ARG 740 N -0.78 0.57 0.04 3.17 0.63 -1.22 -4.47 116.66 114.61 3kz4 n ARG 740 Ca 0.00 0.25 0.07 0.00 -0.92 0.00 0.00 57.85 57.26 3kz4 n ARG 740 Cb 0.00 -1.48 0.32 0.00 0.45 0.00 0.00 32.46 31.76 3kz4 n ARG 740 CO 0.00 0.00 0.00 -2.37 -2.51 0.00 0.00 177.63 172.75 3kz4 n THR 741 N -4.32 1.12 -1.31 5.15 5.66 0.27 -4.86 114.28 115.99 3kz4 n THR 741 Ca -0.41 0.32 0.00 0.00 -3.05 0.00 0.00 64.05 60.91 3kz4 n THR 741 Cb 0.76 -1.17 0.00 0.00 -1.55 0.00 0.00 70.33 68.37 3kz4 n THR 741 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3kz4 n GLY 742 N -0.33 0.43 1.95 1.09 0.00 -0.41 -4.69 105.19 103.23 3kz4 n GLY 742 Ca 0.02 -0.96 0.00 0.00 0.00 0.00 0.00 46.02 45.08 3kz4 n GLY 742 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3kz4 n ASP 743 N 1.89 -2.34 -2.27 1.61 2.03 -1.21 -4.75 116.55 111.51 3kz4 n ASP 743 Ca 0.00 1.18 -0.23 0.00 0.52 0.00 0.00 54.79 56.26 3kz4 n ASP 743 Cb 0.18 -2.42 -0.02 0.00 -0.72 0.00 0.00 41.12 38.14 3kz4 n ASP 743 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 3kz4 n TYR 744 N 1.86 1.61 -0.30 -0.67 4.02 -1.26 -4.77 117.16 117.65 3kz4 n TYR 744 Ca 0.00 -1.98 -0.00 0.00 -0.01 0.00 0.00 57.90 55.90 3kz4 n TYR 744 Cb 0.00 -1.23 -0.00 0.00 -0.02 0.00 0.00 39.34 38.08 3kz4 n TYR 744 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3kz4 n ALA 745 N 0.64 -0.01 0.17 -0.72 0.00 -1.26 -4.62 120.51 114.72 3kz4 n ALA 745 Ca 0.43 0.01 -0.13 0.00 0.00 0.00 0.00 53.44 53.74 3kz4 n ALA 745 Cb 0.57 -0.31 -0.08 0.00 0.00 0.00 0.00 19.45 19.63 3kz4 n ALA 745 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3kz4 h GLN 746 N 0.00 -0.44 -0.28 0.00 4.15 -1.99 -0.07 115.11 116.47 3kz4 h GLN 746 Ca -0.01 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.44 3kz4 h GLN 746 Cb 0.19 0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.97 3kz4 h GLN 746 CO 0.01 -0.13 0.18 0.97 -1.93 0.00 0.00 178.83 177.94 3kz4 h ILE 747 N -0.78 1.06 -0.89 2.39 2.10 -1.96 -1.78 117.51 117.64 3kz4 h ILE 747 Ca -0.05 -0.13 0.20 0.00 1.08 0.00 0.00 64.86 65.96 3kz4 h ILE 747 Cb 0.51 0.66 -0.12 0.00 -1.09 0.00 0.00 36.82 36.79 3kz4 h ILE 747 CO 0.08 0.07 0.43 0.74 -1.08 0.00 0.00 178.15 178.38 3kz4 h THR 748 N 0.37 0.56 0.14 2.19 2.02 -1.87 0.77 112.91 117.09 3kz4 h THR 748 Ca 0.10 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.11 3kz4 h THR 748 Cb -0.04 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.41 3kz4 h THR 748 CO -0.03 0.09 -0.07 -1.13 0.37 0.00 0.00 175.52 174.75 3kz4 h ASN 749 N 0.49 -0.16 -0.95 4.18 -0.73 -0.46 -2.21 115.58 115.74 3kz4 h ASN 749 Ca 0.54 -0.38 0.10 0.00 1.87 0.00 0.00 56.30 58.43 3kz4 h ASN 749 Cb 0.95 0.04 -0.08 0.00 0.27 0.00 0.00 38.32 39.51 3kz4 h ASN 749 CO -0.47 0.36 0.59 0.24 -0.37 0.00 0.00 177.43 177.78 3kz4 h MET 750 N -0.77 0.95 -0.18 6.67 0.00 -0.71 0.22 114.93 121.12 3kz4 h MET 750 Ca -0.02 -0.06 -0.02 0.00 0.00 0.00 0.00 59.70 59.60 3kz4 h MET 750 Cb 0.53 -0.21 -0.01 0.00 0.00 0.00 0.00 31.60 31.91 3kz4 h MET 750 CO 0.03 0.63 0.02 1.25 0.00 0.00 0.00 176.91 178.85 3kz4 h LEU 751 N 0.98 0.28 -0.37 1.22 5.85 -0.92 0.06 115.31 122.42 3kz4 h LEU 751 Ca 0.45 -0.27 0.04 0.00 0.84 0.00 0.00 57.88 58.95 3kz4 h LEU 751 Cb 0.37 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 3kz4 h LEU 751 CO -0.24 0.48 0.14 0.25 -0.34 0.00 0.00 178.44 178.73 3kz4 h LEU 752 N 0.08 0.15 -0.14 2.25 5.85 -0.56 -2.62 115.31 120.31 3kz4 h LEU 752 Ca 0.05 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3kz4 h LEU 752 Cb 0.32 0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.37 3kz4 h LEU 752 CO 0.00 0.12 -0.08 0.59 -0.34 0.00 0.00 178.44 178.74 3kz4 n ASN 753 N -5.01 0.30 -2.87 1.25 3.02 0.66 -5.00 115.26 107.62 3kz4 n ASN 753 Ca 0.01 -0.42 -0.05 0.00 -0.03 0.00 0.00 54.58 54.09 3kz4 n ASN 753 Cb 0.13 -0.14 0.01 0.00 -0.61 0.00 0.00 39.78 39.17 3kz4 n ASN 753 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3kz4 n ASN 754 N -1.08 -7.70 -3.94 6.41 3.02 -0.00 -5.04 115.26 106.93 3kz4 n ASN 754 Ca 0.14 0.93 -0.18 0.00 -0.03 0.00 0.00 54.58 55.44 3kz4 n ASN 754 Cb 0.26 -4.73 -0.15 0.00 -0.61 0.00 0.00 39.78 34.55 3kz4 n ASN 754 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 3kz4 s GLN 755 N -1.95 0.68 -0.16 3.52 -0.21 -1.14 -5.06 119.66 115.34 3kz4 s GLN 755 Ca 0.11 -0.17 -0.34 0.00 0.02 0.00 0.00 55.36 54.98 3kz4 s GLN 755 Cb -0.03 -0.68 -0.11 0.00 1.00 0.00 0.00 33.01 33.19 3kz4 s GLN 755 CO 0.71 0.03 1.96 -2.30 -2.12 0.00 0.00 175.29 173.57 3kz4 n PRO 756 N 3.49 1.93 -3.94 2.91 -0.02 -1.26 -4.90 135.00 133.21 3kz4 n PRO 756 Ca -0.20 0.67 -0.09 0.00 -2.02 0.00 0.00 63.50 61.87 3kz4 n PRO 756 Cb 0.54 -2.64 -0.03 0.00 -0.02 0.00 0.00 33.50 31.34 3kz4 n PRO 756 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3kz4 s VAL 757 N 4.98 0.00 0.29 -1.45 1.01 -1.23 -4.55 120.40 119.45 3kz4 s VAL 757 Ca 0.97 -1.24 0.02 0.00 0.00 0.00 0.00 61.98 61.73 3kz4 s VAL 757 Cb -0.71 -2.21 -0.05 0.00 0.00 0.00 0.00 36.38 33.42 3kz4 s VAL 757 CO 0.51 0.00 0.10 0.00 0.00 0.00 0.00 175.10 175.71 3kz4 s ALA 758 N -3.80 1.98 0.07 5.51 0.00 -1.09 -0.08 121.76 124.36 3kz4 s ALA 758 Ca 0.18 -1.84 0.01 0.00 0.00 0.00 0.00 51.96 50.31 3kz4 s ALA 758 Cb -0.03 0.96 -0.04 0.00 0.00 0.00 0.00 23.12 24.02 3kz4 s ALA 758 CO 0.09 -0.43 -0.06 -0.51 0.00 0.00 0.00 175.76 174.85 3kz4 s LEU 759 N -3.38 2.43 0.03 0.00 1.43 -0.88 -3.52 118.68 114.79 3kz4 s LEU 759 Ca 0.36 -0.87 0.02 0.00 -1.03 0.00 0.00 54.13 52.61 3kz4 s LEU 759 Cb 0.07 -0.05 -0.02 0.00 0.03 0.00 0.00 46.19 46.22 3kz4 s LEU 759 CO 0.15 -0.41 -0.07 -0.69 0.23 0.00 0.00 176.35 175.56 3kz4 s VAL 760 N -3.00 0.47 -1.96 -1.59 1.01 -1.20 -3.43 120.40 110.70 3kz4 s VAL 760 Ca 0.04 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.09 3kz4 s VAL 760 Cb 0.01 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.86 3kz4 s VAL 760 CO -0.04 -0.32 0.00 0.61 0.00 0.00 0.00 175.10 175.35 3kz4 n GLY 761 N 1.69 0.67 3.70 4.51 0.00 0.29 -2.91 105.19 113.14 3kz4 n GLY 761 Ca -0.21 -2.08 -0.42 0.00 0.00 0.00 0.00 46.02 43.30 3kz4 n GLY 761 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kz4 s ALA 762 N -1.61 3.47 -0.02 4.61 0.00 -1.26 -3.55 121.76 123.40 3kz4 s ALA 762 Ca 0.00 0.82 -0.10 0.00 0.00 0.00 0.00 51.96 52.69 3kz4 s ALA 762 Cb 0.00 -3.50 0.01 0.00 0.00 0.00 0.00 23.12 19.63 3kz4 s ALA 762 CO 0.00 -0.62 0.21 -0.51 0.00 0.00 0.00 175.76 174.84 3kz4 s LEU 763 N 1.60 1.23 -0.45 0.00 1.43 -1.26 -4.05 118.68 117.17 3kz4 s LEU 763 Ca 0.59 0.03 -0.22 0.00 -1.03 0.00 0.00 54.13 53.50 3kz4 s LEU 763 Cb -0.29 0.89 0.03 0.00 0.03 0.00 0.00 46.19 46.84 3kz4 s LEU 763 CO 0.27 -0.33 0.76 -2.84 0.23 0.00 0.00 176.35 174.43 3kz4 s PRO 764 N -1.04 3.36 0.67 1.29 0.02 -1.26 -2.34 135.00 135.71 3kz4 s PRO 764 Ca -0.11 -0.20 -0.10 0.00 0.02 0.00 0.00 61.00 60.61 3kz4 s PRO 764 Cb -0.06 -3.95 0.01 0.00 0.02 0.00 0.00 34.50 30.52 3kz4 s PRO 764 CO 0.02 -1.12 1.04 -0.59 -0.33 0.00 0.00 177.00 176.02 3kz4 s PHE 765 N 3.20 3.31 -0.20 6.54 -0.12 -1.26 -3.07 117.98 126.38 3kz4 s PHE 765 Ca 0.28 0.94 -0.04 0.00 -0.05 0.00 0.00 56.93 58.06 3kz4 s PHE 765 Cb -0.13 -2.96 0.10 0.00 -0.63 0.00 0.00 43.02 39.40 3kz4 s PHE 765 CO 0.21 -1.06 0.30 0.08 -0.05 0.00 0.00 175.22 174.70 3kz4 s VAL 766 N -3.25 -0.47 0.01 -2.49 1.01 -1.08 -4.88 120.40 109.26 3kz4 s VAL 766 Ca 0.57 0.01 -0.26 0.00 0.00 0.00 0.00 61.98 62.29 3kz4 s VAL 766 Cb -0.11 -0.67 -0.04 0.00 0.00 0.00 0.00 36.38 35.55 3kz4 s VAL 766 CO 0.50 -0.09 0.83 0.42 0.00 0.00 0.00 175.10 176.76 3kz4 s THR 767 N 2.45 4.83 0.15 3.92 -4.23 -1.26 -0.96 115.64 120.53 3kz4 s THR 767 Ca 0.07 1.74 0.05 0.00 -1.18 0.00 0.00 61.69 62.38 3kz4 s THR 767 Cb -0.15 -4.17 -0.04 0.00 1.34 0.00 0.00 72.50 69.48 3kz4 s THR 767 CO -0.13 0.27 -0.12 -0.62 -0.54 0.00 0.00 174.62 173.49 3kz4 s ASP 768 N 0.47 1.98 0.00 3.99 -1.08 -0.99 -4.97 116.67 116.06 3kz4 s ASP 768 Ca 0.43 -0.95 0.00 0.00 -0.52 0.00 0.00 52.55 51.51 3kz4 s ASP 768 Cb -0.20 -0.05 0.00 0.00 -1.46 0.00 0.00 42.92 41.21 3kz4 s ASP 768 CO 0.24 -0.25 0.00 -1.20 0.52 0.00 0.00 175.17 174.48 3kz4 n SER 769 N -0.00 0.00 -0.01 -0.34 7.64 -1.26 -3.02 113.62 116.62 3kz4 n SER 769 Ca -0.11 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.77 3kz4 n SER 769 Cb 0.59 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.79 3kz4 n SER 769 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3kz4 n SER 770 N -0.33 -0.00 0.00 6.43 7.64 -1.26 -4.60 113.62 121.49 3kz4 n SER 770 Ca 0.00 -0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 3kz4 n SER 770 Cb 0.00 -0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 3kz4 n SER 770 CO 0.00 0.00 0.00 0.55 -3.01 0.00 0.00 175.04 172.58 3kz4 n VAL 771 N 0.01 0.00 0.00 0.44 3.14 -1.26 -1.35 118.33 119.31 3kz4 n VAL 771 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3kz4 n VAL 771 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 3kz4 n VAL 771 CO 0.00 0.00 0.00 -0.38 -6.46 0.00 0.00 176.83 169.99 3kz4 n ILE 772 N -1.41 0.00 -0.10 1.55 5.41 -1.26 0.26 119.36 123.81 3kz4 n ILE 772 Ca 0.00 0.00 0.04 0.00 1.00 0.00 0.00 62.75 63.79 3kz4 n ILE 772 Cb 0.00 0.00 0.08 0.00 -0.71 0.00 0.00 39.64 39.01 3kz4 n ILE 772 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 3kz4 n SER 773 N -0.50 -0.03 0.17 4.38 7.64 -0.46 0.13 113.62 124.95 3kz4 n SER 773 Ca 0.00 0.47 -0.14 0.00 1.01 0.00 0.00 58.87 60.21 3kz4 n SER 773 Cb 0.00 -0.17 -0.08 0.00 -1.01 0.00 0.00 64.21 62.95 3kz4 n SER 773 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 3kz4 h LEU 774 N 0.00 -0.34 -0.86 -3.43 5.85 0.33 -1.38 115.31 115.49 3kz4 h LEU 774 Ca 0.17 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.87 3kz4 h LEU 774 Cb 0.35 0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 3kz4 h LEU 774 CO -0.26 -0.14 0.54 0.40 -0.34 0.00 0.00 178.44 178.64 3kz4 h ILE 775 N -0.52 1.07 0.00 4.05 2.04 0.90 0.88 117.51 125.93 3kz4 h ILE 775 Ca -0.04 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.48 3kz4 h ILE 775 Cb 0.39 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.45 3kz4 h ILE 775 CO 0.07 0.18 0.00 0.00 0.00 0.00 0.00 178.15 178.40 3kz4 n ALA 776 N -2.35 1.66 -2.71 1.87 0.00 -0.93 -4.81 120.51 113.24 3kz4 n ALA 776 Ca 0.12 -0.05 -0.20 0.00 0.00 0.00 0.00 53.44 53.31 3kz4 n ALA 776 Cb 0.15 -1.16 0.01 0.00 0.00 0.00 0.00 19.45 18.45 3kz4 n ALA 776 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3kz4 n LYS 777 N -1.24 -3.07 -0.31 0.00 4.81 0.30 -4.86 118.16 113.79 3kz4 n LYS 777 Ca 0.05 0.87 0.15 0.00 -0.87 0.00 0.00 58.31 58.51 3kz4 n LYS 777 Cb 0.07 -5.60 0.29 0.00 0.02 0.00 0.00 35.03 29.81 3kz4 n LYS 777 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3kz4 n LEU 778 N -3.41 -0.07 0.08 3.14 4.77 -0.54 -1.76 117.00 119.21 3kz4 n LEU 778 Ca -0.16 1.53 0.03 0.00 -0.03 0.00 0.00 56.01 57.38 3kz4 n LEU 778 Cb 0.64 -0.57 0.16 0.00 -2.33 0.00 0.00 43.42 41.32 3kz4 n LEU 778 CO 0.36 -1.57 0.64 -0.90 -1.33 0.00 0.00 177.39 174.59 3kz4 n ASP 779 N -5.30 0.15 0.00 -1.43 5.75 -1.26 -0.54 116.55 113.93 3kz4 n ASP 779 Ca 0.22 0.41 0.14 0.00 -0.01 0.00 0.00 54.79 55.55 3kz4 n ASP 779 Cb 0.74 -0.38 0.65 0.00 -1.03 0.00 0.00 41.12 41.10 3kz4 n ASP 779 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3kz4 n ALA 780 N -1.41 2.35 -1.00 2.12 0.00 -0.72 -4.53 120.51 117.32 3kz4 n ALA 780 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3kz4 n ALA 780 Cb 0.26 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.25 3kz4 n ALA 780 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3kz4 n THR 781 N -1.42 0.00 0.00 0.00 -1.04 0.30 -4.45 114.28 107.67 3kz4 n THR 781 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 3kz4 n THR 781 Cb 0.30 -0.14 0.00 0.00 -1.82 0.00 0.00 70.33 68.67 3kz4 n THR 781 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3kz4 n VAL 782 N 0.00 0.00 -0.58 12.58 0.31 -1.26 -1.51 118.33 127.86 3kz4 n VAL 782 Ca 0.00 0.00 0.46 0.00 -0.01 0.00 0.00 64.34 64.79 3kz4 n VAL 782 Cb 0.00 0.00 0.73 0.00 -0.91 0.00 0.00 33.84 33.66 3kz4 n VAL 782 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 3kz4 n PHE 783 N 0.00 0.30 -0.00 3.52 3.01 -1.26 -1.49 117.46 121.54 3kz4 n PHE 783 Ca 0.00 0.30 -0.03 0.00 1.01 0.00 0.00 57.45 58.74 3kz4 n PHE 783 Cb 0.00 -0.76 -0.02 0.00 -0.01 0.00 0.00 39.48 38.69 3kz4 n PHE 783 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3kz4 h ALA 784 N 1.21 -0.49 0.00 4.37 0.00 -1.51 -3.29 119.26 119.55 3kz4 h ALA 784 Ca 0.88 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.78 3kz4 h ALA 784 Cb 3.24 0.66 0.00 0.00 0.00 0.00 0.00 17.79 21.70 3kz4 h ALA 784 CO -0.21 -0.53 0.00 1.04 0.00 0.00 0.00 179.25 179.56 3kz4 n GLN 785 N -3.07 0.00 0.00 0.00 1.13 -0.56 -1.43 117.38 113.45 3kz4 n GLN 785 Ca -0.01 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 3kz4 n GLN 785 Cb 0.06 0.00 0.00 0.00 0.11 0.00 0.00 30.24 30.41 3kz4 n GLN 785 CO 0.00 0.00 0.00 -0.89 -1.44 0.00 0.00 177.06 174.73 3kz4 n ILE 786 N 0.00 0.00 -0.24 5.09 5.41 -1.24 0.59 119.36 128.97 3kz4 n ILE 786 Ca 0.00 0.00 0.23 0.00 1.00 0.00 0.00 62.75 63.98 3kz4 n ILE 786 Cb 0.00 0.00 0.42 0.00 -0.71 0.00 0.00 39.64 39.35 3kz4 n ILE 786 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 3kz4 n VAL 787 N -0.24 -0.31 0.08 1.39 0.31 -0.51 0.26 118.33 119.29 3kz4 n VAL 787 Ca 0.00 1.53 -0.03 0.00 -0.01 0.00 0.00 64.34 65.83 3kz4 n VAL 787 Cb 0.00 -2.47 -0.07 0.00 -0.91 0.00 0.00 33.84 30.40 3kz4 n VAL 787 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 3kz4 h LYS 788 N 0.00 0.00 -4.40 5.55 1.57 -0.06 -3.42 116.57 115.80 3kz4 h LYS 788 Ca 0.62 0.00 -0.64 0.00 -1.87 0.00 0.00 60.65 58.76 3kz4 h LYS 788 Cb 1.62 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.53 3kz4 h LYS 788 CO -0.59 0.75 -0.73 -0.51 -0.57 0.00 0.00 179.45 177.80 3kz4 s LEU 789 N -6.53 4.11 0.25 2.94 1.43 0.71 -5.00 118.68 116.59 3kz4 s LEU 789 Ca 0.01 -2.01 0.05 0.00 -1.03 0.00 0.00 54.13 51.15 3kz4 s LEU 789 Cb 0.09 -1.43 0.69 0.00 0.03 0.00 0.00 46.19 45.57 3kz4 s LEU 789 CO 0.79 -0.39 1.20 0.54 0.23 0.00 0.00 176.35 178.73 3kz4 n ARG 790 N 4.41 -0.06 -3.54 1.70 5.12 -1.23 -4.37 116.66 118.69 3kz4 n ARG 790 Ca 0.02 1.12 -0.28 0.00 -1.93 0.00 0.00 57.85 56.78 3kz4 n ARG 790 Cb 0.42 -1.84 -0.03 0.00 -1.16 0.00 0.00 32.46 29.85 3kz4 n ARG 790 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 3kz4 s LYS 791 N -5.56 3.58 -0.04 5.56 1.02 -1.26 -4.83 119.74 118.21 3kz4 s LYS 791 Ca -0.09 -0.17 -0.02 0.00 0.02 0.00 0.00 55.97 55.71 3kz4 s LYS 791 Cb 0.23 -2.75 0.02 0.00 -0.52 0.00 0.00 37.83 34.81 3kz4 s LYS 791 CO 0.60 0.32 0.08 0.14 -0.92 0.00 0.00 175.35 175.57 3kz4 s VAL 792 N -1.95 -0.03 0.00 3.17 -7.23 -1.26 -4.82 120.40 108.27 3kz4 s VAL 792 Ca 0.41 0.12 0.00 0.00 -1.81 0.00 0.00 61.98 60.70 3kz4 s VAL 792 Cb -0.11 -0.14 0.00 0.00 0.56 0.00 0.00 36.38 36.69 3kz4 s VAL 792 CO 0.29 0.05 0.00 0.47 -0.31 0.00 0.00 175.10 175.60 3kz4 n ASP 793 N 3.76 0.00 0.00 4.85 9.92 -1.26 -4.76 116.55 129.06 3kz4 n ASP 793 Ca -0.21 0.00 0.02 0.00 -0.53 0.00 0.00 54.79 54.07 3kz4 n ASP 793 Cb 0.54 0.00 0.12 0.00 -0.64 0.00 0.00 41.12 41.14 3kz4 n ASP 793 CO 0.00 0.00 0.00 0.41 0.13 0.00 0.00 177.20 177.74 3kz4 n THR 794 N -0.19 0.00 -3.12 -3.53 -1.04 -1.26 -4.42 114.28 100.72 3kz4 n THR 794 Ca 0.00 0.00 -0.45 0.00 -2.04 0.00 0.00 64.05 61.56 3kz4 n THR 794 Cb 0.00 -0.49 -0.05 0.00 -1.82 0.00 0.00 70.33 67.97 3kz4 n THR 794 CO 0.00 0.00 0.00 -0.22 -0.64 0.00 0.00 175.07 174.21 3kz4 s LEU 795 N -1.35 5.38 -0.60 -4.42 2.96 -1.26 -4.97 118.68 114.41 3kz4 s LEU 795 Ca 0.06 -1.41 -0.09 0.00 -0.22 0.00 0.00 54.13 52.48 3kz4 s LEU 795 Cb 0.03 -2.31 0.15 0.00 0.50 0.00 0.00 46.19 44.56 3kz4 s LEU 795 CO 0.05 -1.10 0.47 -0.54 -1.32 0.00 0.00 176.35 173.91 3kz4 s LYS 796 N 2.67 2.78 0.89 1.98 1.02 -1.26 -4.59 119.74 123.22 3kz4 s LYS 796 Ca 0.12 -2.14 -0.11 0.00 0.02 0.00 0.00 55.97 53.86 3kz4 s LYS 796 Cb -0.24 -4.00 0.13 0.00 -0.52 0.00 0.00 37.83 33.20 3kz4 s LYS 796 CO 0.06 -1.22 1.17 -2.30 -0.92 0.00 0.00 175.35 172.15 3kz4 n PRO 797 N 4.31 -0.29 -4.19 -1.68 -0.02 -1.17 -4.87 135.00 127.08 3kz4 n PRO 797 Ca 0.01 -0.01 -0.35 0.00 -2.02 0.00 0.00 63.50 61.13 3kz4 n PRO 797 Cb 0.41 -2.40 -0.08 0.00 -0.02 0.00 0.00 33.50 31.42 3kz4 n PRO 797 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3kz4 s ILE 798 N -2.50 4.71 0.12 4.25 1.01 -1.26 -2.65 121.20 124.88 3kz4 s ILE 798 Ca 0.69 -0.16 0.05 0.00 0.00 0.00 0.00 60.65 61.23 3kz4 s ILE 798 Cb -0.25 -3.04 -0.04 0.00 0.01 0.00 0.00 42.46 39.15 3kz4 s ILE 798 CO 0.56 0.56 -0.13 -0.22 0.00 0.00 0.00 174.94 175.71 3kz4 s LEU 799 N -1.10 2.41 -0.53 2.97 0.20 -0.13 -4.87 118.68 117.63 3kz4 s LEU 799 Ca 0.16 -0.82 0.06 0.00 0.69 0.00 0.00 54.13 54.22 3kz4 s LEU 799 Cb -0.12 -0.47 0.23 0.00 -0.43 0.00 0.00 46.19 45.40 3kz4 s LEU 799 CO 0.05 -0.19 0.59 -1.22 -0.29 0.00 0.00 176.35 175.29 3kz4 n TYR 800 N 0.49 1.59 -1.53 5.38 4.02 -1.26 -2.35 117.16 123.49 3kz4 n TYR 800 Ca -0.15 -3.86 -0.46 0.00 -0.01 0.00 0.00 57.90 53.42 3kz4 n TYR 800 Cb 0.57 -0.40 -0.05 0.00 -0.02 0.00 0.00 39.34 39.45 3kz4 n TYR 800 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 3kz4 n LYS 801 N 1.41 1.59 -3.95 -0.72 4.81 -1.17 -4.53 118.16 115.60 3kz4 n LYS 801 Ca 0.25 0.44 -0.22 0.00 -0.87 0.00 0.00 58.31 57.91 3kz4 n LYS 801 Cb 0.46 -2.89 -0.17 0.00 0.02 0.00 0.00 35.03 32.44 3kz4 n LYS 801 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 3kz4 s ILE 802 N 7.79 0.55 -0.28 3.15 2.07 -1.26 -4.55 121.20 128.66 3kz4 s ILE 802 Ca 1.04 -0.04 0.02 0.00 -1.41 0.00 0.00 60.65 60.26 3kz4 s ILE 802 Cb -0.57 -0.63 0.17 0.00 0.13 0.00 0.00 42.46 41.56 3kz4 s ILE 802 CO 0.42 0.27 0.49 0.54 -1.91 0.00 0.00 174.94 174.74 3kz4 s ASN 803 N 1.53 -0.52 0.00 4.50 4.22 -1.26 -2.62 114.94 120.79 3kz4 s ASN 803 Ca -0.01 0.07 0.00 0.00 -2.14 0.00 0.00 52.86 50.78 3kz4 s ASN 803 Cb -0.13 1.55 0.00 0.00 1.28 0.00 0.00 41.25 43.95 3kz4 s ASN 803 CO -0.04 -0.32 0.30 -1.54 -2.04 0.00 0.00 177.10 173.47 3kz4 n SER 804 N 5.39 0.00 0.25 3.54 3.41 -1.26 -0.70 113.62 124.24 3kz4 n SER 804 Ca 0.01 0.03 -0.10 0.00 -0.26 0.00 0.00 58.87 58.55 3kz4 n SER 804 Cb 0.51 -0.03 -0.05 0.00 -0.26 0.00 0.00 64.21 64.38 3kz4 n SER 804 CO 0.00 0.00 0.00 -0.78 -0.16 0.00 0.00 175.04 174.10 3kz4 h ASP 805 N 0.00 -0.58 0.77 4.04 1.82 -1.95 -3.36 116.42 117.17 3kz4 h ASP 805 Ca 0.00 0.02 0.00 0.00 -0.39 0.00 0.00 57.03 56.66 3kz4 h ASP 805 Cb 0.06 0.15 0.00 0.00 0.68 0.00 0.00 39.33 40.22 3kz4 h ASP 805 CO 0.00 -0.17 -0.96 -1.20 -1.61 0.00 0.00 179.24 175.30 3kz4 n SER 806 N -5.21 0.71 -4.46 2.28 7.64 0.12 -4.69 113.62 110.00 3kz4 n SER 806 Ca -0.08 0.13 -0.44 0.00 1.01 0.00 0.00 58.87 59.49 3kz4 n SER 806 Cb 0.27 0.54 -0.03 0.00 -1.01 0.00 0.00 64.21 63.98 3kz4 n SER 806 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3kz4 s ASN 807 N -4.66 6.57 0.28 6.43 0.01 -0.66 -4.88 114.94 118.03 3kz4 s ASN 807 Ca 0.02 -1.89 0.00 0.00 -0.71 0.00 0.00 52.86 50.28 3kz4 s ASN 807 Cb 0.12 -2.42 0.00 0.00 0.41 0.00 0.00 41.25 39.36 3kz4 s ASN 807 CO 0.78 -1.14 0.48 -0.90 -1.51 0.00 0.00 177.10 174.81 3kz4 n ASP 808 N 6.88 0.00 -4.15 -1.22 5.75 -1.26 -2.66 116.55 119.89 3kz4 n ASP 808 Ca 0.22 0.21 -0.41 0.00 -0.01 0.00 0.00 54.79 54.81 3kz4 n ASP 808 Cb 0.49 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.56 3kz4 n ASP 808 CO 0.00 0.00 0.00 0.49 -0.11 0.00 0.00 177.20 177.58 3kz4 n PHE 809 N -1.36 4.28 0.05 2.11 3.01 -1.26 -4.72 117.46 119.56 3kz4 n PHE 809 Ca 0.00 -3.74 -0.02 0.00 1.01 0.00 0.00 57.45 54.69 3kz4 n PHE 809 Cb 0.48 -1.38 -0.08 0.00 -0.01 0.00 0.00 39.48 38.49 3kz4 n PHE 809 CO 0.00 0.00 0.00 0.10 1.01 0.00 0.00 176.76 177.87 3kz4 h TYR 810 N 6.06 0.00 -0.43 1.38 -0.00 -1.72 -3.40 116.97 118.85 3kz4 h TYR 810 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 58.73 59.04 3kz4 h TYR 810 Cb 0.79 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.49 3kz4 h TYR 810 CO 0.79 0.70 0.30 1.28 -0.00 0.00 0.00 178.16 181.22 3kz4 n LEU 811 N -3.04 0.02 -0.02 0.10 4.77 -1.26 0.16 117.00 117.73 3kz4 n LEU 811 Ca -0.08 0.30 -0.15 0.00 -0.03 0.00 0.00 56.01 56.05 3kz4 n LEU 811 Cb 0.87 -0.15 -0.14 0.00 -2.33 0.00 0.00 43.42 41.68 3kz4 n LEU 811 CO 0.43 -0.31 -0.77 0.52 -1.33 0.00 0.00 177.39 175.93 3kz4 n VAL 812 N -2.78 1.66 0.09 4.08 0.31 -1.26 -3.77 118.33 116.65 3kz4 n VAL 812 Ca 0.11 -0.72 0.19 0.00 -0.01 0.00 0.00 64.34 63.90 3kz4 n VAL 812 Cb 0.46 -1.33 0.73 0.00 -0.91 0.00 0.00 33.84 32.79 3kz4 n VAL 812 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kz4 h ALA 813 N 0.51 2.22 -3.00 3.52 0.00 0.12 -3.31 119.26 119.31 3kz4 h ALA 813 Ca -0.39 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3kz4 h ALA 813 Cb 2.03 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.85 3kz4 h ALA 813 CO 0.07 -0.52 0.00 -1.71 0.00 0.00 0.00 179.25 177.09 3kz4 n ASN 814 N -4.12 0.00 0.00 0.00 2.85 -1.10 -3.84 115.26 109.04 3kz4 n ASN 814 Ca 0.06 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.53 3kz4 n ASN 814 Cb 0.50 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.52 3kz4 n ASN 814 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 3kz4 n TYR 815 N 0.00 0.00 0.00 1.20 4.02 -1.25 -4.74 117.16 116.39 3kz4 n TYR 815 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3kz4 n TYR 815 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 3kz4 n TYR 815 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 3kz4 n ASP 816 N -0.56 0.00 -3.32 7.72 2.03 -1.25 -5.20 116.55 115.97 3kz4 n ASP 816 Ca 0.00 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.27 3kz4 n ASP 816 Cb 0.00 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.41 3kz4 n ASP 816 CO 0.00 0.00 0.00 0.86 -1.92 0.00 0.00 177.20 176.14 3kz4 s TRP 817 N -1.30 0.05 -0.25 -0.67 -0.00 -1.26 -4.97 118.94 110.54 3kz4 s TRP 817 Ca 0.00 -0.50 -0.06 0.00 -0.00 0.00 0.00 56.10 55.54 3kz4 s TRP 817 Cb 0.00 0.73 0.13 0.00 -0.00 0.00 0.00 33.47 34.32 3kz4 s TRP 817 CO 0.00 -1.06 0.51 0.08 -0.00 0.00 0.00 176.95 176.47 3kz4 s VAL 818 N -2.38 -0.80 -0.69 5.86 1.01 -1.26 -5.13 120.40 117.01 3kz4 s VAL 818 Ca 0.19 0.05 -0.28 0.00 0.00 0.00 0.00 61.98 61.94 3kz4 s VAL 818 Cb -0.03 -0.84 -0.13 0.00 0.00 0.00 0.00 36.38 35.38 3kz4 s VAL 818 CO 0.06 0.00 2.53 -2.65 0.00 0.00 0.00 175.10 175.05 3kz4 n PRO 819 N 5.41 0.63 -2.95 2.72 -0.02 -1.26 -4.96 135.00 134.56 3kz4 n PRO 819 Ca -0.07 -0.01 -0.44 0.00 -2.02 0.00 0.00 63.50 60.96 3kz4 n PRO 819 Cb 0.50 -2.69 -0.04 0.00 -0.02 0.00 0.00 33.50 31.25 3kz4 n PRO 819 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3kz4 s THR 820 N 10.97 4.53 0.38 3.45 2.01 -1.26 -3.89 115.64 131.84 3kz4 s THR 820 Ca 1.13 -0.68 0.08 0.00 0.31 0.00 0.00 61.69 62.52 3kz4 s THR 820 Cb -0.60 -4.62 -0.05 0.00 0.01 0.00 0.00 72.50 67.24 3kz4 s THR 820 CO 0.35 -1.35 0.16 -0.55 -0.69 0.00 0.00 174.62 172.55 3kz4 s SER 821 N 3.65 4.50 -0.27 3.53 0.15 -0.29 -4.72 113.70 120.25 3kz4 s SER 821 Ca 0.19 -0.96 -0.01 0.00 0.70 0.00 0.00 55.95 55.87 3kz4 s SER 821 Cb -0.19 -0.56 0.08 0.00 -1.71 0.00 0.00 66.02 63.65 3kz4 s SER 821 CO 0.07 -0.45 0.06 -0.89 1.20 0.00 0.00 173.24 173.23 3kz4 s THR 822 N -2.53 0.98 0.00 6.45 2.01 -1.26 -1.09 115.64 120.20 3kz4 s THR 822 Ca 0.40 -1.24 0.00 0.00 0.31 0.00 0.00 61.69 61.16 3kz4 s THR 822 Cb 0.01 -1.61 0.00 0.00 0.01 0.00 0.00 72.50 70.91 3kz4 s THR 822 CO 0.23 -0.48 0.00 0.35 -0.69 0.00 0.00 174.62 174.02 3kz4 n THR 823 N 4.83 -0.54 -1.89 -0.82 -2.24 -1.26 -4.77 114.28 107.60 3kz4 n THR 823 Ca -0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 3kz4 n THR 823 Cb 0.43 -0.96 0.00 0.00 -2.10 0.00 0.00 70.33 67.70 3kz4 n THR 823 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 3kz4 n LYS 824 N 0.14 1.30 -4.43 -0.78 2.85 -1.24 -4.84 118.16 111.15 3kz4 n LYS 824 Ca 0.00 0.00 -0.20 0.00 -1.05 0.00 0.00 58.31 57.06 3kz4 n LYS 824 Cb 0.00 0.00 -0.15 0.00 -0.65 0.00 0.00 35.03 34.23 3kz4 n LYS 824 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 3kz4 s VAL 825 N 0.69 0.83 -0.30 0.58 1.01 0.35 -2.91 120.40 120.64 3kz4 s VAL 825 Ca 0.00 -0.41 -0.29 0.00 0.00 0.00 0.00 61.98 61.28 3kz4 s VAL 825 Cb 0.00 -0.71 0.01 0.00 0.00 0.00 0.00 36.38 35.68 3kz4 s VAL 825 CO 0.00 0.25 1.13 -0.47 0.00 0.00 0.00 175.10 176.00 3kz4 s TYR 826 N -0.02 3.05 -0.30 5.22 5.04 0.17 -2.01 117.35 128.51 3kz4 s TYR 826 Ca 0.00 1.13 -0.19 0.00 -2.44 0.00 0.00 57.07 55.58 3kz4 s TYR 826 Cb -0.06 -3.71 0.18 0.00 0.35 0.00 0.00 41.96 38.72 3kz4 s TYR 826 CO 0.00 -0.99 1.28 0.21 -1.34 0.00 0.00 175.55 174.71 3kz4 s LYS 827 N 3.72 0.02 0.00 4.97 2.47 -1.26 -2.92 119.74 126.74 3kz4 s LYS 827 Ca 0.48 0.04 0.00 0.00 -1.56 0.00 0.00 55.97 54.93 3kz4 s LYS 827 Cb -0.14 0.02 0.00 0.00 -1.46 0.00 0.00 37.83 36.26 3kz4 s LYS 827 CO 0.16 -0.01 0.00 1.04 0.16 0.00 0.00 175.35 176.70 3kz4 n GLN 828 N 5.03 1.87 -3.78 4.03 1.13 -1.26 -4.67 117.38 119.73 3kz4 n GLN 828 Ca -0.08 0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.85 3kz4 n GLN 828 Cb 0.55 0.00 -0.12 0.00 0.11 0.00 0.00 30.24 30.78 3kz4 n GLN 828 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 3kz4 s VAL 829 N 0.00 -0.01 -0.39 5.09 0.11 -1.26 -4.91 120.40 119.02 3kz4 s VAL 829 Ca 0.00 0.05 -0.33 0.00 -2.93 0.00 0.00 61.98 58.77 3kz4 s VAL 829 Cb 0.00 -0.33 -0.11 0.00 -1.53 0.00 0.00 36.38 34.41 3kz4 s VAL 829 CO 0.00 0.02 2.26 -2.65 -3.33 0.00 0.00 175.10 171.40 3kz4 n PRO 830 N 3.34 1.13 -0.92 1.54 -0.02 -1.26 -4.90 135.00 133.90 3kz4 n PRO 830 Ca -0.16 0.27 -0.35 0.00 -2.02 0.00 0.00 63.50 61.24 3kz4 n PRO 830 Cb 0.57 -2.64 0.08 0.00 -0.02 0.00 0.00 33.50 31.49 3kz4 n PRO 830 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3kz4 n GLN 831 N 8.42 -0.12 -0.06 -0.52 6.02 -1.26 -4.69 117.38 125.17 3kz4 n GLN 831 Ca 0.41 -0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.38 3kz4 n GLN 831 Cb 0.29 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 30.12 3kz4 n GLN 831 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3kz4 n GLN 832 N 0.40 1.32 -3.67 -1.09 10.64 -1.26 -3.30 117.38 120.42 3kz4 n GLN 832 Ca 0.03 0.00 -0.30 0.00 -1.83 0.00 0.00 57.00 54.90 3kz4 n GLN 832 Cb 0.54 0.00 -0.15 0.00 -0.86 0.00 0.00 30.24 29.78 3kz4 n GLN 832 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.06 175.35 3kz4 s PHE 833 N 0.38 1.31 -1.13 2.61 5.36 -0.51 -4.62 117.98 121.39 3kz4 s PHE 833 Ca 0.00 -1.54 -0.14 0.00 -0.96 0.00 0.00 56.93 54.29 3kz4 s PHE 833 Cb 0.00 -1.47 0.18 0.00 -0.34 0.00 0.00 43.02 41.39 3kz4 s PHE 833 CO 0.00 -0.86 1.30 0.34 -1.46 0.00 0.00 175.22 174.54 3kz4 s ASP 834 N 1.66 7.01 0.13 6.13 -1.08 -1.26 -4.86 116.67 124.40 3kz4 s ASP 834 Ca 0.10 -2.89 -0.28 0.00 -0.52 0.00 0.00 52.55 48.96 3kz4 s ASP 834 Cb -0.17 -2.37 -0.08 0.00 -1.46 0.00 0.00 42.92 38.84 3kz4 s ASP 834 CO -0.26 -0.73 1.48 0.15 0.52 0.00 0.00 175.17 176.33 3kz4 h PHE 835 N 7.43 -1.59 -0.58 -5.34 3.57 -1.96 0.54 116.94 119.01 3kz4 h PHE 835 Ca 0.26 0.09 0.05 0.00 3.53 0.00 0.00 57.97 61.90 3kz4 h PHE 835 Cb 0.91 0.77 -0.07 0.00 2.79 0.00 0.00 35.95 40.35 3kz4 h PHE 835 CO 1.06 -0.39 -0.34 0.54 -2.23 0.00 0.00 178.31 176.95 3kz4 n ARG 836 N -5.03 -0.26 0.01 1.11 1.74 -1.26 0.11 116.66 113.08 3kz4 n ARG 836 Ca -0.01 1.07 0.14 0.00 -0.77 0.00 0.00 57.85 58.28 3kz4 n ARG 836 Cb 0.27 -1.58 0.53 0.00 -1.02 0.00 0.00 32.46 30.66 3kz4 n ARG 836 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3kz4 n ASN 837 N -4.43 0.16 0.00 0.55 5.15 -1.09 -3.41 115.26 112.20 3kz4 n ASN 837 Ca 0.01 0.37 0.14 0.00 -0.60 0.00 0.00 54.58 54.50 3kz4 n ASN 837 Cb 0.15 -0.38 0.77 0.00 -0.53 0.00 0.00 39.78 39.79 3kz4 n ASN 837 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 3kz4 n SER 838 N -1.57 0.00 -4.99 1.20 2.88 0.30 -4.79 113.62 106.66 3kz4 n SER 838 Ca 0.07 -0.45 -0.19 0.00 -1.33 0.00 0.00 58.87 56.96 3kz4 n SER 838 Cb 0.35 -0.16 -0.00 0.00 -0.75 0.00 0.00 64.21 63.64 3kz4 n SER 838 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 3kz4 s MET 839 N -2.32 3.07 0.18 -1.46 -2.45 -0.77 -3.64 119.30 111.91 3kz4 s MET 839 Ca 0.34 -1.00 -0.06 0.00 -1.25 0.00 0.00 55.69 53.71 3kz4 s MET 839 Cb 0.19 -2.79 -0.02 0.00 1.25 0.00 0.00 34.83 33.46 3kz4 s MET 839 CO 0.38 -0.01 0.23 -1.01 1.05 0.00 0.00 175.02 175.66 3kz4 s HIS 840 N -2.23 0.68 0.16 4.11 0.09 -0.72 -4.93 115.29 112.45 3kz4 s HIS 840 Ca 0.47 -1.01 0.10 0.00 -0.00 0.00 0.00 55.06 54.62 3kz4 s HIS 840 Cb -0.10 -0.23 -0.04 0.00 -0.00 0.00 0.00 32.58 32.21 3kz4 s HIS 840 CO 0.32 -0.70 -0.17 1.41 -0.00 0.00 0.00 174.74 175.60 3kz4 s MET 841 N -4.04 1.81 0.09 1.40 1.75 -1.26 -2.85 119.30 116.19 3kz4 s MET 841 Ca 0.25 -1.31 0.06 0.00 -1.25 0.00 0.00 55.69 53.44 3kz4 s MET 841 Cb 0.04 -2.05 -0.03 0.00 2.84 0.00 0.00 34.83 35.63 3kz4 s MET 841 CO 0.05 0.44 -0.16 -0.51 -0.65 0.00 0.00 175.02 174.18 3kz4 s LEU 842 N -2.55 2.31 0.15 4.11 1.43 -0.80 -4.98 118.68 118.34 3kz4 s LEU 842 Ca 0.21 -0.68 0.06 0.00 -1.03 0.00 0.00 54.13 52.70 3kz4 s LEU 842 Cb -0.09 -0.64 -0.04 0.00 0.03 0.00 0.00 46.19 45.45 3kz4 s LEU 842 CO 0.12 -0.05 -0.14 0.42 0.23 0.00 0.00 176.35 176.93 3kz4 s THR 843 N -1.41 1.45 0.00 5.49 -4.23 -1.26 -2.32 115.64 113.36 3kz4 s THR 843 Ca 0.03 -1.89 0.00 0.00 -1.18 0.00 0.00 61.69 58.64 3kz4 s THR 843 Cb -0.09 -1.72 0.00 0.00 1.34 0.00 0.00 72.50 72.03 3kz4 s THR 843 CO 0.03 -0.49 0.00 -1.54 -0.54 0.00 0.00 174.62 172.08 3kz4 n SER 844 N 0.21 0.00 -4.83 3.99 3.41 -1.20 -5.00 113.62 110.20 3kz4 n SER 844 Ca -0.13 -0.14 -0.31 0.00 -0.26 0.00 0.00 58.87 58.03 3kz4 n SER 844 Cb 0.58 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.48 3kz4 n SER 844 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3kz4 s ASN 845 N 1.58 4.32 -0.00 4.04 0.01 -1.26 -2.62 114.94 121.01 3kz4 s ASN 845 Ca 0.00 -1.56 0.06 0.00 -0.71 0.00 0.00 52.86 50.65 3kz4 s ASN 845 Cb 0.00 0.61 -0.02 0.00 0.41 0.00 0.00 41.25 42.25 3kz4 s ASN 845 CO 0.00 -1.00 -0.18 -0.76 -1.51 0.00 0.00 177.10 173.65 3kz4 s LEU 846 N -4.04 2.06 -0.05 0.60 1.43 -1.13 -4.25 118.68 113.29 3kz4 s LEU 846 Ca 0.12 -0.36 -0.05 0.00 -1.03 0.00 0.00 54.13 52.82 3kz4 s LEU 846 Cb -0.01 -0.90 0.01 0.00 0.03 0.00 0.00 46.19 45.32 3kz4 s LEU 846 CO 0.08 0.20 0.08 0.41 0.23 0.00 0.00 176.35 177.35 3kz4 n THR 847 N 2.49 -1.71 -0.77 5.49 -1.04 -1.26 -4.99 114.28 112.48 3kz4 n THR 847 Ca -0.15 0.32 0.00 0.00 -2.04 0.00 0.00 64.05 62.18 3kz4 n THR 847 Cb 0.54 -2.31 0.00 0.00 -1.82 0.00 0.00 70.33 66.74 3kz4 n THR 847 CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3kz4 n PHE 848 N 0.90 0.00 0.00 -1.42 3.01 -1.26 -4.95 117.46 113.74 3kz4 n PHE 848 Ca -0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.45 3kz4 n PHE 848 Cb 0.40 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.87 3kz4 n PHE 848 CO 0.00 0.00 0.00 2.41 1.01 0.00 0.00 176.76 180.18 3kz4 n THR 849 N 0.00 0.00 -3.24 4.37 -1.04 -1.23 -4.94 114.28 108.19 3kz4 n THR 849 Ca 0.00 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.64 3kz4 n THR 849 Cb 0.00 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 3kz4 n THR 849 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3kz4 s VAL 850 N 0.00 4.71 -0.04 12.58 1.01 -1.26 -2.56 120.40 134.83 3kz4 s VAL 850 Ca 0.00 1.15 0.01 0.00 0.00 0.00 0.00 61.98 63.15 3kz4 s VAL 850 Cb 0.00 -3.86 0.02 0.00 0.00 0.00 0.00 36.38 32.54 3kz4 s VAL 850 CO 0.00 0.39 -0.06 -0.31 0.00 0.00 0.00 175.10 175.12 3kz4 s TYR 851 N -1.30 0.85 0.09 5.22 1.51 -1.25 -5.01 117.35 117.47 3kz4 s TYR 851 Ca 0.35 -0.24 0.02 0.00 -1.01 0.00 0.00 57.07 56.19 3kz4 s TYR 851 Cb -0.18 -0.69 -0.04 0.00 -0.11 0.00 0.00 41.96 40.94 3kz4 s TYR 851 CO 0.20 -0.17 0.17 -1.12 -1.11 0.00 0.00 175.55 173.51 3kz4 s SER 852 N 0.70 5.97 0.00 2.29 0.01 -1.26 -4.80 113.70 116.61 3kz4 s SER 852 Ca -0.10 0.11 0.00 0.00 1.31 0.00 0.00 55.95 57.27 3kz4 s SER 852 Cb -0.13 -1.73 0.00 0.00 0.21 0.00 0.00 66.02 64.37 3kz4 s SER 852 CO 0.01 0.14 0.00 -0.67 0.41 0.00 0.00 173.24 173.13 3kz4 n ASP 853 N 0.14 0.00 0.00 2.44 -0.08 -1.26 -4.95 116.55 112.84 3kz4 n ASP 853 Ca -0.07 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.21 3kz4 n ASP 853 Cb 0.52 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.98 3kz4 n ASP 853 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 3kz4 n LEU 854 N 0.00 0.00 0.00 -2.67 0.00 -1.26 -4.93 117.00 108.14 3kz4 n LEU 854 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 3kz4 n LEU 854 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 3kz4 n LEU 854 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 177.39 177.57 3kz4 n LEU 855 N 0.00 0.00 0.00 -1.96 4.77 -1.26 -3.72 117.00 114.83 3kz4 n LEU 855 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3kz4 n LEU 855 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3kz4 n LEU 855 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.06 3kz4 n ALA 856 N 1.16 0.00 0.00 -1.18 0.00 -1.26 -3.31 120.51 115.92 3kz4 n ALA 856 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3kz4 n ALA 856 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3kz4 n ALA 856 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3kz4 n PHE 857 N 0.00 0.00 -3.71 0.00 3.01 -1.24 -4.66 117.46 110.85 3kz4 n PHE 857 Ca 0.00 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.35 3kz4 n PHE 857 Cb 0.00 -0.12 -0.12 0.00 -0.01 0.00 0.00 39.48 39.23 3kz4 n PHE 857 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 3kz4 s VAL 858 N 0.97 -0.03 -1.18 -4.37 1.01 -1.21 -4.16 120.40 111.43 3kz4 s VAL 858 Ca 0.00 0.10 -0.11 0.00 0.00 0.00 0.00 61.98 61.97 3kz4 s VAL 858 Cb 0.00 -0.51 0.21 0.00 0.00 0.00 0.00 36.38 36.08 3kz4 s VAL 858 CO 0.00 0.04 1.40 -0.24 0.00 0.00 0.00 175.10 176.30 3kz4 n SER 859 N 4.12 5.39 -4.64 3.32 2.88 -0.59 -4.96 113.62 119.14 3kz4 n SER 859 Ca -0.23 -3.04 -0.43 0.00 -1.33 0.00 0.00 58.87 53.84 3kz4 n SER 859 Cb 0.55 -1.48 -0.03 0.00 -0.75 0.00 0.00 64.21 62.50 3kz4 n SER 859 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3kz4 s ALA 860 N 0.25 3.30 0.37 -1.46 0.00 -1.26 -4.57 121.76 118.39 3kz4 s ALA 860 Ca 0.38 0.72 0.08 0.00 0.00 0.00 0.00 51.96 53.15 3kz4 s ALA 860 Cb -0.03 -3.86 -0.05 0.00 0.00 0.00 0.00 23.12 19.18 3kz4 s ALA 860 CO -0.01 -1.91 0.11 -0.51 0.00 0.00 0.00 175.76 173.44 3kz4 s ASP 861 N 4.67 4.42 0.10 0.00 1.01 -1.07 -4.78 116.67 121.02 3kz4 s ASP 861 Ca 0.78 -0.95 0.06 0.00 0.71 0.00 0.00 52.55 53.15 3kz4 s ASP 861 Cb -0.30 -0.58 -0.03 0.00 1.01 0.00 0.00 42.92 43.02 3kz4 s ASP 861 CO 0.32 -0.36 -0.15 -0.89 0.21 0.00 0.00 175.17 174.30 3kz4 s THR 862 N -2.52 1.29 1.26 -1.27 2.01 -1.26 -2.94 115.64 112.21 3kz4 s THR 862 Ca 0.38 -1.55 -0.21 0.00 0.31 0.00 0.00 61.69 60.63 3kz4 s THR 862 Cb 0.01 -1.37 0.31 0.00 0.01 0.00 0.00 72.50 71.46 3kz4 s THR 862 CO 0.21 -0.31 1.09 -0.69 -0.69 0.00 0.00 174.62 174.23 3kz4 s VAL 863 N -1.72 1.50 0.01 3.82 1.01 -1.21 -4.96 120.40 118.84 3kz4 s VAL 863 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 61.98 61.73 3kz4 s VAL 863 Cb -0.07 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.84 3kz4 s VAL 863 CO 0.03 0.00 0.96 -1.61 0.00 0.00 0.00 175.10 174.48 3kz4 s GLU 864 N -5.41 4.56 0.19 2.72 0.41 -1.26 -4.95 118.70 114.96 3kz4 s GLU 864 Ca 0.71 1.39 -0.20 0.00 -0.41 0.00 0.00 54.97 56.46 3kz4 s GLU 864 Cb -0.09 -3.45 0.14 0.00 -1.78 0.00 0.00 34.13 28.95 3kz4 s GLU 864 CO 0.56 -0.02 1.58 -1.00 -0.49 0.00 0.00 175.26 175.89 3kz4 h PRO 865 N 6.68 -0.13 0.00 0.39 0.13 -1.92 -2.71 132.00 134.44 3kz4 h PRO 865 Ca -0.41 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 3kz4 h PRO 865 Cb 1.22 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.38 3kz4 h PRO 865 CO 0.75 -0.09 0.64 -0.89 -0.23 0.00 0.00 178.00 178.18 3kz4 n ILE 866 N -5.44 0.01 -3.13 -3.56 5.41 -1.26 -2.48 119.36 108.91 3kz4 n ILE 866 Ca 0.05 0.65 -0.19 0.00 1.00 0.00 0.00 62.75 64.26 3kz4 n ILE 866 Cb 0.36 -1.65 -0.05 0.00 -0.71 0.00 0.00 39.64 37.59 3kz4 n ILE 866 CO 0.00 0.00 0.00 -0.46 0.00 0.00 0.00 176.55 176.09 3kz4 n ASN 867 N -1.45 -1.24 -4.96 4.38 6.94 -1.02 -4.92 115.26 113.00 3kz4 n ASN 867 Ca -0.00 -2.68 -0.20 0.00 -0.02 0.00 0.00 54.58 51.69 3kz4 n ASN 867 Cb 0.64 0.20 0.00 0.00 -2.36 0.00 0.00 39.78 38.26 3kz4 n ASN 867 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3kz4 s ALA 868 N -0.01 4.38 0.03 -2.53 0.00 -1.04 -4.83 121.76 117.77 3kz4 s ALA 868 Ca 0.33 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.50 3kz4 s ALA 868 Cb 0.09 -1.30 -0.02 0.00 0.00 0.00 0.00 23.12 21.88 3kz4 s ALA 868 CO -0.15 -0.36 -0.04 0.08 0.00 0.00 0.00 175.76 175.29 3kz4 s VAL 869 N -2.48 0.20 0.00 0.00 1.01 -1.26 -1.68 120.40 116.19 3kz4 s VAL 869 Ca 0.52 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 61.41 3kz4 s VAL 869 Cb -0.06 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.79 3kz4 s VAL 869 CO 0.31 -0.57 0.00 0.00 0.00 0.00 0.00 175.10 174.85 3kz4 n ALA 870 N 1.32 0.00 -0.04 5.51 0.00 -1.25 -4.88 120.51 121.18 3kz4 n ALA 870 Ca -0.22 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.22 3kz4 n ALA 870 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 3kz4 n ALA 870 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 3kz4 n PHE 871 N -0.17 0.00 -1.12 0.00 1.16 -1.26 -1.80 117.46 114.27 3kz4 n PHE 871 Ca 0.00 -0.53 0.00 0.00 -1.87 0.00 0.00 57.45 55.05 3kz4 n PHE 871 Cb 0.00 -0.34 0.00 0.00 -1.61 0.00 0.00 39.48 37.53 3kz4 n PHE 871 CO 0.00 0.00 0.00 -0.40 -1.87 0.00 0.00 176.76 174.49 3kz4 n ASP 872 N 1.40 0.00 -3.86 5.98 5.75 -1.26 -5.03 116.55 119.53 3kz4 n ASP 872 Ca 0.00 -1.00 -0.30 0.00 -0.01 0.00 0.00 54.79 53.48 3kz4 n ASP 872 Cb 0.31 0.00 0.02 0.00 -1.03 0.00 0.00 41.12 40.42 3kz4 n ASP 872 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3kz4 n ASN 873 N 0.00 -4.80 -4.30 -1.12 5.03 -0.74 -4.98 115.26 104.34 3kz4 n ASN 873 Ca 0.00 -0.74 -0.26 0.00 0.87 0.00 0.00 54.58 54.44 3kz4 n ASN 873 Cb 0.36 -3.84 -0.13 0.00 -1.02 0.00 0.00 39.78 35.14 3kz4 n ASN 873 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 3kz4 s MET 874 N -6.57 1.37 -0.26 3.52 -1.94 -1.26 -4.96 119.30 109.19 3kz4 s MET 874 Ca 0.65 -1.10 -0.28 0.00 -1.71 0.00 0.00 55.69 53.24 3kz4 s MET 874 Cb -0.32 -1.60 -0.06 0.00 2.01 0.00 0.00 34.83 34.86 3kz4 s MET 874 CO 0.80 0.39 2.25 -2.13 -0.01 0.00 0.00 175.02 176.33 3kz4 n ARG 875 N 1.44 1.79 -2.44 2.03 0.63 -1.26 -3.82 116.66 115.04 3kz4 n ARG 875 Ca -0.18 0.45 -0.43 0.00 -0.92 0.00 0.00 57.85 56.77 3kz4 n ARG 875 Cb 0.53 -3.23 -0.02 0.00 0.45 0.00 0.00 32.46 30.19 3kz4 n ARG 875 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3kz4 s ILE 876 N 8.82 4.30 0.00 5.15 1.01 -0.68 -4.11 121.20 135.70 3kz4 s ILE 876 Ca 1.01 1.57 0.00 0.00 0.00 0.00 0.00 60.65 63.23 3kz4 s ILE 876 Cb -0.34 -4.02 0.00 0.00 0.01 0.00 0.00 42.46 38.11 3kz4 s ILE 876 CO 0.35 -0.14 0.00 0.23 0.00 0.00 0.00 174.94 175.38 3kz4 n MET 877 N 6.55 0.00 -0.00 2.79 2.81 -1.26 -4.40 117.12 123.61 3kz4 n MET 877 Ca 0.14 0.42 0.01 0.00 -1.81 0.00 0.00 57.70 56.46 3kz4 n MET 877 Cb 0.45 -1.27 -0.02 0.00 -0.71 0.00 0.00 33.22 31.67 3kz4 n MET 877 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 3kz4 n ASN 878 N -0.45 3.63 -4.70 7.83 6.94 -1.26 -4.93 115.26 122.32 3kz4 n ASN 878 Ca 0.00 -0.10 -0.42 0.00 -0.02 0.00 0.00 54.58 54.03 3kz4 n ASN 878 Cb 0.03 1.09 -0.03 0.00 -2.36 0.00 0.00 39.78 38.51 3kz4 n ASN 878 CO 0.00 0.00 0.00 -0.70 -1.03 0.00 0.00 177.26 175.53 3kz4 s GLU 879 N -1.99 4.39 0.00 -3.83 2.56 -1.26 -5.09 118.70 113.48 3kz4 s GLU 879 Ca -0.01 1.66 0.30 0.00 0.00 0.00 0.00 54.97 56.93 3kz4 s GLU 879 Cb 0.02 -3.50 1.55 0.00 2.00 0.00 0.00 34.13 34.20 3kz4 s GLU 879 CO 0.10 -0.36 2.03 1.28 -0.56 0.00 0.00 175.26 177.75