#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u4g s GLU 2 N 0.00 3.29 0.35 0.00 2.02 -1.26 -0.91 118.70 122.18 1u4g s GLU 2 Ca 0.00 -0.43 0.04 0.00 0.02 0.00 0.00 54.97 54.60 1u4g s GLU 2 Cb 0.00 -2.88 -0.04 0.00 0.10 0.00 0.00 34.13 31.32 1u4g s GLU 2 CO 0.00 0.53 0.13 0.00 0.02 0.00 0.00 175.26 175.94 1u4g s ALA 3 N -0.40 2.39 0.32 5.21 0.00 0.10 -4.89 121.76 124.49 1u4g s ALA 3 Ca 0.07 -1.61 -0.03 0.00 0.00 0.00 0.00 51.96 50.40 1u4g s ALA 3 Cb -0.12 0.92 0.01 0.00 0.00 0.00 0.00 23.12 23.93 1u4g s ALA 3 CO 0.02 -0.41 0.46 0.41 0.00 0.00 0.00 175.76 176.24 1u4g n GLY 4 N -0.73 2.11 0.00 0.00 0.00 0.86 -0.23 105.19 107.20 1u4g n GLY 4 Ca -0.02 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.44 1u4g n GLY 4 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1u4g n GLY 5 N -0.51 2.10 3.75 -0.02 0.00 -1.03 -1.20 105.19 108.27 1u4g n GLY 5 Ca -0.00 -1.36 -0.30 0.00 0.00 0.00 0.00 46.02 44.36 1u4g n GLY 5 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1u4g s PRO 6 N -1.95 1.82 0.32 1.61 0.04 -1.26 -0.35 135.00 135.23 1u4g s PRO 6 Ca 0.00 0.94 -0.15 0.00 0.04 0.00 0.00 61.00 61.83 1u4g s PRO 6 Cb 0.00 -1.86 0.03 0.00 0.04 0.00 0.00 34.50 32.70 1u4g s PRO 6 CO 0.00 -1.89 0.66 0.20 0.04 0.00 0.00 177.00 176.02 1u4g s GLY 7 N -3.49 0.42 0.00 0.56 0.00 -0.17 -4.36 107.32 100.29 1u4g s GLY 7 Ca 0.62 -0.75 0.00 0.00 0.00 0.00 0.00 44.72 44.59 1u4g s GLY 7 CO 0.56 -0.40 0.00 0.61 0.00 0.00 0.00 173.10 173.87 1u4g n GLY 8 N -0.48 -1.80 3.73 0.20 0.00 -1.26 -2.22 105.19 103.35 1u4g n GLY 8 Ca -0.04 -1.85 -0.10 0.00 0.00 0.00 0.00 46.02 44.02 1u4g n GLY 8 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u4g s ASN 9 N -4.00 0.23 0.46 1.61 2.20 -1.09 -1.38 114.94 112.97 1u4g s ASN 9 Ca 0.00 -1.22 0.15 0.00 -0.94 0.00 0.00 52.86 50.85 1u4g s ASN 9 Cb 0.00 0.80 1.10 0.00 -2.00 0.00 0.00 41.25 41.15 1u4g s ASN 9 CO 0.00 -1.59 2.02 1.56 -2.94 0.00 0.00 177.10 176.15 1u4g h GLN 10 N 2.03 0.30 0.02 3.55 4.20 -1.11 0.24 115.11 124.33 1u4g h GLN 10 Ca -0.31 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.38 1u4g h GLN 10 Cb 1.25 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.96 1u4g h GLN 10 CO 0.40 0.20 -0.01 -0.22 -0.67 0.00 0.00 178.83 178.52 1u4g h LYS 11 N 0.30 -0.03 0.00 1.46 3.64 -1.87 -3.35 116.57 116.73 1u4g h LYS 11 Ca 0.22 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.60 1u4g h LYS 11 Cb 0.46 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 1u4g h LYS 11 CO -0.05 0.67 -0.59 0.44 -2.27 0.00 0.00 179.45 177.65 1u4g n ILE 12 N -4.75 0.04 0.00 2.00 -5.35 -1.18 -5.07 119.36 105.05 1u4g n ILE 12 Ca -0.09 -0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.35 1u4g n ILE 12 Cb 0.35 0.28 0.00 0.00 -1.74 0.00 0.00 39.64 38.53 1u4g n ILE 12 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1u4g n GLY 13 N 1.48 1.66 3.87 3.28 0.00 0.84 -4.89 105.19 111.42 1u4g n GLY 13 Ca 0.05 -1.93 -0.36 0.00 0.00 0.00 0.00 46.02 43.78 1u4g n GLY 13 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1u4g s LYS 14 N -2.51 3.66 0.22 1.61 2.20 -1.26 -2.66 119.74 121.01 1u4g s LYS 14 Ca 0.00 0.08 -0.05 0.00 -0.36 0.00 0.00 55.97 55.64 1u4g s LYS 14 Cb 0.00 -3.12 -0.03 0.00 -1.51 0.00 0.00 37.83 33.17 1u4g s LYS 14 CO 0.00 0.67 0.26 1.52 -0.36 0.00 0.00 175.35 177.44 1u4g s TYR 15 N -1.21 0.90 -0.07 4.03 -0.85 -0.94 -5.00 117.35 114.20 1u4g s TYR 15 Ca 0.25 -1.16 0.02 0.00 -0.52 0.00 0.00 57.07 55.66 1u4g s TYR 15 Cb -0.14 -0.30 0.02 0.00 0.38 0.00 0.00 41.96 41.92 1u4g s TYR 15 CO 0.13 -0.77 -0.11 0.99 -1.52 0.00 0.00 175.55 174.27 1u4g s THR 16 N -4.08 1.12 0.06 -3.49 2.01 -1.26 -1.00 115.64 108.99 1u4g s THR 16 Ca 0.33 -0.45 -0.31 0.00 0.31 0.00 0.00 61.69 61.58 1u4g s THR 16 Cb 0.04 -1.04 -0.06 0.00 0.01 0.00 0.00 72.50 71.46 1u4g s THR 16 CO 0.11 0.36 1.20 -0.31 -0.69 0.00 0.00 174.62 175.29 1u4g s TYR 17 N 0.84 3.42 0.00 4.92 1.51 0.53 -0.78 117.35 127.79 1u4g s TYR 17 Ca -0.11 1.29 0.00 0.00 -1.01 0.00 0.00 57.07 57.23 1u4g s TYR 17 Cb -0.15 -3.43 0.00 0.00 -0.11 0.00 0.00 41.96 38.27 1u4g s TYR 17 CO 0.02 -1.31 0.00 0.41 -1.11 0.00 0.00 175.55 173.56 1u4g n GLY 18 N 3.23 0.43 1.17 0.71 0.00 0.48 -2.47 105.19 108.74 1u4g n GLY 18 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1u4g n GLY 18 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1u4g n SER 19 N 0.00 0.00 0.11 1.61 2.88 -0.88 -4.90 113.62 112.44 1u4g n SER 19 Ca 0.00 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.51 1u4g n SER 19 Cb 0.00 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.50 1u4g n SER 19 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1u4g h ASP 20 N 0.00 0.00 -4.44 -3.46 3.32 -1.30 -3.46 116.42 107.08 1u4g h ASP 20 Ca 0.00 0.00 -0.40 0.00 0.02 0.00 0.00 57.03 56.65 1u4g h ASP 20 Cb 0.00 0.00 -0.14 0.00 0.22 0.00 0.00 39.33 39.41 1u4g h ASP 20 CO 0.00 0.76 -0.58 -0.31 -1.72 0.00 0.00 179.24 177.39 1u4g s TYR 21 N -3.15 1.61 1.21 4.55 2.02 -1.12 -5.00 117.35 117.47 1u4g s TYR 21 Ca 0.00 -1.26 -0.13 0.00 -0.37 0.00 0.00 57.07 55.31 1u4g s TYR 21 Cb 0.11 -0.92 0.30 0.00 -0.40 0.00 0.00 41.96 41.05 1u4g s TYR 21 CO 0.78 -0.40 0.96 0.41 -1.57 0.00 0.00 175.55 175.73 1u4g n GLY 22 N -0.56 -2.20 3.83 0.71 0.00 -1.26 -0.39 105.19 105.31 1u4g n GLY 22 Ca -0.00 -1.21 -0.30 0.00 0.00 0.00 0.00 46.02 44.51 1u4g n GLY 22 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1u4g s PRO 23 N -4.34 2.64 0.06 1.61 0.04 -1.26 -2.47 135.00 131.29 1u4g s PRO 23 Ca 0.68 0.74 -0.24 0.00 0.04 0.00 0.00 61.00 62.22 1u4g s PRO 23 Cb -0.25 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.25 1u4g s PRO 23 CO 0.66 -1.25 0.74 -0.51 0.04 0.00 0.00 177.00 176.67 1u4g s LEU 24 N -5.58 4.47 -0.31 -3.56 1.43 0.68 -4.86 118.68 110.94 1u4g s LEU 24 Ca 0.59 1.43 -0.13 0.00 -1.03 0.00 0.00 54.13 54.99 1u4g s LEU 24 Cb -0.13 -3.18 -0.03 0.00 0.03 0.00 0.00 46.19 42.87 1u4g s LEU 24 CO 0.54 0.07 0.29 -0.63 0.23 0.00 0.00 176.35 176.85 1u4g s ILE 25 N -0.29 5.24 0.42 -0.59 -1.09 -1.26 0.01 121.20 123.64 1u4g s ILE 25 Ca 0.37 0.10 0.04 0.00 -2.23 0.00 0.00 60.65 58.93 1u4g s ILE 25 Cb -0.21 -3.70 -0.05 0.00 -1.58 0.00 0.00 42.46 36.93 1u4g s ILE 25 CO 0.23 0.06 0.03 0.68 -1.23 0.00 0.00 174.94 174.71 1u4g s VAL 26 N 1.88 1.44 0.28 2.92 -7.23 -0.09 -4.01 120.40 115.58 1u4g s VAL 26 Ca 0.10 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.29 1u4g s VAL 26 Cb -0.16 -2.64 0.05 0.00 0.56 0.00 0.00 36.38 34.19 1u4g s VAL 26 CO 0.11 0.00 0.38 -0.46 -0.31 0.00 0.00 175.10 174.82 1u4g n ASN 27 N -1.04 0.78 0.00 4.85 2.04 -0.91 0.27 115.26 121.24 1u4g n ASN 27 Ca -0.09 -1.59 0.04 0.00 -0.44 0.00 0.00 54.58 52.50 1u4g n ASN 27 Cb 0.67 -0.22 0.19 0.00 -2.53 0.00 0.00 39.78 37.89 1u4g n ASN 27 CO 0.00 0.00 0.00 -0.90 -0.44 0.00 0.00 177.26 175.92 1u4g n ASP 28 N -2.81 0.00 -1.04 0.53 5.75 -1.26 -1.11 116.55 116.61 1u4g n ASP 28 Ca 0.07 0.42 0.11 0.00 -0.01 0.00 0.00 54.79 55.38 1u4g n ASP 28 Cb 0.26 -0.45 0.19 0.00 -1.03 0.00 0.00 41.12 40.09 1u4g n ASP 28 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1u4g n ARG 29 N -1.45 2.36 -3.61 0.11 1.74 -1.26 -4.95 116.66 109.60 1u4g n ARG 29 Ca 0.03 -2.16 -0.22 0.00 -0.77 0.00 0.00 57.85 54.73 1u4g n ARG 29 Cb 0.09 -1.46 0.06 0.00 -1.02 0.00 0.00 32.46 30.13 1u4g n ARG 29 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1u4g s GLU 31 N -5.94 2.61 -1.30 0.00 2.02 -1.26 -1.90 118.70 112.93 1u4g s GLU 31 Ca 0.25 -0.80 -0.18 0.00 0.02 0.00 0.00 54.97 54.26 1u4g s GLU 31 Cb -0.12 -2.57 0.04 0.00 0.10 0.00 0.00 34.13 31.58 1u4g s GLU 31 CO 0.76 0.55 1.86 -1.33 0.02 0.00 0.00 175.26 177.12 1u4g n MET 32 N 0.60 2.91 -3.46 1.61 2.81 0.03 -2.15 117.12 119.46 1u4g n MET 32 Ca -0.11 -3.02 -0.19 0.00 -1.81 0.00 0.00 57.70 52.57 1u4g n MET 32 Cb 0.52 -3.46 -0.12 0.00 -0.71 0.00 0.00 33.22 29.44 1u4g n MET 32 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 1u4g s ASP 33 N 4.28 1.73 -0.05 7.83 -1.08 -1.25 -1.62 116.67 126.50 1u4g s ASP 33 Ca 0.54 -0.53 0.20 0.00 -0.52 0.00 0.00 52.55 52.24 1u4g s ASP 33 Cb 0.06 0.34 0.67 0.00 -1.46 0.00 0.00 42.92 42.53 1u4g s ASP 33 CO 0.05 -0.36 1.57 -0.90 0.52 0.00 0.00 175.17 176.05 1u4g n ASP 34 N 5.31 4.23 0.00 -0.34 5.68 -0.82 -3.19 116.55 127.42 1u4g n ASP 34 Ca -0.04 -2.20 0.00 0.00 -0.50 0.00 0.00 54.79 52.05 1u4g n ASP 34 Cb 0.48 -0.52 0.00 0.00 -1.14 0.00 0.00 41.12 39.93 1u4g n ASP 34 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1u4g n GLY 35 N 1.41 3.31 0.00 6.12 0.00 -1.26 -4.72 105.19 110.05 1u4g n GLY 35 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1u4g n GLY 35 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1u4g n ASN 36 N 0.01 3.81 -4.33 1.61 3.02 -1.26 -5.04 115.26 113.08 1u4g n ASN 36 Ca 0.00 0.00 -0.32 0.00 -0.03 0.00 0.00 54.58 54.23 1u4g n ASN 36 Cb 0.00 0.26 -0.15 0.00 -0.61 0.00 0.00 39.78 39.28 1u4g n ASN 36 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1u4g s VAL 37 N -1.82 2.37 -0.13 2.41 1.01 -1.26 -1.74 120.40 121.24 1u4g s VAL 37 Ca 0.00 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.03 1u4g s VAL 37 Cb 0.00 -1.89 0.02 0.00 0.00 0.00 0.00 36.38 34.51 1u4g s VAL 37 CO 0.00 0.57 -0.15 -0.63 0.00 0.00 0.00 175.10 174.89 1u4g s ILE 38 N -0.27 1.53 -0.16 2.22 -1.09 0.67 -1.95 121.20 122.14 1u4g s ILE 38 Ca 0.00 -0.64 -0.04 0.00 -2.23 0.00 0.00 60.65 57.74 1u4g s ILE 38 Cb -0.13 -1.42 -0.03 0.00 -1.58 0.00 0.00 42.46 39.30 1u4g s ILE 38 CO 0.03 0.45 -0.02 -0.89 -1.23 0.00 0.00 174.94 173.28 1u4g s THR 39 N 1.23 4.08 -0.05 2.92 2.01 -0.64 -0.26 115.64 124.92 1u4g s THR 39 Ca -0.01 -0.29 0.05 0.00 0.31 0.00 0.00 61.69 61.75 1u4g s THR 39 Cb -0.14 -2.80 -0.02 0.00 0.01 0.00 0.00 72.50 69.55 1u4g s THR 39 CO -0.06 0.49 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.47 1u4g s VAL 40 N 0.36 2.60 -0.50 3.82 1.01 0.91 -0.56 120.40 128.04 1u4g s VAL 40 Ca -0.03 -0.89 -0.19 0.00 0.00 0.00 0.00 61.98 60.87 1u4g s VAL 40 Cb -0.14 -1.99 0.05 0.00 0.00 0.00 0.00 36.38 34.31 1u4g s VAL 40 CO 0.02 0.58 0.63 -0.62 0.00 0.00 0.00 175.10 175.71 1u4g s ASP 41 N -0.52 6.23 0.39 3.32 3.68 -1.26 -1.02 116.67 127.50 1u4g s ASP 41 Ca 0.07 -0.83 0.26 0.00 2.13 0.00 0.00 52.55 54.18 1u4g s ASP 41 Cb -0.11 -2.29 0.78 0.00 -1.45 0.00 0.00 42.92 39.84 1u4g s ASP 41 CO 0.01 -0.88 1.75 0.24 0.13 0.00 0.00 175.17 176.42 1u4g h MET 42 N 8.98 0.00 -6.42 4.34 2.86 -1.19 -3.48 114.93 120.03 1u4g h MET 42 Ca -0.27 0.00 -0.49 0.00 -2.06 0.00 0.00 59.70 56.88 1u4g h MET 42 Cb 1.09 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.70 1u4g h MET 42 CO 0.96 0.00 -0.84 -1.71 1.06 0.00 0.00 176.91 176.37 1u4g n ASN 43 N -2.79 -1.79 0.00 1.22 5.15 -1.23 -1.06 115.26 114.76 1u4g n ASN 43 Ca 0.03 -0.93 0.00 0.00 -0.60 0.00 0.00 54.58 53.08 1u4g n ASN 43 Cb 0.41 -3.35 0.00 0.00 -0.53 0.00 0.00 39.78 36.31 1u4g n ASN 43 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 1u4g n SER 44 N -2.92 -2.68 -4.89 1.20 7.64 0.11 -4.97 113.62 107.11 1u4g n SER 44 Ca -0.18 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.41 1u4g n SER 44 Cb 0.62 -1.68 0.02 0.00 -1.01 0.00 0.00 64.21 62.16 1u4g n SER 44 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1u4g s SER 45 N -2.20 5.83 -0.06 6.43 0.15 -0.22 -3.23 113.70 120.40 1u4g s SER 45 Ca 0.00 1.05 0.09 0.00 0.70 0.00 0.00 55.95 57.79 1u4g s SER 45 Cb 0.00 -2.06 0.14 0.00 -1.71 0.00 0.00 66.02 62.39 1u4g s SER 45 CO 0.00 -1.00 1.05 0.35 1.20 0.00 0.00 173.24 174.84 1u4g n THR 46 N -2.69 1.34 -1.63 6.45 -2.24 -1.26 -1.35 114.28 112.90 1u4g n THR 46 Ca 0.05 -1.52 -0.45 0.00 -2.27 0.00 0.00 64.05 59.85 1u4g n THR 46 Cb 0.56 0.16 -0.04 0.00 -2.10 0.00 0.00 70.33 68.91 1u4g n THR 46 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1u4g n ASP 47 N -0.91 3.51 0.31 3.42 -0.08 -1.26 -4.85 116.55 116.68 1u4g n ASP 47 Ca 0.08 0.68 0.18 0.00 -1.51 0.00 0.00 54.79 54.22 1u4g n ASP 47 Cb 0.48 -1.46 0.98 0.00 2.34 0.00 0.00 41.12 43.46 1u4g n ASP 47 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 1u4g h ASP 48 N 11.60 0.00 0.01 1.67 3.58 -2.05 -3.02 116.42 128.21 1u4g h ASP 48 Ca -0.45 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.00 1u4g h ASP 48 Cb 1.26 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.31 1u4g h ASP 48 CO 0.96 0.03 -0.40 -1.54 -2.88 0.00 0.00 179.24 175.40 1u4g n SER 49 N -3.41 2.02 -4.63 2.28 3.41 -1.26 -4.95 113.62 107.08 1u4g n SER 49 Ca -0.02 -1.50 -0.42 0.00 -0.26 0.00 0.00 58.87 56.66 1u4g n SER 49 Cb 0.13 0.38 -0.03 0.00 -0.26 0.00 0.00 64.21 64.44 1u4g n SER 49 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1u4g s LYS 50 N -2.42 3.74 -0.01 4.33 2.47 -1.14 -4.82 119.74 121.88 1u4g s LYS 50 Ca 0.20 2.24 0.01 0.00 -1.56 0.00 0.00 55.97 56.87 1u4g s LYS 50 Cb 0.18 -4.21 0.02 0.00 -1.46 0.00 0.00 37.83 32.37 1u4g s LYS 50 CO 0.53 -1.41 0.74 0.25 0.16 0.00 0.00 175.35 175.63 1u4g n THR 51 N 6.45 0.27 -2.00 3.43 -2.24 -1.26 -5.04 114.28 113.88 1u4g n THR 51 Ca 0.23 -0.29 -0.42 0.00 -2.27 0.00 0.00 64.05 61.30 1u4g n THR 51 Cb 0.43 0.72 -0.03 0.00 -2.10 0.00 0.00 70.33 69.35 1u4g n THR 51 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1u4g s THR 52 N -0.33 3.28 0.26 4.28 2.01 -1.26 -4.95 115.64 118.92 1u4g s THR 52 Ca 0.02 0.65 -0.30 0.00 0.31 0.00 0.00 61.69 62.37 1u4g s THR 52 Cb 0.02 -3.42 -0.10 0.00 0.01 0.00 0.00 72.50 69.02 1u4g s THR 52 CO 0.00 -0.01 1.35 -2.84 -0.69 0.00 0.00 174.62 172.43 1u4g s PRO 53 N 2.88 4.34 0.21 4.92 0.02 -1.26 -4.36 135.00 141.75 1u4g s PRO 53 Ca 0.72 2.19 -0.32 0.00 0.02 0.00 0.00 61.00 63.61 1u4g s PRO 53 Cb -0.37 -3.12 -0.11 0.00 0.02 0.00 0.00 34.50 30.91 1u4g s PRO 53 CO 0.31 -0.28 1.67 0.12 -0.33 0.00 0.00 177.00 178.48 1u4g s PHE 54 N -0.35 2.93 -0.04 6.54 5.36 0.27 -4.73 117.98 127.97 1u4g s PHE 54 Ca 0.55 0.46 0.07 0.00 -0.96 0.00 0.00 56.93 57.04 1u4g s PHE 54 Cb -0.39 -4.08 -0.01 0.00 -0.34 0.00 0.00 43.02 38.19 1u4g s PHE 54 CO 0.45 -4.02 -0.24 0.50 -1.46 0.00 0.00 175.22 170.45 1u4g s ARG 55 N 0.98 2.17 0.29 10.12 3.52 -1.26 -0.79 118.95 133.98 1u4g s ARG 55 Ca 0.72 -0.85 0.01 0.00 -0.13 0.00 0.00 55.73 55.49 1u4g s ARG 55 Cb -0.48 -1.96 -0.02 0.00 -1.56 0.00 0.00 34.95 30.93 1u4g s ARG 55 CO 0.33 0.43 0.29 -0.59 -0.81 0.00 0.00 175.30 174.96 1u4g s PHE 56 N -0.33 1.31 -0.46 5.12 -0.12 -0.80 -5.02 117.98 117.69 1u4g s PHE 56 Ca 0.03 -1.42 -0.23 0.00 -0.05 0.00 0.00 56.93 55.25 1u4g s PHE 56 Cb -0.11 -0.46 0.03 0.00 -0.63 0.00 0.00 43.02 41.85 1u4g s PHE 56 CO 0.01 -0.87 0.81 0.00 -0.05 0.00 0.00 175.22 175.12 1u4g s ALA 57 N -3.61 3.28 0.94 1.99 0.00 -1.26 -4.71 121.76 118.38 1u4g s ALA 57 Ca 0.36 -0.98 -0.10 0.00 0.00 0.00 0.00 51.96 51.24 1u4g s ALA 57 Cb 0.03 -3.51 0.16 0.00 0.00 0.00 0.00 23.12 19.80 1u4g s ALA 57 CO 0.20 -1.97 1.13 0.00 0.00 0.00 0.00 175.76 175.12 1u4g n PRO 59 N -4.30 2.20 -5.14 0.00 -0.04 -1.26 -5.08 135.00 121.38 1u4g n PRO 59 Ca 0.11 -1.81 -0.29 0.00 -0.04 0.00 0.00 63.50 61.47 1u4g n PRO 59 Cb 0.52 -1.47 -0.16 0.00 -0.04 0.00 0.00 33.50 32.36 1u4g n PRO 59 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1u4g s THR 60 N -1.66 1.85 -0.11 0.52 2.01 -1.24 -0.10 115.64 116.91 1u4g s THR 60 Ca 0.35 -0.97 0.03 0.00 0.31 0.00 0.00 61.69 61.42 1u4g s THR 60 Cb 0.21 -1.56 0.00 0.00 0.01 0.00 0.00 72.50 71.16 1u4g s THR 60 CO 0.30 0.52 -0.22 0.21 -0.69 0.00 0.00 174.62 174.74 1u4g s ASN 61 N -0.27 2.95 0.00 3.53 3.04 -0.34 -4.69 114.94 119.15 1u4g s ASN 61 Ca 0.01 -0.54 0.00 0.00 0.04 0.00 0.00 52.86 52.37 1u4g s ASN 61 Cb -0.11 -1.35 0.00 0.00 -1.54 0.00 0.00 41.25 38.24 1u4g s ASN 61 CO 0.02 0.12 0.78 0.35 -3.04 0.00 0.00 177.10 175.33 1u4g n THR 62 N 3.70 0.57 -2.77 -5.21 -2.24 -1.26 -3.99 114.28 103.07 1u4g n THR 62 Ca -0.20 -0.78 -0.42 0.00 -2.27 0.00 0.00 64.05 60.38 1u4g n THR 62 Cb 0.52 0.72 -0.03 0.00 -2.10 0.00 0.00 70.33 69.45 1u4g n THR 62 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1u4g s TYR 63 N -0.57 3.31 0.09 4.78 5.04 -1.26 -4.20 117.35 124.54 1u4g s TYR 63 Ca 0.00 1.28 -0.13 0.00 -2.44 0.00 0.00 57.07 55.78 1u4g s TYR 63 Cb 0.00 -3.19 0.02 0.00 0.35 0.00 0.00 41.96 39.14 1u4g s TYR 63 CO 0.00 -0.46 0.30 -1.59 -1.34 0.00 0.00 175.55 172.46 1u4g s LYS 64 N 3.05 0.92 -0.04 4.97 -2.85 -1.26 -4.53 119.74 120.01 1u4g s LYS 64 Ca 0.39 -0.74 -0.25 0.00 -1.00 0.00 0.00 55.97 54.38 1u4g s LYS 64 Cb -0.15 0.39 -0.04 0.00 -2.06 0.00 0.00 37.83 35.98 1u4g s LYS 64 CO 0.07 -0.32 0.77 -1.14 0.10 0.00 0.00 175.35 174.83 1u4g s GLN 65 N -3.48 4.47 -0.23 1.78 0.74 -1.23 -3.65 119.66 118.06 1u4g s GLN 65 Ca 0.01 1.02 -0.19 0.00 0.05 0.00 0.00 55.36 56.26 1u4g s GLN 65 Cb 0.02 -3.44 0.06 0.00 1.10 0.00 0.00 33.01 30.76 1u4g s GLN 65 CO -0.09 0.07 0.60 0.54 -0.55 0.00 0.00 175.29 175.86 1u4g s VAL 66 N 0.72 -0.00 -1.59 1.34 0.11 -0.64 -4.97 120.40 115.36 1u4g s VAL 66 Ca 0.41 0.01 -0.04 0.00 -2.93 0.00 0.00 61.98 59.42 1u4g s VAL 66 Cb -0.19 -0.84 0.04 0.00 -1.53 0.00 0.00 36.38 33.86 1u4g s VAL 66 CO 0.21 0.00 0.18 -3.20 -3.33 0.00 0.00 175.10 168.96 1u4g n ASN 67 N 3.22 0.21 0.00 3.54 5.15 -1.26 -0.87 115.26 125.25 1u4g n ASN 67 Ca -0.16 -1.23 0.00 0.00 -0.60 0.00 0.00 54.58 52.59 1u4g n ASN 67 Cb 0.56 -1.82 0.00 0.00 -0.53 0.00 0.00 39.78 37.99 1u4g n ASN 67 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1u4g n GLY 68 N -2.23 1.54 3.88 8.20 0.00 -1.26 -4.27 105.19 111.05 1u4g n GLY 68 Ca -0.24 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.50 1u4g n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u4g s ALA 69 N -2.96 3.84 -0.06 4.61 0.00 -0.05 -0.54 121.76 126.60 1u4g s ALA 69 Ca 0.00 -1.02 0.10 0.00 0.00 0.00 0.00 51.96 51.03 1u4g s ALA 69 Cb 0.00 -1.66 -0.24 0.00 0.00 0.00 0.00 23.12 21.23 1u4g s ALA 69 CO 0.00 0.63 0.58 0.66 0.00 0.00 0.00 175.76 177.63 1u4g n TYR 70 N -0.16 1.00 -2.80 0.00 4.01 -0.48 -1.62 117.16 117.11 1u4g n TYR 70 Ca -0.07 0.33 -0.00 0.00 -0.16 0.00 0.00 57.90 58.00 1u4g n TYR 70 Cb 0.53 -1.17 0.01 0.00 -0.31 0.00 0.00 39.34 38.40 1u4g n TYR 70 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 1u4g s SER 71 N -6.23 -0.58 0.42 7.72 0.15 -1.24 -3.47 113.70 110.47 1u4g s SER 71 Ca -0.08 -0.44 0.14 0.00 0.70 0.00 0.00 55.95 56.27 1u4g s SER 71 Cb 0.08 0.75 1.01 0.00 -1.71 0.00 0.00 66.02 66.14 1u4g s SER 71 CO 0.81 -0.05 1.93 -0.65 1.20 0.00 0.00 173.24 176.49 1u4g h PRO 72 N 5.24 0.45 -0.16 5.44 0.11 -1.85 -1.91 132.00 139.31 1u4g h PRO 72 Ca -0.01 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.07 1u4g h PRO 72 Cb 1.20 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1u4g h PRO 72 CO -0.05 0.30 0.09 -0.07 -0.21 0.00 0.00 178.00 178.05 1u4g h LEU 73 N 0.46 0.20 -0.38 2.35 3.38 -1.91 0.12 115.31 119.54 1u4g h LEU 73 Ca 0.36 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 1u4g h LEU 73 Cb 0.74 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1u4g h LEU 73 CO -0.12 0.22 0.21 0.78 0.09 0.00 0.00 178.44 179.63 1u4g h ASN 74 N 0.17 0.46 -0.32 -0.43 -0.26 -1.64 -1.56 115.58 112.00 1u4g h ASN 74 Ca 0.06 -0.08 -0.02 0.00 -0.56 0.00 0.00 56.30 55.70 1u4g h ASN 74 Cb 0.07 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.19 1u4g h ASN 74 CO -0.01 0.40 0.13 0.44 -1.06 0.00 0.00 177.43 177.33 1u4g h ASP 75 N 0.48 0.44 -0.64 5.81 3.45 -1.28 -1.82 116.42 122.87 1u4g h ASP 75 Ca 0.13 -0.16 -0.00 0.00 0.43 0.00 0.00 57.03 57.43 1u4g h ASP 75 Cb 0.04 -0.11 -0.03 0.00 -0.56 0.00 0.00 39.33 38.66 1u4g h ASP 75 CO -0.02 0.48 0.38 0.00 -1.57 0.00 0.00 179.24 178.51 1u4g h ALA 76 N 0.97 0.81 -0.16 3.45 0.00 -0.62 0.93 119.26 124.64 1u4g h ALA 76 Ca 0.11 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 1u4g h ALA 76 Cb 0.18 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1u4g h ALA 76 CO -0.01 0.29 0.04 1.25 0.00 0.00 0.00 179.25 180.82 1u4g h HIS 77 N 0.87 0.28 -0.17 0.00 -0.00 -1.19 -0.06 115.15 114.89 1u4g h HIS 77 Ca 0.23 -0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.55 1u4g h HIS 77 Cb -0.02 -0.08 -0.01 0.00 -0.00 0.00 0.00 27.41 27.31 1u4g h HIS 77 CO -0.02 0.41 0.07 0.35 -0.00 0.00 0.00 177.93 178.74 1u4g h PHE 78 N 0.07 0.25 -0.20 5.26 3.57 -1.14 -2.34 116.94 122.41 1u4g h PHE 78 Ca 0.05 -0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.47 1u4g h PHE 78 Cb 0.28 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 1u4g h PHE 78 CO 0.01 0.32 -0.17 0.74 -2.23 0.00 0.00 178.31 176.98 1u4g h PHE 79 N 0.11 0.36 -0.85 0.41 0.05 -0.79 -0.61 116.94 115.62 1u4g h PHE 79 Ca 0.06 -0.05 -0.03 0.00 3.82 0.00 0.00 57.97 61.76 1u4g h PHE 79 Cb 0.17 -0.10 -0.04 0.00 2.00 0.00 0.00 35.95 37.99 1u4g h PHE 79 CO -0.01 0.49 0.42 0.78 -0.18 0.00 0.00 178.31 179.81 1u4g h GLY 80 N 0.88 1.30 1.11 -1.45 0.00 -0.81 -1.04 103.07 103.06 1u4g h GLY 80 Ca 0.06 -0.64 -0.08 0.00 0.00 0.00 0.00 47.33 46.67 1u4g h GLY 80 CO 0.03 0.60 0.10 -1.33 0.00 0.00 0.00 176.54 175.95 1u4g h GLY 81 N 1.20 1.17 0.94 4.60 0.00 -0.75 -1.57 103.07 108.66 1u4g h GLY 81 Ca 0.29 -0.78 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 1u4g h GLY 81 CO -0.04 0.72 0.14 -2.08 0.00 0.00 0.00 176.54 175.28 1u4g h VAL 82 N 1.02 1.14 -0.82 4.60 2.07 -0.51 -0.92 116.25 122.83 1u4g h VAL 82 Ca 0.20 -0.40 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1u4g h VAL 82 Cb 0.44 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 31.06 1u4g h VAL 82 CO 0.01 0.15 0.43 0.58 0.02 0.00 0.00 177.57 178.76 1u4g h VAL 83 N 0.33 1.25 -0.44 2.57 2.07 -1.08 -0.04 116.25 120.91 1u4g h VAL 83 Ca 0.10 -0.63 -0.02 0.00 0.82 0.00 0.00 66.70 66.97 1u4g h VAL 83 Cb 0.10 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 1u4g h VAL 83 CO -0.01 0.28 0.20 0.15 0.02 0.00 0.00 177.57 178.20 1u4g h PHE 84 N 1.14 0.64 -0.24 1.57 3.04 -1.03 -2.44 116.94 119.63 1u4g h PHE 84 Ca 0.29 -0.04 -0.08 0.00 3.98 0.00 0.00 57.97 62.12 1u4g h PHE 84 Cb 0.05 -0.20 -0.01 0.00 2.56 0.00 0.00 35.95 38.35 1u4g h PHE 84 CO 0.01 0.54 -0.20 0.87 -2.02 0.00 0.00 178.31 177.50 1u4g h LYS 85 N 0.56 0.42 0.20 1.11 1.57 -0.76 -1.80 116.57 117.87 1u4g h LYS 85 Ca 0.15 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1u4g h LYS 85 Cb 0.15 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1u4g h LYS 85 CO -0.02 0.61 -0.10 1.25 -0.57 0.00 0.00 179.45 180.62 1u4g h LEU 86 N 0.38 -0.23 -1.31 2.94 6.46 -0.70 0.19 115.31 123.03 1u4g h LEU 86 Ca 0.06 -0.08 -0.03 0.00 -0.12 0.00 0.00 57.88 57.72 1u4g h LEU 86 Cb 0.57 0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.54 1u4g h LEU 86 CO 0.04 -0.07 0.11 1.88 -0.62 0.00 0.00 178.44 179.78 1u4g h TYR 87 N -0.38 0.58 0.29 1.25 -1.99 -1.34 -0.23 116.97 115.14 1u4g h TYR 87 Ca -0.03 -0.03 -0.01 0.00 2.00 0.00 0.00 58.73 60.65 1u4g h TYR 87 Cb 0.29 -0.18 0.00 0.00 2.00 0.00 0.00 36.73 38.85 1u4g h TYR 87 CO -0.03 0.50 -0.14 -0.09 -0.00 0.00 0.00 178.16 178.40 1u4g h ARG 88 N 0.57 -0.37 -0.41 4.88 2.43 -1.07 -1.00 114.38 119.41 1u4g h ARG 88 Ca 0.14 0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.28 1u4g h ARG 88 Cb 0.19 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 1u4g h ARG 88 CO -0.01 -0.06 0.08 -0.44 -1.51 0.00 0.00 179.97 178.04 1u4g h ASP 89 N -0.71 0.65 0.82 -3.80 3.45 -0.47 0.18 116.42 116.54 1u4g h ASP 89 Ca -0.04 -0.25 -0.20 0.00 0.43 0.00 0.00 57.03 56.97 1u4g h ASP 89 Cb 0.48 -0.17 -0.03 0.00 -0.56 0.00 0.00 39.33 39.05 1u4g h ASP 89 CO 0.06 0.73 -1.28 -0.50 -1.57 0.00 0.00 179.24 176.69 1u4g h TRP 90 N 0.53 0.00 0.00 4.55 4.06 -1.15 -3.41 115.95 120.53 1u4g h TRP 90 Ca 0.13 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.08 1u4g h TRP 90 Cb 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.51 1u4g h TRP 90 CO 0.02 0.74 0.00 1.19 -3.56 0.00 0.00 178.44 176.84 1u4g n PHE 91 N -3.06 0.00 -3.44 0.49 3.01 -0.44 -5.03 117.46 108.98 1u4g n PHE 91 Ca -0.08 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.14 1u4g n PHE 91 Cb 0.89 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 40.42 1u4g n PHE 91 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1u4g n GLY 92 N 0.06 -0.53 3.34 1.37 0.00 0.05 -4.96 105.19 104.51 1u4g n GLY 92 Ca 0.00 0.20 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 1u4g n GLY 92 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1u4g s THR 93 N -3.25 0.06 0.43 2.61 -1.32 -1.15 -4.98 115.64 108.04 1u4g s THR 93 Ca 0.50 -0.47 -0.19 0.00 -1.21 0.00 0.00 61.69 60.32 1u4g s THR 93 Cb -0.23 -1.12 -0.10 0.00 -1.51 0.00 0.00 72.50 69.54 1u4g s THR 93 CO 0.62 -0.26 0.92 -0.55 -2.21 0.00 0.00 174.62 173.14 1u4g s SER 94 N -2.73 6.84 0.47 8.08 0.15 -1.26 -2.99 113.70 122.26 1u4g s SER 94 Ca 0.02 1.59 0.25 0.00 0.70 0.00 0.00 55.95 58.51 1u4g s SER 94 Cb 0.01 -2.50 1.08 0.00 -1.71 0.00 0.00 66.02 62.90 1u4g s SER 94 CO -0.11 -0.38 1.90 1.55 1.20 0.00 0.00 173.24 177.39 1u4g h PRO 95 N 1.75 0.00 -5.38 5.44 0.13 -1.89 -3.45 132.00 128.60 1u4g h PRO 95 Ca -0.48 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.24 1u4g h PRO 95 Cb 1.18 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.17 1u4g h PRO 95 CO 0.62 0.19 -0.72 -0.51 -0.23 0.00 0.00 178.00 177.35 1u4g s LEU 96 N -6.88 2.53 -0.03 1.56 1.43 -1.26 -3.73 118.68 112.30 1u4g s LEU 96 Ca -0.00 -1.04 0.05 0.00 -1.03 0.00 0.00 54.13 52.11 1u4g s LEU 96 Cb 0.11 -0.55 0.20 0.00 0.03 0.00 0.00 46.19 45.98 1u4g s LEU 96 CO 0.62 -0.25 1.02 0.35 0.23 0.00 0.00 176.35 178.32 1u4g n THR 97 N -0.34 0.47 -3.71 5.49 -2.24 -1.26 -4.84 114.28 107.85 1u4g n THR 97 Ca -0.08 -0.32 -0.08 0.00 -2.27 0.00 0.00 64.05 61.30 1u4g n THR 97 Cb 0.61 -0.10 0.01 0.00 -2.10 0.00 0.00 70.33 68.75 1u4g n THR 97 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u4g n HIS 98 N 0.13 -1.93 -1.68 4.78 -0.00 -1.26 -5.16 115.22 110.10 1u4g n HIS 98 Ca 0.07 -1.59 -0.34 0.00 -0.00 0.00 0.00 57.72 55.86 1u4g n HIS 98 Cb 0.31 0.69 0.06 0.00 -0.00 0.00 0.00 29.99 31.05 1u4g n HIS 98 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 1u4g s LYS 99 N -2.20 2.59 -0.30 -1.40 1.02 -1.26 -4.98 119.74 113.21 1u4g s LYS 99 Ca 0.15 1.57 -0.21 0.00 0.02 0.00 0.00 55.97 57.51 1u4g s LYS 99 Cb -0.03 -1.91 -0.01 0.00 -0.52 0.00 0.00 37.83 35.36 1u4g s LYS 99 CO 0.11 -1.45 0.64 -0.51 -0.92 0.00 0.00 175.35 173.22 1u4g s LEU 100 N -4.86 4.13 -0.31 3.17 1.02 -0.71 -5.00 118.68 116.12 1u4g s LEU 100 Ca 0.71 0.49 -0.07 0.00 0.02 0.00 0.00 54.13 55.27 1u4g s LEU 100 Cb -0.25 -2.84 0.01 0.00 0.02 0.00 0.00 46.19 43.13 1u4g s LEU 100 CO 0.41 -0.47 0.10 -0.31 0.02 0.00 0.00 176.35 176.10 1u4g s TYR 101 N 2.62 3.17 -0.45 0.29 2.02 -1.26 -0.24 117.35 123.50 1u4g s TYR 101 Ca 0.26 -0.95 -0.14 0.00 -0.37 0.00 0.00 57.07 55.87 1u4g s TYR 101 Cb -0.15 -2.28 0.07 0.00 -0.40 0.00 0.00 41.96 39.19 1u4g s TYR 101 CO 0.11 -0.58 0.35 -1.64 -1.57 0.00 0.00 175.55 172.22 1u4g s MET 102 N 1.51 2.89 -0.40 -0.62 -1.94 0.64 -1.24 119.30 120.14 1u4g s MET 102 Ca 0.02 -1.33 -0.12 0.00 -1.71 0.00 0.00 55.69 52.56 1u4g s MET 102 Cb -0.17 -4.02 0.04 0.00 2.01 0.00 0.00 34.83 32.68 1u4g s MET 102 CO 0.03 -0.97 0.26 0.15 -0.01 0.00 0.00 175.02 174.49 1u4g s LYS 103 N 1.60 2.85 0.36 2.03 1.02 0.39 -0.06 119.74 127.92 1u4g s LYS 103 Ca 0.04 -1.14 0.07 0.00 0.02 0.00 0.00 55.97 54.96 1u4g s LYS 103 Cb -0.23 -3.85 -0.01 0.00 -0.52 0.00 0.00 37.83 33.22 1u4g s LYS 103 CO 0.06 -0.78 0.45 0.14 -0.92 0.00 0.00 175.35 174.30 1u4g s VAL 104 N 1.58 3.56 -1.42 3.17 -7.23 -0.18 -0.63 120.40 119.24 1u4g s VAL 104 Ca 0.03 -1.10 -0.08 0.00 -1.81 0.00 0.00 61.98 59.02 1u4g s VAL 104 Cb -0.20 -3.22 0.01 0.00 0.56 0.00 0.00 36.38 33.53 1u4g s VAL 104 CO 0.07 -0.11 1.03 1.41 -0.31 0.00 0.00 175.10 177.19 1u4g n HIS 105 N -1.63 -2.63 -2.52 2.82 8.25 -0.85 -0.84 115.22 117.81 1u4g n HIS 105 Ca 0.02 0.88 -0.42 0.00 -0.26 0.00 0.00 57.72 57.94 1u4g n HIS 105 Cb 0.59 -4.87 -0.03 0.00 1.12 0.00 0.00 29.99 26.81 1u4g n HIS 105 CO 0.00 0.00 0.00 -0.47 0.64 0.00 0.00 176.34 176.51 1u4g s TYR 106 N -3.28 3.26 0.05 4.41 5.04 -0.74 0.09 117.35 126.18 1u4g s TYR 106 Ca 0.52 1.31 0.00 0.00 -2.44 0.00 0.00 57.07 56.45 1u4g s TYR 106 Cb -0.23 -3.36 0.00 0.00 0.35 0.00 0.00 41.96 38.72 1u4g s TYR 106 CO 0.64 -1.03 0.00 0.41 -1.34 0.00 0.00 175.55 174.23 1u4g n GLY 107 N 3.31 -1.69 3.37 8.97 0.00 -0.45 -4.33 105.19 114.36 1u4g n GLY 107 Ca 0.11 -1.25 -0.41 0.00 0.00 0.00 0.00 46.02 44.47 1u4g n GLY 107 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1u4g s ARG 108 N -0.51 2.81 -1.49 1.61 0.52 -1.25 -4.18 118.95 116.46 1u4g s ARG 108 Ca 0.00 -1.14 -0.04 0.00 -0.52 0.00 0.00 55.73 54.02 1u4g s ARG 108 Cb 0.00 -3.78 0.04 0.00 0.52 0.00 0.00 34.95 31.73 1u4g s ARG 108 CO 0.00 -0.76 0.47 0.43 0.02 0.00 0.00 175.30 175.46 1u4g n SER 109 N 5.01 -0.91 -4.68 0.23 7.64 -1.26 -4.89 113.62 114.77 1u4g n SER 109 Ca -0.12 -1.03 -0.43 0.00 1.01 0.00 0.00 58.87 58.31 1u4g n SER 109 Cb 0.45 -2.86 -0.02 0.00 -1.01 0.00 0.00 64.21 60.77 1u4g n SER 109 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1u4g s VAL 110 N -3.84 4.62 -0.90 0.44 1.01 -1.26 -4.48 120.40 115.98 1u4g s VAL 110 Ca 0.18 1.92 -0.06 0.00 0.00 0.00 0.00 61.98 64.02 1u4g s VAL 110 Cb -0.10 -4.24 0.02 0.00 0.00 0.00 0.00 36.38 32.07 1u4g s VAL 110 CO 0.91 -0.07 2.77 -0.62 0.00 0.00 0.00 175.10 178.08 1u4g n GLU 111 N 5.63 3.40 -3.77 2.72 -0.58 -1.26 -0.83 120.64 125.95 1u4g n GLU 111 Ca 0.11 -2.58 -0.01 0.00 -0.42 0.00 0.00 57.16 54.25 1u4g n GLU 111 Cb 0.47 -2.41 0.00 0.00 -0.57 0.00 0.00 31.44 28.93 1u4g n GLU 111 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 1u4g s ASN 112 N 0.85 -0.07 0.06 1.62 3.84 -1.26 -4.99 114.94 114.99 1u4g s ASN 112 Ca 0.60 -0.36 0.02 0.00 0.21 0.00 0.00 52.86 53.33 1u4g s ASN 112 Cb 0.27 0.34 -0.03 0.00 -0.55 0.00 0.00 41.25 41.28 1u4g s ASN 112 CO -0.12 -0.65 -0.07 0.00 -2.79 0.00 0.00 177.10 173.47 1u4g s ALA 113 N -2.57 0.72 0.15 1.71 0.00 -1.26 -1.15 121.76 119.35 1u4g s ALA 113 Ca 0.17 -1.03 -0.11 0.00 0.00 0.00 0.00 51.96 50.99 1u4g s ALA 113 Cb 0.01 0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.24 1u4g s ALA 113 CO 0.01 -0.14 0.32 0.71 0.00 0.00 0.00 175.76 176.66 1u4g s TYR 114 N -2.47 0.17 -0.23 0.00 1.51 0.74 -4.97 117.35 112.09 1u4g s TYR 114 Ca -0.00 -0.54 -0.00 0.00 -1.01 0.00 0.00 57.07 55.52 1u4g s TYR 114 Cb -0.03 0.07 0.03 0.00 -0.11 0.00 0.00 41.96 41.92 1u4g s TYR 114 CO -0.02 -0.72 -0.10 -0.46 -1.11 0.00 0.00 175.55 173.14 1u4g s TRP 115 N -3.91 3.04 -1.56 2.71 -0.11 -1.26 -0.33 118.94 117.52 1u4g s TRP 115 Ca 0.11 -1.72 0.19 0.00 1.22 0.00 0.00 56.10 55.91 1u4g s TRP 115 Cb 0.03 -2.00 0.65 0.00 -1.50 0.00 0.00 33.47 30.65 1u4g s TRP 115 CO -0.04 -0.77 1.55 -0.40 -4.62 0.00 0.00 176.95 172.66 1u4g n ASP 116 N 4.61 4.16 0.00 5.86 5.68 -0.64 -4.90 116.55 131.32 1u4g n ASP 116 Ca -0.17 -2.23 0.00 0.00 -0.50 0.00 0.00 54.79 51.89 1u4g n ASP 116 Cb 0.47 -0.52 0.00 0.00 -1.14 0.00 0.00 41.12 39.93 1u4g n ASP 116 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1u4g n GLY 117 N 1.34 0.45 0.00 6.12 0.00 -1.26 -4.76 105.19 107.08 1u4g n GLY 117 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1u4g n GLY 117 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1u4g n THR 118 N -2.00 0.00 -4.15 2.61 -1.04 -1.26 -5.12 114.28 103.31 1u4g n THR 118 Ca 0.00 0.00 -0.14 0.00 -2.04 0.00 0.00 64.05 61.87 1u4g n THR 118 Cb 0.00 -0.04 -0.07 0.00 -1.82 0.00 0.00 70.33 68.40 1u4g n THR 118 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1u4g s ALA 119 N -1.07 0.97 -0.20 2.41 0.00 -1.26 -4.72 121.76 117.89 1u4g s ALA 119 Ca 0.00 -1.59 -0.07 0.00 0.00 0.00 0.00 51.96 50.30 1u4g s ALA 119 Cb 0.00 1.29 -0.03 0.00 0.00 0.00 0.00 23.12 24.38 1u4g s ALA 119 CO 0.00 -0.71 0.05 -1.64 0.00 0.00 0.00 175.76 173.46 1u4g s MET 120 N -3.69 3.81 -0.05 0.00 -1.94 -0.37 -1.62 119.30 115.43 1u4g s MET 120 Ca 0.34 -0.42 0.04 0.00 -1.71 0.00 0.00 55.69 53.94 1u4g s MET 120 Cb 0.03 -3.21 -0.02 0.00 2.01 0.00 0.00 34.83 33.64 1u4g s MET 120 CO 0.17 0.10 -0.16 -0.51 -0.01 0.00 0.00 175.02 174.61 1u4g s LEU 121 N 0.83 2.66 -0.11 -0.03 1.43 0.55 -0.46 118.68 123.54 1u4g s LEU 121 Ca 0.03 -0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 52.89 1u4g s LEU 121 Cb -0.14 -1.53 0.03 0.00 0.03 0.00 0.00 46.19 44.58 1u4g s LEU 121 CO 0.02 0.34 -0.06 -0.36 0.23 0.00 0.00 176.35 176.52 1u4g s PHE 122 N -0.70 1.35 0.79 0.29 0.40 0.20 -0.19 117.98 120.12 1u4g s PHE 122 Ca 0.11 -0.67 -0.12 0.00 -0.60 0.00 0.00 56.93 55.65 1u4g s PHE 122 Cb -0.11 -1.16 0.07 0.00 0.51 0.00 0.00 43.02 42.33 1u4g s PHE 122 CO 0.00 -0.49 1.14 0.20 0.70 0.00 0.00 175.22 176.78 1u4g s GLY 123 N 1.75 1.60 0.00 4.36 0.00 -0.30 -1.79 107.32 112.94 1u4g s GLY 123 Ca 0.05 -0.51 0.27 0.00 0.00 0.00 0.00 44.72 44.53 1u4g s GLY 123 CO -0.08 -0.06 1.69 1.22 0.00 0.00 0.00 173.10 175.88 1u4g n ASP 124 N -3.28 0.75 -0.41 1.64 8.00 -1.22 -1.94 116.55 120.09 1u4g n ASP 124 Ca 0.07 -0.70 0.02 0.00 0.71 0.00 0.00 54.79 54.89 1u4g n ASP 124 Cb 0.59 0.04 -0.00 0.00 -0.02 0.00 0.00 41.12 41.73 1u4g n ASP 124 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1u4g n GLY 125 N 1.33 -1.77 0.00 0.44 0.00 -0.01 -2.49 105.19 102.68 1u4g n GLY 125 Ca 0.13 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1u4g n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u4g n ALA 126 N -0.33 0.14 -0.04 4.61 0.00 -0.93 -4.09 120.51 119.86 1u4g n ALA 126 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1u4g n ALA 126 Cb 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.38 1u4g n ALA 126 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1u4g n THR 127 N 0.00 0.57 0.07 0.00 -2.24 -1.26 -4.60 114.28 106.83 1u4g n THR 127 Ca 0.00 -0.53 -0.23 0.00 -2.27 0.00 0.00 64.05 61.03 1u4g n THR 127 Cb 0.00 -0.27 -0.15 0.00 -2.10 0.00 0.00 70.33 67.81 1u4g n THR 127 CO 0.00 0.00 0.00 0.24 -0.57 0.00 0.00 175.07 174.74 1u4g h MET 128 N 0.00 0.39 -5.61 -0.78 2.86 -1.95 -3.44 114.93 106.40 1u4g h MET 128 Ca -0.23 -0.67 -0.45 0.00 -2.06 0.00 0.00 59.70 56.29 1u4g h MET 128 Cb 1.40 0.25 -0.19 0.00 0.06 0.00 0.00 31.60 33.13 1u4g h MET 128 CO 0.01 1.31 -0.77 -0.06 1.06 0.00 0.00 176.91 178.46 1u4g s PHE 129 N -2.58 1.53 0.77 -0.22 0.08 -1.26 -1.27 117.98 115.02 1u4g s PHE 129 Ca -0.15 -0.51 -0.07 0.00 0.12 0.00 0.00 56.93 56.31 1u4g s PHE 129 Cb 0.05 -0.80 0.11 0.00 -0.57 0.00 0.00 43.02 41.82 1u4g s PHE 129 CO 0.86 0.19 1.08 0.71 -0.10 0.00 0.00 175.22 177.95 1u4g s TYR 130 N -1.96 2.26 0.10 0.36 1.51 0.10 -2.19 117.35 117.52 1u4g s TYR 130 Ca 0.09 0.21 -0.36 0.00 -1.01 0.00 0.00 57.07 56.00 1u4g s TYR 130 Cb -0.06 -3.35 -0.16 0.00 -0.11 0.00 0.00 41.96 38.28 1u4g s TYR 130 CO 0.04 -1.77 1.37 -2.30 -1.11 0.00 0.00 175.55 171.78 1u4g n PRO 131 N -3.08 1.29 -1.25 -1.71 -0.02 -1.04 -4.32 135.00 124.87 1u4g n PRO 131 Ca 0.12 0.47 -0.34 0.00 -2.02 0.00 0.00 63.50 61.72 1u4g n PRO 131 Cb 0.60 -2.13 -0.05 0.00 -0.02 0.00 0.00 33.50 31.90 1u4g n PRO 131 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1u4g n LEU 132 N 2.64 8.10 -2.38 2.45 4.32 -0.82 -4.58 117.00 126.74 1u4g n LEU 132 Ca 0.18 -4.14 -0.27 0.00 -0.02 0.00 0.00 56.01 51.77 1u4g n LEU 132 Cb 0.20 -1.53 0.01 0.00 -1.62 0.00 0.00 43.42 40.49 1u4g n LEU 132 CO 0.62 1.99 0.28 0.52 -1.22 0.00 0.00 177.39 179.57 1u4g n VAL 133 N 3.41 2.49 -2.46 4.08 0.31 -1.26 -4.75 118.33 120.15 1u4g n VAL 133 Ca 0.72 -4.69 -0.26 0.00 -0.01 0.00 0.00 64.34 60.10 1u4g n VAL 133 Cb 0.34 -1.23 0.03 0.00 -0.91 0.00 0.00 33.84 32.07 1u4g n VAL 133 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1u4g s SER 134 N -3.41 5.64 0.20 4.52 1.04 -1.26 -4.54 113.70 115.88 1u4g s SER 134 Ca 0.49 0.68 -0.10 0.00 0.48 0.00 0.00 55.95 57.50 1u4g s SER 134 Cb 0.41 -1.70 0.14 0.00 0.10 0.00 0.00 66.02 64.96 1u4g s SER 134 CO -0.14 -1.01 1.82 0.25 0.98 0.00 0.00 173.24 175.14 1u4g h LEU 135 N -0.11 0.90 -1.17 2.42 5.85 -1.96 -1.20 115.31 120.05 1u4g h LEU 135 Ca -0.45 -0.09 -0.08 0.00 0.84 0.00 0.00 57.88 58.09 1u4g h LEU 135 Cb 1.25 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.04 1u4g h LEU 135 CO 0.60 0.73 -0.39 -2.24 -0.34 0.00 0.00 178.44 176.80 1u4g h ASP 136 N 1.00 0.00 -0.11 1.25 -0.00 -1.94 -1.04 116.42 115.57 1u4g h ASP 136 Ca 0.26 0.00 -0.22 0.00 -0.00 0.00 0.00 57.03 57.07 1u4g h ASP 136 Cb 0.03 0.00 0.01 0.00 -0.00 0.00 0.00 39.33 39.37 1u4g h ASP 136 CO -0.04 0.39 -0.79 0.58 -0.00 0.00 0.00 179.24 179.38 1u4g h VAL 137 N 0.00 1.30 -0.39 4.15 2.07 -1.82 -1.05 116.25 120.51 1u4g h VAL 137 Ca -0.00 -2.01 0.00 0.00 0.82 0.00 0.00 66.70 65.51 1u4g h VAL 137 Cb 0.75 2.12 -0.02 0.00 -1.52 0.00 0.00 31.29 32.62 1u4g h VAL 137 CO 0.05 0.63 0.25 0.00 0.02 0.00 0.00 177.57 178.52 1u4g h ALA 138 N 0.50 0.49 -0.50 1.67 0.00 -0.95 -0.95 119.26 119.52 1u4g h ALA 138 Ca -0.07 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.75 1u4g h ALA 138 Cb 1.43 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1u4g h ALA 138 CO 0.16 -0.06 0.03 0.00 0.00 0.00 0.00 179.25 179.39 1u4g h ALA 139 N 1.14 1.11 0.08 0.00 0.00 -1.19 -1.53 119.26 118.88 1u4g h ALA 139 Ca 0.14 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1u4g h ALA 139 Cb -0.06 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1u4g h ALA 139 CO -0.03 0.57 -0.04 1.25 0.00 0.00 0.00 179.25 181.00 1u4g h HIS 140 N 0.77 -0.10 -0.29 0.00 6.17 -0.61 -0.29 115.15 120.80 1u4g h HIS 140 Ca 0.15 -0.00 -0.08 0.00 0.71 0.00 0.00 60.37 61.15 1u4g h HIS 140 Cb 0.42 0.03 -0.01 0.00 2.52 0.00 0.00 27.41 30.38 1u4g h HIS 140 CO 0.02 -0.04 -0.12 0.93 0.71 0.00 0.00 177.93 179.43 1u4g h GLU 141 N -0.14 0.59 -0.89 5.26 4.39 -1.05 -2.77 114.58 119.96 1u4g h GLU 141 Ca -0.01 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.44 1u4g h GLU 141 Cb 0.11 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.70 1u4g h GLU 141 CO 0.02 0.82 0.57 0.28 -1.16 0.00 0.00 179.01 179.54 1u4g h VAL 142 N 0.34 1.24 0.00 3.13 2.07 -1.26 -2.28 116.25 119.48 1u4g h VAL 142 Ca 0.07 -0.47 -0.02 0.00 0.82 0.00 0.00 66.70 67.10 1u4g h VAL 142 Cb 0.63 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.35 1u4g h VAL 142 CO 0.04 0.24 -0.07 0.28 0.02 0.00 0.00 177.57 178.07 1u4g h SER 143 N 1.22 0.00 -0.13 0.57 0.02 -0.90 -0.99 113.55 113.34 1u4g h SER 143 Ca 0.32 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.18 1u4g h SER 143 Cb -0.10 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 1u4g h SER 143 CO -0.07 0.07 -0.23 0.45 -1.14 0.00 0.00 176.83 175.92 1u4g h HIS 144 N 0.00 0.63 -0.55 3.45 -0.00 -1.12 -0.46 115.15 117.10 1u4g h HIS 144 Ca -0.00 -0.13 -0.11 0.00 -0.00 0.00 0.00 60.37 60.13 1u4g h HIS 144 Cb 0.27 -0.15 -0.02 0.00 -0.00 0.00 0.00 27.41 27.51 1u4g h HIS 144 CO 0.00 0.74 -0.09 0.78 -0.00 0.00 0.00 177.93 179.36 1u4g h GLY 145 N 1.00 1.11 0.96 2.45 0.00 -1.22 -0.44 103.07 106.93 1u4g h GLY 145 Ca 0.07 -0.88 -0.00 0.00 0.00 0.00 0.00 47.33 46.53 1u4g h GLY 145 CO 0.05 0.80 0.08 -2.75 0.00 0.00 0.00 176.54 174.73 1u4g h PHE 146 N 0.91 0.19 -0.24 5.60 3.57 -1.03 -1.14 116.94 124.79 1u4g h PHE 146 Ca 0.15 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 1u4g h PHE 146 Cb 0.66 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 1u4g h PHE 146 CO 0.04 0.17 0.12 1.15 -2.23 0.00 0.00 178.31 177.56 1u4g h THR 147 N 0.15 1.13 -0.58 4.41 2.02 -0.93 -1.66 112.91 117.45 1u4g h THR 147 Ca 0.05 -0.36 0.05 0.00 0.77 0.00 0.00 66.41 66.92 1u4g h THR 147 Cb 0.04 0.93 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 1u4g h THR 147 CO -0.01 0.13 0.39 -0.33 0.37 0.00 0.00 175.52 176.07 1u4g h GLU 148 N 0.27 0.58 -0.01 6.66 5.08 -0.91 0.17 114.58 126.42 1u4g h GLU 148 Ca 0.08 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1u4g h GLU 148 Cb 0.09 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.21 1u4g h GLU 148 CO -0.01 0.38 -0.04 1.04 -1.00 0.00 0.00 179.01 179.38 1u4g n GLN 149 N -4.47 1.36 0.00 2.33 6.02 -0.45 -4.08 117.38 118.09 1u4g n GLN 149 Ca 0.08 -0.68 0.00 0.00 -0.01 0.00 0.00 57.00 56.39 1u4g n GLN 149 Cb 0.20 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.98 1u4g n GLN 149 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1u4g n ASN 150 N -0.23 0.00 -0.10 1.08 3.02 -0.55 -4.93 115.26 113.56 1u4g n ASN 150 Ca 0.19 0.00 -0.01 0.00 -0.03 0.00 0.00 54.58 54.73 1u4g n ASN 150 Cb 0.31 0.00 0.25 0.00 -0.61 0.00 0.00 39.78 39.72 1u4g n ASN 150 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1u4g h SER 151 N 0.00 0.70 -0.16 6.41 4.64 -1.21 -3.47 113.55 120.47 1u4g h SER 151 Ca 0.00 -0.10 -0.05 0.00 -0.47 0.00 0.00 61.79 61.17 1u4g h SER 151 Cb 0.00 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 61.89 1u4g h SER 151 CO 0.00 0.65 -0.05 0.61 -0.87 0.00 0.00 176.83 177.17 1u4g n GLY 152 N -1.02 0.52 3.63 -0.77 0.00 0.47 -2.21 105.19 105.82 1u4g n GLY 152 Ca 0.04 -0.94 -0.57 0.00 0.00 0.00 0.00 46.02 44.55 1u4g n GLY 152 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1u4g n LEU 153 N -0.29 1.59 -4.83 0.99 4.77 -1.26 -4.48 117.00 113.48 1u4g n LEU 153 Ca -0.03 1.12 -0.32 0.00 -0.03 0.00 0.00 56.01 56.75 1u4g n LEU 153 Cb 0.15 -1.10 -0.05 0.00 -2.33 0.00 0.00 43.42 40.09 1u4g n LEU 153 CO 0.04 -0.96 0.65 0.27 -1.33 0.00 0.00 177.39 176.06 1u4g s ILE 154 N 1.67 4.48 -0.87 -0.08 -4.36 -0.69 -4.86 121.20 116.49 1u4g s ILE 154 Ca 0.92 1.31 -0.08 0.00 -0.26 0.00 0.00 60.65 62.55 1u4g s ILE 154 Cb -1.10 -3.66 -0.16 0.00 1.25 0.00 0.00 42.46 38.79 1u4g s ILE 154 CO 0.58 -0.49 3.10 -1.22 0.24 0.00 0.00 174.94 177.15 1u4g n TYR 155 N -1.09 1.29 -3.50 1.37 4.01 -1.26 -1.54 117.16 116.44 1u4g n TYR 155 Ca 0.07 -2.27 -0.14 0.00 -0.16 0.00 0.00 57.90 55.39 1u4g n TYR 155 Cb 0.54 -2.01 -0.04 0.00 -0.31 0.00 0.00 39.34 37.52 1u4g n TYR 155 CO 0.00 0.00 0.00 -0.98 -0.46 0.00 0.00 176.86 175.42 1u4g s ARG 156 N 1.81 1.15 3.08 -0.72 1.70 -1.26 -4.85 118.95 119.86 1u4g s ARG 156 Ca 0.64 -0.23 0.00 0.00 -0.47 0.00 0.00 55.73 55.68 1u4g s ARG 156 Cb 0.23 0.53 0.00 0.00 -0.57 0.00 0.00 34.95 35.14 1u4g s ARG 156 CO -0.03 -0.45 0.00 0.41 -1.08 0.00 0.00 175.30 174.15 1u4g n GLY 157 N 0.17 1.03 0.24 3.88 0.00 -1.26 -1.11 105.19 108.15 1u4g n GLY 157 Ca -0.18 -0.59 -0.06 0.00 0.00 0.00 0.00 46.02 45.19 1u4g n GLY 157 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1u4g h GLN 158 N 0.00 0.62 -0.90 1.61 4.20 -1.94 -2.45 115.11 116.25 1u4g h GLN 158 Ca 0.00 -0.26 0.00 0.00 0.06 0.00 0.00 58.65 58.45 1u4g h GLN 158 Cb 0.00 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.71 1u4g h GLN 158 CO 0.00 0.84 0.58 0.66 -0.67 0.00 0.00 178.83 180.24 1u4g h SER 159 N 0.53 1.05 -0.58 1.46 4.64 -1.55 -0.18 113.55 118.93 1u4g h SER 159 Ca 0.07 -0.04 -0.06 0.00 -0.47 0.00 0.00 61.79 61.29 1u4g h SER 159 Cb 0.76 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.57 1u4g h SER 159 CO 0.06 0.78 0.13 1.23 -0.87 0.00 0.00 176.83 178.15 1u4g h GLY 160 N 1.23 1.01 1.42 -0.77 0.00 -0.05 -0.13 103.07 105.78 1u4g h GLY 160 Ca 0.33 -0.64 -0.07 0.00 0.00 0.00 0.00 47.33 46.95 1u4g h GLY 160 CO -0.07 0.60 -0.01 -1.33 0.00 0.00 0.00 176.54 175.73 1u4g h GLY 161 N 0.84 0.77 1.36 4.60 0.00 -0.91 -1.40 103.07 108.32 1u4g h GLY 161 Ca 0.18 -0.50 -0.14 0.00 0.00 0.00 0.00 47.33 46.87 1u4g h GLY 161 CO 0.00 0.46 -0.36 -0.33 0.00 0.00 0.00 176.54 176.32 1u4g h MET 162 N 0.67 0.71 0.05 4.80 2.86 -0.69 0.54 114.93 123.87 1u4g h MET 162 Ca 0.13 -0.35 -0.00 0.00 -2.06 0.00 0.00 59.70 57.42 1u4g h MET 162 Cb 0.43 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.09 1u4g h MET 162 CO 0.02 0.96 -0.02 -0.97 1.06 0.00 0.00 176.91 177.95 1u4g h ASN 163 N 0.59 -0.06 -0.51 1.22 -0.73 -0.64 -0.05 115.58 115.40 1u4g h ASN 163 Ca 0.06 -0.08 -0.01 0.00 1.87 0.00 0.00 56.30 58.13 1u4g h ASN 163 Cb 0.88 0.01 -0.02 0.00 0.27 0.00 0.00 38.32 39.46 1u4g h ASN 163 CO 0.08 0.05 0.27 -0.33 -0.37 0.00 0.00 177.43 177.13 1u4g h GLU 164 N -0.16 0.72 -0.72 6.67 4.39 -1.15 -2.65 114.58 121.69 1u4g h GLU 164 Ca -0.01 -0.09 0.01 0.00 0.34 0.00 0.00 59.36 59.61 1u4g h GLU 164 Cb 0.14 -0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 28.61 1u4g h GLU 164 CO 0.01 0.57 0.47 0.00 -1.16 0.00 0.00 179.01 178.91 1u4g h ALA 165 N 1.11 0.92 -0.71 3.43 0.00 -0.68 -1.34 119.26 121.98 1u4g h ALA 165 Ca 0.18 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1u4g h ALA 165 Cb 0.07 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 1u4g h ALA 165 CO -0.03 0.32 0.42 0.35 0.00 0.00 0.00 179.25 180.32 1u4g h PHE 166 N 0.96 0.78 -0.39 0.00 3.57 -0.72 0.14 116.94 121.30 1u4g h PHE 166 Ca 0.27 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.73 1u4g h PHE 166 Cb -0.09 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.38 1u4g h PHE 166 CO -0.03 0.41 -0.04 0.77 -2.23 0.00 0.00 178.31 177.19 1u4g h SER 167 N 0.80 0.61 -0.46 0.41 0.02 -1.07 -0.53 113.55 113.33 1u4g h SER 167 Ca 0.31 -0.14 -0.14 0.00 -0.84 0.00 0.00 61.79 60.98 1u4g h SER 167 Cb 0.13 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 1u4g h SER 167 CO -0.16 0.71 -0.24 0.44 -1.14 0.00 0.00 176.83 176.44 1u4g h ASP 168 N 0.60 1.01 -0.76 3.07 3.45 -0.21 -2.55 116.42 121.04 1u4g h ASP 168 Ca 0.12 -0.40 -0.01 0.00 0.43 0.00 0.00 57.03 57.18 1u4g h ASP 168 Cb 0.44 -0.28 -0.04 0.00 -0.56 0.00 0.00 39.33 38.89 1u4g h ASP 168 CO 0.02 1.20 0.45 0.24 -1.57 0.00 0.00 179.24 179.58 1u4g h MET 169 N 0.84 1.04 -0.51 3.56 2.86 -0.30 -2.06 114.93 120.35 1u4g h MET 169 Ca 0.10 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1u4g h MET 169 Cb 0.82 -0.22 -0.03 0.00 0.06 0.00 0.00 31.60 32.24 1u4g h MET 169 CO 0.07 0.74 0.31 0.00 1.06 0.00 0.00 176.91 179.08 1u4g h ALA 170 N 1.24 1.58 -0.64 6.32 0.00 -0.90 0.33 119.26 127.19 1u4g h ALA 170 Ca 0.27 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1u4g h ALA 170 Cb -0.03 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1u4g h ALA 170 CO -0.05 0.37 0.18 0.78 0.00 0.00 0.00 179.25 180.52 1u4g h GLY 171 N 0.74 1.08 1.10 0.00 0.00 -0.96 0.03 103.07 105.06 1u4g h GLY 171 Ca 0.18 -0.66 -0.15 0.00 0.00 0.00 0.00 47.33 46.71 1u4g h GLY 171 CO -0.03 0.61 -0.32 0.83 0.00 0.00 0.00 176.54 177.63 1u4g h GLU 172 N 0.93 0.92 -0.70 4.80 4.39 -1.03 -2.38 114.58 121.51 1u4g h GLU 172 Ca 0.20 -0.46 -0.01 0.00 0.34 0.00 0.00 59.36 59.44 1u4g h GLU 172 Cb 0.33 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.95 1u4g h GLU 172 CO -0.00 1.11 0.40 0.00 -1.16 0.00 0.00 179.01 179.36 1u4g h ALA 173 N 0.79 0.90 -0.64 3.43 0.00 -0.75 -0.63 119.26 122.35 1u4g h ALA 173 Ca 0.07 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1u4g h ALA 173 Cb 0.90 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1u4g h ALA 173 CO 0.08 0.40 0.30 0.00 0.00 0.00 0.00 179.25 180.03 1u4g h ALA 174 N 1.20 0.83 -0.48 0.00 0.00 -0.88 0.18 119.26 120.12 1u4g h ALA 174 Ca 0.25 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1u4g h ALA 174 Cb 0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 1u4g h ALA 174 CO -0.04 0.40 0.17 0.93 0.00 0.00 0.00 179.25 180.71 1u4g h GLU 175 N 0.89 0.72 -0.63 0.00 5.08 -1.07 -0.96 114.58 118.62 1u4g h GLU 175 Ca 0.22 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1u4g h GLU 175 Cb 0.13 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 1u4g h GLU 175 CO -0.03 0.66 0.34 0.35 -1.00 0.00 0.00 179.01 179.34 1u4g h PHE 176 N 0.63 0.87 -0.69 4.33 3.57 -0.71 0.19 116.94 125.13 1u4g h PHE 176 Ca 0.16 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.62 1u4g h PHE 176 Cb 0.22 -0.28 -0.03 0.00 2.79 0.00 0.00 35.95 38.66 1u4g h PHE 176 CO 0.01 0.63 0.37 -0.92 -2.23 0.00 0.00 178.31 176.17 1u4g h TYR 177 N 0.86 0.96 0.09 0.41 5.03 -0.37 0.32 116.97 124.25 1u4g h TYR 177 Ca 0.22 -0.03 -0.15 0.00 2.58 0.00 0.00 58.73 61.35 1u4g h TYR 177 Cb 0.05 -0.30 0.02 0.00 1.55 0.00 0.00 36.73 38.05 1u4g h TYR 177 CO -0.01 0.69 -0.65 1.98 -1.32 0.00 0.00 178.16 178.85 1u4g h MET 178 N 0.95 0.29 -0.01 1.82 4.05 -0.82 -3.40 114.93 117.81 1u4g h MET 178 Ca 0.24 -0.42 0.00 0.00 -0.28 0.00 0.00 59.70 59.24 1u4g h MET 178 Cb 0.05 0.15 0.00 0.00 -0.80 0.00 0.00 31.60 31.00 1u4g h MET 178 CO -0.04 1.17 -0.31 0.54 0.23 0.00 0.00 176.91 178.50 1u4g n ARG 179 N -4.22 2.00 -1.00 0.39 3.00 0.64 -4.98 116.66 112.49 1u4g n ARG 179 Ca -0.12 -0.62 0.00 0.00 -0.01 0.00 0.00 57.85 57.10 1u4g n ARG 179 Cb 0.74 -1.17 0.00 0.00 0.00 0.00 0.00 32.46 32.03 1u4g n ARG 179 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1u4g n GLY 180 N 1.06 0.50 3.45 -0.13 0.00 0.11 -4.98 105.19 105.21 1u4g n GLY 180 Ca 0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.94 1u4g n GLY 180 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1u4g s LYS 181 N -0.15 1.18 -0.01 1.61 0.00 -1.25 -4.97 119.74 116.15 1u4g s LYS 181 Ca 0.00 -0.29 -0.17 0.00 0.00 0.00 0.00 55.97 55.51 1u4g s LYS 181 Cb 0.00 0.54 0.03 0.00 0.00 0.00 0.00 37.83 38.40 1u4g s LYS 181 CO 0.00 -0.48 0.36 0.54 0.00 0.00 0.00 175.35 175.77 1u4g s ASN 182 N -2.36 -0.25 0.00 0.03 2.20 -1.26 -3.37 114.94 109.94 1u4g s ASN 182 Ca -0.01 0.13 0.24 0.00 -0.94 0.00 0.00 52.86 52.27 1u4g s ASN 182 Cb -0.01 0.35 0.25 0.00 -2.00 0.00 0.00 41.25 39.84 1u4g s ASN 182 CO -0.07 -0.50 1.23 -0.90 -2.94 0.00 0.00 177.10 173.91 1u4g n ASP 183 N 1.09 0.67 -1.48 3.54 3.85 -1.26 -4.95 116.55 118.01 1u4g n ASP 183 Ca -0.21 -0.51 -0.17 0.00 -0.71 0.00 0.00 54.79 53.19 1u4g n ASP 183 Cb 0.57 0.52 -0.06 0.00 -1.35 0.00 0.00 41.12 40.79 1u4g n ASP 183 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 1u4g n PHE 184 N -1.51 -0.19 -3.73 2.11 3.01 -1.26 -4.95 117.46 110.95 1u4g n PHE 184 Ca 0.05 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 58.14 1u4g n PHE 184 Cb 0.33 -3.10 -0.11 0.00 -0.01 0.00 0.00 39.48 36.60 1u4g n PHE 184 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1u4g s LEU 185 N -4.20 5.27 -0.25 4.37 1.43 -1.26 -3.09 118.68 120.95 1u4g s LEU 185 Ca 0.00 -1.94 -0.29 0.00 -1.03 0.00 0.00 54.13 50.87 1u4g s LEU 185 Cb 0.00 -1.87 -0.02 0.00 0.03 0.00 0.00 46.19 44.33 1u4g s LEU 185 CO 0.00 -0.56 1.66 -0.63 0.23 0.00 0.00 176.35 177.05 1u4g s ILE 186 N 1.20 3.64 0.00 -0.59 1.01 -0.42 -2.79 121.20 123.25 1u4g s ILE 186 Ca 0.07 0.70 0.00 0.00 0.00 0.00 0.00 60.65 61.42 1u4g s ILE 186 Cb -0.23 -3.70 0.00 0.00 0.01 0.00 0.00 42.46 38.53 1u4g s ILE 186 CO -0.03 -0.34 0.00 0.61 0.00 0.00 0.00 174.94 175.18 1u4g n GLY 187 N 4.86 0.52 0.21 6.18 0.00 -1.26 -0.88 105.19 114.82 1u4g n GLY 187 Ca 0.20 -0.23 -0.01 0.00 0.00 0.00 0.00 46.02 45.97 1u4g n GLY 187 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 1u4g h TYR 188 N 0.00 0.01 -0.09 1.61 5.03 -1.77 -1.69 116.97 120.07 1u4g h TYR 188 Ca 0.00 0.04 0.03 0.00 2.58 0.00 0.00 58.73 61.38 1u4g h TYR 188 Cb 0.00 0.08 -0.00 0.00 1.55 0.00 0.00 36.73 38.35 1u4g h TYR 188 CO 0.00 -0.11 0.07 -0.44 -1.32 0.00 0.00 178.16 176.37 1u4g h ASP 189 N 0.14 0.00 -0.16 -2.11 3.32 -1.89 -2.99 116.42 112.73 1u4g h ASP 189 Ca 0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.33 1u4g h ASP 189 Cb 0.43 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.98 1u4g h ASP 189 CO -0.44 0.00 0.00 2.30 -1.72 0.00 0.00 179.24 179.38 1u4g n ILE 190 N -4.33 0.96 -3.14 0.35 -6.64 -0.84 -4.60 119.36 101.13 1u4g n ILE 190 Ca -0.01 -0.98 -0.41 0.00 -1.77 0.00 0.00 62.75 59.58 1u4g n ILE 190 Cb 0.19 0.52 -0.07 0.00 -1.44 0.00 0.00 39.64 38.84 1u4g n ILE 190 CO 0.00 0.00 0.00 -0.75 -1.77 0.00 0.00 176.55 174.03 1u4g s LYS 191 N -0.98 3.83 0.32 6.28 2.47 -0.70 -0.72 119.74 130.24 1u4g s LYS 191 Ca 0.11 0.19 -0.29 0.00 -1.56 0.00 0.00 55.97 54.42 1u4g s LYS 191 Cb 0.06 -3.75 -0.10 0.00 -1.46 0.00 0.00 37.83 32.58 1u4g s LYS 191 CO 0.08 -0.60 1.35 0.15 0.16 0.00 0.00 175.35 176.49 1u4g s LYS 192 N 2.58 4.31 1.48 4.03 1.02 -0.39 -4.71 119.74 128.05 1u4g s LYS 192 Ca 0.24 2.27 0.00 0.00 0.02 0.00 0.00 55.97 58.50 1u4g s LYS 192 Cb -0.15 -3.07 0.00 0.00 -0.52 0.00 0.00 37.83 34.09 1u4g s LYS 192 CO 0.12 -0.27 0.00 0.41 -0.92 0.00 0.00 175.35 174.69 1u4g n GLY 193 N 1.08 -0.95 3.90 -3.33 0.00 -1.26 -4.94 105.19 99.68 1u4g n GLY 193 Ca 0.02 -1.50 -0.28 0.00 0.00 0.00 0.00 46.02 44.25 1u4g n GLY 193 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1u4g s SER 194 N -4.00 6.30 0.33 1.61 1.04 -1.26 -4.96 113.70 112.75 1u4g s SER 194 Ca 0.00 1.00 0.00 0.00 0.48 0.00 0.00 55.95 57.43 1u4g s SER 194 Cb 0.00 -2.28 0.00 0.00 0.10 0.00 0.00 66.02 63.84 1u4g s SER 194 CO 0.00 -0.58 0.00 0.61 0.98 0.00 0.00 173.24 174.25 1u4g n GLY 195 N -2.17 -0.66 1.23 7.32 0.00 -1.26 -5.00 105.19 104.65 1u4g n GLY 195 Ca 0.01 -1.14 -0.08 0.00 0.00 0.00 0.00 46.02 44.81 1u4g n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u4g n ALA 196 N 2.12 0.24 0.04 4.61 0.00 -1.26 -4.61 120.51 121.66 1u4g n ALA 196 Ca 0.00 -0.76 -0.21 0.00 0.00 0.00 0.00 53.44 52.47 1u4g n ALA 196 Cb 0.00 0.56 -0.14 0.00 0.00 0.00 0.00 19.45 19.87 1u4g n ALA 196 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1u4g h LEU 197 N 0.00 0.47 -8.47 0.00 5.85 -1.23 -3.48 115.31 108.46 1u4g h LEU 197 Ca -0.10 -0.91 -0.28 0.00 0.84 0.00 0.00 57.88 57.43 1u4g h LEU 197 Cb 0.45 -0.15 -0.16 0.00 0.37 0.00 0.00 40.66 41.17 1u4g h LEU 197 CO 0.16 1.52 -0.71 -0.13 -0.34 0.00 0.00 178.44 178.93 1u4g s ARG 198 N -2.46 0.86 0.05 1.25 0.52 -0.99 -4.87 118.95 113.31 1u4g s ARG 198 Ca -0.16 -1.25 0.06 0.00 -0.52 0.00 0.00 55.73 53.86 1u4g s ARG 198 Cb 0.03 -0.40 -0.03 0.00 0.52 0.00 0.00 34.95 35.07 1u4g s ARG 198 CO 0.82 0.04 -0.18 0.71 0.02 0.00 0.00 175.30 176.70 1u4g s TYR 199 N -3.00 1.59 -0.18 -0.53 2.02 -1.26 -1.31 117.35 114.69 1u4g s TYR 199 Ca 0.09 -0.38 0.13 0.00 -0.37 0.00 0.00 57.07 56.55 1u4g s TYR 199 Cb 0.01 -0.93 -0.20 0.00 -0.40 0.00 0.00 41.96 40.44 1u4g s TYR 199 CO -0.02 0.09 0.02 -1.33 -1.57 0.00 0.00 175.55 172.74 1u4g n MET 200 N 1.74 1.11 -0.21 -0.62 2.81 -1.18 -3.18 117.12 117.59 1u4g n MET 200 Ca -0.18 0.01 -0.09 0.00 -1.81 0.00 0.00 57.70 55.63 1u4g n MET 200 Cb 0.54 -1.44 0.03 0.00 -0.71 0.00 0.00 33.22 31.64 1u4g n MET 200 CO 0.00 0.00 0.00 0.38 1.51 0.00 0.00 175.97 177.86 1u4g h ASP 201 N 0.00 1.05 -1.94 7.83 -0.00 -1.89 -3.31 116.42 118.17 1u4g h ASP 201 Ca -0.47 -0.30 -0.40 0.00 -0.00 0.00 0.00 57.03 55.86 1u4g h ASP 201 Cb 2.01 -0.28 -0.31 0.00 -0.00 0.00 0.00 39.33 40.75 1u4g h ASP 201 CO 0.01 1.10 -0.73 -1.58 -0.00 0.00 0.00 179.24 178.04 1u4g s GLN 202 N -5.02 0.76 0.37 4.15 0.74 -1.26 -4.97 119.66 114.43 1u4g s GLN 202 Ca -0.12 -1.19 0.16 0.00 0.05 0.00 0.00 55.36 54.26 1u4g s GLN 202 Cb 0.14 -0.81 1.06 0.00 1.10 0.00 0.00 33.01 34.50 1u4g s GLN 202 CO 0.86 -1.26 1.74 -1.35 -0.55 0.00 0.00 175.29 174.73 1u4g h PRO 203 N 6.46 0.41 0.00 1.67 0.11 -1.74 -1.23 132.00 137.68 1u4g h PRO 203 Ca 0.10 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.19 1u4g h PRO 203 Cb 1.03 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1u4g h PRO 203 CO 0.21 0.27 0.00 -1.13 -0.21 0.00 0.00 178.00 177.15 1u4g n SER 204 N -4.73 0.00 0.29 -2.05 3.41 -1.22 -2.18 113.62 107.15 1u4g n SER 204 Ca 0.27 0.28 0.20 0.00 -0.26 0.00 0.00 58.87 59.36 1u4g n SER 204 Cb 0.88 -0.31 0.99 0.00 -0.26 0.00 0.00 64.21 65.51 1u4g n SER 204 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1u4g h ARG 205 N 0.00 0.00 -0.03 4.33 3.08 -1.53 0.10 114.38 120.33 1u4g h ARG 205 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1u4g h ARG 205 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.07 1u4g h ARG 205 CO 0.00 0.00 0.00 -0.40 -1.07 0.00 0.00 179.97 178.50 1u4g n ASP 206 N -2.94 1.26 0.00 7.04 3.85 -0.93 -4.93 116.55 119.91 1u4g n ASP 206 Ca -0.02 -1.45 0.00 0.00 -0.71 0.00 0.00 54.79 52.61 1u4g n ASP 206 Cb 0.12 -0.01 0.00 0.00 -1.35 0.00 0.00 41.12 39.88 1u4g n ASP 206 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1u4g n GLY 207 N 1.13 1.29 0.00 6.12 0.00 0.35 -4.75 105.19 109.33 1u4g n GLY 207 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 1u4g n GLY 207 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u4g n ARG 208 N -2.00 0.74 -1.81 1.61 5.12 -1.26 -5.09 116.66 113.96 1u4g n ARG 208 Ca 0.00 0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.60 1u4g n ARG 208 Cb 0.00 -0.66 0.03 0.00 -1.16 0.00 0.00 32.46 30.68 1u4g n ARG 208 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1u4g s SER 209 N -2.31 5.44 0.10 0.55 0.01 -1.26 -4.91 113.70 111.31 1u4g s SER 209 Ca 0.00 1.81 0.02 0.00 1.31 0.00 0.00 55.95 59.09 1u4g s SER 209 Cb 0.00 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.66 1u4g s SER 209 CO 0.00 -1.40 0.16 0.27 0.41 0.00 0.00 173.24 172.68 1u4g s ILE 210 N -2.60 4.93 -1.49 1.44 -4.36 -0.93 -3.37 121.20 114.83 1u4g s ILE 210 Ca 0.63 -0.68 0.16 0.00 -0.26 0.00 0.00 60.65 60.50 1u4g s ILE 210 Cb -0.17 -3.43 -0.00 0.00 1.25 0.00 0.00 42.46 40.11 1u4g s ILE 210 CO 0.43 0.06 0.86 0.47 0.24 0.00 0.00 174.94 177.01 1u4g n ASP 211 N 0.13 1.64 -3.69 4.36 8.00 -1.26 -3.43 116.55 122.29 1u4g n ASP 211 Ca -0.07 -1.32 -0.14 0.00 0.71 0.00 0.00 54.79 53.97 1u4g n ASP 211 Cb 0.52 0.47 -0.08 0.00 -0.02 0.00 0.00 41.12 42.00 1u4g n ASP 211 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1u4g s ASN 212 N -1.90 -0.38 0.51 -2.24 3.84 -1.26 -4.73 114.94 108.78 1u4g s ASN 212 Ca 0.13 0.48 0.35 0.00 0.21 0.00 0.00 52.86 54.03 1u4g s ASN 212 Cb 0.13 0.56 1.79 0.00 -0.55 0.00 0.00 41.25 43.18 1u4g s ASN 212 CO 0.41 -0.39 2.05 0.00 -2.79 0.00 0.00 177.10 176.38 1u4g h ALA 213 N 4.16 1.00 0.00 1.71 0.00 -1.02 -0.87 119.26 124.25 1u4g h ALA 213 Ca -0.28 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1u4g h ALA 213 Cb 1.17 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.96 1u4g h ALA 213 CO 0.34 0.00 -0.02 0.66 0.00 0.00 0.00 179.25 180.23 1u4g h SER 214 N 0.00 0.00 -0.21 0.00 4.64 -1.86 -1.95 113.55 114.18 1u4g h SER 214 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1u4g h SER 214 Cb 0.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.19 1u4g h SER 214 CO 0.00 0.02 0.00 0.00 -0.87 0.00 0.00 176.83 175.98 1u4g n GLN 215 N -3.16 2.14 -2.24 4.77 6.02 -0.33 -4.95 117.38 119.63 1u4g n GLN 215 Ca -0.01 -1.70 -0.37 0.00 -0.01 0.00 0.00 57.00 54.91 1u4g n GLN 215 Cb 0.23 -1.46 -0.01 0.00 1.02 0.00 0.00 30.24 30.01 1u4g n GLN 215 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 1u4g s TYR 216 N -1.74 2.88 -0.03 1.08 6.14 -0.74 -5.00 117.35 119.94 1u4g s TYR 216 Ca 0.35 1.53 -0.13 0.00 0.64 0.00 0.00 57.07 59.45 1u4g s TYR 216 Cb 0.20 -3.40 0.02 0.00 0.42 0.00 0.00 41.96 39.21 1u4g s TYR 216 CO 0.30 -1.54 0.29 1.52 0.64 0.00 0.00 175.55 176.76 1u4g s TYR 217 N -1.52 -0.18 0.25 4.97 -0.85 -1.26 -5.11 117.35 113.65 1u4g s TYR 217 Ca 0.63 0.31 -0.31 0.00 -0.52 0.00 0.00 57.07 57.17 1u4g s TYR 217 Cb -0.29 0.08 -0.12 0.00 0.38 0.00 0.00 41.96 42.01 1u4g s TYR 217 CO 0.36 -0.34 1.67 0.09 -1.52 0.00 0.00 175.55 175.81 1u4g n ASN 218 N 1.55 3.95 0.00 -0.18 5.03 -1.26 -2.15 115.26 122.19 1u4g n ASN 218 Ca -0.20 1.10 0.00 0.00 0.87 0.00 0.00 54.58 56.34 1u4g n ASN 218 Cb 0.56 -1.58 0.00 0.00 -1.02 0.00 0.00 39.78 37.74 1u4g n ASN 218 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1u4g n GLY 219 N 3.20 0.61 3.77 7.41 0.00 -1.26 -5.05 105.19 113.87 1u4g n GLY 219 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1u4g n GLY 219 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1u4g s ILE 220 N -2.36 2.24 0.37 -0.61 2.07 -0.92 -4.95 121.20 117.05 1u4g s ILE 220 Ca 0.00 0.24 -0.27 0.00 -1.41 0.00 0.00 60.65 59.21 1u4g s ILE 220 Cb 0.00 -3.15 -0.10 0.00 0.13 0.00 0.00 42.46 39.34 1u4g s ILE 220 CO 0.00 0.06 1.35 -0.62 -1.91 0.00 0.00 174.94 173.82 1u4g s ASP 221 N -0.17 6.46 0.56 4.50 -1.08 -1.26 -4.61 116.67 121.07 1u4g s ASP 221 Ca 0.53 2.77 0.25 0.00 -0.52 0.00 0.00 52.55 55.58 1u4g s ASP 221 Cb -0.45 -2.65 1.61 0.00 -1.46 0.00 0.00 42.92 39.98 1u4g s ASP 221 CO 0.59 -0.76 2.20 -0.37 0.52 0.00 0.00 175.17 177.35 1u4g h VAL 222 N 2.78 0.68 -0.00 1.11 -1.51 -1.89 0.14 116.25 117.55 1u4g h VAL 222 Ca -0.50 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 64.89 1u4g h VAL 222 Cb 1.24 1.05 0.00 0.00 -2.13 0.00 0.00 31.29 31.45 1u4g h VAL 222 CO 0.64 0.02 -0.01 1.41 -1.23 0.00 0.00 177.57 178.40 1u4g n HIS 223 N -4.02 0.00 -0.05 5.19 8.25 -1.26 -2.55 115.22 120.78 1u4g n HIS 223 Ca -0.03 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.37 1u4g n HIS 223 Cb 0.11 -0.04 -0.05 0.00 1.12 0.00 0.00 29.99 31.12 1u4g n HIS 223 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 1u4g n HIS 224 N -0.80 0.00 0.49 4.41 8.25 -0.11 -4.51 115.22 122.95 1u4g n HIS 224 Ca 0.21 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.80 1u4g n HIS 224 Cb 0.19 -0.40 0.45 0.00 1.12 0.00 0.00 29.99 31.35 1u4g n HIS 224 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1u4g h SER 225 N 0.00 0.00 0.63 0.41 4.64 -1.23 -2.41 113.55 115.59 1u4g h SER 225 Ca -0.23 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.09 1u4g h SER 225 Cb 1.38 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.47 1u4g h SER 225 CO -0.03 0.00 -0.00 0.77 -0.87 0.00 0.00 176.83 176.70 1u4g h SER 226 N 0.00 0.00 -0.74 4.97 4.64 -1.63 -3.05 113.55 117.74 1u4g h SER 226 Ca 0.00 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.46 1u4g h SER 226 Cb 0.56 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.60 1u4g h SER 226 CO 0.00 0.00 0.50 1.23 -0.87 0.00 0.00 176.83 177.69 1u4g h GLY 227 N 1.26 0.73 0.95 -0.77 0.00 -1.67 -0.36 103.07 103.23 1u4g h GLY 227 Ca -0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.13 1u4g h GLY 227 CO 0.00 0.07 -0.04 -2.08 0.00 0.00 0.00 176.54 174.49 1u4g h VAL 228 N 0.45 0.95 0.00 4.60 2.07 -1.55 -0.27 116.25 122.50 1u4g h VAL 228 Ca 0.36 -0.11 -0.18 0.00 0.82 0.00 0.00 66.70 67.59 1u4g h VAL 228 Cb 0.78 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 1u4g h VAL 228 CO -0.12 0.03 -0.85 1.88 0.02 0.00 0.00 177.57 178.53 1u4g h TYR 229 N -0.17 0.03 -0.63 1.57 -1.99 -1.69 -2.21 116.97 111.88 1u4g h TYR 229 Ca -0.01 -0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.65 1u4g h TYR 229 Cb 0.14 -0.00 -0.03 0.00 2.00 0.00 0.00 36.73 38.84 1u4g h TYR 229 CO -0.06 0.86 0.18 -0.91 -0.00 0.00 0.00 178.16 178.23 1u4g h ASN 230 N 0.01 0.93 -0.06 3.88 2.35 -0.95 -0.70 115.58 121.04 1u4g h ASN 230 Ca -0.01 -0.22 -0.16 0.00 -0.55 0.00 0.00 56.30 55.36 1u4g h ASN 230 Cb 1.50 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 39.62 1u4g h ASN 230 CO 0.11 0.90 -0.51 -0.09 -1.65 0.00 0.00 177.43 176.20 1u4g h ARG 231 N 0.91 0.63 -0.89 0.81 2.43 -1.01 -1.27 114.38 115.98 1u4g h ARG 231 Ca 0.20 -0.37 -0.01 0.00 -0.81 0.00 0.00 59.98 58.99 1u4g h ARG 231 Cb 0.32 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 29.86 1u4g h ARG 231 CO -0.00 0.99 0.53 0.00 -1.51 0.00 0.00 179.97 179.97 1u4g h ALA 232 N 0.95 1.14 -0.44 2.80 0.00 -1.11 0.84 119.26 123.43 1u4g h ALA 232 Ca 0.02 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1u4g h ALA 232 Cb 1.05 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1u4g h ALA 232 CO 0.10 0.60 0.16 0.35 0.00 0.00 0.00 179.25 180.47 1u4g h PHE 233 N 1.23 0.68 -0.40 0.00 3.57 -0.88 -0.76 116.94 120.37 1u4g h PHE 233 Ca 0.32 -0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.76 1u4g h PHE 233 Cb -0.03 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.49 1u4g h PHE 233 CO 0.00 0.59 0.23 -0.92 -2.23 0.00 0.00 178.31 175.99 1u4g h TYR 234 N 0.56 0.54 -0.73 0.41 5.03 -0.65 0.90 116.97 123.03 1u4g h TYR 234 Ca 0.14 -0.01 -0.02 0.00 2.58 0.00 0.00 58.73 61.43 1u4g h TYR 234 Cb 0.21 -0.17 -0.03 0.00 1.55 0.00 0.00 36.73 38.28 1u4g h TYR 234 CO 0.00 0.39 0.38 -0.07 -1.32 0.00 0.00 178.16 177.55 1u4g h LEU 235 N 0.52 0.93 -0.06 2.82 3.38 -0.62 -1.99 115.31 120.29 1u4g h LEU 235 Ca 0.14 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1u4g h LEU 235 Cb 0.02 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 1u4g h LEU 235 CO -0.03 0.77 -0.03 0.25 0.09 0.00 0.00 178.44 179.50 1u4g h LEU 236 N 1.01 0.13 -1.99 1.67 5.85 -0.85 -2.72 115.31 118.40 1u4g h LEU 236 Ca 0.25 -0.42 0.01 0.00 0.84 0.00 0.00 57.88 58.56 1u4g h LEU 236 Cb 0.06 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.06 1u4g h LEU 236 CO -0.04 0.52 0.02 0.00 -0.34 0.00 0.00 178.44 178.60 1u4g h ALA 237 N 0.62 2.02 -0.57 1.25 0.00 -0.74 -1.30 119.26 120.53 1u4g h ALA 237 Ca 0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1u4g h ALA 237 Cb 0.47 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1u4g h ALA 237 CO 0.01 -0.02 0.00 0.09 0.00 0.00 0.00 179.25 179.32 1u4g n ASN 238 N -4.53 3.78 -4.80 0.00 3.02 -0.76 -3.34 115.26 108.63 1u4g n ASN 238 Ca -0.02 -2.23 -0.37 0.00 -0.03 0.00 0.00 54.58 51.92 1u4g n ASN 238 Cb 0.11 -0.48 -0.06 0.00 -0.61 0.00 0.00 39.78 38.74 1u4g n ASN 238 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1u4g s SER 239 N -0.89 7.19 0.23 6.41 0.01 -0.49 -4.99 113.70 121.17 1u4g s SER 239 Ca 0.42 1.55 -0.32 0.00 1.31 0.00 0.00 55.95 58.92 1u4g s SER 239 Cb 0.25 -2.47 -0.13 0.00 0.21 0.00 0.00 66.02 63.88 1u4g s SER 239 CO 0.23 0.06 1.49 -2.65 0.41 0.00 0.00 173.24 172.78 1u4g n PRO 240 N 0.91 2.20 0.00 12.44 -0.02 -1.26 -1.02 135.00 148.24 1u4g n PRO 240 Ca -0.02 0.78 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 1u4g n PRO 240 Cb 0.50 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.49 1u4g n PRO 240 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1u4g n GLY 241 N 2.52 1.38 3.76 -1.23 0.00 -1.26 -5.04 105.19 105.33 1u4g n GLY 241 Ca 0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 1u4g n GLY 241 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1u4g s TRP 242 N -2.32 2.66 0.33 1.61 0.52 -0.19 -5.07 118.94 116.48 1u4g s TRP 242 Ca 0.00 -0.50 -0.12 0.00 0.02 0.00 0.00 56.10 55.50 1u4g s TRP 242 Cb 0.00 -1.89 0.02 0.00 -1.15 0.00 0.00 33.47 30.45 1u4g s TRP 242 CO 0.00 0.18 0.63 0.16 0.02 0.00 0.00 176.95 177.94 1u4g s ASP 243 N -3.92 0.22 0.39 2.95 3.84 -1.21 -4.71 116.67 114.22 1u4g s ASP 243 Ca 0.41 -1.13 0.09 0.00 -0.00 0.00 0.00 52.55 51.92 1u4g s ASP 243 Cb 0.00 0.73 0.85 0.00 -1.38 0.00 0.00 42.92 43.12 1u4g s ASP 243 CO 0.24 -1.42 1.96 0.74 -0.00 0.00 0.00 175.17 176.68 1u4g h THR 244 N 2.08 0.96 0.26 2.11 2.02 -1.95 -1.70 112.91 116.70 1u4g h THR 244 Ca -0.28 -0.21 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 1u4g h THR 244 Cb 1.25 0.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.94 1u4g h THR 244 CO 0.37 0.11 -0.13 -0.09 0.37 0.00 0.00 175.52 176.15 1u4g h ARG 245 N 0.63 -0.34 -0.81 6.66 2.43 -1.95 -1.13 114.38 119.86 1u4g h ARG 245 Ca 0.31 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.55 1u4g h ARG 245 Cb 0.39 0.08 -0.05 0.00 -0.42 0.00 0.00 29.97 29.96 1u4g h ARG 245 CO -0.10 -0.07 0.51 0.87 -1.51 0.00 0.00 179.97 179.67 1u4g h LYS 246 N -0.60 0.92 -0.53 0.20 1.57 -1.88 0.81 116.57 117.06 1u4g h LYS 246 Ca -0.04 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.66 1u4g h LYS 246 Cb 0.43 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1u4g h LYS 246 CO 0.06 0.61 0.23 0.00 -0.57 0.00 0.00 179.45 179.78 1u4g h ALA 247 N 1.37 0.69 -0.51 3.86 0.00 -1.28 -2.79 119.26 120.59 1u4g h ALA 247 Ca 0.34 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 55.01 1u4g h ALA 247 Cb 0.10 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1u4g h ALA 247 CO -0.14 0.28 -0.08 0.35 0.00 0.00 0.00 179.25 179.65 1u4g h PHE 248 N 0.72 1.01 -0.66 0.00 3.57 -0.45 -3.07 116.94 118.06 1u4g h PHE 248 Ca 0.18 -0.19 0.08 0.00 3.53 0.00 0.00 57.97 61.57 1u4g h PHE 248 Cb 0.16 -0.26 -0.07 0.00 2.79 0.00 0.00 35.95 38.58 1u4g h PHE 248 CO 0.00 0.95 0.31 0.93 -2.23 0.00 0.00 178.31 178.28 1u4g h GLU 249 N 0.83 0.54 0.00 1.11 5.08 -0.61 0.88 114.58 122.41 1u4g h GLU 249 Ca 0.14 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.38 1u4g h GLU 249 Cb 0.61 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1u4g h GLU 249 CO 0.04 0.36 -0.43 -0.39 -1.00 0.00 0.00 179.01 177.59 1u4g h VAL 250 N 0.56 1.12 0.10 3.13 -1.51 -1.42 -1.11 116.25 117.11 1u4g h VAL 250 Ca 0.32 -1.57 -0.27 0.00 -1.23 0.00 0.00 66.70 63.95 1u4g h VAL 250 Cb 0.32 1.90 0.01 0.00 -2.13 0.00 0.00 31.29 31.38 1u4g h VAL 250 CO -0.25 0.42 -1.17 -0.26 -1.23 0.00 0.00 177.57 175.08 1u4g h PHE 251 N 0.00 0.61 -0.35 5.19 0.04 -1.31 -2.34 116.94 118.78 1u4g h PHE 251 Ca -0.00 -0.41 -0.03 0.00 2.80 0.00 0.00 57.97 60.33 1u4g h PHE 251 Cb 0.86 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.96 1u4g h PHE 251 CO 0.00 1.28 0.09 0.28 -0.60 0.00 0.00 178.31 179.36 1u4g h VAL 252 N 0.14 1.22 -0.66 -0.55 2.07 -0.67 -0.44 116.25 117.36 1u4g h VAL 252 Ca -0.13 -0.74 0.03 0.00 0.82 0.00 0.00 66.70 66.68 1u4g h VAL 252 Cb 1.86 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 32.63 1u4g h VAL 252 CO 0.20 0.25 0.40 0.44 0.02 0.00 0.00 177.57 178.88 1u4g h ASP 253 N 0.42 0.65 -0.70 0.57 3.45 -1.24 0.89 116.42 120.46 1u4g h ASP 253 Ca 0.11 0.01 -0.02 0.00 0.43 0.00 0.00 57.03 57.56 1u4g h ASP 253 Cb 0.29 -0.13 -0.03 0.00 -0.56 0.00 0.00 39.33 38.90 1u4g h ASP 253 CO 0.00 0.45 0.35 0.00 -1.57 0.00 0.00 179.24 178.47 1u4g h ALA 254 N 1.29 0.90 -0.60 3.45 0.00 -1.12 0.18 119.26 123.35 1u4g h ALA 254 Ca 0.27 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1u4g h ALA 254 Cb 0.04 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.53 1u4g h ALA 254 CO -0.12 0.44 0.30 -0.97 0.00 0.00 0.00 179.25 178.90 1u4g h ASN 255 N 0.96 0.77 0.40 0.00 -0.00 -0.24 0.14 115.58 117.62 1u4g h ASN 255 Ca 0.24 -0.12 -0.25 0.00 -0.00 0.00 0.00 56.30 56.17 1u4g h ASN 255 Cb 0.09 -0.20 0.01 0.00 -0.00 0.00 0.00 38.32 38.22 1u4g h ASN 255 CO -0.03 0.68 -1.06 0.03 -0.00 0.00 0.00 177.43 177.04 1u4g h ARG 256 N 0.81 0.39 0.00 6.67 3.08 -0.50 -2.78 114.38 122.06 1u4g h ARG 256 Ca 0.21 -0.49 -0.05 0.00 0.07 0.00 0.00 59.98 59.71 1u4g h ARG 256 Cb 0.10 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1u4g h ARG 256 CO -0.03 1.17 -1.32 0.66 -1.07 0.00 0.00 179.97 179.38 1u4g n TYR 257 N -3.69 0.00 -0.02 3.04 4.01 0.59 -4.84 117.16 116.25 1u4g n TYR 257 Ca -0.08 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.63 1u4g n TYR 257 Cb 0.90 -0.21 -0.02 0.00 -0.31 0.00 0.00 39.34 39.71 1u4g n TYR 257 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 1u4g n TYR 258 N -1.97 0.00 -1.73 -0.72 4.01 -0.39 -5.05 117.16 111.32 1u4g n TYR 258 Ca -0.05 0.00 -0.35 0.00 -0.16 0.00 0.00 57.90 57.34 1u4g n TYR 258 Cb 0.43 -0.15 0.06 0.00 -0.31 0.00 0.00 39.34 39.37 1u4g n TYR 258 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 1u4g s TRP 259 N -2.08 2.29 0.45 -0.72 0.51 0.36 -4.98 118.94 114.77 1u4g s TRP 259 Ca -0.05 1.56 0.05 0.00 -2.12 0.00 0.00 56.10 55.54 1u4g s TRP 259 Cb 0.01 -3.43 -0.05 0.00 -0.81 0.00 0.00 33.47 29.20 1u4g s TRP 259 CO 0.09 -2.29 0.06 0.95 -0.51 0.00 0.00 176.95 175.25 1u4g s THR 260 N -1.88 1.76 0.55 2.01 -4.23 -1.26 -4.63 115.64 107.96 1u4g s THR 260 Ca 0.74 -1.91 0.33 0.00 -1.18 0.00 0.00 61.69 59.67 1u4g s THR 260 Cb -0.28 -2.68 0.36 0.00 1.34 0.00 0.00 72.50 71.25 1u4g s THR 260 CO 0.40 0.00 2.23 0.00 -0.54 0.00 0.00 174.62 176.71 1u4g h ALA 261 N 1.51 1.33 0.00 3.99 0.00 -1.66 -2.90 119.26 121.52 1u4g h ALA 261 Ca -0.43 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1u4g h ALA 261 Cb 1.27 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1u4g h ALA 261 CO 0.75 0.03 -0.24 0.25 0.00 0.00 0.00 179.25 180.05 1u4g n THR 262 N -3.60 2.03 -1.74 0.00 -2.24 -1.26 -1.70 114.28 105.76 1u4g n THR 262 Ca -0.03 -2.72 -0.38 0.00 -2.27 0.00 0.00 64.05 58.65 1u4g n THR 262 Cb 0.12 -0.24 0.05 0.00 -2.10 0.00 0.00 70.33 68.16 1u4g n THR 262 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1u4g n SER 263 N -1.28 2.64 -4.63 3.42 7.64 -1.10 -4.87 113.62 115.45 1u4g n SER 263 Ca 0.17 0.96 -0.26 0.00 1.01 0.00 0.00 58.87 60.75 1u4g n SER 263 Cb 0.67 -1.58 -0.01 0.00 -1.01 0.00 0.00 64.21 62.27 1u4g n SER 263 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1u4g n ASN 264 N -1.15 2.79 -0.07 6.43 2.04 -1.26 -3.33 115.26 120.71 1u4g n ASN 264 Ca 0.11 -2.84 -0.10 0.00 -0.44 0.00 0.00 54.58 51.31 1u4g n ASN 264 Cb 0.45 0.04 -0.04 0.00 -2.53 0.00 0.00 39.78 37.70 1u4g n ASN 264 CO 0.00 0.00 0.00 1.88 -0.44 0.00 0.00 177.26 178.70 1u4g h TYR 265 N 0.78 -1.03 0.04 -2.53 0.99 -1.96 0.96 116.97 114.21 1u4g h TYR 265 Ca -0.34 0.05 -0.00 0.00 2.00 0.00 0.00 58.73 60.44 1u4g h TYR 265 Cb 1.20 0.49 0.00 0.00 1.00 0.00 0.00 36.73 39.42 1u4g h TYR 265 CO 0.00 -0.42 -0.02 -0.91 -0.00 0.00 0.00 178.16 176.81 1u4g h ASN 266 N -0.35 -0.04 0.23 3.88 -0.26 -1.96 -1.91 115.58 115.17 1u4g h ASN 266 Ca 0.13 -0.11 -0.07 0.00 -0.56 0.00 0.00 56.30 55.69 1u4g h ASN 266 Cb 0.57 0.01 -0.01 0.00 -1.06 0.00 0.00 38.32 37.83 1u4g h ASN 266 CO -0.47 0.08 -0.28 0.77 -1.06 0.00 0.00 177.43 176.47 1u4g h SER 267 N -0.16 0.10 0.10 5.81 4.64 -1.80 -2.61 113.55 119.62 1u4g h SER 267 Ca -0.00 -0.03 -0.10 0.00 -0.47 0.00 0.00 61.79 61.18 1u4g h SER 267 Cb 0.14 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.20 1u4g h SER 267 CO 0.01 0.38 -0.35 1.23 -0.87 0.00 0.00 176.83 177.23 1u4g h GLY 268 N 0.94 0.39 1.69 -0.77 0.00 -0.58 -2.99 103.07 101.74 1u4g h GLY 268 Ca 0.01 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 46.97 1u4g h GLY 268 CO 0.04 0.32 0.06 0.00 0.00 0.00 0.00 176.54 176.95 1u4g h ALA 269 N 1.33 1.58 -0.47 3.60 0.00 -0.95 -2.79 119.26 121.55 1u4g h ALA 269 Ca 0.04 -0.12 0.07 0.00 0.00 0.00 0.00 54.91 54.89 1u4g h ALA 269 Cb 0.77 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.37 1u4g h ALA 269 CO 0.06 0.32 0.13 0.00 0.00 0.00 0.00 179.25 179.76 1u4g h GLY 271 N 0.28 0.33 0.92 0.00 0.00 -1.62 -0.66 103.07 102.32 1u4g h GLY 271 Ca 0.23 -0.25 -0.15 0.00 0.00 0.00 0.00 47.33 47.16 1u4g h GLY 271 CO -0.27 0.23 -0.50 -2.08 0.00 0.00 0.00 176.54 173.92 1u4g h VAL 272 N 0.28 1.35 -0.58 4.60 2.07 -1.37 -0.80 116.25 121.79 1u4g h VAL 272 Ca 0.05 -1.78 -0.05 0.00 0.82 0.00 0.00 66.70 65.73 1u4g h VAL 272 Cb 0.57 2.08 -0.02 0.00 -1.52 0.00 0.00 31.29 32.40 1u4g h VAL 272 CO 0.04 0.54 0.18 0.40 0.02 0.00 0.00 177.57 178.75 1u4g h ILE 273 N 0.21 1.24 -0.79 4.57 2.04 -1.12 -1.51 117.51 122.16 1u4g h ILE 273 Ca -0.02 -0.82 -0.04 0.00 1.00 0.00 0.00 64.86 64.97 1u4g h ILE 273 Cb 1.13 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 37.85 1u4g h ILE 273 CO 0.11 0.31 0.32 -0.09 0.00 0.00 0.00 178.15 178.79 1u4g h ARG 274 N 0.82 1.17 -0.54 2.37 2.43 -1.09 -1.99 114.38 117.56 1u4g h ARG 274 Ca 0.19 -0.21 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 1u4g h ARG 274 Cb 0.29 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1u4g h ARG 274 CO -0.01 0.94 0.09 0.77 -1.51 0.00 0.00 179.97 180.26 1u4g h SER 275 N 1.14 0.80 -0.57 -3.80 0.02 -0.73 -0.29 113.55 110.13 1u4g h SER 275 Ca 0.26 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 1u4g h SER 275 Cb 0.21 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 1u4g h SER 275 CO -0.02 0.81 0.31 0.00 -1.14 0.00 0.00 176.83 176.79 1u4g h ALA 276 N 1.29 0.73 -0.86 3.77 0.00 -0.76 -1.92 119.26 121.50 1u4g h ALA 276 Ca 0.17 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1u4g h ALA 276 Cb 0.36 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 1u4g h ALA 276 CO 0.01 0.25 0.51 1.96 0.00 0.00 0.00 179.25 181.98 1u4g h GLN 277 N 0.76 1.17 -0.72 0.00 4.20 -0.67 0.19 115.11 120.04 1u4g h GLN 277 Ca 0.20 -0.11 0.02 0.00 0.06 0.00 0.00 58.65 58.82 1u4g h GLN 277 Cb 0.05 -0.24 -0.04 0.00 0.30 0.00 0.00 27.48 27.55 1u4g h GLN 277 CO -0.03 0.83 0.48 -0.91 -0.67 0.00 0.00 178.83 178.52 1u4g h ASN 278 N 1.18 0.79 -0.23 1.46 -0.26 -0.54 -1.71 115.58 116.27 1u4g h ASN 278 Ca 0.31 -0.01 0.00 0.00 -0.56 0.00 0.00 56.30 56.03 1u4g h ASN 278 Cb -0.04 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 37.03 1u4g h ASN 278 CO -0.06 0.55 0.00 0.54 -1.06 0.00 0.00 177.43 177.41 1u4g n ARG 279 N -4.44 1.92 -2.74 0.81 1.74 -0.77 -4.93 116.66 108.25 1u4g n ARG 279 Ca 0.08 -1.39 -0.17 0.00 -0.77 0.00 0.00 57.85 55.61 1u4g n ARG 279 Cb 0.08 -1.41 0.02 0.00 -1.02 0.00 0.00 32.46 30.13 1u4g n ARG 279 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1u4g n ASN 280 N 0.61 -4.96 -5.00 0.55 5.03 -0.62 -5.02 115.26 105.85 1u4g n ASN 280 Ca 0.17 -0.18 -0.18 0.00 0.87 0.00 0.00 54.58 55.25 1u4g n ASN 280 Cb 0.39 -3.86 0.02 0.00 -1.02 0.00 0.00 39.78 35.31 1u4g n ASN 280 CO 0.00 0.00 0.00 -0.31 -1.83 0.00 0.00 177.26 175.12 1u4g s TYR 281 N -2.98 2.74 -0.33 3.10 2.02 0.58 -5.01 117.35 117.47 1u4g s TYR 281 Ca 0.19 -0.35 -0.29 0.00 -0.37 0.00 0.00 57.07 56.26 1u4g s TYR 281 Cb -0.08 -2.44 -0.01 0.00 -0.40 0.00 0.00 41.96 39.02 1u4g s TYR 281 CO 0.23 -0.54 1.62 0.45 -1.57 0.00 0.00 175.55 175.74 1u4g s SER 282 N -4.38 6.16 0.32 2.29 0.15 -1.26 -4.32 113.70 112.65 1u4g s SER 282 Ca 0.56 1.21 0.08 0.00 0.70 0.00 0.00 55.95 58.50 1u4g s SER 282 Cb -0.10 -2.53 0.53 0.00 -1.71 0.00 0.00 66.02 62.21 1u4g s SER 282 CO 0.34 -1.51 1.74 0.00 1.20 0.00 0.00 173.24 175.02 1u4g h ALA 283 N 11.62 1.19 -0.42 5.45 0.00 -1.89 -2.99 119.26 132.23 1u4g h ALA 283 Ca -0.31 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.21 1u4g h ALA 283 Cb 1.14 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 1u4g h ALA 283 CO 1.04 0.55 0.23 0.00 0.00 0.00 0.00 179.25 181.07 1u4g h ALA 284 N 1.44 0.54 -0.91 0.00 0.00 -1.97 -0.04 119.26 118.32 1u4g h ALA 284 Ca 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1u4g h ALA 284 Cb 0.75 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1u4g h ALA 284 CO 0.06 0.07 0.55 -0.44 0.00 0.00 0.00 179.25 179.48 1u4g h ASP 285 N 0.54 1.09 -0.25 0.00 3.32 -1.94 0.12 116.42 119.31 1u4g h ASP 285 Ca 0.15 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.08 1u4g h ASP 285 Cb 0.07 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 1u4g h ASP 285 CO -0.02 0.84 -0.05 0.58 -1.72 0.00 0.00 179.24 178.87 1u4g h VAL 286 N 1.25 1.28 -0.71 -1.35 2.07 -1.40 -1.53 116.25 115.86 1u4g h VAL 286 Ca 0.33 -1.03 0.04 0.00 0.82 0.00 0.00 66.70 66.85 1u4g h VAL 286 Cb -0.05 1.44 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 1u4g h VAL 286 CO -0.06 0.32 0.44 0.74 0.02 0.00 0.00 177.57 179.03 1u4g h THR 287 N 0.22 1.07 -0.56 2.57 2.02 -0.58 -1.91 112.91 115.75 1u4g h THR 287 Ca 0.07 -0.29 -0.07 0.00 0.77 0.00 0.00 66.41 66.88 1u4g h THR 287 Cb 0.50 0.15 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 1u4g h THR 287 CO 0.02 0.15 0.07 -0.09 0.37 0.00 0.00 175.52 176.04 1u4g h ARG 288 N 0.85 0.94 -0.62 6.66 2.43 -0.67 -0.92 114.38 123.06 1u4g h ARG 288 Ca 0.29 -0.27 0.02 0.00 -0.81 0.00 0.00 59.98 59.22 1u4g h ARG 288 Cb 0.05 -0.10 -0.04 0.00 -0.42 0.00 0.00 29.97 29.46 1u4g h ARG 288 CO -0.12 0.92 0.39 0.00 -1.51 0.00 0.00 179.97 179.64 1u4g h ALA 289 N 0.99 0.80 -0.22 2.80 0.00 -0.81 -1.37 119.26 121.44 1u4g h ALA 289 Ca 0.17 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 1u4g h ALA 289 Cb 0.45 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 1u4g h ALA 289 CO 0.02 0.15 -0.19 0.74 0.00 0.00 0.00 179.25 179.97 1u4g h PHE 290 N 0.78 0.62 -0.14 0.00 0.04 -1.16 -3.10 116.94 113.97 1u4g h PHE 290 Ca 0.24 -0.18 -0.03 0.00 2.80 0.00 0.00 57.97 60.81 1u4g h PHE 290 Cb -0.02 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 37.99 1u4g h PHE 290 CO -0.05 0.85 -0.02 0.66 -0.60 0.00 0.00 178.31 179.15 1u4g h SER 291 N 0.21 0.19 0.22 2.17 4.64 -0.86 0.27 113.55 120.39 1u4g h SER 291 Ca 0.04 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.31 1u4g h SER 291 Cb 0.73 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 62.77 1u4g h SER 291 CO 0.05 0.25 -0.14 0.74 -0.87 0.00 0.00 176.83 176.86 1u4g h THR 292 N 0.21 0.89 -0.48 2.95 2.02 -1.18 -1.77 112.91 115.54 1u4g h THR 292 Ca 0.05 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 66.71 1u4g h THR 292 Cb 0.19 1.30 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1u4g h THR 292 CO 0.01 0.14 0.00 1.33 0.37 0.00 0.00 175.52 177.36 1u4g n VAL 293 N -4.06 2.54 -1.13 3.16 0.24 -0.43 -4.94 118.33 113.71 1u4g n VAL 293 Ca -0.02 -1.54 -0.04 0.00 -2.04 0.00 0.00 64.34 60.70 1u4g n VAL 293 Cb 0.22 -0.23 -0.02 0.00 -1.47 0.00 0.00 33.84 32.35 1u4g n VAL 293 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1u4g n GLY 294 N 0.30 0.67 3.45 7.63 0.00 -0.66 -0.45 105.19 116.12 1u4g n GLY 294 Ca 0.25 -0.90 -0.33 0.00 0.00 0.00 0.00 46.02 45.05 1u4g n GLY 294 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u4g s VAL 295 N -2.14 3.34 -0.03 1.61 1.01 -0.05 -4.61 120.40 119.53 1u4g s VAL 295 Ca 0.00 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.37 1u4g s VAL 295 Cb 0.00 -2.40 0.01 0.00 0.00 0.00 0.00 36.38 33.99 1u4g s VAL 295 CO 0.00 0.54 0.10 0.42 0.00 0.00 0.00 175.10 176.16 1u4g s THR 296 N -0.00 0.01 0.03 3.92 -4.23 -1.26 -2.50 115.64 111.60 1u4g s THR 296 Ca -0.02 -0.11 -0.30 0.00 -1.18 0.00 0.00 61.69 60.08 1u4g s THR 296 Cb -0.14 -0.19 -0.05 0.00 1.34 0.00 0.00 72.50 73.46 1u4g s THR 296 CO 0.04 -0.06 1.29 0.00 -0.54 0.00 0.00 174.62 175.35