#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huj n GLN 2 N 0.00 0.05 -4.03 1.20 6.02 -1.26 -4.70 117.38 114.67 3huj n GLN 2 Ca 0.00 0.01 -0.30 0.00 -0.01 0.00 0.00 57.00 56.69 3huj n GLN 2 Cb 0.00 -1.52 -0.16 0.00 1.02 0.00 0.00 30.24 29.57 3huj n GLN 2 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3huj s VAL 3 N -3.03 1.61 0.03 5.09 1.01 -1.26 -0.04 120.40 123.80 3huj s VAL 3 Ca 0.10 -0.66 0.07 0.00 0.00 0.00 0.00 61.98 61.49 3huj s VAL 3 Cb 0.17 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 3huj s VAL 3 CO 0.73 0.46 -0.19 -1.61 0.00 0.00 0.00 175.10 174.49 3huj s GLU 4 N 1.47 2.09 0.06 2.72 2.02 0.28 -4.32 118.70 123.03 3huj s GLU 4 Ca 0.05 -0.96 0.07 0.00 0.02 0.00 0.00 54.97 54.15 3huj s GLU 4 Cb -0.13 -2.18 -0.03 0.00 0.10 0.00 0.00 34.13 31.90 3huj s GLU 4 CO -0.11 0.55 -0.19 -0.65 0.02 0.00 0.00 175.26 174.88 3huj s GLN 5 N -1.27 1.18 -0.04 1.61 -0.21 -1.26 -0.15 119.66 119.51 3huj s GLN 5 Ca 0.14 -0.96 -0.06 0.00 0.02 0.00 0.00 55.36 54.50 3huj s GLN 5 Cb -0.10 -1.30 0.01 0.00 1.00 0.00 0.00 33.01 32.62 3huj s GLN 5 CO 0.04 0.32 0.14 0.45 -2.12 0.00 0.00 175.29 174.12 3huj s SER 6 N -1.39 -0.10 1.16 5.90 0.15 -0.77 -4.45 113.70 114.20 3huj s SER 6 Ca 0.05 0.16 -0.18 0.00 0.70 0.00 0.00 55.95 56.68 3huj s SER 6 Cb -0.09 0.28 0.26 0.00 -1.71 0.00 0.00 66.02 64.76 3huj s SER 6 CO 0.02 -0.14 1.04 -0.81 1.20 0.00 0.00 173.24 174.55 3huj n PRO 7 N 2.56 -2.46 0.02 5.44 -0.04 -1.26 -0.23 135.00 139.03 3huj n PRO 7 Ca -0.15 -1.65 -0.14 0.00 -0.04 0.00 0.00 63.50 61.52 3huj n PRO 7 Cb 0.58 -1.41 -0.03 0.00 -0.04 0.00 0.00 33.50 32.61 3huj n PRO 7 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 3huj h GLN 8 N 0.00 0.60 -2.22 0.54 1.08 -1.88 -3.42 115.11 109.81 3huj h GLN 8 Ca -0.37 -0.50 -0.07 0.00 -1.45 0.00 0.00 58.65 56.25 3huj h GLN 8 Cb 1.11 0.11 -0.19 0.00 -0.05 0.00 0.00 27.48 28.46 3huj h GLN 8 CO 0.25 1.13 0.09 -1.54 -0.95 0.00 0.00 178.83 177.80 3huj s SER 9 N -7.06 -0.57 0.03 1.46 1.04 -1.26 -1.70 113.70 105.65 3huj s SER 9 Ca -0.08 0.64 -0.05 0.00 0.48 0.00 0.00 55.95 56.94 3huj s SER 9 Cb 0.09 0.55 -0.01 0.00 0.10 0.00 0.00 66.02 66.75 3huj s SER 9 CO 0.88 -0.55 0.08 -1.48 0.98 0.00 0.00 173.24 173.15 3huj s LEU 10 N -1.11 1.84 -0.17 2.42 2.34 -0.18 -4.93 118.68 118.89 3huj s LEU 10 Ca -0.11 -0.49 0.01 0.00 0.06 0.00 0.00 54.13 53.61 3huj s LEU 10 Cb -0.01 0.54 0.01 0.00 -0.56 0.00 0.00 46.19 46.17 3huj s LEU 10 CO 0.08 -0.46 -0.19 -0.63 -1.06 0.00 0.00 176.35 174.10 3huj s ILE 11 N -2.28 2.24 0.23 1.48 1.01 -1.26 -1.54 121.20 121.08 3huj s ILE 11 Ca -0.08 -0.89 0.03 0.00 0.00 0.00 0.00 60.65 59.71 3huj s ILE 11 Cb -0.03 -1.94 -0.05 0.00 0.01 0.00 0.00 42.46 40.45 3huj s ILE 11 CO -0.03 0.53 0.00 0.27 0.00 0.00 0.00 174.94 175.71 3huj s ILE 12 N 1.14 1.00 0.22 2.92 -4.36 -0.47 -5.00 121.20 116.64 3huj s ILE 12 Ca 0.01 -2.03 -0.05 0.00 -0.26 0.00 0.00 60.65 58.32 3huj s ILE 12 Cb -0.14 -2.37 -0.05 0.00 1.25 0.00 0.00 42.46 41.15 3huj s ILE 12 CO -0.08 -0.30 0.46 -0.76 0.24 0.00 0.00 174.94 174.50 3huj s LEU 13 N -3.31 4.17 0.61 0.37 1.43 -1.26 -0.36 118.68 120.34 3huj s LEU 13 Ca 0.29 0.64 -0.18 0.00 -1.03 0.00 0.00 54.13 53.85 3huj s LEU 13 Cb 0.06 -3.41 -0.05 0.00 0.03 0.00 0.00 46.19 42.82 3huj s LEU 13 CO 0.09 -0.07 0.95 -1.84 0.23 0.00 0.00 176.35 175.71 3huj n GLU 14 N -0.45 0.85 0.00 1.70 0.28 0.74 -3.10 120.64 120.67 3huj n GLU 14 Ca -0.02 0.33 0.00 0.00 -0.16 0.00 0.00 57.16 57.31 3huj n GLU 14 Cb 0.53 -2.15 0.00 0.00 1.43 0.00 0.00 31.44 31.25 3huj n GLU 14 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3huj n GLY 15 N 1.31 3.07 3.92 -1.84 0.00 0.19 -4.72 105.19 107.12 3huj n GLY 15 Ca 0.14 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 3huj n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3huj s LYS 16 N -0.59 2.77 0.08 1.61 3.01 -1.18 -4.30 119.74 121.15 3huj s LYS 16 Ca 0.00 -0.03 0.01 0.00 -1.01 0.00 0.00 55.97 54.94 3huj s LYS 16 Cb 0.00 -2.24 -0.04 0.00 -1.01 0.00 0.00 37.83 34.54 3huj s LYS 16 CO 0.00 -0.82 0.18 -0.80 0.51 0.00 0.00 175.35 174.42 3huj s ASN 17 N -4.35 6.11 0.04 2.83 0.01 -1.26 -0.08 114.94 118.23 3huj s ASN 17 Ca 0.55 0.17 -0.02 0.00 -0.71 0.00 0.00 52.86 52.85 3huj s ASN 17 Cb -0.11 -1.81 -0.02 0.00 0.41 0.00 0.00 41.25 39.72 3huj s ASN 17 CO 0.45 0.15 0.01 0.00 -1.51 0.00 0.00 177.10 176.20 3huj s THR 19 N -2.67 2.01 -0.02 0.00 2.01 -1.26 -1.31 115.64 114.40 3huj s THR 19 Ca -0.05 -1.05 0.04 0.00 0.31 0.00 0.00 61.69 60.94 3huj s THR 19 Cb -0.01 -1.70 -0.03 0.00 0.01 0.00 0.00 72.50 70.77 3huj s THR 19 CO -0.05 0.56 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.56 3huj s LEU 20 N -0.20 2.92 0.05 4.42 1.43 0.34 -4.82 118.68 122.82 3huj s LEU 20 Ca -0.02 -0.19 0.04 0.00 -1.03 0.00 0.00 54.13 52.94 3huj s LEU 20 Cb -0.13 -1.65 -0.04 0.00 0.03 0.00 0.00 46.19 44.40 3huj s LEU 20 CO 0.03 0.32 -0.05 -1.10 0.23 0.00 0.00 176.35 175.77 3huj s GLN 21 N -1.06 2.46 -0.03 1.70 -1.52 0.68 -0.44 119.66 121.46 3huj s GLN 21 Ca 0.14 -0.82 -0.00 0.00 -1.95 0.00 0.00 55.36 52.73 3huj s GLN 21 Cb -0.11 -2.47 0.03 0.00 -0.22 0.00 0.00 33.01 30.24 3huj s GLN 21 CO 0.03 0.57 0.02 0.00 -0.25 0.00 0.00 175.29 175.66 3huj s ASN 23 N 1.18 2.42 0.06 0.00 0.01 0.79 -0.70 114.94 118.70 3huj s ASN 23 Ca -0.08 -0.40 0.04 0.00 -0.71 0.00 0.00 52.86 51.71 3huj s ASN 23 Cb -0.13 -0.74 -0.03 0.00 0.41 0.00 0.00 41.25 40.77 3huj s ASN 23 CO -0.03 0.17 -0.12 -0.72 -1.51 0.00 0.00 177.10 174.89 3huj s TYR 24 N 0.06 1.07 -1.80 2.20 -0.85 -0.94 0.10 117.35 117.20 3huj s TYR 24 Ca -0.06 -0.43 0.16 0.00 -0.52 0.00 0.00 57.07 56.22 3huj s TYR 24 Cb -0.13 -0.62 0.25 0.00 0.38 0.00 0.00 41.96 41.84 3huj s TYR 24 CO 0.03 0.02 1.16 0.25 -1.52 0.00 0.00 175.55 175.49 3huj n THR 25 N 1.52 0.38 -1.69 -3.49 -2.24 0.94 -4.81 114.28 104.89 3huj n THR 25 Ca -0.20 -0.69 -0.44 0.00 -2.27 0.00 0.00 64.05 60.44 3huj n THR 25 Cb 0.54 1.02 -0.04 0.00 -2.10 0.00 0.00 70.33 69.76 3huj n THR 25 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3huj n VAL 26 N 0.95 0.04 -3.87 2.28 0.31 -1.25 -5.01 118.33 111.79 3huj n VAL 26 Ca 0.12 -0.01 -0.15 0.00 -0.01 0.00 0.00 64.34 64.30 3huj n VAL 26 Cb 0.45 -1.75 -0.15 0.00 -0.91 0.00 0.00 33.84 31.48 3huj n VAL 26 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3huj s SER 27 N 1.20 0.17 1.11 4.52 0.01 -1.26 -4.22 113.70 115.22 3huj s SER 27 Ca 0.78 0.00 -0.17 0.00 1.31 0.00 0.00 55.95 57.87 3huj s SER 27 Cb -0.60 -0.08 0.25 0.00 0.21 0.00 0.00 66.02 65.79 3huj s SER 27 CO 0.36 -0.07 1.16 -2.16 0.41 0.00 0.00 173.24 172.94 3huj s PRO 28 N 0.66 -0.46 -0.13 12.44 0.04 -1.26 -5.04 135.00 141.25 3huj s PRO 28 Ca -0.06 -0.07 0.00 0.00 0.04 0.00 0.00 61.00 60.92 3huj s PRO 28 Cb -0.09 -1.69 -0.01 0.00 0.04 0.00 0.00 34.50 32.76 3huj s PRO 28 CO -0.02 -3.20 -0.14 0.12 0.04 0.00 0.00 177.00 173.80 3huj s PHE 29 N -3.23 2.79 -0.12 0.56 5.36 -1.26 -4.42 117.98 117.66 3huj s PHE 29 Ca 0.70 -0.74 -0.10 0.00 -0.96 0.00 0.00 56.93 55.84 3huj s PHE 29 Cb -0.10 -1.84 -0.05 0.00 -0.34 0.00 0.00 43.02 40.69 3huj s PHE 29 CO 0.55 -0.27 -0.21 0.45 -1.46 0.00 0.00 175.22 174.28 3huj n SER 30 N 3.62 1.39 -3.44 6.13 2.88 -0.28 -4.87 113.62 119.04 3huj n SER 30 Ca -0.18 0.23 -0.11 0.00 -1.33 0.00 0.00 58.87 57.47 3huj n SER 30 Cb 0.53 -0.53 -0.02 0.00 -0.75 0.00 0.00 64.21 63.43 3huj n SER 30 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3huj s ASN 31 N -6.21 -0.52 -0.02 -3.46 2.20 -1.09 -3.86 114.94 101.97 3huj s ASN 31 Ca -0.20 0.01 0.03 0.00 -0.94 0.00 0.00 52.86 51.76 3huj s ASN 31 Cb 0.06 0.54 0.00 0.00 -2.00 0.00 0.00 41.25 39.85 3huj s ASN 31 CO 0.27 -0.87 -0.10 -0.22 -2.94 0.00 0.00 177.10 173.24 3huj s LEU 32 N -2.65 1.83 0.12 3.54 2.96 -0.87 -0.36 118.68 123.25 3huj s LEU 32 Ca 0.02 -0.20 0.09 0.00 -0.22 0.00 0.00 54.13 53.82 3huj s LEU 32 Cb -0.01 -0.58 -0.04 0.00 0.50 0.00 0.00 46.19 46.06 3huj s LEU 32 CO -0.12 0.08 -0.20 -0.13 -1.32 0.00 0.00 176.35 174.66 3huj s ARG 33 N 0.12 1.68 -0.09 1.98 3.00 0.13 -2.24 118.95 123.53 3huj s ARG 33 Ca -0.02 -1.22 0.02 0.00 0.00 0.00 0.00 55.73 54.51 3huj s ARG 33 Cb -0.08 -2.06 -0.02 0.00 0.00 0.00 0.00 34.95 32.80 3huj s ARG 33 CO 0.00 0.47 -0.16 -1.58 0.00 0.00 0.00 175.30 174.04 3huj s TRP 34 N -1.12 2.70 0.01 -0.53 0.52 -0.50 -1.51 118.94 118.51 3huj s TRP 34 Ca 0.17 -0.54 0.08 0.00 0.02 0.00 0.00 56.10 55.83 3huj s TRP 34 Cb -0.10 -1.73 -0.02 0.00 -1.15 0.00 0.00 33.47 30.46 3huj s TRP 34 CO 0.09 -0.11 -0.24 0.71 0.02 0.00 0.00 176.95 177.42 3huj s TYR 35 N -0.05 2.14 -0.17 -1.98 1.51 -0.14 -0.35 117.35 118.32 3huj s TYR 35 Ca -0.04 -0.40 -0.03 0.00 -1.01 0.00 0.00 57.07 55.59 3huj s TYR 35 Cb -0.14 -1.33 -0.02 0.00 -0.11 0.00 0.00 41.96 40.36 3huj s TYR 35 CO 0.04 0.04 -0.06 0.21 -1.11 0.00 0.00 175.55 174.67 3huj s LYS 36 N -0.89 3.53 -0.22 -0.62 2.20 -0.34 -0.36 119.74 123.05 3huj s LYS 36 Ca 0.10 -0.58 0.01 0.00 -0.36 0.00 0.00 55.97 55.13 3huj s LYS 36 Cb -0.09 -2.88 0.05 0.00 -1.51 0.00 0.00 37.83 33.40 3huj s LYS 36 CO 0.01 0.12 -0.07 -1.14 -0.36 0.00 0.00 175.35 173.91 3huj s GLN 37 N 0.65 1.71 0.52 4.03 0.74 -0.22 -0.90 119.66 126.20 3huj s GLN 37 Ca -0.03 -0.91 -0.19 0.00 0.05 0.00 0.00 55.36 54.28 3huj s GLN 37 Cb -0.15 -2.49 -0.07 0.00 1.10 0.00 0.00 33.01 31.41 3huj s GLN 37 CO 0.02 -0.54 1.05 -0.51 -0.55 0.00 0.00 175.29 174.77 3huj s ASP 38 N 1.42 6.12 -0.24 6.67 1.11 -1.26 -1.55 116.67 128.93 3huj s ASP 38 Ca -0.04 1.92 -0.39 0.00 0.18 0.00 0.00 52.55 54.23 3huj s ASP 38 Cb -0.18 -2.55 -0.15 0.00 1.07 0.00 0.00 42.92 41.11 3huj s ASP 38 CO -0.07 -0.94 1.80 0.41 1.18 0.00 0.00 175.17 177.55 3huj n THR 39 N -1.31 0.37 -0.79 -1.27 -1.04 -1.26 -0.89 114.28 108.10 3huj n THR 39 Ca 0.09 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 3huj n THR 39 Cb 0.52 -1.39 0.00 0.00 -1.82 0.00 0.00 70.33 67.64 3huj n THR 39 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3huj n GLY 40 N 4.36 0.79 3.74 3.41 0.00 -1.26 -5.04 105.19 111.19 3huj n GLY 40 Ca 0.26 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 46.00 3huj n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3huj s ARG 41 N -0.21 2.16 0.35 1.61 1.81 -0.06 -5.14 118.95 119.45 3huj s ARG 41 Ca 0.00 -2.08 -0.14 0.00 -1.72 0.00 0.00 55.73 51.79 3huj s ARG 41 Cb 0.00 -1.80 -0.08 0.00 -0.45 0.00 0.00 34.95 32.62 3huj s ARG 41 CO 0.00 -0.23 0.75 0.20 -0.68 0.00 0.00 175.30 175.34 3huj s GLY 42 N -3.90 2.25 0.37 -3.53 0.00 -1.26 -4.63 107.32 96.62 3huj s GLY 42 Ca 0.30 0.00 -0.27 0.00 0.00 0.00 0.00 44.72 44.75 3huj s GLY 42 CO 0.16 0.21 1.29 -1.05 0.00 0.00 0.00 173.10 173.71 3huj n PRO 43 N -0.59 2.09 -5.16 2.90 -0.02 -1.26 -4.58 135.00 128.38 3huj n PRO 43 Ca 0.03 0.74 -0.32 0.00 -2.02 0.00 0.00 63.50 61.93 3huj n PRO 43 Cb 0.53 -2.36 -0.16 0.00 -0.02 0.00 0.00 33.50 31.49 3huj n PRO 43 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3huj s VAL 44 N -1.13 2.34 -0.28 -1.45 1.01 -0.08 -4.93 120.40 115.88 3huj s VAL 44 Ca 0.57 -0.97 -0.29 0.00 0.00 0.00 0.00 61.98 61.29 3huj s VAL 44 Cb -0.54 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 33.96 3huj s VAL 44 CO 0.61 0.57 1.44 -0.55 0.00 0.00 0.00 175.10 177.17 3huj s SER 45 N -0.31 6.52 -0.12 3.32 0.15 -1.26 -1.20 113.70 120.80 3huj s SER 45 Ca 0.01 1.34 -0.11 0.00 0.70 0.00 0.00 55.95 57.89 3huj s SER 45 Cb -0.13 -2.54 -0.09 0.00 -1.71 0.00 0.00 66.02 61.55 3huj s SER 45 CO 0.02 -1.19 0.25 -0.07 1.20 0.00 0.00 173.24 173.46 3huj h LEU 46 N 11.35 0.00 -7.85 3.45 3.38 -1.05 -3.48 115.31 121.11 3huj h LEU 46 Ca -0.29 -0.35 -0.12 0.00 0.09 0.00 0.00 57.88 57.21 3huj h LEU 46 Cb 1.12 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.70 3huj h LEU 46 CO 1.02 0.70 -0.48 0.42 0.09 0.00 0.00 178.44 180.20 3huj s THR 47 N -1.82 0.13 -0.02 0.22 -4.23 -1.18 -4.72 115.64 104.02 3huj s THR 47 Ca -0.08 -1.05 0.01 0.00 -1.18 0.00 0.00 61.69 59.39 3huj s THR 47 Cb -0.01 -0.93 0.01 0.00 1.34 0.00 0.00 72.50 72.91 3huj s THR 47 CO 0.25 -0.58 -0.05 -0.63 -0.54 0.00 0.00 174.62 173.07 3huj s ILE 48 N -2.68 0.48 0.03 2.99 1.01 -1.26 -1.41 121.20 120.36 3huj s ILE 48 Ca -0.04 -0.17 -0.08 0.00 0.00 0.00 0.00 60.65 60.36 3huj s ILE 48 Cb -0.01 -0.47 -0.00 0.00 0.01 0.00 0.00 42.46 41.99 3huj s ILE 48 CO -0.05 0.18 0.16 0.00 0.00 0.00 0.00 174.94 175.23 3huj s MET 49 N 0.43 0.63 0.53 2.79 0.23 -0.95 -5.01 119.30 117.95 3huj s MET 49 Ca -0.05 -0.63 0.07 0.00 -1.03 0.00 0.00 55.69 54.04 3huj s MET 49 Cb -0.09 0.26 0.04 0.00 -1.53 0.00 0.00 34.83 33.51 3huj s MET 49 CO -0.00 -0.17 0.47 0.95 -2.03 0.00 0.00 175.02 174.24 3huj s THR 50 N -2.42 1.87 0.40 3.16 -4.23 -1.26 -2.05 115.64 111.11 3huj s THR 50 Ca -0.06 -1.38 0.25 0.00 -1.18 0.00 0.00 61.69 59.31 3huj s THR 50 Cb -0.02 -2.25 0.41 0.00 1.34 0.00 0.00 72.50 71.98 3huj s THR 50 CO -0.03 0.00 1.59 0.15 -0.54 0.00 0.00 174.62 175.79 3huj h PHE 51 N 0.68 0.71 -0.56 3.99 3.57 -1.90 -1.50 116.94 121.93 3huj h PHE 51 Ca -0.36 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.17 3huj h PHE 51 Cb 1.30 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.87 3huj h PHE 51 CO 0.82 -0.37 0.00 -1.13 -2.23 0.00 0.00 178.31 175.39 3huj n SER 52 N -5.03 3.69 -4.32 0.41 3.41 -1.26 -4.77 113.62 105.75 3huj n SER 52 Ca 0.38 -2.23 -0.31 0.00 -0.26 0.00 0.00 58.87 56.45 3huj n SER 52 Cb 1.37 -0.48 -0.16 0.00 -0.26 0.00 0.00 64.21 64.69 3huj n SER 52 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3huj s GLU 53 N -1.57 2.27 -0.16 4.33 2.02 -0.57 -5.03 118.70 120.00 3huj s GLU 53 Ca 0.41 -0.89 0.12 0.00 0.02 0.00 0.00 54.97 54.62 3huj s GLU 53 Cb 0.25 -2.12 -0.23 0.00 0.10 0.00 0.00 34.13 32.13 3huj s GLU 53 CO 0.23 0.52 0.22 0.09 0.02 0.00 0.00 175.26 176.34 3huj n ASN 54 N 2.55 0.76 -3.74 -0.19 4.13 -1.26 -4.56 115.26 112.95 3huj n ASN 54 Ca -0.16 0.11 -0.14 0.00 1.68 0.00 0.00 54.58 56.07 3huj n ASN 54 Cb 0.51 0.30 -0.09 0.00 -1.54 0.00 0.00 39.78 38.97 3huj n ASN 54 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 3huj s THR 55 N -2.53 0.05 -0.15 3.41 -1.32 -1.26 0.84 115.64 114.67 3huj s THR 55 Ca -0.14 -0.39 -0.12 0.00 -1.21 0.00 0.00 61.69 59.82 3huj s THR 55 Cb 0.07 -0.63 0.04 0.00 -1.51 0.00 0.00 72.50 70.47 3huj s THR 55 CO 0.79 -0.22 0.40 -0.75 -2.21 0.00 0.00 174.62 172.63 3huj s LYS 56 N -1.17 0.44 -0.02 7.08 2.47 0.64 -4.98 119.74 124.19 3huj s LYS 56 Ca -0.12 0.62 0.08 0.00 -1.56 0.00 0.00 55.97 54.98 3huj s LYS 56 Cb -0.05 0.15 -0.02 0.00 -1.46 0.00 0.00 37.83 36.46 3huj s LYS 56 CO 0.04 -0.08 -0.25 -1.12 0.16 0.00 0.00 175.35 174.10 3huj s SER 57 N 0.55 3.13 -0.33 1.43 0.01 -1.26 -0.59 113.70 116.64 3huj s SER 57 Ca -0.03 -0.45 -0.01 0.00 1.31 0.00 0.00 55.95 56.77 3huj s SER 57 Cb -0.04 -0.39 0.12 0.00 0.21 0.00 0.00 66.02 65.91 3huj s SER 57 CO -0.03 0.32 0.17 0.21 0.41 0.00 0.00 173.24 174.32 3huj s ASN 58 N -0.61 3.40 1.61 2.44 3.84 0.11 -5.02 114.94 120.71 3huj s ASN 58 Ca 0.10 -1.84 0.00 0.00 0.21 0.00 0.00 52.86 51.32 3huj s ASN 58 Cb -0.10 -0.52 0.00 0.00 -0.55 0.00 0.00 41.25 40.08 3huj s ASN 58 CO -0.01 -0.37 0.00 0.61 -2.79 0.00 0.00 177.10 174.55 3huj n GLY 59 N 4.52 3.92 0.07 1.21 0.00 -1.26 -1.75 105.19 111.89 3huj n GLY 59 Ca 0.03 0.17 0.15 0.00 0.00 0.00 0.00 46.02 46.37 3huj n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3huj n ARG 60 N 14.00 0.65 -3.54 1.61 1.74 -1.26 -4.76 116.66 125.10 3huj n ARG 60 Ca 0.00 -0.13 -0.37 0.00 -0.77 0.00 0.00 57.85 56.58 3huj n ARG 60 Cb 0.00 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 29.86 3huj n ARG 60 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3huj s TYR 62 N -2.44 3.36 -0.16 -1.55 2.02 -0.72 -1.58 117.35 116.28 3huj s TYR 62 Ca 0.31 0.43 0.01 0.00 -0.37 0.00 0.00 57.07 57.45 3huj s TYR 62 Cb 0.20 -2.38 0.02 0.00 -0.40 0.00 0.00 41.96 39.41 3huj s TYR 62 CO 0.45 0.07 -0.16 0.99 -1.57 0.00 0.00 175.55 175.33 3huj s THR 63 N 1.05 1.70 -0.18 -0.71 2.01 -0.23 -0.71 115.64 118.58 3huj s THR 63 Ca 0.13 -0.72 -0.10 0.00 0.31 0.00 0.00 61.69 61.31 3huj s THR 63 Cb -0.14 -1.58 -0.05 0.00 0.01 0.00 0.00 72.50 70.74 3huj s THR 63 CO 0.05 0.48 0.17 0.00 -0.69 0.00 0.00 174.62 174.63 3huj s ALA 64 N 1.43 3.70 0.21 7.40 0.00 0.25 -0.18 121.76 134.57 3huj s ALA 64 Ca 0.05 -0.63 0.10 0.00 0.00 0.00 0.00 51.96 51.48 3huj s ALA 64 Cb -0.13 -2.19 -0.04 0.00 0.00 0.00 0.00 23.12 20.76 3huj s ALA 64 CO -0.11 0.22 -0.10 0.95 0.00 0.00 0.00 175.76 176.71 3huj s THR 65 N 0.16 3.11 -0.03 0.00 -4.23 0.11 -0.26 115.64 114.50 3huj s THR 65 Ca 0.11 -1.82 -0.01 0.00 -1.18 0.00 0.00 61.69 58.79 3huj s THR 65 Cb -0.12 -2.57 0.03 0.00 1.34 0.00 0.00 72.50 71.18 3huj s THR 65 CO 0.00 -0.20 0.07 -0.22 -0.54 0.00 0.00 174.62 173.73 3huj s LEU 66 N -3.06 1.08 -0.47 4.79 2.96 0.25 -1.53 118.68 122.69 3huj s LEU 66 Ca 0.26 0.13 0.03 0.00 -0.22 0.00 0.00 54.13 54.33 3huj s LEU 66 Cb -0.08 0.09 0.12 0.00 0.50 0.00 0.00 46.19 46.83 3huj s LEU 66 CO 0.16 -0.12 0.21 -0.62 -1.32 0.00 0.00 176.35 174.66 3huj s ASP 67 N 0.95 4.59 0.40 3.68 -1.08 0.12 -4.52 116.67 120.81 3huj s ASP 67 Ca -0.08 -2.69 0.08 0.00 -0.52 0.00 0.00 52.55 49.35 3huj s ASP 67 Cb -0.11 -1.67 0.86 0.00 -1.46 0.00 0.00 42.92 40.54 3huj s ASP 67 CO -0.03 -0.31 2.03 0.00 0.52 0.00 0.00 175.17 177.38 3huj h ALA 68 N 6.97 1.75 0.00 3.66 0.00 -1.86 -1.13 119.26 128.65 3huj h ALA 68 Ca -0.06 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.82 3huj h ALA 68 Cb 0.94 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3huj h ALA 68 CO 0.64 0.19 0.00 -0.44 0.00 0.00 0.00 179.25 179.64 3huj h ASP 69 N 0.58 0.00 0.00 0.00 3.32 -1.94 -2.76 116.42 115.62 3huj h ASP 69 Ca 0.20 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.25 3huj h ASP 69 Cb 0.10 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3huj h ASP 69 CO -0.05 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 177.82 3huj n THR 70 N -2.59 0.54 -3.87 0.35 -2.24 -0.51 -5.01 114.28 100.94 3huj n THR 70 Ca -0.01 -0.65 -0.25 0.00 -2.27 0.00 0.00 64.05 60.87 3huj n THR 70 Cb 0.13 0.80 0.01 0.00 -2.10 0.00 0.00 70.33 69.16 3huj n THR 70 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3huj n LYS 71 N -0.27 -4.21 -4.48 -0.78 5.02 -0.71 -4.89 118.16 107.84 3huj n LYS 71 Ca 0.00 0.51 -0.22 0.00 -2.02 0.00 0.00 58.31 56.58 3huj n LYS 71 Cb 0.23 -4.95 -0.16 0.00 -0.02 0.00 0.00 35.03 30.14 3huj n LYS 71 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 3huj s GLN 72 N -6.36 1.25 0.01 1.97 2.00 -1.09 -2.21 119.66 115.23 3huj s GLN 72 Ca 0.14 -0.35 0.04 0.00 -2.00 0.00 0.00 55.36 53.19 3huj s GLN 72 Cb -0.07 -1.12 -0.01 0.00 0.80 0.00 0.00 33.01 32.61 3huj s GLN 72 CO 0.85 0.08 -0.11 0.45 -0.50 0.00 0.00 175.29 176.07 3huj s SER 73 N 0.39 1.31 -0.05 6.67 0.15 0.12 -0.71 113.70 121.58 3huj s SER 73 Ca -0.07 -0.28 0.06 0.00 0.70 0.00 0.00 55.95 56.35 3huj s SER 73 Cb -0.12 -0.12 -0.01 0.00 -1.71 0.00 0.00 66.02 64.06 3huj s SER 73 CO 0.02 0.08 -0.24 -0.44 1.20 0.00 0.00 173.24 173.85 3huj s SER 74 N -0.57 3.14 -0.39 5.45 0.01 -0.58 0.18 113.70 120.93 3huj s SER 74 Ca 0.02 -0.49 -0.15 0.00 1.31 0.00 0.00 55.95 56.65 3huj s SER 74 Cb -0.05 -0.78 0.01 0.00 0.21 0.00 0.00 66.02 65.40 3huj s SER 74 CO 0.00 0.26 0.29 -0.22 0.41 0.00 0.00 173.24 173.98 3huj s LEU 75 N -0.25 4.93 -0.13 2.44 2.96 0.42 -0.71 118.68 128.35 3huj s LEU 75 Ca -0.01 -0.75 -0.14 0.00 -0.22 0.00 0.00 54.13 53.01 3huj s LEU 75 Cb -0.13 -2.17 -0.05 0.00 0.50 0.00 0.00 46.19 44.34 3huj s LEU 75 CO 0.03 -0.40 0.32 -2.28 -1.32 0.00 0.00 176.35 172.70 3huj s HIS 76 N 1.73 3.51 -0.20 5.38 5.65 0.75 -0.50 115.29 131.60 3huj s HIS 76 Ca 0.06 0.68 -0.03 0.00 0.25 0.00 0.00 55.06 56.02 3huj s HIS 76 Cb -0.18 -2.33 -0.01 0.00 -1.18 0.00 0.00 32.58 28.87 3huj s HIS 76 CO 0.10 0.31 -0.06 0.42 -0.65 0.00 0.00 174.74 174.87 3huj s ILE 77 N 0.19 3.30 -0.16 0.89 1.01 -0.43 -1.06 121.20 124.94 3huj s ILE 77 Ca 0.18 -0.53 -0.16 0.00 0.00 0.00 0.00 60.65 60.15 3huj s ILE 77 Cb -0.14 -2.48 -0.04 0.00 0.01 0.00 0.00 42.46 39.81 3huj s ILE 77 CO 0.06 0.45 0.40 -0.89 0.00 0.00 0.00 174.94 174.95 3huj s THR 78 N 1.26 5.23 -0.67 2.92 2.01 -0.62 -2.57 115.64 123.20 3huj s THR 78 Ca 0.03 0.75 -0.06 0.00 0.31 0.00 0.00 61.69 62.72 3huj s THR 78 Cb -0.14 -3.73 0.01 0.00 0.01 0.00 0.00 72.50 68.64 3huj s THR 78 CO -0.02 0.32 0.66 0.00 -0.69 0.00 0.00 174.62 174.89 3huj n ALA 79 N 3.92 -2.65 -1.76 7.40 0.00 -1.20 -4.88 120.51 121.34 3huj n ALA 79 Ca -0.09 0.24 -0.39 0.00 0.00 0.00 0.00 53.44 53.20 3huj n ALA 79 Cb 0.51 -1.94 0.02 0.00 0.00 0.00 0.00 19.45 18.05 3huj n ALA 79 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3huj s SER 80 N -2.82 5.83 0.26 0.00 1.04 0.89 -4.60 113.70 114.30 3huj s SER 80 Ca 0.08 2.80 0.02 0.00 0.48 0.00 0.00 55.95 59.33 3huj s SER 80 Cb -0.02 -2.64 -0.05 0.00 0.10 0.00 0.00 66.02 63.40 3huj s SER 80 CO 0.78 -1.19 0.07 0.00 0.98 0.00 0.00 173.24 173.88 3huj s GLN 81 N -2.53 1.42 0.53 4.02 -2.07 -1.26 0.57 119.66 120.35 3huj s GLN 81 Ca 0.63 -1.76 0.21 0.00 -1.82 0.00 0.00 55.36 52.61 3huj s GLN 81 Cb -0.41 -0.44 1.35 0.00 -1.09 0.00 0.00 33.01 32.42 3huj s GLN 81 CO 0.52 -0.23 2.08 -0.07 -1.32 0.00 0.00 175.29 176.27 3huj h LEU 82 N 2.37 0.00 -0.45 2.60 3.38 -1.93 -0.44 115.31 120.84 3huj h LEU 82 Ca -0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.58 3huj h LEU 82 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3huj h LEU 82 CO 0.63 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.62 3huj n SER 83 N -4.43 0.67 -0.00 -0.43 3.41 -1.26 -2.68 113.62 108.90 3huj n SER 83 Ca 0.03 0.63 0.14 0.00 -0.26 0.00 0.00 58.87 59.41 3huj n SER 83 Cb 0.32 -0.78 0.65 0.00 -0.26 0.00 0.00 64.21 64.14 3huj n SER 83 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3huj n ASP 84 N -2.20 0.01 -4.55 4.04 10.43 -0.17 -4.64 116.55 119.47 3huj n ASP 84 Ca 0.03 0.33 -0.37 0.00 2.57 0.00 0.00 54.79 57.36 3huj n ASP 84 Cb 0.29 -0.44 -0.03 0.00 1.84 0.00 0.00 41.12 42.78 3huj n ASP 84 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 3huj n SER 85 N -1.44 2.33 -2.35 -2.24 7.64 -1.09 -4.84 113.62 111.62 3huj n SER 85 Ca 0.09 -0.46 -0.05 0.00 1.01 0.00 0.00 58.87 59.46 3huj n SER 85 Cb 0.32 -1.57 0.02 0.00 -1.01 0.00 0.00 64.21 61.96 3huj n SER 85 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3huj n ALA 86 N 15.63 -1.44 -3.19 -0.43 0.00 -0.93 -4.80 120.51 125.35 3huj n ALA 86 Ca 0.37 -0.81 -0.36 0.00 0.00 0.00 0.00 53.44 52.64 3huj n ALA 86 Cb 0.53 0.59 -0.13 0.00 0.00 0.00 0.00 19.45 20.44 3huj n ALA 86 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3huj s SER 87 N -2.51 4.86 -0.24 0.00 0.15 -0.60 -1.48 113.70 113.88 3huj s SER 87 Ca 0.13 -0.26 -0.10 0.00 0.70 0.00 0.00 55.95 56.42 3huj s SER 87 Cb -0.03 -1.86 -0.05 0.00 -1.71 0.00 0.00 66.02 62.38 3huj s SER 87 CO 0.07 -0.02 0.15 -0.31 1.20 0.00 0.00 173.24 174.33 3huj s TYR 88 N 1.49 3.29 -0.10 3.44 2.02 -0.52 -1.05 117.35 125.92 3huj s TYR 88 Ca 0.06 0.17 0.02 0.00 -0.37 0.00 0.00 57.07 56.95 3huj s TYR 88 Cb -0.15 -2.26 -0.01 0.00 -0.40 0.00 0.00 41.96 39.14 3huj s TYR 88 CO 0.01 0.04 -0.16 0.42 -1.57 0.00 0.00 175.55 174.29 3huj s ILE 89 N 1.07 2.79 -0.15 2.71 1.01 0.52 -1.02 121.20 128.12 3huj s ILE 89 Ca 0.07 -0.78 -0.13 0.00 0.00 0.00 0.00 60.65 59.81 3huj s ILE 89 Cb -0.14 -2.13 -0.05 0.00 0.01 0.00 0.00 42.46 40.16 3huj s ILE 89 CO 0.04 0.55 0.29 0.00 0.00 0.00 0.00 174.94 175.82 3huj s VAL 91 N 0.34 0.53 0.08 0.00 0.11 -0.57 -0.09 120.40 120.80 3huj s VAL 91 Ca 0.16 -0.17 0.06 0.00 -2.93 0.00 0.00 61.98 59.10 3huj s VAL 91 Cb -0.13 -0.52 -0.04 0.00 -1.53 0.00 0.00 36.38 34.16 3huj s VAL 91 CO 0.04 0.20 -0.07 -0.69 -3.33 0.00 0.00 175.10 171.25 3huj s VAL 92 N 0.56 3.56 -0.04 2.04 1.01 -0.55 0.18 120.40 127.17 3huj s VAL 92 Ca -0.07 -1.13 0.07 0.00 0.00 0.00 0.00 61.98 60.85 3huj s VAL 92 Cb -0.11 -2.65 -0.01 0.00 0.00 0.00 0.00 36.38 33.61 3huj s VAL 92 CO 0.00 0.16 -0.24 -0.55 0.00 0.00 0.00 175.10 174.47 3huj s SER 93 N -2.10 2.88 -0.11 3.32 0.15 0.51 -0.97 113.70 117.38 3huj s SER 93 Ca 0.22 -0.46 0.18 0.00 0.70 0.00 0.00 55.95 56.58 3huj s SER 93 Cb -0.11 -0.59 0.68 0.00 -1.71 0.00 0.00 66.02 64.29 3huj s SER 93 CO 0.14 0.26 1.59 -0.90 1.20 0.00 0.00 173.24 175.53 3huj n ASP 94 N 2.77 4.59 -3.76 5.45 3.85 -1.19 -1.13 116.55 127.13 3huj n ASP 94 Ca -0.17 -2.46 -0.13 0.00 -0.71 0.00 0.00 54.79 51.32 3huj n ASP 94 Cb 0.52 -0.55 -0.10 0.00 -1.35 0.00 0.00 41.12 39.64 3huj n ASP 94 CO 0.00 0.00 0.00 -0.60 -1.01 0.00 0.00 177.20 175.59 3huj s ARG 95 N -1.87 0.52 -0.07 0.11 6.06 -1.26 -4.58 118.95 117.86 3huj s ARG 95 Ca 0.49 0.20 0.01 0.00 -2.50 0.00 0.00 55.73 53.93 3huj s ARG 95 Cb 0.32 0.24 0.13 0.00 0.06 0.00 0.00 34.95 35.70 3huj s ARG 95 CO 0.23 -0.11 1.00 0.41 -2.50 0.00 0.00 175.30 174.33 3huj n GLY 96 N 2.20 2.19 1.99 8.12 0.00 -1.26 -4.69 105.19 113.74 3huj n GLY 96 Ca -0.17 -0.18 -0.07 0.00 0.00 0.00 0.00 46.02 45.60 3huj n GLY 96 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3huj n SER 97 N 0.17 -0.94 0.00 1.61 3.41 -1.26 -5.03 113.62 111.58 3huj n SER 97 Ca 0.09 -2.03 0.10 0.00 -0.26 0.00 0.00 58.87 56.77 3huj n SER 97 Cb 0.60 1.68 0.44 0.00 -0.26 0.00 0.00 64.21 66.67 3huj n SER 97 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3huj n THR 98 N -0.32 0.60 0.46 6.66 -2.24 -1.26 -2.50 114.28 115.67 3huj n THR 98 Ca -0.01 0.15 0.06 0.00 -2.27 0.00 0.00 64.05 61.98 3huj n THR 98 Cb 0.34 -0.81 0.28 0.00 -2.10 0.00 0.00 70.33 68.04 3huj n THR 98 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3huj n LEU 99 N -1.48 0.00 -4.78 3.22 4.32 -1.26 -4.88 117.00 112.14 3huj n LEU 99 Ca 0.05 0.48 -0.32 0.00 -0.02 0.00 0.00 56.01 56.21 3huj n LEU 99 Cb 0.23 -0.48 0.07 0.00 -1.62 0.00 0.00 43.42 41.61 3huj n LEU 99 CO 0.18 -0.27 0.71 -0.83 -1.22 0.00 0.00 177.39 175.96 3huj s GLY 100 N -2.97 1.80 -0.07 -0.72 0.00 -1.04 -4.94 107.32 99.37 3huj s GLY 100 Ca 0.07 0.29 0.02 0.00 0.00 0.00 0.00 44.72 45.09 3huj s GLY 100 CO 0.23 0.62 -0.11 -1.60 0.00 0.00 0.00 173.10 172.25 3huj s ARG 103 N -4.72 2.76 -0.16 2.90 3.52 -1.26 -4.96 118.95 117.04 3huj s ARG 103 Ca 0.62 -0.63 -0.10 0.00 -0.13 0.00 0.00 55.73 55.48 3huj s ARG 103 Cb -0.17 -2.51 -0.05 0.00 -1.56 0.00 0.00 34.95 30.66 3huj s ARG 103 CO 0.51 0.57 0.18 -0.51 -0.81 0.00 0.00 175.30 175.25 3huj s LEU 104 N -0.56 4.28 -0.21 -0.88 1.43 -1.26 -3.18 118.68 118.29 3huj s LEU 104 Ca 0.08 0.40 -0.02 0.00 -1.03 0.00 0.00 54.13 53.56 3huj s LEU 104 Cb -0.12 -2.17 0.01 0.00 0.03 0.00 0.00 46.19 43.93 3huj s LEU 104 CO 0.02 0.23 -0.09 -0.31 0.23 0.00 0.00 176.35 176.43 3huj s TYR 105 N -0.08 2.92 -0.17 0.29 1.51 -0.14 -4.98 117.35 116.69 3huj s TYR 105 Ca 0.13 -1.24 -0.10 0.00 -1.01 0.00 0.00 57.07 54.85 3huj s TYR 105 Cb -0.12 -2.04 -0.05 0.00 -0.11 0.00 0.00 41.96 39.64 3huj s TYR 105 CO 0.02 -0.65 0.15 -0.06 -1.11 0.00 0.00 175.55 173.89 3huj s PHE 106 N 1.40 3.47 0.94 2.71 0.40 -1.26 -1.48 117.98 124.16 3huj s PHE 106 Ca 0.05 0.42 -0.12 0.00 -0.60 0.00 0.00 56.93 56.67 3huj s PHE 106 Cb -0.14 -2.12 0.15 0.00 0.51 0.00 0.00 43.02 41.42 3huj s PHE 106 CO -0.06 0.41 1.10 0.20 0.70 0.00 0.00 175.22 177.56 3huj s GLY 107 N -0.01 1.59 0.04 4.36 0.00 0.87 -4.75 107.32 109.41 3huj s GLY 107 Ca 0.11 -0.27 0.28 0.00 0.00 0.00 0.00 44.72 44.84 3huj s GLY 107 CO 0.00 0.28 1.88 0.54 0.00 0.00 0.00 173.10 175.81 3huj n ARG 108 N -3.98 0.05 0.00 2.90 1.74 -1.26 -4.74 116.66 111.37 3huj n ARG 108 Ca 0.06 0.05 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 3huj n ARG 108 Cb 0.57 -1.56 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 3huj n ARG 108 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3huj n GLY 109 N 1.40 0.33 3.33 -0.13 0.00 -1.26 -4.99 105.19 103.88 3huj n GLY 109 Ca 0.07 -1.64 -0.34 0.00 0.00 0.00 0.00 46.02 44.10 3huj n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3huj s THR 110 N -2.87 3.29 -0.44 2.61 2.01 -0.19 -4.84 115.64 115.21 3huj s THR 110 Ca 0.00 -0.54 -0.25 0.00 0.31 0.00 0.00 61.69 61.21 3huj s THR 110 Cb 0.00 -2.46 0.02 0.00 0.01 0.00 0.00 72.50 70.07 3huj s THR 110 CO 0.00 0.46 0.88 -1.58 -0.69 0.00 0.00 174.62 173.69 3huj s GLN 111 N 1.09 3.56 -0.23 4.92 2.00 -0.69 -1.44 119.66 128.87 3huj s GLN 111 Ca 0.01 0.16 -0.08 0.00 -2.00 0.00 0.00 55.36 53.45 3huj s GLN 111 Cb -0.15 -3.90 -0.04 0.00 0.80 0.00 0.00 33.01 29.72 3huj s GLN 111 CO -0.01 -1.13 0.09 -1.17 -0.50 0.00 0.00 175.29 172.57 3huj s LEU 112 N 3.56 3.68 -0.16 3.68 2.96 -0.55 -1.01 118.68 130.84 3huj s LEU 112 Ca 0.35 -0.07 -0.02 0.00 -0.22 0.00 0.00 54.13 54.17 3huj s LEU 112 Cb -0.11 -1.98 -0.02 0.00 0.50 0.00 0.00 46.19 44.59 3huj s LEU 112 CO 0.24 0.03 -0.08 -0.89 -1.32 0.00 0.00 176.35 174.33 3huj s THR 113 N 1.22 3.38 -0.28 3.68 2.01 -0.59 -2.18 115.64 122.87 3huj s THR 113 Ca 0.05 -0.53 -0.05 0.00 0.31 0.00 0.00 61.69 61.48 3huj s THR 113 Cb -0.14 -2.47 0.02 0.00 0.01 0.00 0.00 72.50 69.92 3huj s THR 113 CO 0.04 0.49 0.03 -0.69 -0.69 0.00 0.00 174.62 173.80 3huj s VAL 114 N 0.63 3.50 0.26 3.82 1.01 -1.26 -1.36 120.40 127.00 3huj s VAL 114 Ca -0.05 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 61.02 3huj s VAL 114 Cb -0.15 -2.83 -0.05 0.00 0.00 0.00 0.00 36.38 33.36 3huj s VAL 114 CO 0.03 0.09 0.48 0.26 0.00 0.00 0.00 175.10 175.95 3huj s TRP 115 N 1.41 3.48 0.48 5.22 0.51 0.52 -4.67 118.94 125.89 3huj s TRP 115 Ca 0.01 0.47 -0.21 0.00 -2.12 0.00 0.00 56.10 54.24 3huj s TRP 115 Cb -0.17 -1.96 -0.07 0.00 -0.81 0.00 0.00 33.47 30.45 3huj s TRP 115 CO -0.00 0.26 1.10 -1.25 -0.51 0.00 0.00 176.95 176.55 3huj s PRO 116 N -3.55 3.71 -0.62 4.98 0.04 -1.26 -0.18 135.00 138.12 3huj s PRO 116 Ca 0.41 1.58 -0.25 0.00 0.04 0.00 0.00 61.00 62.77 3huj s PRO 116 Cb -0.11 -2.22 0.04 0.00 0.04 0.00 0.00 34.50 32.25 3huj s PRO 116 CO 0.30 -0.55 1.06 0.34 0.04 0.00 0.00 177.00 178.20 3huj s ASP 117 N -1.68 6.29 -0.66 6.66 -1.08 -1.26 -4.71 116.67 120.24 3huj s ASP 117 Ca 0.66 -0.42 -0.19 0.00 -0.52 0.00 0.00 52.55 52.08 3huj s ASP 117 Cb -0.23 -2.48 0.11 0.00 -1.46 0.00 0.00 42.92 38.86 3huj s ASP 117 CO 0.27 -1.45 0.79 -0.63 0.52 0.00 0.00 175.17 174.67 3huj s ILE 118 N 4.54 4.81 -0.72 4.11 -1.09 -1.26 -4.87 121.20 126.72 3huj s ILE 118 Ca 0.32 -1.10 0.24 0.00 -2.23 0.00 0.00 60.65 57.88 3huj s ILE 118 Cb -0.12 -4.55 0.05 0.00 -1.58 0.00 0.00 42.46 36.27 3huj s ILE 118 CO 0.18 -1.21 1.36 0.00 -1.23 0.00 0.00 174.94 174.04 3huj n GLN 119 N 6.35 0.23 -3.45 2.79 1.13 -1.26 -4.48 117.38 118.69 3huj n GLN 119 Ca -0.03 0.07 -0.27 0.00 -1.94 0.00 0.00 57.00 54.83 3huj n GLN 119 Cb 0.44 -1.65 -0.10 0.00 0.11 0.00 0.00 30.24 29.04 3huj n GLN 119 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 3huj n ASN 120 N -1.99 0.57 -4.76 1.08 3.02 -1.26 -5.13 115.26 106.80 3huj n ASN 120 Ca 0.04 -2.66 -0.35 0.00 -0.03 0.00 0.00 54.58 51.58 3huj n ASN 120 Cb 0.42 -0.61 0.04 0.00 -0.61 0.00 0.00 39.78 39.01 3huj n ASN 120 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 3huj s PRO 121 N -0.64 2.86 -0.41 3.52 0.02 -1.26 -5.02 135.00 134.07 3huj s PRO 121 Ca 0.32 1.64 0.09 0.00 0.02 0.00 0.00 61.00 63.08 3huj s PRO 121 Cb 0.06 -1.93 0.33 0.00 0.02 0.00 0.00 34.50 32.97 3huj s PRO 121 CO -0.16 -1.25 0.89 -3.47 -0.33 0.00 0.00 177.00 172.67 3huj n ASP 122 N -1.96 -0.61 -4.66 2.53 -0.08 -0.94 -5.04 116.55 105.78 3huj n ASP 122 Ca 0.12 -3.30 -0.42 0.00 -1.51 0.00 0.00 54.79 49.69 3huj n ASP 122 Cb 0.51 0.50 -0.03 0.00 2.34 0.00 0.00 41.12 44.44 3huj n ASP 122 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 3huj s PRO 123 N -1.19 4.14 -0.05 -0.67 0.04 -1.26 -4.65 135.00 131.37 3huj s PRO 123 Ca 0.32 2.58 -0.08 0.00 0.04 0.00 0.00 61.00 63.86 3huj s PRO 123 Cb 0.32 -4.10 0.01 0.00 0.04 0.00 0.00 34.50 30.77 3huj s PRO 123 CO -0.07 -0.94 0.20 0.00 0.04 0.00 0.00 177.00 176.23 3huj s ALA 124 N 4.29 -0.49 -0.13 8.56 0.00 -0.86 -0.78 121.76 132.36 3huj s ALA 124 Ca 0.87 0.34 -0.06 0.00 0.00 0.00 0.00 51.96 53.10 3huj s ALA 124 Cb -0.42 -0.16 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 3huj s ALA 124 CO 0.40 -0.15 0.08 0.08 0.00 0.00 0.00 175.76 176.17 3huj s VAL 125 N -0.52 5.02 0.24 0.00 1.01 -0.76 -0.83 120.40 124.56 3huj s VAL 125 Ca -0.06 0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.00 3huj s VAL 125 Cb -0.04 -3.19 -0.05 0.00 0.00 0.00 0.00 36.38 33.10 3huj s VAL 125 CO 0.01 0.58 -0.06 -0.31 0.00 0.00 0.00 175.10 175.32 3huj s TYR 126 N -0.65 1.72 -0.17 5.22 2.02 -0.60 -4.37 117.35 120.53 3huj s TYR 126 Ca 0.12 -0.76 -0.01 0.00 -0.37 0.00 0.00 57.07 56.05 3huj s TYR 126 Cb -0.12 -0.95 -0.01 0.00 -0.40 0.00 0.00 41.96 40.48 3huj s TYR 126 CO 0.02 0.17 -0.11 -1.14 -1.57 0.00 0.00 175.55 172.93 3huj s GLN 127 N -3.76 3.33 -0.18 -0.62 0.74 -1.26 -1.63 119.66 116.27 3huj s GLN 127 Ca 0.27 -0.68 -0.04 0.00 0.05 0.00 0.00 55.36 54.96 3huj s GLN 127 Cb 0.04 -2.76 -0.02 0.00 1.10 0.00 0.00 33.01 31.36 3huj s GLN 127 CO 0.09 0.01 -0.03 -0.51 -0.55 0.00 0.00 175.29 174.30 3huj s LEU 128 N 0.88 3.16 0.15 3.68 2.01 -0.67 -5.03 118.68 122.87 3huj s LEU 128 Ca -0.03 -0.21 -0.04 0.00 0.01 0.00 0.00 54.13 53.86 3huj s LEU 128 Cb -0.15 -1.78 -0.05 0.00 0.01 0.00 0.00 46.19 44.22 3huj s LEU 128 CO -0.00 0.10 0.37 -0.13 1.01 0.00 0.00 176.35 177.70 3huj s ARG 129 N 0.79 3.59 0.00 1.70 0.52 -1.26 -3.84 118.95 120.45 3huj s ARG 129 Ca -0.01 -0.16 0.00 0.00 -0.52 0.00 0.00 55.73 55.05 3huj s ARG 129 Cb -0.14 -2.86 0.00 0.00 0.52 0.00 0.00 34.95 32.47 3huj s ARG 129 CO 0.02 0.46 0.00 -0.40 0.02 0.00 0.00 175.30 175.40 3huj n ASP 130 N -0.05 0.00 0.06 0.23 5.75 -1.26 -5.05 116.55 116.23 3huj n ASP 130 Ca -0.03 0.00 -0.06 0.00 -0.01 0.00 0.00 54.79 54.69 3huj n ASP 130 Cb 0.52 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.51 3huj n ASP 130 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 3huj h SER 131 N 0.00 0.00 0.01 -1.12 0.02 -2.02 -3.47 113.55 106.97 3huj h SER 131 Ca 0.00 0.00 -0.33 0.00 -0.84 0.00 0.00 61.79 60.62 3huj h SER 131 Cb 0.00 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.49 3huj h SER 131 CO 0.00 0.91 -1.80 -0.24 -1.14 0.00 0.00 176.83 174.57 3huj n SER 134 N -3.28 1.91 -1.17 3.07 2.88 -1.26 -5.11 113.62 110.67 3huj n SER 134 Ca -0.02 0.37 -0.01 0.00 -1.33 0.00 0.00 58.87 57.88 3huj n SER 134 Cb 0.92 -0.90 -0.02 0.00 -0.75 0.00 0.00 64.21 63.47 3huj n SER 134 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3huj n ASP 135 N -4.30 0.05 -4.89 -3.46 5.75 -1.26 -5.10 116.55 103.34 3huj n ASP 135 Ca -0.41 -1.94 -0.29 0.00 -0.01 0.00 0.00 54.79 52.14 3huj n ASP 135 Cb 0.78 -0.03 0.03 0.00 -1.03 0.00 0.00 41.12 40.87 3huj n ASP 135 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3huj s LYS 136 N 0.00 3.16 0.00 0.11 3.01 -1.26 -4.89 119.74 119.87 3huj s LYS 136 Ca 0.16 0.43 0.00 0.00 -1.01 0.00 0.00 55.97 55.55 3huj s LYS 136 Cb 0.18 -2.12 0.00 0.00 -1.01 0.00 0.00 37.83 34.88 3huj s LYS 136 CO -0.08 -0.75 0.00 0.28 0.51 0.00 0.00 175.35 175.31 3huj n VAL 138 N -2.77 0.00 -3.99 3.17 0.31 -1.25 -4.88 118.33 108.92 3huj n VAL 138 Ca 0.05 0.00 -0.29 0.00 -0.01 0.00 0.00 64.34 64.09 3huj n VAL 138 Cb 0.56 0.00 -0.17 0.00 -0.91 0.00 0.00 33.84 33.33 3huj n VAL 138 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3huj s LEU 140 N 1.54 5.18 -0.29 0.00 2.96 -0.65 -1.34 118.68 126.08 3huj s LEU 140 Ca 0.05 -1.10 -0.21 0.00 -0.22 0.00 0.00 54.13 52.65 3huj s LEU 140 Cb -0.13 -2.12 -0.01 0.00 0.50 0.00 0.00 46.19 44.43 3huj s LEU 140 CO -0.10 -0.50 0.69 0.12 -1.32 0.00 0.00 176.35 175.24 3huj s PHE 141 N 1.62 3.24 0.11 5.38 5.36 0.10 -1.55 117.98 132.23 3huj s PHE 141 Ca 0.04 0.75 -0.02 0.00 -0.96 0.00 0.00 56.93 56.74 3huj s PHE 141 Cb -0.21 -3.02 -0.03 0.00 -0.34 0.00 0.00 43.02 39.42 3huj s PHE 141 CO 0.08 -0.45 0.06 -0.08 -1.46 0.00 0.00 175.22 173.36 3huj s THR 142 N 2.69 0.14 0.00 0.12 -1.32 -0.01 -0.66 115.64 116.60 3huj s THR 142 Ca 0.28 -1.78 0.00 0.00 -1.21 0.00 0.00 61.69 58.98 3huj s THR 142 Cb -0.15 -1.82 0.00 0.00 -1.51 0.00 0.00 72.50 69.02 3huj s THR 142 CO 0.11 -0.62 0.00 0.47 -2.21 0.00 0.00 174.62 172.37 3huj n ASP 143 N -0.04 -2.78 -4.83 8.08 8.00 -0.58 -2.04 116.55 122.36 3huj n ASP 143 Ca -0.09 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.11 3huj n ASP 143 Cb 0.63 -1.85 0.06 0.00 -0.02 0.00 0.00 41.12 39.94 3huj n ASP 143 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 3huj s PHE 144 N -1.81 3.11 0.77 1.24 -0.12 -1.26 -2.23 117.98 117.69 3huj s PHE 144 Ca 0.00 1.30 -0.13 0.00 -0.05 0.00 0.00 56.93 58.06 3huj s PHE 144 Cb 0.00 -2.94 0.18 0.00 -0.63 0.00 0.00 43.02 39.62 3huj s PHE 144 CO 0.00 -1.31 1.04 -0.40 -0.05 0.00 0.00 175.22 174.50 3huj n ASP 145 N -3.16 0.12 -0.61 1.98 5.75 -1.26 -4.34 116.55 115.03 3huj n ASP 145 Ca 0.07 -1.40 0.10 0.00 -0.01 0.00 0.00 54.79 53.55 3huj n ASP 145 Cb 0.55 -0.79 0.33 0.00 -1.03 0.00 0.00 41.12 40.17 3huj n ASP 145 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 3huj n SER 146 N -3.65 1.83 0.05 -1.12 7.64 -1.26 -3.29 113.62 113.82 3huj n SER 146 Ca 0.13 -1.78 0.11 0.00 1.01 0.00 0.00 58.87 58.35 3huj n SER 146 Cb 0.46 -0.14 0.05 0.00 -1.01 0.00 0.00 64.21 63.57 3huj n SER 146 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3huj n GLN 147 N 0.44 0.35 -2.49 1.43 1.13 -1.26 -4.86 117.38 112.12 3huj n GLN 147 Ca 0.16 0.03 -0.42 0.00 -1.94 0.00 0.00 57.00 54.83 3huj n GLN 147 Cb 0.34 -1.65 -0.03 0.00 0.11 0.00 0.00 30.24 29.01 3huj n GLN 147 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 3huj s THR 148 N -3.23 4.30 -0.19 5.09 2.01 -1.21 -5.03 115.64 117.38 3huj s THR 148 Ca 0.03 1.63 -0.01 0.00 0.31 0.00 0.00 61.69 63.65 3huj s THR 148 Cb 0.13 -4.05 0.00 0.00 0.01 0.00 0.00 72.50 68.60 3huj s THR 148 CO 0.78 0.06 -0.12 0.20 -0.69 0.00 0.00 174.62 174.85 3huj s ASN 149 N 1.25 3.74 -0.20 3.53 0.01 -1.26 -5.00 114.94 117.01 3huj s ASN 149 Ca 0.56 -0.51 -0.25 0.00 -0.71 0.00 0.00 52.86 51.95 3huj s ASN 149 Cb -0.25 -1.61 -0.01 0.00 0.41 0.00 0.00 41.25 39.79 3huj s ASN 149 CO 0.25 0.00 0.83 -0.69 -1.51 0.00 0.00 177.10 175.99 3huj s VAL 150 N 1.30 4.86 -0.00 1.60 1.01 -1.26 -3.87 120.40 124.04 3huj s VAL 150 Ca 0.04 1.61 -0.07 0.00 0.00 0.00 0.00 61.98 63.56 3huj s VAL 150 Cb -0.14 -4.13 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 3huj s VAL 150 CO -0.07 -0.02 0.26 -0.44 0.00 0.00 0.00 175.10 174.83 3huj s SER 151 N 1.24 6.49 -0.33 3.32 0.01 -1.26 -4.89 113.70 118.28 3huj s SER 151 Ca 0.37 0.56 -0.11 0.00 1.31 0.00 0.00 55.95 58.08 3huj s SER 151 Cb -0.16 -2.09 -0.00 0.00 0.21 0.00 0.00 66.02 63.98 3huj s SER 151 CO 0.10 0.27 0.19 -1.58 0.41 0.00 0.00 173.24 172.62 3huj s GLN 152 N -1.68 3.29 0.00 12.44 0.74 -1.26 -4.65 119.66 128.54 3huj s GLN 152 Ca 0.26 -0.76 0.00 0.00 0.05 0.00 0.00 55.36 54.91 3huj s GLN 152 Cb -0.13 -3.67 0.00 0.00 1.10 0.00 0.00 33.01 30.31 3huj s GLN 152 CO 0.15 -0.47 0.00 -1.13 -0.55 0.00 0.00 175.29 173.29 3huj n SER 153 N 5.02 -1.18 -1.97 6.67 3.41 -1.26 -5.08 113.62 119.23 3huj n SER 153 Ca -0.13 -0.05 -0.19 0.00 -0.26 0.00 0.00 58.87 58.24 3huj n SER 153 Cb 0.49 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.45 3huj n SER 153 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3huj n ASP 155 N -1.92 -2.11 0.09 4.04 3.85 -1.26 -5.07 116.55 114.17 3huj n ASP 155 Ca 0.00 0.04 -0.12 0.00 -0.71 0.00 0.00 54.79 54.00 3huj n ASP 155 Cb 0.00 -0.30 -0.06 0.00 -1.35 0.00 0.00 41.12 39.41 3huj n ASP 155 CO 0.00 0.00 0.00 -1.28 -1.01 0.00 0.00 177.20 174.91 3huj h SER 156 N -0.49 -0.38 -0.03 -1.12 0.87 -2.05 -3.25 113.55 107.09 3huj h SER 156 Ca -0.20 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 3huj h SER 156 Cb 0.67 0.15 0.00 0.00 -0.44 0.00 0.00 62.40 62.77 3huj h SER 156 CO 0.11 -0.21 0.00 0.47 -0.53 0.00 0.00 176.83 176.67 3huj n ASP 157 N -5.27 1.08 -4.39 6.23 8.00 -1.26 -4.79 116.55 116.15 3huj n ASP 157 Ca -0.07 -1.39 -0.33 0.00 0.71 0.00 0.00 54.79 53.71 3huj n ASP 157 Cb 0.18 -0.01 -0.14 0.00 -0.02 0.00 0.00 41.12 41.13 3huj n ASP 157 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3huj s VAL 158 N -1.98 3.10 -0.13 2.53 1.01 -1.23 -1.93 120.40 121.77 3huj s VAL 158 Ca 0.39 -0.65 0.01 0.00 0.00 0.00 0.00 61.98 61.73 3huj s VAL 158 Cb 0.21 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 3huj s VAL 158 CO 0.33 0.53 -0.15 -0.31 0.00 0.00 0.00 175.10 175.50 3huj s TYR 159 N 0.23 2.76 -0.05 5.22 1.51 -0.37 -4.75 117.35 121.90 3huj s TYR 159 Ca -0.08 -0.81 0.02 0.00 -1.01 0.00 0.00 57.07 55.19 3huj s TYR 159 Cb -0.15 -1.84 0.01 0.00 -0.11 0.00 0.00 41.96 39.87 3huj s TYR 159 CO 0.05 -0.32 -0.10 0.42 -1.11 0.00 0.00 175.55 174.49 3huj s ILE 160 N 0.48 0.97 0.67 2.71 1.01 -1.26 -1.36 121.20 124.43 3huj s ILE 160 Ca -0.11 -0.40 -0.09 0.00 0.00 0.00 0.00 60.65 60.06 3huj s ILE 160 Cb -0.16 -0.90 0.02 0.00 0.01 0.00 0.00 42.46 41.44 3huj s ILE 160 CO 0.05 0.31 1.02 0.42 0.00 0.00 0.00 174.94 176.74 3huj s THR 161 N 0.61 3.24 0.67 2.92 -4.23 0.15 -4.88 115.64 114.11 3huj s THR 161 Ca -0.12 0.16 -0.11 0.00 -1.18 0.00 0.00 61.69 60.44 3huj s THR 161 Cb -0.14 -3.36 -0.01 0.00 1.34 0.00 0.00 72.50 70.33 3huj s THR 161 CO 0.02 -0.42 1.06 -0.62 -0.54 0.00 0.00 174.62 174.12 3huj s ASP 162 N -4.38 5.80 0.51 3.99 3.68 -1.26 -4.52 116.67 120.49 3huj s ASP 162 Ca 0.57 1.25 -0.23 0.00 2.13 0.00 0.00 52.55 56.28 3huj s ASP 162 Cb -0.11 -2.17 -0.06 0.00 -1.45 0.00 0.00 42.92 39.13 3huj s ASP 162 CO 0.48 -1.12 1.32 -1.59 0.13 0.00 0.00 175.17 174.39 3huj s LYS 163 N -5.27 3.38 -0.01 4.34 -2.85 -1.26 -4.67 119.74 113.40 3huj s LYS 163 Ca 0.57 2.16 0.01 0.00 -1.00 0.00 0.00 55.97 57.70 3huj s LYS 163 Cb -0.11 -2.36 0.01 0.00 -2.06 0.00 0.00 37.83 33.31 3huj s LYS 163 CO 0.53 -0.97 -0.01 0.00 0.10 0.00 0.00 175.35 174.99 3huj s VAL 165 N 0.38 4.32 0.02 0.00 1.01 -1.26 -0.08 120.40 124.79 3huj s VAL 165 Ca -0.03 -0.75 -0.03 0.00 0.00 0.00 0.00 61.98 61.17 3huj s VAL 165 Cb -0.06 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.96 3huj s VAL 165 CO -0.01 -0.07 0.23 -1.48 0.00 0.00 0.00 175.10 173.77 3huj s LEU 166 N 1.53 4.36 -0.24 3.92 -0.00 -1.01 -4.99 118.68 122.25 3huj s LEU 166 Ca 0.02 0.41 -0.01 0.00 -0.00 0.00 0.00 54.13 54.55 3huj s LEU 166 Cb -0.18 -2.76 0.03 0.00 -0.00 0.00 0.00 46.19 43.27 3huj s LEU 166 CO 0.05 0.22 -0.09 -0.62 -0.00 0.00 0.00 176.35 175.92 3huj s ASP 167 N -2.04 4.17 -0.89 1.48 2.15 -1.26 -2.76 116.67 117.51 3huj s ASP 167 Ca 0.30 -0.90 -0.18 0.00 0.43 0.00 0.00 52.55 52.19 3huj s ASP 167 Cb -0.13 -1.63 0.14 0.00 -0.30 0.00 0.00 42.92 41.00 3huj s ASP 167 CO 0.20 -0.12 1.06 -0.04 -0.17 0.00 0.00 175.17 176.11 3huj s MET 168 N 1.29 3.56 0.12 4.34 -1.94 -0.38 -4.93 119.30 121.36 3huj s MET 168 Ca -0.00 -1.79 -0.25 0.00 -1.71 0.00 0.00 55.69 51.94 3huj s MET 168 Cb -0.17 -4.80 -0.06 0.00 2.01 0.00 0.00 34.83 31.81 3huj s MET 168 CO -0.06 -1.71 1.65 0.00 -0.01 0.00 0.00 175.02 174.90 3huj h ARG 169 N 8.75 -0.32 -0.07 2.03 3.08 -1.97 0.19 114.38 126.08 3huj h ARG 169 Ca 0.11 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.19 3huj h ARG 169 Cb 1.03 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.15 3huj h ARG 169 CO 1.07 -0.21 0.04 0.66 -1.07 0.00 0.00 179.97 180.46 3huj h SER 170 N -0.33 0.08 0.68 7.04 4.64 -1.97 -1.80 113.55 121.89 3huj h SER 170 Ca 0.06 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3huj h SER 170 Cb 0.40 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3huj h SER 170 CO -0.19 0.06 0.00 0.24 -0.87 0.00 0.00 176.83 176.07 3huj h MET 171 N 0.09 0.00 -5.94 4.77 2.86 -1.97 -3.47 114.93 111.27 3huj h MET 171 Ca 0.02 0.00 -0.37 0.00 -2.06 0.00 0.00 59.70 57.29 3huj h MET 171 Cb -0.01 0.00 0.11 0.00 0.06 0.00 0.00 31.60 31.76 3huj h MET 171 CO -0.01 0.00 -0.87 -3.47 1.06 0.00 0.00 176.91 173.63 3huj n ASP 172 N -2.40 -3.77 -3.88 1.22 4.64 0.00 -5.01 116.55 107.34 3huj n ASP 172 Ca 0.01 -0.84 -0.19 0.00 -1.38 0.00 0.00 54.79 52.39 3huj n ASP 172 Cb 0.22 -4.22 -0.16 0.00 -1.04 0.00 0.00 41.12 35.92 3huj n ASP 172 CO 0.00 0.00 0.00 0.12 -0.82 0.00 0.00 177.20 176.50 3huj s PHE 173 N -3.52 0.66 -0.08 -0.67 5.36 -0.88 -5.03 117.98 113.82 3huj s PHE 173 Ca 0.25 -0.16 0.03 0.00 -0.96 0.00 0.00 56.93 56.09 3huj s PHE 173 Cb -0.06 -0.61 -0.02 0.00 -0.34 0.00 0.00 43.02 41.99 3huj s PHE 173 CO 0.80 -0.18 -0.18 0.15 -1.46 0.00 0.00 175.22 174.36 3huj s LYS 174 N 0.93 2.84 -0.00 10.12 3.01 -1.26 -1.25 119.74 134.13 3huj s LYS 174 Ca -0.11 -0.77 0.00 0.00 -1.01 0.00 0.00 55.97 54.08 3huj s LYS 174 Cb -0.14 -2.39 0.00 0.00 -1.01 0.00 0.00 37.83 34.29 3huj s LYS 174 CO -0.00 0.38 -0.01 -1.54 0.51 0.00 0.00 175.35 174.70 3huj s SER 175 N -0.13 0.09 0.32 2.83 1.04 -1.11 -4.97 113.70 111.78 3huj s SER 175 Ca -0.03 -0.01 -0.20 0.00 0.48 0.00 0.00 55.95 56.19 3huj s SER 175 Cb -0.14 -0.02 -0.09 0.00 0.10 0.00 0.00 66.02 65.87 3huj s SER 175 CO 0.04 0.00 0.84 0.20 0.98 0.00 0.00 173.24 175.29 3huj s ASN 176 N 0.05 7.03 -0.02 7.02 0.01 -1.26 -2.41 114.94 125.35 3huj s ASN 176 Ca -0.00 1.55 -0.07 0.00 -0.71 0.00 0.00 52.86 53.63 3huj s ASN 176 Cb -0.01 -2.48 0.01 0.00 0.41 0.00 0.00 41.25 39.18 3huj s ASN 176 CO -0.00 -0.15 0.16 -0.94 -1.51 0.00 0.00 177.10 174.66 3huj s SER 177 N -1.92 -0.06 -0.07 -1.22 1.04 0.89 -1.53 113.70 110.82 3huj s SER 177 Ca 0.52 0.02 -0.04 0.00 0.48 0.00 0.00 55.95 56.93 3huj s SER 177 Cb -0.14 0.27 0.03 0.00 0.10 0.00 0.00 66.02 66.29 3huj s SER 177 CO 0.19 -0.26 0.17 0.00 0.98 0.00 0.00 173.24 174.32 3huj s ALA 178 N -0.83 -0.36 -0.07 5.32 0.00 0.17 0.19 121.76 126.18 3huj s ALA 178 Ca -0.09 0.66 0.01 0.00 0.00 0.00 0.00 51.96 52.54 3huj s ALA 178 Cb -0.05 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 3huj s ALA 178 CO 0.01 -0.14 -0.07 0.08 0.00 0.00 0.00 175.76 175.64 3huj s VAL 179 N 0.83 3.69 0.00 0.00 1.01 -1.26 -0.72 120.40 123.94 3huj s VAL 179 Ca -0.06 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.46 3huj s VAL 179 Cb -0.08 -2.51 -0.01 0.00 0.00 0.00 0.00 36.38 33.79 3huj s VAL 179 CO -0.04 0.60 -0.08 0.00 0.00 0.00 0.00 175.10 175.57 3huj s ALA 180 N -0.81 0.69 0.32 5.51 0.00 -0.45 -0.67 121.76 126.35 3huj s ALA 180 Ca 0.12 -0.43 0.01 0.00 0.00 0.00 0.00 51.96 51.67 3huj s ALA 180 Cb -0.11 -0.15 -0.02 0.00 0.00 0.00 0.00 23.12 22.85 3huj s ALA 180 CO 0.01 0.15 0.36 1.67 0.00 0.00 0.00 175.76 177.95 3huj s TRP 181 N -0.37 1.34 0.18 0.00 -2.14 -0.47 -0.35 118.94 117.14 3huj s TRP 181 Ca 0.02 -1.44 -0.13 0.00 2.66 0.00 0.00 56.10 57.21 3huj s TRP 181 Cb -0.04 -0.38 0.01 0.00 -3.10 0.00 0.00 33.47 29.95 3huj s TRP 181 CO -0.00 -0.98 0.39 0.45 -2.66 0.00 0.00 176.95 174.15 3huj s SER 182 N -3.28 -0.08 0.00 -2.66 0.15 -1.26 -1.23 113.70 105.33 3huj s SER 182 Ca 0.35 -0.71 0.25 0.00 0.70 0.00 0.00 55.95 56.55 3huj s SER 182 Cb 0.01 0.50 0.55 0.00 -1.71 0.00 0.00 66.02 65.37 3huj s SER 182 CO 0.22 -0.96 1.44 0.59 1.20 0.00 0.00 173.24 175.73 3huj n ASN 183 N -0.27 0.72 -4.67 5.45 5.03 -0.81 -4.84 115.26 115.87 3huj n ASN 183 Ca -0.08 -0.52 -0.41 0.00 0.87 0.00 0.00 54.58 54.44 3huj n ASN 183 Cb 0.63 0.25 -0.04 0.00 -1.02 0.00 0.00 39.78 39.59 3huj n ASN 183 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 3huj s LYS 184 N -2.82 4.28 0.23 3.52 1.02 -1.26 -4.96 119.74 119.74 3huj s LYS 184 Ca 0.15 0.93 -0.05 0.00 0.02 0.00 0.00 55.97 57.02 3huj s LYS 184 Cb 0.18 -3.57 0.23 0.00 -0.52 0.00 0.00 37.83 34.15 3huj s LYS 184 CO 0.64 -0.31 1.74 0.77 -0.92 0.00 0.00 175.35 177.28 3huj h SER 185 N 7.36 0.92 -0.47 2.83 0.02 -2.01 -3.02 113.55 119.18 3huj h SER 185 Ca -0.30 -0.21 -0.05 0.00 -0.84 0.00 0.00 61.79 60.40 3huj h SER 185 Cb 1.13 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.40 3huj h SER 185 CO 0.82 0.93 0.13 -2.24 -1.14 0.00 0.00 176.83 175.33 3huj h ASP 186 N 0.92 0.75 0.00 3.07 2.03 -2.00 -3.47 116.42 117.72 3huj h ASP 186 Ca 0.19 -0.13 0.00 0.00 -0.73 0.00 0.00 57.03 56.35 3huj h ASP 186 Cb 0.41 -0.20 0.00 0.00 -0.83 0.00 0.00 39.33 38.71 3huj h ASP 186 CO 0.01 0.74 0.00 0.33 -1.03 0.00 0.00 179.24 179.29 3huj n PHE 187 N -4.28 0.00 -4.45 4.15 -0.00 -1.15 -4.95 117.46 106.79 3huj n PHE 187 Ca 0.04 0.00 -0.34 0.00 -0.00 0.00 0.00 57.45 57.15 3huj n PHE 187 Cb 0.22 0.00 -0.12 0.00 -0.00 0.00 0.00 39.48 39.59 3huj n PHE 187 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3huj s ALA 188 N 0.00 3.04 -0.90 3.13 0.00 -1.26 -5.01 121.76 120.76 3huj s ALA 188 Ca 0.00 -0.83 0.13 0.00 0.00 0.00 0.00 51.96 51.26 3huj s ALA 188 Cb 0.00 -1.47 0.55 0.00 0.00 0.00 0.00 23.12 22.20 3huj s ALA 188 CO 0.00 0.35 1.40 0.00 0.00 0.00 0.00 175.76 177.51 3huj n ALA 190 N -1.55 2.01 0.00 0.00 0.00 -1.26 -3.91 120.51 115.80 3huj n ALA 190 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3huj n ALA 190 Cb 0.13 -1.41 0.00 0.00 0.00 0.00 0.00 19.45 18.18 3huj n ALA 190 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3huj n ASN 191 N -1.95 4.71 -0.32 0.00 3.02 -0.73 -4.77 115.26 115.22 3huj n ASN 191 Ca 0.05 0.00 0.24 0.00 -0.03 0.00 0.00 54.58 54.83 3huj n ASN 191 Cb 0.31 0.93 0.46 0.00 -0.61 0.00 0.00 39.78 40.86 3huj n ASN 191 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3huj h ALA 192 N 0.00 1.78 -0.88 5.41 0.00 -1.64 0.05 119.26 123.98 3huj h ALA 192 Ca 0.00 0.26 -0.60 0.00 0.00 0.00 0.00 54.91 54.57 3huj h ALA 192 Cb 0.03 0.35 -0.32 0.00 0.00 0.00 0.00 17.79 17.85 3huj h ALA 192 CO 0.00 -0.72 0.29 1.19 0.00 0.00 0.00 179.25 180.01 3huj n PHE 193 N -5.26 2.93 0.13 0.00 3.01 -1.26 -4.68 117.46 112.33 3huj n PHE 193 Ca 0.31 -2.62 -0.13 0.00 1.01 0.00 0.00 57.45 56.01 3huj n PHE 193 Cb 1.02 -1.03 -0.08 0.00 -0.01 0.00 0.00 39.48 39.38 3huj n PHE 193 CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 3huj h ASN 194 N 1.92 -0.26 0.00 4.37 -0.26 -1.30 -3.07 115.58 116.97 3huj h ASN 194 Ca 0.51 -0.17 0.00 0.00 -0.56 0.00 0.00 56.30 56.08 3huj h ASN 194 Cb 1.21 0.07 0.00 0.00 -1.06 0.00 0.00 38.32 38.54 3huj h ASN 194 CO 1.24 0.03 0.00 -0.46 -1.06 0.00 0.00 177.43 177.18 3huj n ASN 195 N -5.11 0.00 -4.70 5.81 0.23 -1.26 -4.73 115.26 105.49 3huj n ASN 195 Ca -0.09 -1.47 -0.27 0.00 -0.53 0.00 0.00 54.58 52.22 3huj n ASN 195 Cb 0.22 0.00 -0.07 0.00 -2.08 0.00 0.00 39.78 37.85 3huj n ASN 195 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 3huj s SER 196 N -1.27 5.00 -0.65 0.53 0.01 -1.16 -4.64 113.70 111.51 3huj s SER 196 Ca 0.01 -0.28 -0.23 0.00 1.31 0.00 0.00 55.95 56.76 3huj s SER 196 Cb 0.00 -1.16 0.06 0.00 0.21 0.00 0.00 66.02 65.14 3huj s SER 196 CO 0.00 0.11 1.00 -0.63 0.41 0.00 0.00 173.24 174.13 3huj s ILE 197 N -1.61 4.26 -0.01 1.44 1.01 -1.25 -4.97 121.20 120.06 3huj s ILE 197 Ca 0.28 -0.19 -0.01 0.00 0.00 0.00 0.00 60.65 60.72 3huj s ILE 197 Cb -0.10 -4.69 -0.04 0.00 0.01 0.00 0.00 42.46 37.64 3huj s ILE 197 CO 0.20 -1.46 0.09 0.27 0.00 0.00 0.00 174.94 174.03 3huj s ILE 198 N 4.24 4.80 0.76 2.92 -4.36 -1.26 -4.28 121.20 124.02 3huj s ILE 198 Ca 0.25 -0.35 -0.15 0.00 -0.26 0.00 0.00 60.65 60.14 3huj s ILE 198 Cb -0.15 -3.18 0.04 0.00 1.25 0.00 0.00 42.46 40.42 3huj s ILE 198 CO 0.12 0.38 1.16 -2.65 0.24 0.00 0.00 174.94 174.18 3huj n PRO 199 N 1.26 0.45 -0.05 0.37 -0.02 -1.26 -4.94 135.00 130.81 3huj n PRO 199 Ca -0.14 0.22 -0.09 0.00 -2.02 0.00 0.00 63.50 61.48 3huj n PRO 199 Cb 0.53 -2.40 -0.02 0.00 -0.02 0.00 0.00 33.50 31.58 3huj n PRO 199 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3huj h GLU 200 N -0.46 0.17 -1.06 -0.52 5.08 -2.01 -2.99 114.58 112.79 3huj h GLU 200 Ca -0.47 -0.01 -0.31 0.00 -1.00 0.00 0.00 59.36 57.56 3huj h GLU 200 Cb 1.32 -0.04 -0.18 0.00 0.50 0.00 0.00 28.75 30.35 3huj h GLU 200 CO 0.47 0.11 0.40 -0.40 -1.00 0.00 0.00 179.01 178.60 3huj n ASP 201 N -5.04 3.89 -4.70 1.42 5.75 -1.26 -4.94 116.55 111.67 3huj n ASP 201 Ca -0.02 -2.97 -0.42 0.00 -0.01 0.00 0.00 54.79 51.36 3huj n ASP 201 Cb 0.08 -0.75 -0.03 0.00 -1.03 0.00 0.00 41.12 39.39 3huj n ASP 201 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3huj s THR 202 N -2.04 2.79 -0.01 2.12 2.01 -1.13 -4.82 115.64 114.56 3huj s THR 202 Ca 0.34 0.34 -0.23 0.00 0.31 0.00 0.00 61.69 62.45 3huj s THR 202 Cb 0.28 -3.22 -0.05 0.00 0.01 0.00 0.00 72.50 69.52 3huj s THR 202 CO 0.05 0.01 0.71 0.12 -0.69 0.00 0.00 174.62 174.82 3huj s PHE 203 N 2.34 3.66 -0.11 4.92 5.36 0.04 -4.96 117.98 129.23 3huj s PHE 203 Ca 0.75 1.33 -0.01 0.00 -0.96 0.00 0.00 56.93 58.05 3huj s PHE 203 Cb -0.43 -2.77 0.03 0.00 -0.34 0.00 0.00 43.02 39.51 3huj s PHE 203 CO 0.33 0.21 -0.06 -0.06 -1.46 0.00 0.00 175.22 174.18 3huj s PHE 204 N 0.27 1.34 0.09 10.12 0.40 -1.26 -1.83 117.98 127.11 3huj s PHE 204 Ca 0.37 -0.65 -0.16 0.00 -0.60 0.00 0.00 56.93 55.89 3huj s PHE 204 Cb -0.19 -1.15 -0.07 0.00 0.51 0.00 0.00 43.02 42.12 3huj s PHE 204 CO 0.20 -0.48 0.54 -1.25 0.70 0.00 0.00 175.22 174.92 3huj s PRO 205 N 1.76 4.06 0.00 0.24 0.05 -1.26 -5.09 135.00 134.76 3huj s PRO 205 Ca 0.05 0.58 0.30 0.00 0.05 0.00 0.00 61.00 61.98 3huj s PRO 205 Cb -0.13 -3.10 1.53 0.00 0.05 0.00 0.00 34.50 32.85 3huj s PRO 205 CO -0.08 0.58 2.02 -1.13 0.05 0.00 0.00 177.00 178.44