#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3huj s LEU 7 N 0.00 2.33 -0.40 6.15 1.43 -1.26 -5.05 118.68 121.88 3huj s LEU 7 Ca 0.00 -0.68 0.03 0.00 -1.03 0.00 0.00 54.13 52.45 3huj s LEU 7 Cb 0.00 0.04 0.16 0.00 0.03 0.00 0.00 46.19 46.42 3huj s LEU 7 CO 0.00 -0.36 0.30 -0.36 0.23 0.00 0.00 176.35 176.16 3huj s PHE 8 N -2.24 1.06 0.41 0.29 0.40 -1.26 -4.91 117.98 111.72 3huj s PHE 8 Ca -0.06 -2.15 -0.26 0.00 -0.60 0.00 0.00 56.93 53.86 3huj s PHE 8 Cb -0.04 -0.98 -0.09 0.00 0.51 0.00 0.00 43.02 42.42 3huj s PHE 8 CO -0.03 -0.82 1.33 -2.14 0.70 0.00 0.00 175.22 174.26 3huj s PRO 9 N 0.32 3.95 -0.23 0.24 0.02 -1.26 -4.41 135.00 133.63 3huj s PRO 9 Ca 0.28 2.23 -0.18 0.00 0.02 0.00 0.00 61.00 63.34 3huj s PRO 9 Cb -0.05 -2.77 -0.03 0.00 0.02 0.00 0.00 34.50 31.67 3huj s PRO 9 CO -0.13 -0.53 0.52 -1.17 -0.33 0.00 0.00 177.00 175.36 3huj s LEU 10 N -2.42 4.10 -0.27 -5.54 2.96 -0.38 -0.36 118.68 116.77 3huj s LEU 10 Ca 0.57 0.61 0.01 0.00 -0.22 0.00 0.00 54.13 55.10 3huj s LEU 10 Cb -0.40 -2.70 0.05 0.00 0.50 0.00 0.00 46.19 43.65 3huj s LEU 10 CO 0.51 -0.24 -0.08 -0.13 -1.32 0.00 0.00 176.35 175.10 3huj s ARG 11 N 1.98 2.35 -0.26 1.98 0.52 0.71 -2.82 118.95 123.42 3huj s ARG 11 Ca 0.23 -1.29 -0.16 0.00 -0.52 0.00 0.00 55.73 54.00 3huj s ARG 11 Cb -0.15 -2.98 -0.04 0.00 0.52 0.00 0.00 34.95 32.30 3huj s ARG 11 CO 0.09 -0.57 0.40 0.00 0.02 0.00 0.00 175.30 175.25 3huj s LEU 13 N 2.00 2.10 -0.05 0.00 1.02 0.11 -1.30 118.68 122.56 3huj s LEU 13 Ca 0.17 -0.51 0.02 0.00 0.02 0.00 0.00 54.13 53.83 3huj s LEU 13 Cb -0.16 -1.39 0.01 0.00 0.02 0.00 0.00 46.19 44.68 3huj s LEU 13 CO 0.09 0.24 -0.10 -1.58 0.02 0.00 0.00 176.35 175.02 3huj s GLN 14 N -0.12 1.39 -0.17 1.70 0.74 -0.49 -1.18 119.66 121.53 3huj s GLN 14 Ca -0.05 -0.32 0.00 0.00 0.05 0.00 0.00 55.36 55.04 3huj s GLN 14 Cb -0.14 -1.20 0.01 0.00 1.10 0.00 0.00 33.01 32.78 3huj s GLN 14 CO 0.04 0.01 -0.16 0.42 -0.55 0.00 0.00 175.29 175.05 3huj s ILE 15 N 0.66 2.47 -0.08 -2.34 1.09 0.12 -1.59 121.20 121.53 3huj s ILE 15 Ca -0.12 -0.82 0.02 0.00 -1.10 0.00 0.00 60.65 58.63 3huj s ILE 15 Cb -0.15 -2.05 0.01 0.00 -1.06 0.00 0.00 42.46 39.22 3huj s ILE 15 CO 0.02 0.51 -0.12 -0.44 -0.10 0.00 0.00 174.94 174.81 3huj s SER 16 N 1.11 1.93 -0.11 3.58 0.01 0.07 -1.04 113.70 119.26 3huj s SER 16 Ca 0.00 -0.32 0.03 0.00 1.31 0.00 0.00 55.95 56.97 3huj s SER 16 Cb -0.14 -0.88 0.01 0.00 0.21 0.00 0.00 66.02 65.22 3huj s SER 16 CO -0.06 0.02 -0.20 -0.44 0.41 0.00 0.00 173.24 172.97 3huj s SER 17 N 0.79 2.81 -0.28 2.44 0.01 -0.42 -1.25 113.70 117.80 3huj s SER 17 Ca -0.12 -0.51 0.03 0.00 1.31 0.00 0.00 55.95 56.65 3huj s SER 17 Cb -0.15 -1.28 0.07 0.00 0.21 0.00 0.00 66.02 64.86 3huj s SER 17 CO 0.02 0.10 -0.04 -0.36 0.41 0.00 0.00 173.24 173.37 3huj s PHE 18 N 0.60 3.14 -0.09 2.43 0.40 -0.17 -1.92 117.98 122.37 3huj s PHE 18 Ca -0.14 -2.37 -0.24 0.00 -0.60 0.00 0.00 56.93 53.59 3huj s PHE 18 Cb -0.17 -2.13 -0.29 0.00 0.51 0.00 0.00 43.02 40.95 3huj s PHE 18 CO 0.04 -0.88 0.82 0.00 0.70 0.00 0.00 175.22 175.90 3huj h ALA 19 N 7.78 -0.04 -3.99 5.36 0.00 -1.53 0.73 119.26 127.57 3huj h ALA 19 Ca -0.14 -0.66 -0.28 0.00 0.00 0.00 0.00 54.91 53.83 3huj h ALA 19 Cb 1.04 0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.86 3huj h ALA 19 CO 0.47 0.28 -0.19 0.27 0.00 0.00 0.00 179.25 180.08 3huj n ASN 20 N -4.29 -0.98 0.00 0.00 0.23 -1.23 -3.89 115.26 105.09 3huj n ASN 20 Ca -0.14 -2.63 0.01 0.00 -0.53 0.00 0.00 54.58 51.29 3huj n ASN 20 Cb 0.71 1.91 0.04 0.00 -2.08 0.00 0.00 39.78 40.36 3huj n ASN 20 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 3huj n SER 21 N -1.77 0.00 0.00 0.53 2.88 -1.26 -2.77 113.62 111.23 3huj n SER 21 Ca 0.02 0.47 0.00 0.00 -1.33 0.00 0.00 58.87 58.03 3huj n SER 21 Cb 0.49 -0.47 0.00 0.00 -0.75 0.00 0.00 64.21 63.47 3huj n SER 21 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3huj n SER 22 N -1.47 0.98 -3.96 -3.46 7.64 -1.26 -4.99 113.62 107.10 3huj n SER 22 Ca 0.01 -0.39 -0.29 0.00 1.01 0.00 0.00 58.87 59.20 3huj n SER 22 Cb 0.02 0.98 -0.17 0.00 -1.01 0.00 0.00 64.21 64.04 3huj n SER 22 CO 0.00 0.00 0.00 0.86 -3.01 0.00 0.00 175.04 172.89 3huj s TRP 23 N -1.18 1.93 0.18 1.43 -0.00 -1.11 -5.09 118.94 115.09 3huj s TRP 23 Ca 0.00 -1.12 -0.10 0.00 -0.00 0.00 0.00 56.10 54.88 3huj s TRP 23 Cb 0.00 -1.45 -0.01 0.00 -0.00 0.00 0.00 33.47 32.01 3huj s TRP 23 CO 0.00 -0.63 0.32 0.95 -0.00 0.00 0.00 176.95 177.59 3huj s THR 24 N 1.56 0.05 -0.06 5.86 -4.23 -1.26 -1.46 115.64 116.11 3huj s THR 24 Ca 0.03 -1.35 -0.14 0.00 -1.18 0.00 0.00 61.69 59.05 3huj s THR 24 Cb -0.14 -1.87 0.03 0.00 1.34 0.00 0.00 72.50 71.86 3huj s THR 24 CO -0.09 -0.24 0.34 0.00 -0.54 0.00 0.00 174.62 174.08 3huj s ARG 25 N -3.97 0.58 -0.09 3.99 1.70 -0.81 -4.99 118.95 115.36 3huj s ARG 25 Ca 0.17 0.07 -0.01 0.00 -0.47 0.00 0.00 55.73 55.50 3huj s ARG 25 Cb 0.03 0.27 0.03 0.00 -0.57 0.00 0.00 34.95 34.70 3huj s ARG 25 CO 0.01 -0.14 -0.04 0.99 -1.08 0.00 0.00 175.30 175.04 3huj s THR 26 N -0.77 0.75 0.20 4.99 2.01 -1.26 -1.30 115.64 120.27 3huj s THR 26 Ca -0.09 -0.12 0.09 0.00 0.31 0.00 0.00 61.69 61.89 3huj s THR 26 Cb -0.04 -0.83 -0.04 0.00 0.01 0.00 0.00 72.50 71.60 3huj s THR 26 CO 0.03 0.32 -0.18 -1.81 -0.69 0.00 0.00 174.62 172.29 3huj s ASP 27 N 1.78 2.93 0.25 3.53 1.11 -0.21 -2.51 116.67 123.55 3huj s ASP 27 Ca 0.04 -0.94 -0.13 0.00 0.18 0.00 0.00 52.55 51.70 3huj s ASP 27 Cb -0.13 -0.19 -0.00 0.00 1.07 0.00 0.00 42.92 43.67 3huj s ASP 27 CO -0.07 -0.04 0.49 -0.83 1.18 0.00 0.00 175.17 175.91 3huj s GLY 28 N -3.02 0.53 0.19 0.21 0.00 0.93 -0.70 107.32 105.46 3huj s GLY 28 Ca 0.21 -0.87 -0.22 0.00 0.00 0.00 0.00 44.72 43.85 3huj s GLY 28 CO 0.09 -0.61 0.61 0.48 0.00 0.00 0.00 173.10 173.67 3huj s LEU 29 N -3.02 -0.37 -0.04 0.66 2.34 -0.32 -0.69 118.68 117.24 3huj s LEU 29 Ca 0.22 -0.21 0.03 0.00 0.06 0.00 0.00 54.13 54.23 3huj s LEU 29 Cb -0.01 2.54 0.00 0.00 -0.56 0.00 0.00 46.19 48.16 3huj s LEU 29 CO 0.09 -1.06 -0.11 0.00 -1.06 0.00 0.00 176.35 174.21 3huj s ALA 30 N -3.81 1.06 -0.14 1.48 0.00 -1.06 0.09 121.76 119.38 3huj s ALA 30 Ca 0.04 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.60 3huj s ALA 30 Cb -0.02 -0.41 -0.01 0.00 0.00 0.00 0.00 23.12 22.69 3huj s ALA 30 CO -0.07 0.16 -0.15 -1.58 0.00 0.00 0.00 175.76 174.12 3huj s TRP 31 N 0.28 2.78 -0.51 0.00 0.52 -0.13 0.42 118.94 122.29 3huj s TRP 31 Ca -0.06 -0.84 -0.15 0.00 0.02 0.00 0.00 56.10 55.08 3huj s TRP 31 Cb -0.11 -1.86 0.12 0.00 -1.15 0.00 0.00 33.47 30.47 3huj s TRP 31 CO 0.01 -0.34 0.45 -1.17 0.02 0.00 0.00 176.95 175.92 3huj s LEU 32 N 0.56 5.99 0.00 2.99 2.96 0.23 -0.20 118.68 131.21 3huj s LEU 32 Ca -0.09 -1.72 0.00 0.00 -0.22 0.00 0.00 54.13 52.09 3huj s LEU 32 Cb -0.16 -2.17 0.00 0.00 0.50 0.00 0.00 46.19 44.36 3huj s LEU 32 CO 0.04 -0.79 0.00 0.61 -1.32 0.00 0.00 176.35 174.89 3huj n GLY 33 N 5.18 2.92 0.09 7.98 0.00 0.52 -2.70 105.19 119.18 3huj n GLY 33 Ca -0.13 0.15 0.02 0.00 0.00 0.00 0.00 46.02 46.06 3huj n GLY 33 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3huj n GLU 34 N 7.95 0.63 -2.70 1.61 0.28 -1.26 -4.93 120.64 122.22 3huj n GLU 34 Ca 0.00 0.12 -0.41 0.00 -0.16 0.00 0.00 57.16 56.71 3huj n GLU 34 Cb 0.00 -1.73 -0.05 0.00 1.43 0.00 0.00 31.44 31.09 3huj n GLU 34 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3huj s LEU 35 N -5.52 4.52 -0.30 -1.84 1.02 -1.10 -5.02 118.68 110.44 3huj s LEU 35 Ca -0.04 1.85 -0.25 0.00 0.02 0.00 0.00 54.13 55.71 3huj s LEU 35 Cb 0.09 -3.59 0.00 0.00 0.02 0.00 0.00 46.19 42.71 3huj s LEU 35 CO 0.82 -0.06 0.87 -1.58 0.02 0.00 0.00 176.35 176.43 3huj s GLN 36 N -0.20 4.03 -0.06 1.70 0.74 -1.26 -0.60 119.66 124.02 3huj s GLN 36 Ca 0.47 0.78 0.20 0.00 0.05 0.00 0.00 55.36 56.85 3huj s GLN 36 Cb -0.24 -3.72 -0.25 0.00 1.10 0.00 0.00 33.01 29.90 3huj s GLN 36 CO 0.31 -0.71 0.44 0.25 -0.55 0.00 0.00 175.29 175.03 3huj n THR 37 N 5.57 0.75 -4.03 -0.34 -2.24 0.17 -4.75 114.28 109.40 3huj n THR 37 Ca 0.06 -0.66 -0.08 0.00 -2.27 0.00 0.00 64.05 61.10 3huj n THR 37 Cb 0.48 -0.33 -0.09 0.00 -2.10 0.00 0.00 70.33 68.28 3huj n THR 37 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3huj s HIS 38 N -3.04 0.42 0.03 4.78 3.76 -1.12 -1.37 115.29 118.75 3huj s HIS 38 Ca -0.07 -0.92 0.00 0.00 -0.15 0.00 0.00 55.06 53.92 3huj s HIS 38 Cb 0.10 -0.30 -0.02 0.00 1.11 0.00 0.00 32.58 33.46 3huj s HIS 38 CO 0.86 -0.40 -0.03 0.45 -0.85 0.00 0.00 174.74 174.76 3huj s SER 39 N -2.79 0.32 -0.29 1.40 0.15 -0.60 -2.56 113.70 109.34 3huj s SER 39 Ca 0.05 -0.57 0.02 0.00 0.70 0.00 0.00 55.95 56.15 3huj s SER 39 Cb 0.06 0.11 0.17 0.00 -1.71 0.00 0.00 66.02 64.65 3huj s SER 39 CO -0.09 -0.33 0.45 0.86 1.20 0.00 0.00 173.24 175.33 3huj s TRP 40 N -1.79 -1.20 0.15 3.44 -0.00 0.13 0.80 118.94 120.48 3huj s TRP 40 Ca -0.12 0.60 -0.02 0.00 -0.00 0.00 0.00 56.10 56.56 3huj s TRP 40 Cb -0.08 -0.00 -0.05 0.00 -0.00 0.00 0.00 33.47 33.35 3huj s TRP 40 CO -0.02 -0.98 0.35 -1.54 -0.00 0.00 0.00 176.95 174.77 3huj s SER 41 N 2.62 6.42 0.46 5.86 1.04 -1.26 -0.05 113.70 128.79 3huj s SER 41 Ca 0.11 0.45 0.22 0.00 0.48 0.00 0.00 55.95 57.21 3huj s SER 41 Cb -0.12 -2.03 1.22 0.00 0.10 0.00 0.00 66.02 65.19 3huj s SER 41 CO -0.27 0.03 1.86 -1.13 0.98 0.00 0.00 173.24 174.71 3huj h ASN 42 N 2.49 0.27 -0.32 7.02 -1.24 -1.88 -1.63 115.58 120.28 3huj h ASN 42 Ca -0.47 0.03 0.00 0.00 0.71 0.00 0.00 56.30 56.57 3huj h ASN 42 Cb 1.18 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 40.21 3huj h ASN 42 CO 0.71 0.10 0.00 0.47 -1.29 0.00 0.00 177.43 177.42 3huj n ASP 43 N -4.44 2.75 -4.86 1.15 8.00 -1.26 -4.91 116.55 112.99 3huj n ASP 43 Ca 0.19 -1.90 -0.33 0.00 0.71 0.00 0.00 54.79 53.47 3huj n ASP 43 Cb 0.80 -0.21 -0.05 0.00 -0.02 0.00 0.00 41.12 41.64 3huj n ASP 43 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 3huj s SER 44 N -1.47 6.11 0.07 -2.24 0.15 -0.62 -5.02 113.70 110.68 3huj s SER 44 Ca 0.36 0.25 -0.15 0.00 0.70 0.00 0.00 55.95 57.11 3huj s SER 44 Cb 0.20 -1.85 -0.20 0.00 -1.71 0.00 0.00 66.02 62.47 3huj s SER 44 CO 0.29 0.25 1.22 -0.78 1.20 0.00 0.00 173.24 175.42 3huj h ASP 45 N 3.78 0.81 -2.00 5.45 -0.00 -1.91 -3.46 116.42 119.09 3huj h ASP 45 Ca -0.48 -0.68 -0.59 0.00 -0.00 0.00 0.00 57.03 55.27 3huj h ASP 45 Cb 1.18 -0.24 -0.11 0.00 -0.00 0.00 0.00 39.33 40.15 3huj h ASP 45 CO 0.68 1.37 -0.65 0.42 -0.00 0.00 0.00 179.24 181.06 3huj s THR 46 N -3.53 2.67 0.41 2.25 -4.23 -1.26 -4.89 115.64 107.06 3huj s THR 46 Ca -0.11 -2.05 -0.26 0.00 -1.18 0.00 0.00 61.69 58.09 3huj s THR 46 Cb 0.07 -2.71 -0.08 0.00 1.34 0.00 0.00 72.50 71.11 3huj s THR 46 CO 0.88 -0.25 1.25 -0.69 -0.54 0.00 0.00 174.62 175.27 3huj s VAL 47 N -2.50 2.82 -0.13 2.29 1.01 -1.26 -4.70 120.40 117.93 3huj s VAL 47 Ca 0.33 0.71 -0.08 0.00 0.00 0.00 0.00 61.98 62.95 3huj s VAL 47 Cb -0.01 -3.41 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 3huj s VAL 47 CO 0.18 0.09 0.15 -0.13 0.00 0.00 0.00 175.10 175.39 3huj s ARG 48 N -2.27 3.59 -0.39 2.72 0.52 0.24 -4.96 118.95 118.40 3huj s ARG 48 Ca 0.57 -0.13 -0.21 0.00 -0.52 0.00 0.00 55.73 55.45 3huj s ARG 48 Cb -0.35 -3.23 0.01 0.00 0.52 0.00 0.00 34.95 31.90 3huj s ARG 48 CO 0.45 0.69 0.64 -1.12 0.02 0.00 0.00 175.30 175.98 3huj s SER 49 N -0.77 6.39 0.20 0.23 0.01 -1.26 -1.55 113.70 116.94 3huj s SER 49 Ca 0.14 -0.04 0.23 0.00 1.31 0.00 0.00 55.95 57.59 3huj s SER 49 Cb -0.12 -2.33 0.19 0.00 0.21 0.00 0.00 66.02 63.97 3huj s SER 49 CO 0.03 -0.67 1.23 -0.07 0.41 0.00 0.00 173.24 174.17 3huj h LEU 50 N 9.52 0.00 -8.97 2.44 3.38 -1.54 -3.46 115.31 116.67 3huj h LEU 50 Ca -0.26 -0.08 -0.62 0.00 0.09 0.00 0.00 57.88 57.00 3huj h LEU 50 Cb 1.10 0.00 -0.19 0.00 0.09 0.00 0.00 40.66 41.67 3huj h LEU 50 CO 0.86 0.04 -0.81 -0.54 0.09 0.00 0.00 178.44 178.08 3huj s LYS 51 N -3.27 1.44 0.62 1.13 -0.14 -1.25 -5.02 119.74 113.26 3huj s LYS 51 Ca 0.03 -1.48 0.37 0.00 -1.36 0.00 0.00 55.97 53.53 3huj s LYS 51 Cb 0.11 -1.70 2.09 0.00 -1.68 0.00 0.00 37.83 36.64 3huj s LYS 51 CO 0.75 0.37 2.30 -1.00 -0.76 0.00 0.00 175.35 177.00 3huj h PRO 52 N 3.25 0.00 -0.46 -1.68 0.13 -1.97 -2.03 132.00 129.25 3huj h PRO 52 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3huj h PRO 52 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 3huj h PRO 52 CO 0.48 0.00 0.00 -2.67 -0.23 0.00 0.00 178.00 175.59 3huj n TRP 53 N -3.48 1.47 0.27 1.56 4.27 -1.26 -4.66 117.44 115.61 3huj n TRP 53 Ca -0.03 -0.75 0.16 0.00 -3.89 0.00 0.00 57.50 52.99 3huj n TRP 53 Cb 0.09 -0.37 0.78 0.00 -1.36 0.00 0.00 31.31 30.45 3huj n TRP 53 CO 0.00 0.00 0.00 0.77 -2.29 0.00 0.00 177.69 176.17 3huj h SER 54 N 3.07 0.00 0.48 -0.67 0.02 -1.68 -2.87 113.55 111.90 3huj h SER 54 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3huj h SER 54 Cb 1.62 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.16 3huj h SER 54 CO 0.32 0.00 -1.11 1.67 -1.14 0.00 0.00 176.83 176.57 3huj n GLN 55 N -2.62 0.37 0.00 3.45 7.27 -1.26 -5.00 117.38 119.59 3huj n GLN 55 Ca -0.01 -0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.06 3huj n GLN 55 Cb 0.12 -1.62 0.00 0.00 2.41 0.00 0.00 30.24 31.15 3huj n GLN 55 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3huj n GLY 56 N 1.33 1.66 0.41 1.69 0.00 -1.09 -2.73 105.19 106.46 3huj n GLY 56 Ca 0.01 -0.61 0.13 0.00 0.00 0.00 0.00 46.02 45.55 3huj n GLY 56 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3huj n THR 57 N 0.00 0.00 -1.95 2.61 -1.04 -1.26 -4.89 114.28 107.75 3huj n THR 57 Ca 0.00 -0.21 -0.41 0.00 -2.04 0.00 0.00 64.05 61.38 3huj n THR 57 Cb 0.00 0.67 -0.02 0.00 -1.82 0.00 0.00 70.33 69.16 3huj n THR 57 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 3huj s PHE 58 N -2.34 2.96 0.80 -1.42 0.40 -1.10 -5.01 117.98 112.26 3huj s PHE 58 Ca 0.27 0.93 -0.11 0.00 -0.60 0.00 0.00 56.93 57.42 3huj s PHE 58 Cb 0.19 -3.89 0.07 0.00 0.51 0.00 0.00 43.02 39.91 3huj s PHE 58 CO 0.47 -2.96 1.09 -1.54 0.70 0.00 0.00 175.22 172.98 3huj s SER 59 N 0.47 4.40 0.23 1.36 1.04 -1.26 -4.80 113.70 115.13 3huj s SER 59 Ca 0.61 1.59 -0.06 0.00 0.48 0.00 0.00 55.95 58.57 3huj s SER 59 Cb -0.43 -2.32 0.39 0.00 0.10 0.00 0.00 66.02 63.75 3huj s SER 59 CO 0.43 -2.07 1.74 0.44 0.98 0.00 0.00 173.24 174.76 3huj h ASP 60 N -1.15 0.27 -0.40 7.02 3.45 -1.98 0.89 116.42 124.52 3huj h ASP 60 Ca -0.46 0.10 -0.12 0.00 0.43 0.00 0.00 57.03 56.97 3huj h ASP 60 Cb 1.25 0.07 -0.01 0.00 -0.56 0.00 0.00 39.33 40.08 3huj h ASP 60 CO 0.55 0.13 -0.21 0.06 -1.57 0.00 0.00 179.24 178.19 3huj h GLN 61 N 0.44 0.90 -0.34 3.56 3.07 -1.98 0.48 115.11 121.24 3huj h GLN 61 Ca 0.37 -0.37 -0.12 0.00 0.09 0.00 0.00 58.65 58.62 3huj h GLN 61 Cb 0.52 -0.04 -0.01 0.00 0.08 0.00 0.00 27.48 28.03 3huj h GLN 61 CO -0.36 1.02 -0.27 1.96 0.09 0.00 0.00 178.83 181.27 3huj h GLN 62 N 0.78 0.71 -0.36 0.06 4.20 -1.81 -0.45 115.11 118.24 3huj h GLN 62 Ca 0.11 -0.30 -0.09 0.00 0.06 0.00 0.00 58.65 58.43 3huj h GLN 62 Cb 0.76 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.51 3huj h GLN 62 CO 0.06 0.90 -0.12 2.35 -0.67 0.00 0.00 178.83 181.36 3huj h TRP 63 N 0.61 0.80 -0.30 2.96 -0.00 -0.69 -2.92 115.95 116.42 3huj h TRP 63 Ca 0.08 -0.18 -0.03 0.00 -0.00 0.00 0.00 58.89 58.75 3huj h TRP 63 Cb 0.77 -0.19 -0.02 0.00 -0.00 0.00 0.00 29.16 29.72 3huj h TRP 63 CO 0.04 0.88 0.05 1.49 -0.00 0.00 0.00 178.44 180.89 3huj h GLU 64 N 0.50 0.44 0.33 2.65 4.57 -0.71 -0.35 114.58 122.01 3huj h GLU 64 Ca 0.09 -0.07 -0.01 0.00 -1.18 0.00 0.00 59.36 58.19 3huj h GLU 64 Cb 0.63 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.14 3huj h GLU 64 CO 0.04 0.43 -0.23 1.15 -1.18 0.00 0.00 179.01 179.23 3huj h THR 65 N 0.43 0.52 -0.89 0.32 2.02 -0.94 -0.65 112.91 113.73 3huj h THR 65 Ca 0.10 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.38 3huj h THR 65 Cb 0.22 0.52 -0.06 0.00 -1.74 0.00 0.00 68.15 67.09 3huj h THR 65 CO 0.00 0.00 0.57 -0.07 0.37 0.00 0.00 175.52 176.39 3huj h LEU 66 N -0.55 0.79 -0.29 2.58 4.07 -1.30 -1.51 115.31 119.10 3huj h LEU 66 Ca -0.03 0.02 0.02 0.00 0.08 0.00 0.00 57.88 57.97 3huj h LEU 66 Cb 0.46 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 42.04 3huj h LEU 66 CO 0.01 0.46 0.15 -0.61 -1.08 0.00 0.00 178.44 177.38 3huj h GLN 67 N 0.87 0.31 -0.37 1.13 5.75 -0.43 0.12 115.11 122.48 3huj h GLN 67 Ca 0.41 -0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.85 3huj h GLN 67 Cb 0.43 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 28.90 3huj h GLN 67 CO -0.18 0.20 0.07 1.25 -2.65 0.00 0.00 178.83 177.52 3huj h HIS 68 N 0.32 0.64 0.06 3.99 2.76 -0.70 -0.80 115.15 121.42 3huj h HIS 68 Ca 0.12 -0.09 0.03 0.00 -2.20 0.00 0.00 60.37 58.23 3huj h HIS 68 Cb 0.02 -0.18 -0.05 0.00 1.55 0.00 0.00 27.41 28.76 3huj h HIS 68 CO -0.09 0.64 -0.36 0.82 -1.30 0.00 0.00 177.93 177.65 3huj h ILE 69 N 0.45 0.25 -0.86 6.26 2.04 -0.99 -0.75 117.51 123.90 3huj h ILE 69 Ca 0.11 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.08 3huj h ILE 69 Cb 0.35 0.25 -0.06 0.00 -0.74 0.00 0.00 36.82 36.61 3huj h ILE 69 CO 0.01 0.00 0.56 -0.26 0.00 0.00 0.00 178.15 178.45 3huj h PHE 70 N -0.56 0.87 -0.09 1.37 0.05 -0.70 0.17 116.94 118.05 3huj h PHE 70 Ca 0.04 0.02 -0.00 0.00 3.82 0.00 0.00 57.97 61.85 3huj h PHE 70 Cb 0.61 -0.28 -0.00 0.00 2.00 0.00 0.00 35.95 38.28 3huj h PHE 70 CO -0.34 0.38 0.05 -0.09 -0.18 0.00 0.00 178.31 178.13 3huj h ARG 71 N 0.79 0.13 -0.34 1.51 2.43 -0.56 -1.81 114.38 116.53 3huj h ARG 71 Ca 0.41 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.42 3huj h ARG 71 Cb 0.50 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 3huj h ARG 71 CO -0.17 0.18 -0.37 0.28 -1.51 0.00 0.00 179.97 178.38 3huj h VAL 72 N 0.05 1.28 -0.46 0.20 2.07 -0.60 -3.16 116.25 115.63 3huj h VAL 72 Ca 0.03 -1.53 0.03 0.00 0.82 0.00 0.00 66.70 66.05 3huj h VAL 72 Cb 0.09 1.41 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 3huj h VAL 72 CO -0.00 0.50 0.25 0.22 0.02 0.00 0.00 177.57 178.55 3huj h TYR 73 N 0.65 0.46 0.13 1.57 3.20 -0.57 -1.88 116.97 120.52 3huj h TYR 73 Ca 0.06 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 3huj h TYR 73 Cb 0.92 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 39.05 3huj h TYR 73 CO 0.05 0.24 -0.06 -0.09 -1.64 0.00 0.00 178.16 176.66 3huj h ARG 74 N 0.49 -0.16 -0.33 1.82 2.43 -1.30 0.15 114.38 117.48 3huj h ARG 74 Ca 0.19 0.01 -0.10 0.00 -0.81 0.00 0.00 59.98 59.28 3huj h ARG 74 Cb 0.07 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 3huj h ARG 74 CO -0.12 -0.07 -0.20 0.66 -1.51 0.00 0.00 179.97 178.74 3huj h SER 75 N -0.22 0.62 -0.08 -3.80 4.64 -1.56 -2.30 113.55 110.86 3huj h SER 75 Ca -0.02 -0.20 -0.15 0.00 -0.47 0.00 0.00 61.79 60.95 3huj h SER 75 Cb 0.17 -0.17 0.01 0.00 -0.31 0.00 0.00 62.40 62.10 3huj h SER 75 CO 0.03 0.82 -0.54 0.28 -0.87 0.00 0.00 176.83 176.55 3huj h SER 76 N 0.55 0.62 -0.28 4.97 0.02 -1.15 -2.69 113.55 115.60 3huj h SER 76 Ca 0.09 -0.67 0.07 0.00 -0.84 0.00 0.00 61.79 60.44 3huj h SER 76 Cb 0.65 -0.18 -0.07 0.00 0.14 0.00 0.00 62.40 62.93 3huj h SER 76 CO 0.05 1.19 -0.23 0.15 -1.14 0.00 0.00 176.83 176.85 3huj h PHE 77 N 0.09 -0.60 -0.36 3.45 3.04 -0.70 0.11 116.94 121.98 3huj h PHE 77 Ca -0.05 0.04 0.07 0.00 3.98 0.00 0.00 57.97 62.01 3huj h PHE 77 Cb 1.20 0.31 -0.06 0.00 2.56 0.00 0.00 35.95 39.96 3huj h PHE 77 CO 0.12 -0.31 -0.04 1.15 -2.02 0.00 0.00 178.31 177.21 3huj h THR 78 N -0.21 0.69 -0.48 4.41 2.02 -1.40 -0.32 112.91 117.63 3huj h THR 78 Ca 0.15 -0.02 -0.13 0.00 0.77 0.00 0.00 66.41 67.18 3huj h THR 78 Cb 0.45 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.48 3huj h THR 78 CO -0.41 0.01 -0.21 -0.09 0.37 0.00 0.00 175.52 175.19 3huj h ARG 79 N 0.05 0.98 -0.53 6.66 2.43 -1.21 -2.41 114.38 120.36 3huj h ARG 79 Ca 0.17 -0.42 -0.00 0.00 -0.81 0.00 0.00 59.98 58.92 3huj h ARG 79 Cb 0.25 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 3huj h ARG 79 CO -0.32 1.09 0.33 -0.44 -1.51 0.00 0.00 179.97 179.11 3huj h ASP 80 N 0.85 0.62 -0.54 -3.80 3.32 -0.04 -1.07 116.42 115.76 3huj h ASP 80 Ca 0.11 -0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.14 3huj h ASP 80 Cb 0.79 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.15 3huj h ASP 80 CO 0.07 0.49 0.33 0.58 -1.72 0.00 0.00 179.24 178.99 3huj h VAL 81 N 0.71 1.07 -0.57 -1.35 2.07 -1.05 0.18 116.25 117.31 3huj h VAL 81 Ca 0.19 -0.23 0.05 0.00 0.82 0.00 0.00 66.70 67.53 3huj h VAL 81 Cb -0.03 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 30.04 3huj h VAL 81 CO -0.04 0.12 0.29 0.11 0.02 0.00 0.00 177.57 178.08 3huj h LYS 82 N 0.67 0.54 -0.17 1.57 1.57 -1.00 -0.34 116.57 119.40 3huj h LYS 82 Ca 0.22 -0.03 -0.20 0.00 -1.87 0.00 0.00 60.65 58.77 3huj h LYS 82 Cb 0.00 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.19 3huj h LYS 82 CO -0.09 0.35 -0.68 1.49 -0.57 0.00 0.00 179.45 179.96 3huj h GLU 83 N 0.55 0.68 -0.78 3.15 4.57 -0.83 -2.66 114.58 119.27 3huj h GLU 83 Ca 0.25 -0.50 0.09 0.00 -1.18 0.00 0.00 59.36 58.02 3huj h GLU 83 Cb 0.17 0.09 -0.07 0.00 -0.16 0.00 0.00 28.75 28.78 3huj h GLU 83 CO -0.18 1.12 0.43 0.74 -1.18 0.00 0.00 179.01 179.95 3huj h PHE 84 N 0.49 0.79 -0.67 0.92 0.05 -0.42 -1.23 116.94 116.86 3huj h PHE 84 Ca -0.02 0.03 0.08 0.00 3.82 0.00 0.00 57.97 61.87 3huj h PHE 84 Cb 1.28 -0.24 -0.06 0.00 2.00 0.00 0.00 35.95 38.93 3huj h PHE 84 CO 0.07 0.33 0.34 0.00 -0.18 0.00 0.00 178.31 178.86 3huj h ALA 85 N 1.43 0.90 -0.41 2.45 0.00 -0.73 0.42 119.26 123.33 3huj h ALA 85 Ca 0.37 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.31 3huj h ALA 85 Cb 0.33 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3huj h ALA 85 CO -0.24 -0.03 0.20 0.87 0.00 0.00 0.00 179.25 180.05 3huj h LYS 86 N 0.61 0.58 -0.01 0.00 1.57 -1.15 -1.98 116.57 116.19 3huj h LYS 86 Ca 0.32 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 59.01 3huj h LYS 86 Cb 0.28 -0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 3huj h LYS 86 CO -0.23 0.51 0.00 1.98 -0.57 0.00 0.00 179.45 181.14 3huj h MET 87 N 0.52 0.02 -0.31 3.15 4.05 -0.35 -3.19 114.93 118.81 3huj h MET 87 Ca 0.14 -0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.55 3huj h MET 87 Cb 0.12 -0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.92 3huj h MET 87 CO -0.02 0.26 0.00 1.28 0.23 0.00 0.00 176.91 178.66 3huj n LEU 88 N -4.96 2.17 -3.97 3.39 4.77 0.14 -4.94 117.00 113.60 3huj n LEU 88 Ca -0.08 -1.00 -0.29 0.00 -0.03 0.00 0.00 56.01 54.62 3huj n LEU 88 Cb 0.14 -0.21 -0.00 0.00 -2.33 0.00 0.00 43.42 41.02 3huj n LEU 88 CO 0.33 0.50 -0.07 0.54 -1.33 0.00 0.00 177.39 177.36 3huj n ARG 89 N 0.66 -4.11 -3.37 3.23 1.74 -0.78 -4.95 116.66 109.08 3huj n ARG 89 Ca 0.16 0.48 -0.38 0.00 -0.77 0.00 0.00 57.85 57.34 3huj n ARG 89 Cb 0.38 -5.02 -0.06 0.00 -1.02 0.00 0.00 32.46 26.73 3huj n ARG 89 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3huj s LEU 90 N -7.07 4.43 0.15 0.55 1.43 -0.99 -5.07 118.68 112.10 3huj s LEU 90 Ca 0.35 1.01 -0.25 0.00 -1.03 0.00 0.00 54.13 54.21 3huj s LEU 90 Cb -0.18 -2.72 -0.08 0.00 0.03 0.00 0.00 46.19 43.24 3huj s LEU 90 CO 0.87 0.20 0.77 -0.44 0.23 0.00 0.00 176.35 177.99 3huj s SER 91 N -0.53 7.36 0.64 2.29 0.01 -1.26 -4.81 113.70 117.40 3huj s SER 91 Ca 0.26 1.61 -0.15 0.00 1.31 0.00 0.00 55.95 58.99 3huj s SER 91 Cb -0.17 -2.49 -0.01 0.00 0.21 0.00 0.00 66.02 63.55 3huj s SER 91 CO 0.14 0.18 1.09 -0.31 0.41 0.00 0.00 173.24 174.75 3huj s TYR 92 N -0.96 2.77 0.60 2.43 1.51 -1.26 -4.55 117.35 117.88 3huj s TYR 92 Ca 0.36 1.53 -0.15 0.00 -1.01 0.00 0.00 57.07 57.81 3huj s TYR 92 Cb -0.23 -3.10 -0.04 0.00 -0.11 0.00 0.00 41.96 38.49 3huj s TYR 92 CO 0.26 -1.47 1.04 -1.25 -1.11 0.00 0.00 175.55 173.01 3huj s PRO 93 N -4.16 3.38 -0.02 -1.71 0.04 -1.25 -5.02 135.00 126.25 3huj s PRO 93 Ca 0.65 1.09 0.07 0.00 0.04 0.00 0.00 61.00 62.85 3huj s PRO 93 Cb -0.19 -2.05 -0.02 0.00 0.04 0.00 0.00 34.50 32.29 3huj s PRO 93 CO 0.41 -0.75 -0.23 -0.51 0.04 0.00 0.00 177.00 175.96 3huj s LEU 94 N -4.64 2.04 -0.21 -3.56 1.43 0.26 -4.98 118.68 109.02 3huj s LEU 94 Ca 0.61 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 53.29 3huj s LEU 94 Cb -0.14 -1.22 0.04 0.00 0.03 0.00 0.00 46.19 44.91 3huj s LEU 94 CO 0.40 0.28 -0.11 -1.61 0.23 0.00 0.00 176.35 175.54 3huj s GLU 95 N -0.47 2.09 -0.07 1.70 0.41 -1.26 -1.00 118.70 120.10 3huj s GLU 95 Ca 0.07 -0.90 0.05 0.00 -0.41 0.00 0.00 54.97 53.77 3huj s GLU 95 Cb -0.10 -2.48 -0.00 0.00 -1.78 0.00 0.00 34.13 29.77 3huj s GLU 95 CO -0.00 -0.44 -0.22 -0.51 -0.49 0.00 0.00 175.26 173.61 3huj s LEU 96 N 1.36 2.00 0.07 1.80 1.43 -0.38 -0.36 118.68 124.60 3huj s LEU 96 Ca -0.02 -0.47 0.05 0.00 -1.03 0.00 0.00 54.13 52.66 3huj s LEU 96 Cb -0.17 -1.24 -0.03 0.00 0.03 0.00 0.00 46.19 44.78 3huj s LEU 96 CO -0.08 0.17 -0.14 -1.10 0.23 0.00 0.00 176.35 175.43 3huj s GLN 97 N 0.14 0.82 -0.05 1.70 -0.21 -0.76 -0.75 119.66 120.56 3huj s GLN 97 Ca -0.10 -0.96 0.03 0.00 0.02 0.00 0.00 55.36 54.35 3huj s GLN 97 Cb -0.15 -0.84 0.01 0.00 1.00 0.00 0.00 33.01 33.03 3huj s GLN 97 CO 0.05 0.19 -0.13 0.08 -2.12 0.00 0.00 175.29 173.36 3huj s VAL 98 N -1.27 1.15 -0.26 1.09 1.01 -0.62 -1.00 120.40 120.50 3huj s VAL 98 Ca -0.02 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.44 3huj s VAL 98 Cb -0.10 -1.02 0.05 0.00 0.00 0.00 0.00 36.38 35.31 3huj s VAL 98 CO 0.02 0.35 -0.07 -0.55 0.00 0.00 0.00 175.10 174.85 3huj s SER 99 N 0.35 4.46 0.12 3.32 0.15 -0.16 -1.39 113.70 120.55 3huj s SER 99 Ca -0.08 -1.17 0.04 0.00 0.70 0.00 0.00 55.95 55.44 3huj s SER 99 Cb -0.13 -1.63 -0.04 0.00 -1.71 0.00 0.00 66.02 62.52 3huj s SER 99 CO 0.02 -0.18 -0.11 0.00 1.20 0.00 0.00 173.24 174.17 3huj s ALA 100 N 1.22 1.32 0.00 5.45 0.00 -0.42 -0.73 121.76 128.60 3huj s ALA 100 Ca -0.04 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 50.58 3huj s ALA 100 Cb -0.19 0.02 0.00 0.00 0.00 0.00 0.00 23.12 22.95 3huj s ALA 100 CO -0.04 -0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.09 3huj n GLY 101 N 0.24 0.51 3.49 0.00 0.00 -0.73 0.09 105.19 108.80 3huj n GLY 101 Ca -0.14 -1.72 -0.14 0.00 0.00 0.00 0.00 46.02 44.02 3huj n GLY 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3huj s GLU 103 N -3.07 0.10 -0.23 0.00 -1.05 -0.33 -1.25 118.70 112.87 3huj s GLU 103 Ca 0.30 0.39 -0.27 0.00 -0.15 0.00 0.00 54.97 55.24 3huj s GLU 103 Cb -0.00 -0.18 0.00 0.00 -0.44 0.00 0.00 34.13 33.51 3huj s GLU 103 CO 0.20 -0.17 0.96 0.08 0.95 0.00 0.00 175.26 177.28 3huj s VAL 104 N 1.22 4.74 0.34 1.83 1.01 -1.26 -2.77 120.40 125.51 3huj s VAL 104 Ca -0.09 1.87 -0.02 0.00 0.00 0.00 0.00 61.98 63.74 3huj s VAL 104 Cb -0.12 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 3huj s VAL 104 CO -0.06 -0.14 0.57 -1.00 0.00 0.00 0.00 175.10 174.47 3huj s HIS 105 N 3.05 3.50 0.69 5.22 3.76 -0.09 -4.86 115.29 126.56 3huj s HIS 105 Ca 0.41 0.49 -0.17 0.00 -0.15 0.00 0.00 55.06 55.64 3huj s HIS 105 Cb -0.15 -2.00 -0.04 0.00 1.11 0.00 0.00 32.58 31.50 3huj s HIS 105 CO 0.07 0.10 0.62 -2.30 -0.85 0.00 0.00 174.74 172.37 3huj n PRO 106 N -1.56 0.40 0.00 8.40 -0.02 -1.26 -3.85 135.00 137.11 3huj n PRO 106 Ca -0.03 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 3huj n PRO 106 Cb 0.55 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 3huj n PRO 106 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3huj n GLY 107 N 1.57 1.96 2.00 -1.23 0.00 -1.26 -4.16 105.19 104.08 3huj n GLY 107 Ca 0.11 0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3huj n GLY 107 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3huj n ASN 108 N 5.30 -0.09 -4.66 1.61 2.85 -1.25 -5.14 115.26 113.88 3huj n ASN 108 Ca 0.00 0.07 -0.30 0.00 -0.11 0.00 0.00 54.58 54.24 3huj n ASN 108 Cb 0.00 0.17 0.17 0.00 1.24 0.00 0.00 39.78 41.36 3huj n ASN 108 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3huj s ALA 109 N -2.00 1.22 -0.21 5.20 0.00 -1.26 -4.75 121.76 119.95 3huj s ALA 109 Ca 0.00 0.36 -0.13 0.00 0.00 0.00 0.00 51.96 52.19 3huj s ALA 109 Cb 0.00 -3.37 0.06 0.00 0.00 0.00 0.00 23.12 19.82 3huj s ALA 109 CO 0.00 -2.80 0.53 -1.54 0.00 0.00 0.00 175.76 171.95 3huj s SER 110 N -2.81 -0.67 0.11 0.00 1.04 -1.26 -0.91 113.70 109.20 3huj s SER 110 Ca 0.66 1.13 -0.02 0.00 0.48 0.00 0.00 55.95 58.20 3huj s SER 110 Cb -0.22 1.04 -0.05 0.00 0.10 0.00 0.00 66.02 66.89 3huj s SER 110 CO 0.59 -0.21 0.29 0.54 0.98 0.00 0.00 173.24 175.44 3huj s ASN 111 N 1.26 6.41 0.23 7.02 4.22 -1.11 -4.94 114.94 128.02 3huj s ASN 111 Ca -0.08 0.41 0.01 0.00 -2.14 0.00 0.00 52.86 51.05 3huj s ASN 111 Cb -0.06 -2.01 -0.05 0.00 1.28 0.00 0.00 41.25 40.40 3huj s ASN 111 CO -0.12 0.10 0.10 0.54 -2.04 0.00 0.00 177.10 175.67 3huj s ASN 112 N -2.56 0.85 -0.09 3.54 2.20 -1.26 -1.18 114.94 116.44 3huj s ASN 112 Ca 0.38 -1.36 -0.25 0.00 -0.94 0.00 0.00 52.86 50.68 3huj s ASN 112 Cb -0.12 0.23 0.06 0.00 -2.00 0.00 0.00 41.25 39.41 3huj s ASN 112 CO 0.27 -0.75 0.59 0.72 -2.94 0.00 0.00 177.10 174.99 3huj s PHE 113 N -3.88 -0.56 -0.34 1.54 -0.71 -0.22 -4.98 117.98 108.84 3huj s PHE 113 Ca 0.37 1.08 0.02 0.00 -1.04 0.00 0.00 56.93 57.35 3huj s PHE 113 Cb 0.07 0.30 0.15 0.00 -1.21 0.00 0.00 43.02 42.33 3huj s PHE 113 CO 0.12 -0.50 0.34 0.12 -1.34 0.00 0.00 175.22 173.97 3huj s PHE 114 N -0.85 -0.37 -0.08 3.49 5.99 -1.25 -1.77 117.98 123.13 3huj s PHE 114 Ca -0.09 -0.54 -0.00 0.00 0.00 0.00 0.00 56.93 56.29 3huj s PHE 114 Cb -0.02 -0.43 -0.03 0.00 0.00 0.00 0.00 43.02 42.54 3huj s PHE 114 CO 0.07 -0.95 -0.05 -1.01 -0.00 0.00 0.00 175.22 173.28 3huj s HIS 115 N 1.83 3.01 0.03 10.12 3.76 0.10 -1.28 115.29 132.86 3huj s HIS 115 Ca 0.14 0.06 0.06 0.00 -0.15 0.00 0.00 55.06 55.17 3huj s HIS 115 Cb -0.15 -1.75 -0.02 0.00 1.11 0.00 0.00 32.58 31.77 3huj s HIS 115 CO -0.16 0.36 -0.18 0.14 -0.85 0.00 0.00 174.74 174.05 3huj s VAL 116 N -0.77 1.44 0.08 -0.90 -7.23 -0.73 -0.98 120.40 111.31 3huj s VAL 116 Ca 0.12 -1.03 0.08 0.00 -1.81 0.00 0.00 61.98 59.33 3huj s VAL 116 Cb -0.11 -1.25 -0.03 0.00 0.56 0.00 0.00 36.38 35.54 3huj s VAL 116 CO 0.02 0.19 -0.21 0.00 -0.31 0.00 0.00 175.10 174.79 3huj s ALA 117 N -0.72 1.79 -0.09 1.32 0.00 -0.17 -1.49 121.76 122.41 3huj s ALA 117 Ca 0.06 -1.17 0.01 0.00 0.00 0.00 0.00 51.96 50.85 3huj s ALA 117 Cb -0.08 -0.28 0.02 0.00 0.00 0.00 0.00 23.12 22.78 3huj s ALA 117 CO 0.01 0.37 -0.09 0.12 0.00 0.00 0.00 175.76 176.18 3huj s PHE 118 N -1.02 1.35 -1.35 0.00 5.36 0.10 -1.83 117.98 120.60 3huj s PHE 118 Ca 0.07 -0.58 -0.11 0.00 -0.96 0.00 0.00 56.93 55.35 3huj s PHE 118 Cb -0.10 -1.09 0.08 0.00 -0.34 0.00 0.00 43.02 41.57 3huj s PHE 118 CO 0.03 -0.39 0.56 1.04 -1.46 0.00 0.00 175.22 175.01 3huj n GLN 119 N 4.45 -3.57 0.00 10.12 1.13 0.52 -2.20 117.38 127.84 3huj n GLN 119 Ca -0.17 0.48 0.00 0.00 -1.94 0.00 0.00 57.00 55.37 3huj n GLN 119 Cb 0.51 -5.21 0.00 0.00 0.11 0.00 0.00 30.24 25.64 3huj n GLN 119 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3huj n GLY 120 N -1.24 1.20 3.61 1.08 0.00 -1.26 -5.06 105.19 103.51 3huj n GLY 120 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 3huj n GLY 120 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3huj s LYS 121 N -0.79 2.46 0.24 1.61 1.02 -0.93 -5.03 119.74 118.31 3huj s LYS 121 Ca 0.00 -0.81 -0.31 0.00 0.02 0.00 0.00 55.97 54.88 3huj s LYS 121 Cb 0.00 -2.46 -0.11 0.00 -0.52 0.00 0.00 37.83 34.74 3huj s LYS 121 CO 0.00 0.57 1.55 -0.51 -0.92 0.00 0.00 175.35 176.05 3huj s ASP 122 N -1.73 6.50 -0.02 2.83 1.01 -1.26 0.01 116.67 124.02 3huj s ASP 122 Ca 0.19 2.79 0.00 0.00 0.71 0.00 0.00 52.55 56.24 3huj s ASP 122 Cb -0.11 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.18 3huj s ASP 122 CO 0.11 -0.84 -0.02 2.30 0.21 0.00 0.00 175.17 176.93 3huj n ILE 123 N 2.79 0.13 -3.79 0.77 -5.35 -0.55 -4.72 119.36 108.63 3huj n ILE 123 Ca 0.10 -0.05 -0.09 0.00 -0.27 0.00 0.00 62.75 62.44 3huj n ILE 123 Cb 0.38 -0.64 -0.03 0.00 -1.74 0.00 0.00 39.64 37.61 3huj n ILE 123 CO 0.00 0.00 0.00 -1.48 -1.76 0.00 0.00 176.55 173.31 3huj s LEU 124 N -4.98 -0.05 0.28 7.28 0.05 -1.23 -0.34 118.68 119.70 3huj s LEU 124 Ca -0.03 -0.55 -0.03 0.00 0.05 0.00 0.00 54.13 53.57 3huj s LEU 124 Cb 0.01 2.31 -0.02 0.00 -2.05 0.00 0.00 46.19 46.44 3huj s LEU 124 CO 0.05 -1.16 0.35 -0.94 -0.55 0.00 0.00 176.35 174.11 3huj s SER 125 N -2.90 0.55 -0.37 1.48 1.04 0.13 -1.77 113.70 111.87 3huj s SER 125 Ca 0.11 -1.36 -0.15 0.00 0.48 0.00 0.00 55.95 55.04 3huj s SER 125 Cb -0.03 0.55 -0.00 0.00 0.10 0.00 0.00 66.02 66.64 3huj s SER 125 CO 0.01 -1.10 0.31 0.12 0.98 0.00 0.00 173.24 173.57 3huj s PHE 126 N -3.66 3.22 -0.32 5.02 5.36 -0.40 0.47 117.98 127.67 3huj s PHE 126 Ca 0.32 -0.25 -0.02 0.00 -0.96 0.00 0.00 56.93 56.02 3huj s PHE 126 Cb 0.02 -2.61 0.06 0.00 -0.34 0.00 0.00 43.02 40.15 3huj s PHE 126 CO 0.16 -0.47 0.03 -0.65 -1.46 0.00 0.00 175.22 172.83 3huj s GLN 127 N 1.85 2.36 0.41 10.12 -1.52 -0.18 -4.49 119.66 128.21 3huj s GLN 127 Ca 0.08 -1.35 0.00 0.00 -1.95 0.00 0.00 55.36 52.14 3huj s GLN 127 Cb -0.17 -3.24 0.00 0.00 -0.22 0.00 0.00 33.01 29.38 3huj s GLN 127 CO 0.11 -0.69 0.00 0.41 -0.25 0.00 0.00 175.29 174.88 3huj n GLY 128 N 4.61 1.40 0.00 3.09 0.00 -1.26 -2.37 105.19 110.67 3huj n GLY 128 Ca -0.11 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.28 3huj n GLY 128 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3huj n THR 129 N 0.00 0.00 -3.86 2.61 -2.24 -1.26 -4.83 114.28 104.70 3huj n THR 129 Ca 0.00 -0.28 -0.09 0.00 -2.27 0.00 0.00 64.05 61.41 3huj n THR 129 Cb 0.00 0.81 -0.07 0.00 -2.10 0.00 0.00 70.33 68.97 3huj n THR 129 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3huj s SER 130 N -1.10 0.09 0.03 3.42 0.01 -1.00 -4.76 113.70 110.39 3huj s SER 130 Ca 0.00 -0.66 -0.30 0.00 1.31 0.00 0.00 55.95 56.30 3huj s SER 130 Cb 0.00 0.36 -0.04 0.00 0.21 0.00 0.00 66.02 66.55 3huj s SER 130 CO 0.00 -0.76 0.99 0.26 0.41 0.00 0.00 173.24 174.15 3huj s TRP 131 N -3.87 3.67 -0.07 2.43 0.52 -1.26 -1.01 118.94 119.35 3huj s TRP 131 Ca 0.06 1.69 0.02 0.00 0.02 0.00 0.00 56.10 57.90 3huj s TRP 131 Cb 0.05 -3.13 0.01 0.00 -1.15 0.00 0.00 33.47 29.25 3huj s TRP 131 CO -0.10 -0.06 -0.13 -1.21 0.02 0.00 0.00 176.95 175.47 3huj s GLU 132 N 0.80 1.85 0.81 4.98 2.02 0.18 -4.93 118.70 124.40 3huj s GLU 132 Ca 0.51 -0.45 -0.12 0.00 0.02 0.00 0.00 54.97 54.93 3huj s GLU 132 Cb -0.22 -1.53 0.08 0.00 0.10 0.00 0.00 34.13 32.56 3huj s GLU 132 CO 0.29 0.01 1.14 -1.25 0.02 0.00 0.00 175.26 175.47 3huj s PRO 133 N 0.73 1.80 0.48 0.39 0.04 -1.26 0.20 135.00 137.37 3huj s PRO 133 Ca -0.13 1.46 -0.07 0.00 0.04 0.00 0.00 61.00 62.30 3huj s PRO 133 Cb -0.16 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.52 3huj s PRO 133 CO 0.03 -2.03 0.80 0.95 0.04 0.00 0.00 177.00 176.79 3huj s THR 134 N -2.57 4.87 0.27 1.26 -4.23 0.54 -4.74 115.64 111.06 3huj s THR 134 Ca 0.67 0.33 0.00 0.00 -1.18 0.00 0.00 61.69 61.51 3huj s THR 134 Cb -0.22 -3.84 0.27 0.00 1.34 0.00 0.00 72.50 70.05 3huj s THR 134 CO 0.53 -0.80 1.81 1.56 -0.54 0.00 0.00 174.62 177.18 3huj h GLN 135 N 0.40 0.85 -0.47 3.99 1.08 -1.94 -2.13 115.11 116.90 3huj h GLN 135 Ca -0.47 -0.05 -0.19 0.00 -1.45 0.00 0.00 58.65 56.49 3huj h GLN 135 Cb 1.20 -0.19 -0.12 0.00 -0.05 0.00 0.00 27.48 28.32 3huj h GLN 135 CO 0.62 0.56 0.09 0.39 -0.95 0.00 0.00 178.83 179.54 3huj n GLU 136 N -4.70 2.34 -2.73 1.46 -0.58 -1.26 -5.00 120.64 110.17 3huj n GLU 136 Ca 0.18 -3.07 -0.35 0.00 -0.42 0.00 0.00 57.16 53.50 3huj n GLU 136 Cb 0.38 -1.92 -0.06 0.00 -0.57 0.00 0.00 31.44 29.27 3huj n GLU 136 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3huj s ALA 137 N -3.14 3.09 1.07 0.62 0.00 -0.80 -5.03 121.76 117.57 3huj s ALA 137 Ca 0.47 0.51 -0.12 0.00 0.00 0.00 0.00 51.96 52.82 3huj s ALA 137 Cb 0.41 -3.19 0.23 0.00 0.00 0.00 0.00 23.12 20.56 3huj s ALA 137 CO 0.05 0.05 1.07 -2.14 0.00 0.00 0.00 175.76 174.78 3huj s PRO 138 N -2.67 -0.14 0.35 0.00 0.02 -1.26 -4.93 135.00 126.37 3huj s PRO 138 Ca 0.58 0.95 0.06 0.00 0.02 0.00 0.00 61.00 62.61 3huj s PRO 138 Cb -0.15 -1.64 0.64 0.00 0.02 0.00 0.00 34.50 33.38 3huj s PRO 138 CO 0.20 -3.24 1.87 -0.07 -0.33 0.00 0.00 177.00 175.44 3huj h LEU 139 N -2.28 0.39 -2.31 -5.54 3.38 -2.01 -2.78 115.31 104.16 3huj h LEU 139 Ca -0.56 -0.08 0.03 0.00 0.09 0.00 0.00 57.88 57.36 3huj h LEU 139 Cb 1.31 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 3huj h LEU 139 CO 0.50 0.52 0.11 4.11 0.09 0.00 0.00 178.44 183.76 3huj h TRP 140 N 0.40 0.00 -0.63 1.13 5.08 -1.99 -0.79 115.95 119.14 3huj h TRP 140 Ca 0.08 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.05 3huj h TRP 140 Cb 0.38 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.51 3huj h TRP 140 CO 0.01 0.00 0.41 0.28 -1.28 0.00 0.00 178.44 177.86 3huj h VAL 141 N 0.00 1.17 -0.64 0.12 2.07 -1.85 -1.46 116.25 115.65 3huj h VAL 141 Ca 0.05 -0.33 0.11 0.00 0.82 0.00 0.00 66.70 67.35 3huj h VAL 141 Cb 0.26 0.25 -0.08 0.00 -1.52 0.00 0.00 31.29 30.20 3huj h VAL 141 CO -0.00 0.17 0.21 0.78 0.02 0.00 0.00 177.57 178.75 3huj h ASN 142 N 0.86 0.16 -0.73 0.57 -0.26 -1.31 -1.16 115.58 113.71 3huj h ASN 142 Ca 0.23 0.10 0.01 0.00 -0.56 0.00 0.00 56.30 56.08 3huj h ASN 142 Cb -0.08 0.10 -0.04 0.00 -1.06 0.00 0.00 38.32 37.25 3huj h ASN 142 CO -0.05 0.08 0.48 -0.07 -1.06 0.00 0.00 177.43 176.82 3huj h LEU 143 N 0.36 0.83 -0.25 1.61 3.38 -1.37 -0.76 115.31 119.10 3huj h LEU 143 Ca 0.34 -0.02 -0.18 0.00 0.09 0.00 0.00 57.88 58.11 3huj h LEU 143 Cb 0.47 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.02 3huj h LEU 143 CO -0.37 0.59 -0.54 0.00 0.09 0.00 0.00 178.44 178.21 3huj h ALA 144 N 1.55 0.41 -0.31 1.53 0.00 -1.28 -3.10 119.26 118.06 3huj h ALA 144 Ca 0.27 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3huj h ALA 144 Cb -0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3huj h ALA 144 CO -0.06 0.62 0.20 0.82 0.00 0.00 0.00 179.25 180.83 3huj h ILE 145 N 0.57 1.07 -0.71 0.00 5.03 -0.74 0.23 117.51 122.97 3huj h ILE 145 Ca 0.00 -0.14 0.13 0.00 -0.12 0.00 0.00 64.86 64.74 3huj h ILE 145 Cb 1.16 0.62 -0.13 0.00 -3.03 0.00 0.00 36.82 35.43 3huj h ILE 145 CO 0.12 0.08 -0.25 -0.61 -0.68 0.00 0.00 178.15 176.81 3huj h GLN 146 N 0.42 -0.05 0.21 2.37 4.15 -1.17 0.68 115.11 121.71 3huj h GLN 146 Ca 0.12 0.00 -0.32 0.00 0.77 0.00 0.00 58.65 59.22 3huj h GLN 146 Cb -0.04 0.01 0.03 0.00 0.21 0.00 0.00 27.48 27.69 3huj h GLN 146 CO -0.03 -0.04 -1.40 0.28 -1.93 0.00 0.00 178.83 175.72 3huj h VAL 147 N -0.06 1.31 -0.50 2.39 2.07 -1.38 -3.09 116.25 116.99 3huj h VAL 147 Ca 0.32 -2.68 0.01 0.00 0.82 0.00 0.00 66.70 65.17 3huj h VAL 147 Cb 0.55 2.95 -0.03 0.00 -1.52 0.00 0.00 31.29 33.24 3huj h VAL 147 CO -0.75 0.80 0.33 -0.07 0.02 0.00 0.00 177.57 177.90 3huj h LEU 148 N 0.17 0.56 0.00 2.57 3.38 -0.75 -2.32 115.31 118.92 3huj h LEU 148 Ca -0.23 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3huj h LEU 148 Cb 2.09 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.70 3huj h LEU 148 CO 0.26 0.40 0.00 0.59 0.09 0.00 0.00 178.44 179.78 3huj n ASN 149 N -4.75 0.00 0.18 -0.43 3.02 0.21 -1.77 115.26 111.72 3huj n ASN 149 Ca 0.03 0.07 0.04 0.00 -0.03 0.00 0.00 54.58 54.69 3huj n ASN 149 Cb 0.03 -0.29 0.29 0.00 -0.61 0.00 0.00 39.78 39.21 3huj n ASN 149 CO 0.00 0.00 0.00 1.56 -2.62 0.00 0.00 177.26 176.20 3huj h GLN 150 N 0.00 0.00 -5.58 3.52 4.20 -1.33 -3.43 115.11 112.49 3huj h GLN 150 Ca 0.00 0.00 -0.62 0.00 0.06 0.00 0.00 58.65 58.09 3huj h GLN 150 Cb 0.14 0.00 -0.13 0.00 0.30 0.00 0.00 27.48 27.79 3huj h GLN 150 CO 0.00 0.42 0.70 0.34 -0.67 0.00 0.00 178.83 179.62 3huj s ASP 151 N -6.49 6.23 0.07 1.46 3.68 -0.73 -4.89 116.67 116.00 3huj s ASP 151 Ca 0.00 -1.02 -0.17 0.00 2.13 0.00 0.00 52.55 53.49 3huj s ASP 151 Cb 0.11 -2.45 -0.12 0.00 -1.45 0.00 0.00 42.92 39.01 3huj s ASP 151 CO 0.70 -1.48 1.36 0.50 0.13 0.00 0.00 175.17 176.39 3huj h LYS 152 N 9.59 0.57 -0.70 4.34 3.64 -1.87 -2.56 116.57 129.58 3huj h LYS 152 Ca -0.22 -0.33 0.01 0.00 -1.27 0.00 0.00 60.65 58.84 3huj h LYS 152 Cb 1.06 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.87 3huj h LYS 152 CO 1.20 0.93 0.46 2.35 -2.27 0.00 0.00 179.45 182.12 3huj h TRP 153 N 0.25 0.87 -0.29 1.91 7.01 -1.99 -1.53 115.95 122.18 3huj h TRP 153 Ca 0.02 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 60.99 3huj h TRP 153 Cb 0.86 -0.29 -0.01 0.00 -2.10 0.00 0.00 29.16 27.61 3huj h TRP 153 CO 0.08 0.54 -0.03 1.15 -2.79 0.00 0.00 178.44 177.39 3huj h THR 154 N 0.93 1.27 -0.85 2.65 2.02 -1.96 0.37 112.91 117.35 3huj h THR 154 Ca 0.26 -1.02 0.06 0.00 0.77 0.00 0.00 66.41 66.49 3huj h THR 154 Cb -0.09 1.36 -0.06 0.00 -1.74 0.00 0.00 68.15 67.62 3huj h THR 154 CO -0.06 0.32 0.52 0.03 0.37 0.00 0.00 175.52 176.70 3huj h ARG 155 N 0.30 0.93 -0.47 6.66 3.08 -1.28 0.41 114.38 124.01 3huj h ARG 155 Ca 0.08 -0.06 -0.12 0.00 0.07 0.00 0.00 59.98 59.95 3huj h ARG 155 Cb 0.49 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 3huj h ARG 155 CO 0.02 0.61 -0.19 0.93 -1.07 0.00 0.00 179.97 180.27 3huj h GLU 156 N 0.95 0.93 -0.30 0.04 5.08 -1.05 -2.42 114.58 117.81 3huj h GLU 156 Ca 0.37 -0.38 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 3huj h GLU 156 Cb 0.17 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.37 3huj h GLU 156 CO -0.17 1.04 0.03 1.15 -1.00 0.00 0.00 179.01 180.05 3huj h THR 157 N 0.81 1.24 -0.63 1.13 2.02 -0.20 -0.64 112.91 116.64 3huj h THR 157 Ca 0.11 -0.86 0.05 0.00 0.77 0.00 0.00 66.41 66.48 3huj h THR 157 Cb 0.75 1.22 -0.05 0.00 -1.74 0.00 0.00 68.15 68.33 3huj h THR 157 CO 0.06 0.28 0.36 0.58 0.37 0.00 0.00 175.52 177.17 3huj h VAL 158 N 0.32 1.00 -0.46 3.16 2.07 -0.95 -0.98 116.25 120.41 3huj h VAL 158 Ca 0.09 -0.23 0.08 0.00 0.82 0.00 0.00 66.70 67.46 3huj h VAL 158 Cb 0.38 0.26 -0.07 0.00 -1.52 0.00 0.00 31.29 30.34 3huj h VAL 158 CO 0.01 0.12 0.05 1.56 0.02 0.00 0.00 177.57 179.33 3huj h GLN 159 N 0.68 0.17 -0.64 1.57 4.20 -1.12 -0.74 115.11 119.23 3huj h GLN 159 Ca 0.27 -0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.95 3huj h GLN 159 Cb 0.13 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.84 3huj h GLN 159 CO -0.16 0.11 0.30 2.35 -0.67 0.00 0.00 178.83 180.77 3huj h TRP 160 N 0.17 0.92 0.04 2.96 7.01 -0.35 -0.39 115.95 126.31 3huj h TRP 160 Ca 0.23 -0.05 -0.00 0.00 2.11 0.00 0.00 58.89 61.18 3huj h TRP 160 Cb 0.32 -0.28 0.00 0.00 -2.10 0.00 0.00 29.16 27.10 3huj h TRP 160 CO -0.25 0.70 -0.02 -0.07 -2.79 0.00 0.00 178.44 176.00 3huj h LEU 161 N 0.88 -0.04 -0.21 0.65 3.38 -0.93 0.12 115.31 119.16 3huj h LEU 161 Ca 0.22 -0.33 -0.06 0.00 0.09 0.00 0.00 57.88 57.79 3huj h LEU 161 Cb 0.12 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 3huj h LEU 161 CO -0.03 0.31 -0.12 -0.07 0.09 0.00 0.00 178.44 178.63 3huj h LEU 162 N -0.40 0.47 0.00 1.67 3.38 -1.10 0.45 115.31 119.78 3huj h LEU 162 Ca -0.01 -0.42 -0.29 0.00 0.09 0.00 0.00 57.88 57.25 3huj h LEU 162 Cb 0.37 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.94 3huj h LEU 162 CO 0.01 0.79 -1.70 -1.13 0.09 0.00 0.00 178.44 176.50 3huj h ASN 163 N 0.16 0.00 0.00 -0.43 -1.24 -1.17 -3.39 115.58 109.51 3huj h ASN 163 Ca 0.05 -0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.05 3huj h ASN 163 Cb 0.62 -0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.67 3huj h ASN 163 CO 0.03 1.00 -0.33 0.61 -1.29 0.00 0.00 177.43 177.46 3huj n GLY 164 N 1.55 -0.30 0.33 1.57 0.00 -0.05 -4.65 105.19 103.64 3huj n GLY 164 Ca -0.17 -0.11 -0.16 0.00 0.00 0.00 0.00 46.02 45.59 3huj n GLY 164 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3huj h THR 165 N -0.33 0.36 -0.08 2.61 2.02 -0.64 -2.98 112.91 113.88 3huj h THR 165 Ca 0.00 -0.23 0.03 0.00 0.77 0.00 0.00 66.41 66.97 3huj h THR 165 Cb 0.33 0.44 -0.06 0.00 -1.74 0.00 0.00 68.15 67.12 3huj h THR 165 CO 0.00 0.03 -0.52 0.00 0.37 0.00 0.00 175.52 175.40 3huj h PRO 167 N -0.61 0.86 -0.37 0.00 0.11 -1.76 0.12 132.00 130.35 3huj h PRO 167 Ca 0.03 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.07 3huj h PRO 167 Cb 0.69 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.59 3huj h PRO 167 CO -0.40 0.57 0.17 1.96 -0.21 0.00 0.00 178.00 180.10 3huj h GLN 168 N 0.89 0.53 0.38 1.05 4.20 -1.24 -2.61 115.11 118.32 3huj h GLN 168 Ca 0.32 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.93 3huj h GLN 168 Cb 0.14 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.83 3huj h GLN 168 CO -0.10 0.48 -0.18 0.35 -0.67 0.00 0.00 178.83 178.71 3huj h PHE 169 N 0.46 -0.47 -0.39 2.96 3.57 0.81 -2.64 116.94 121.24 3huj h PHE 169 Ca 0.13 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.67 3huj h PHE 169 Cb 0.13 0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 3huj h PHE 169 CO -0.01 -0.25 0.26 0.28 -2.23 0.00 0.00 178.31 176.36 3huj h VAL 170 N -0.60 0.95 -0.66 1.41 2.07 -0.89 0.04 116.25 118.57 3huj h VAL 170 Ca -0.05 -0.10 -0.07 0.00 0.82 0.00 0.00 66.70 67.30 3huj h VAL 170 Cb 0.44 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.83 3huj h VAL 170 CO 0.09 0.05 0.12 0.28 0.02 0.00 0.00 177.57 178.13 3huj h SER 171 N 0.28 1.02 -0.27 0.57 0.02 -1.28 0.85 113.55 114.74 3huj h SER 171 Ca 0.17 -0.23 -0.19 0.00 -0.84 0.00 0.00 61.79 60.70 3huj h SER 171 Cb 0.32 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.59 3huj h SER 171 CO -0.03 1.00 -0.55 1.23 -1.14 0.00 0.00 176.83 177.34 3huj h GLY 172 N 1.05 0.95 0.90 -3.77 0.00 -0.75 -2.93 103.07 98.52 3huj h GLY 172 Ca 0.20 -1.10 -0.01 0.00 0.00 0.00 0.00 47.33 46.42 3huj h GLY 172 CO 0.01 0.99 0.07 1.41 0.00 0.00 0.00 176.54 179.02 3huj h LEU 173 N 0.66 0.21 -1.26 3.11 3.38 -0.92 0.69 115.31 121.19 3huj h LEU 173 Ca 0.01 -0.14 0.08 0.00 0.09 0.00 0.00 57.88 57.93 3huj h LEU 173 Cb 1.15 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.79 3huj h LEU 173 CO 0.12 0.29 0.54 -0.07 0.09 0.00 0.00 178.44 179.42 3huj h LEU 174 N 0.12 0.77 -0.01 1.67 3.38 -0.87 0.15 115.31 120.52 3huj h LEU 174 Ca 0.05 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.97 3huj h LEU 174 Cb 0.14 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 40.75 3huj h LEU 174 CO -0.01 0.47 -0.27 -0.08 0.09 0.00 0.00 178.44 178.65 3huj h GLU 175 N 0.86 0.20 0.00 1.13 4.81 -1.43 -3.17 114.58 116.97 3huj h GLU 175 Ca 0.37 -0.20 -0.07 0.00 -0.13 0.00 0.00 59.36 59.33 3huj h GLU 175 Cb 0.33 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.75 3huj h GLU 175 CO -0.14 0.92 -0.34 1.03 -0.73 0.00 0.00 179.01 179.74 3huj h SER 176 N -0.44 0.00 -0.46 1.04 0.87 -0.20 -2.95 113.55 111.41 3huj h SER 176 Ca -0.03 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.53 3huj h SER 176 Cb 1.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.96 3huj h SER 176 CO 0.05 0.34 0.00 0.61 -0.53 0.00 0.00 176.83 177.30 3huj n GLY 177 N 0.08 3.10 0.42 5.77 0.00 0.47 -4.83 105.19 110.21 3huj n GLY 177 Ca -0.00 -0.76 -0.11 0.00 0.00 0.00 0.00 46.02 45.15 3huj n GLY 177 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3huj h LYS 178 N 2.87 -0.06 -0.14 1.61 1.63 -1.49 -0.05 116.57 120.95 3huj h LYS 178 Ca 0.00 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 59.82 3huj h LYS 178 Cb 1.23 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.86 3huj h LYS 178 CO 0.16 -0.04 0.02 0.66 -3.45 0.00 0.00 179.45 176.80 3huj h SER 179 N -0.06 -0.01 0.26 4.20 4.64 -1.88 -2.62 113.55 118.08 3huj h SER 179 Ca 0.15 0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.44 3huj h SER 179 Cb 0.45 0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 62.57 3huj h SER 179 CO -0.89 0.02 -0.26 -0.08 -0.87 0.00 0.00 176.83 174.75 3huj h GLU 180 N 0.07 0.00 -0.02 4.77 4.81 -1.58 -2.20 114.58 120.44 3huj h GLU 180 Ca 0.06 -0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.08 3huj h GLU 180 Cb 0.06 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 3huj h GLU 180 CO -0.09 0.26 -0.88 1.25 -0.73 0.00 0.00 179.01 178.82 3huj h LEU 181 N 0.00 0.48 -2.70 1.64 5.85 -0.74 -3.24 115.31 116.60 3huj h LEU 181 Ca -0.00 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.35 3huj h LEU 181 Cb 0.46 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.35 3huj h LEU 181 CO 0.03 1.15 0.00 2.29 -0.34 0.00 0.00 178.44 181.57 3huj n LYS 182 N -3.75 2.69 -1.76 1.25 2.85 -1.02 -5.00 118.16 113.43 3huj n LYS 182 Ca -0.06 -2.52 -0.39 0.00 -1.05 0.00 0.00 58.31 54.30 3huj n LYS 182 Cb 0.80 -1.52 0.04 0.00 -0.65 0.00 0.00 35.03 33.70 3huj n LYS 182 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 3huj s LYS 183 N -1.07 3.17 -0.13 -1.58 2.20 -0.84 -5.02 119.74 116.47 3huj s LYS 183 Ca 0.44 2.29 0.03 0.00 -0.36 0.00 0.00 55.97 58.37 3huj s LYS 183 Cb 0.23 -2.30 0.01 0.00 -1.51 0.00 0.00 37.83 34.26 3huj s LYS 183 CO 0.31 -1.18 -0.23 -0.65 -0.36 0.00 0.00 175.35 173.24 3huj s GLN 184 N -2.86 3.03 -0.13 4.03 -1.52 -1.26 -4.16 119.66 116.78 3huj s GLN 184 Ca 0.71 -0.86 0.02 0.00 -1.95 0.00 0.00 55.36 53.27 3huj s GLN 184 Cb -0.42 -2.40 0.01 0.00 -0.22 0.00 0.00 33.01 29.99 3huj s GLN 184 CO 0.50 0.04 -0.18 0.08 -0.25 0.00 0.00 175.29 175.48 3huj s VAL 185 N 0.68 1.79 0.27 1.09 1.01 -0.53 -4.99 120.40 119.73 3huj s VAL 185 Ca -0.10 -0.81 -0.29 0.00 0.00 0.00 0.00 61.98 60.77 3huj s VAL 185 Cb -0.16 -1.61 -0.09 0.00 0.00 0.00 0.00 36.38 34.51 3huj s VAL 185 CO 0.01 0.50 1.20 -0.54 0.00 0.00 0.00 175.10 176.27 3huj s LYS 186 N 1.01 4.50 0.75 2.72 1.02 -1.26 -1.83 119.74 126.65 3huj s LYS 186 Ca -0.04 1.97 -0.12 0.00 0.02 0.00 0.00 55.97 57.81 3huj s LYS 186 Cb -0.15 -3.16 0.04 0.00 -0.52 0.00 0.00 37.83 34.05 3huj s LYS 186 CO -0.04 -0.01 1.10 -1.25 -0.92 0.00 0.00 175.35 174.24 3huj s PRO 187 N -1.23 2.46 -0.04 -1.68 0.04 -1.26 -4.39 135.00 128.90 3huj s PRO 187 Ca 0.48 0.50 0.03 0.00 0.04 0.00 0.00 61.00 62.05 3huj s PRO 187 Cb -0.35 -1.97 0.00 0.00 0.04 0.00 0.00 34.50 32.22 3huj s PRO 187 CO 0.44 -1.32 -0.14 0.15 0.04 0.00 0.00 177.00 176.16 3huj s LYS 188 N -5.30 1.57 0.00 4.56 1.02 -0.04 -4.96 119.74 116.59 3huj s LYS 188 Ca 0.60 -0.50 0.06 0.00 0.02 0.00 0.00 55.97 56.15 3huj s LYS 188 Cb -0.12 -1.37 -0.02 0.00 -0.52 0.00 0.00 37.83 35.80 3huj s LYS 188 CO 0.52 0.17 -0.19 0.00 -0.92 0.00 0.00 175.35 174.93 3huj s ALA 189 N 0.21 1.62 0.03 5.17 0.00 -1.26 -1.44 121.76 126.09 3huj s ALA 189 Ca -0.06 -0.89 -0.06 0.00 0.00 0.00 0.00 51.96 50.96 3huj s ALA 189 Cb -0.12 -0.38 -0.01 0.00 0.00 0.00 0.00 23.12 22.61 3huj s ALA 189 CO 0.02 0.39 0.11 1.67 0.00 0.00 0.00 175.76 177.94 3huj s TRP 190 N -0.55 0.17 0.11 0.00 -2.14 -0.53 -5.00 118.94 110.99 3huj s TRP 190 Ca 0.07 -0.44 0.02 0.00 2.66 0.00 0.00 56.10 58.42 3huj s TRP 190 Cb -0.08 -0.12 -0.04 0.00 -3.10 0.00 0.00 33.47 30.13 3huj s TRP 190 CO -0.00 -0.35 0.19 -0.51 -2.66 0.00 0.00 176.95 173.62 3huj s LEU 191 N -2.00 4.14 0.26 -4.66 1.43 -1.26 -0.85 118.68 115.74 3huj s LEU 191 Ca -0.07 0.11 -0.11 0.00 -1.03 0.00 0.00 54.13 53.03 3huj s LEU 191 Cb -0.02 -2.74 -0.00 0.00 0.03 0.00 0.00 46.19 43.45 3huj s LEU 191 CO -0.04 0.11 0.48 -0.94 0.23 0.00 0.00 176.35 176.20 3huj s SER 192 N -2.83 0.03 -0.28 2.29 1.04 -0.05 -4.76 113.70 109.15 3huj s SER 192 Ca 0.33 -1.02 -0.03 0.00 0.48 0.00 0.00 55.95 55.71 3huj s SER 192 Cb -0.12 0.60 0.03 0.00 0.10 0.00 0.00 66.02 66.63 3huj s SER 192 CO 0.26 -1.17 -0.00 -0.60 0.98 0.00 0.00 173.24 172.71 3huj s ARG 193 N -3.85 2.72 1.04 4.02 3.52 -1.26 -0.88 118.95 124.26 3huj s ARG 193 Ca 0.24 -1.07 -0.18 0.00 -0.13 0.00 0.00 55.73 54.59 3huj s ARG 193 Cb -0.01 -3.15 0.24 0.00 -1.56 0.00 0.00 34.95 30.47 3huj s ARG 193 CO 0.11 -0.50 1.31 0.41 -0.81 0.00 0.00 175.30 175.81 3huj n GLY 194 N 4.70 -1.74 3.74 8.12 0.00 -0.24 -5.00 105.19 114.76 3huj n GLY 194 Ca -0.15 -1.67 -0.41 0.00 0.00 0.00 0.00 46.02 43.79 3huj n GLY 194 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3huj n PRO 195 N -4.05 2.37 -2.12 1.61 -0.02 -1.26 -4.53 135.00 127.00 3huj n PRO 195 Ca 0.17 0.83 -0.42 0.00 -2.02 0.00 0.00 63.50 62.06 3huj n PRO 195 Cb 0.59 -2.53 -0.03 0.00 -0.02 0.00 0.00 33.50 31.51 3huj n PRO 195 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3huj s SER 196 N -0.27 6.76 0.00 2.55 0.15 -1.26 -4.46 113.70 117.16 3huj s SER 196 Ca 0.56 2.18 0.29 0.00 0.70 0.00 0.00 55.95 59.68 3huj s SER 196 Cb -0.50 -2.55 1.30 0.00 -1.71 0.00 0.00 66.02 62.56 3huj s SER 196 CO 0.62 -0.82 1.89 -0.81 1.20 0.00 0.00 173.24 175.32 3huj n PRO 197 N 6.05 1.24 0.00 5.44 -0.05 -1.25 -4.89 135.00 141.54 3huj n PRO 197 Ca 0.15 -0.53 0.00 0.00 -0.05 0.00 0.00 63.50 63.07 3huj n PRO 197 Cb 0.43 -1.49 0.00 0.00 -0.05 0.00 0.00 33.50 32.39 3huj n PRO 197 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 3huj n GLY 198 N 1.16 1.17 3.88 0.55 0.00 -1.21 -4.84 105.19 105.89 3huj n GLY 198 Ca 0.19 -1.07 -0.30 0.00 0.00 0.00 0.00 46.02 44.84 3huj n GLY 198 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3huj s PRO 199 N 2.21 3.40 -0.95 1.61 0.04 -1.26 -4.83 135.00 135.22 3huj s PRO 199 Ca 0.00 0.59 -0.00 0.00 0.04 0.00 0.00 61.00 61.63 3huj s PRO 199 Cb 0.00 -2.11 0.32 0.00 0.04 0.00 0.00 34.50 32.75 3huj s PRO 199 CO 0.00 -0.64 1.55 0.41 0.04 0.00 0.00 177.00 178.36 3huj n GLY 200 N -2.74 5.75 3.73 0.56 0.00 -1.26 -5.12 105.19 106.10 3huj n GLY 200 Ca 0.06 -2.65 -0.33 0.00 0.00 0.00 0.00 46.02 43.10 3huj n GLY 200 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3huj s ARG 201 N -3.71 2.90 -0.02 1.61 0.52 -1.26 -0.48 118.95 118.50 3huj s ARG 201 Ca 0.38 -0.57 0.04 0.00 -0.52 0.00 0.00 55.73 55.07 3huj s ARG 201 Cb 0.17 -2.75 -0.03 0.00 0.52 0.00 0.00 34.95 32.86 3huj s ARG 201 CO -0.06 0.63 -0.13 -1.17 0.02 0.00 0.00 175.30 174.59 3huj s LEU 202 N -1.68 2.85 -0.36 2.53 0.20 0.57 -3.35 118.68 119.44 3huj s LEU 202 Ca 0.21 -0.22 -0.09 0.00 0.69 0.00 0.00 54.13 54.73 3huj s LEU 202 Cb -0.12 -1.62 0.04 0.00 -0.43 0.00 0.00 46.19 44.05 3huj s LEU 202 CO 0.12 0.31 0.16 -0.22 -0.29 0.00 0.00 176.35 176.44 3huj s LEU 203 N -1.06 4.56 -0.08 -0.68 2.96 -1.26 -1.75 118.68 121.36 3huj s LEU 203 Ca 0.14 -1.08 -0.13 0.00 -0.22 0.00 0.00 54.13 52.84 3huj s LEU 203 Cb -0.11 -1.95 -0.05 0.00 0.50 0.00 0.00 46.19 44.58 3huj s LEU 203 CO 0.03 -0.37 0.31 -0.76 -1.32 0.00 0.00 176.35 174.24 3huj s LEU 204 N 1.48 4.38 -0.12 -0.68 1.43 -0.35 -1.08 118.68 123.74 3huj s LEU 204 Ca 0.00 0.70 0.01 0.00 -1.03 0.00 0.00 54.13 53.80 3huj s LEU 204 Cb -0.19 -2.39 0.02 0.00 0.03 0.00 0.00 46.19 43.65 3huj s LEU 204 CO 0.05 0.27 -0.11 -0.69 0.23 0.00 0.00 176.35 176.09 3huj s VAL 205 N -0.55 1.27 -0.39 -1.59 1.01 -0.06 -1.62 120.40 118.47 3huj s VAL 205 Ca 0.19 -0.47 -0.13 0.00 0.00 0.00 0.00 61.98 61.57 3huj s VAL 205 Cb -0.14 -1.22 0.02 0.00 0.00 0.00 0.00 36.38 35.04 3huj s VAL 205 CO 0.08 0.40 0.26 0.00 0.00 0.00 0.00 175.10 175.84 3huj s HIS 207 N 1.63 3.49 -0.12 0.00 3.76 -0.03 -1.96 115.29 122.06 3huj s HIS 207 Ca 0.04 0.69 0.00 0.00 -0.15 0.00 0.00 55.06 55.64 3huj s HIS 207 Cb -0.19 -2.39 0.02 0.00 1.11 0.00 0.00 32.58 31.14 3huj s HIS 207 CO 0.09 0.25 -0.11 0.08 -0.85 0.00 0.00 174.74 174.19 3huj s VAL 208 N 0.41 1.27 0.01 -0.90 1.01 -0.25 -1.46 120.40 120.50 3huj s VAL 208 Ca 0.19 -0.46 0.00 0.00 0.00 0.00 0.00 61.98 61.72 3huj s VAL 208 Cb -0.14 -1.23 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 3huj s VAL 208 CO 0.06 0.41 -0.02 -0.55 0.00 0.00 0.00 175.10 175.00 3huj s SER 209 N 1.50 0.17 0.00 3.32 0.15 -0.52 0.70 113.70 119.02 3huj s SER 209 Ca 0.03 -0.28 0.00 0.00 0.70 0.00 0.00 55.95 56.39 3huj s SER 209 Cb -0.13 0.05 0.00 0.00 -1.71 0.00 0.00 66.02 64.23 3huj s SER 209 CO -0.08 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 174.81 3huj n GLY 210 N 2.24 1.11 3.89 9.45 0.00 -0.33 -0.87 105.19 120.69 3huj n GLY 210 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 3huj n GLY 210 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3huj s PHE 211 N -2.00 3.48 -0.18 1.61 -0.71 -1.22 -4.19 117.98 114.78 3huj s PHE 211 Ca 0.00 0.58 -0.11 0.00 -1.04 0.00 0.00 56.93 56.36 3huj s PHE 211 Cb 0.00 -2.02 0.06 0.00 -1.21 0.00 0.00 43.02 39.85 3huj s PHE 211 CO 0.00 0.44 0.44 -0.47 -1.34 0.00 0.00 175.22 174.29 3huj s TYR 212 N -1.63 -0.62 0.15 3.49 5.04 -0.76 -1.39 117.35 121.63 3huj s TYR 212 Ca 0.40 1.33 -0.01 0.00 -2.44 0.00 0.00 57.07 56.35 3huj s TYR 212 Cb -0.12 0.28 0.03 0.00 0.35 0.00 0.00 41.96 42.50 3huj s TYR 212 CO 0.24 -0.34 0.20 -0.35 -1.34 0.00 0.00 175.55 173.96 3huj n PRO 213 N 4.01 0.17 -0.28 4.97 -0.04 -1.26 -1.45 135.00 141.12 3huj n PRO 213 Ca -0.21 -0.43 -0.03 0.00 -0.04 0.00 0.00 63.50 62.79 3huj n PRO 213 Cb 0.56 -0.17 0.09 0.00 -0.04 0.00 0.00 33.50 33.94 3huj n PRO 213 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 3huj h LYS 214 N 0.00 0.95 -6.63 0.54 3.64 -1.96 -3.44 116.57 109.67 3huj h LYS 214 Ca -0.07 -0.06 -0.53 0.00 -1.27 0.00 0.00 60.65 58.73 3huj h LYS 214 Cb 0.22 -0.21 0.04 0.00 -0.41 0.00 0.00 32.23 31.86 3huj h LYS 214 CO 0.06 0.63 0.82 -2.14 -2.27 0.00 0.00 179.45 176.55 3huj s PRO 215 N -6.11 4.25 0.14 1.90 0.02 -1.26 -4.98 135.00 128.95 3huj s PRO 215 Ca -0.13 2.29 -0.17 0.00 0.02 0.00 0.00 61.00 63.01 3huj s PRO 215 Cb 0.16 -3.16 0.04 0.00 0.02 0.00 0.00 34.50 31.56 3huj s PRO 215 CO 0.78 -0.53 0.44 0.54 -0.33 0.00 0.00 177.00 177.91 3huj s VAL 216 N 0.84 0.05 -0.07 3.83 0.11 -1.26 -4.68 120.40 119.24 3huj s VAL 216 Ca 0.66 -0.52 -0.00 0.00 -2.93 0.00 0.00 61.98 59.19 3huj s VAL 216 Cb -0.42 -1.19 0.02 0.00 -1.53 0.00 0.00 36.38 33.27 3huj s VAL 216 CO 0.34 -0.25 -0.03 0.86 -3.33 0.00 0.00 175.10 172.69 3huj s TRP 217 N -3.80 0.83 -0.02 1.54 -0.00 0.16 -5.01 118.94 112.63 3huj s TRP 217 Ca 0.03 -0.27 -0.00 0.00 -0.00 0.00 0.00 56.10 55.86 3huj s TRP 217 Cb 0.01 -0.81 0.03 0.00 -0.00 0.00 0.00 33.47 32.70 3huj s TRP 217 CO -0.11 -0.30 0.03 0.08 -0.00 0.00 0.00 176.95 176.65 3huj s VAL 218 N 1.48 -0.05 -0.13 5.86 1.01 -1.26 0.67 120.40 127.98 3huj s VAL 218 Ca -0.02 0.25 -0.24 0.00 0.00 0.00 0.00 61.98 61.97 3huj s VAL 218 Cb -0.13 -0.11 0.06 0.00 0.00 0.00 0.00 36.38 36.20 3huj s VAL 218 CO -0.03 0.11 0.59 -0.75 0.00 0.00 0.00 175.10 175.02 3huj s LYS 219 N 1.28 0.83 0.29 2.72 2.20 -0.63 -4.90 119.74 121.53 3huj s LYS 219 Ca -0.06 0.48 -0.28 0.00 -0.36 0.00 0.00 55.97 55.75 3huj s LYS 219 Cb -0.13 0.39 -0.09 0.00 -1.51 0.00 0.00 37.83 36.49 3huj s LYS 219 CO -0.03 -0.19 0.99 -1.58 -0.36 0.00 0.00 175.35 174.18 3huj s TRP 220 N -0.46 3.74 -0.01 4.03 0.52 -1.26 -0.41 118.94 125.08 3huj s TRP 220 Ca -0.06 1.80 -0.08 0.00 0.02 0.00 0.00 56.10 57.79 3huj s TRP 220 Cb -0.03 -3.05 0.01 0.00 -1.15 0.00 0.00 33.47 29.25 3huj s TRP 220 CO 0.05 0.05 0.17 -1.64 0.02 0.00 0.00 176.95 175.59 3huj s MET 221 N -1.62 0.45 -0.47 4.98 -1.94 0.26 -0.99 119.30 119.97 3huj s MET 221 Ca 0.46 -0.24 -0.06 0.00 -1.71 0.00 0.00 55.69 54.14 3huj s MET 221 Cb -0.25 0.19 0.12 0.00 2.01 0.00 0.00 34.83 36.91 3huj s MET 221 CO 0.31 -0.10 0.30 0.50 -0.01 0.00 0.00 175.02 176.02 3huj s ARG 222 N -1.07 2.30 7.73 2.03 3.52 -0.66 0.15 118.95 132.95 3huj s ARG 222 Ca -0.12 -1.88 0.00 0.00 -0.13 0.00 0.00 55.73 53.60 3huj s ARG 222 Cb -0.06 -3.77 0.00 0.00 -1.56 0.00 0.00 34.95 29.56 3huj s ARG 222 CO 0.02 -1.14 0.00 0.41 -0.81 0.00 0.00 175.30 173.77 3huj n GLY 223 N 4.61 2.87 0.91 8.12 0.00 -1.26 -2.67 105.19 117.78 3huj n GLY 223 Ca -0.03 -0.24 0.12 0.00 0.00 0.00 0.00 46.02 45.86 3huj n GLY 223 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3huj n GLU 224 N 12.90 2.22 -3.72 1.61 0.28 -1.26 -4.93 120.64 127.74 3huj n GLU 224 Ca 0.00 -1.82 -0.36 0.00 -0.16 0.00 0.00 57.16 54.82 3huj n GLU 224 Cb 0.00 -1.47 -0.07 0.00 1.43 0.00 0.00 31.44 31.33 3huj n GLU 224 CO 0.00 0.00 0.00 1.14 -0.16 0.00 0.00 177.13 178.11 3huj s GLN 225 N -1.75 3.93 0.44 3.44 -2.07 -1.09 -5.08 119.66 117.47 3huj s GLN 225 Ca 0.34 -0.08 -0.23 0.00 -1.82 0.00 0.00 55.36 53.58 3huj s GLN 225 Cb 0.21 -3.33 -0.08 0.00 -1.09 0.00 0.00 33.01 28.72 3huj s GLN 225 CO 0.30 0.48 1.09 -1.21 -1.32 0.00 0.00 175.29 174.63 3huj s GLU 226 N -0.20 3.95 -0.76 9.60 2.02 -1.26 -1.65 118.70 130.42 3huj s GLU 226 Ca 0.13 1.58 -0.16 0.00 0.02 0.00 0.00 54.97 56.54 3huj s GLU 226 Cb -0.12 -2.41 0.16 0.00 0.10 0.00 0.00 34.13 31.86 3huj s GLU 226 CO 0.02 -0.34 0.79 -0.65 0.02 0.00 0.00 175.26 175.10 3huj s GLN 227 N -2.69 3.39 0.00 1.61 -1.52 -0.17 -4.84 119.66 115.45 3huj s GLN 227 Ca 0.61 -1.97 -0.30 0.00 -1.95 0.00 0.00 55.36 51.75 3huj s GLN 227 Cb -0.23 -4.47 -0.08 0.00 -0.22 0.00 0.00 33.01 28.01 3huj s GLN 227 CO 0.29 -1.44 1.86 1.14 -0.25 0.00 0.00 175.29 176.88 3huj s GLN 228 N 1.40 4.14 0.00 2.91 -2.07 -1.26 -1.33 119.66 123.46 3huj s GLN 228 Ca 0.17 2.46 0.00 0.00 -1.82 0.00 0.00 55.36 56.17 3huj s GLN 228 Cb -0.15 -4.10 0.00 0.00 -1.09 0.00 0.00 33.01 27.67 3huj s GLN 228 CO -0.04 -0.93 0.00 0.41 -1.32 0.00 0.00 175.29 173.41 3huj n GLY 229 N 4.41 1.76 3.64 2.60 0.00 -1.26 -5.09 105.19 111.25 3huj n GLY 229 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 3huj n GLY 229 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3huj s THR 230 N -1.55 3.31 -0.48 2.61 2.01 -0.44 -4.77 115.64 116.34 3huj s THR 230 Ca 0.00 0.36 -0.17 0.00 0.31 0.00 0.00 61.69 62.18 3huj s THR 230 Cb 0.00 -3.30 0.06 0.00 0.01 0.00 0.00 72.50 69.26 3huj s THR 230 CO 0.00 -0.11 0.49 -1.10 -0.69 0.00 0.00 174.62 173.21 3huj s GLN 231 N 4.95 3.05 0.61 4.92 -0.21 -0.93 -4.96 119.66 127.09 3huj s GLN 231 Ca 0.84 -1.06 -0.15 0.00 0.02 0.00 0.00 55.36 55.01 3huj s GLN 231 Cb -0.33 -4.09 -0.03 0.00 1.00 0.00 0.00 33.01 29.56 3huj s GLN 231 CO 0.34 -1.07 1.06 -1.25 -2.12 0.00 0.00 175.29 172.25 3huj s PRO 232 N 2.12 3.28 0.04 2.91 0.04 -1.26 -1.43 135.00 140.69 3huj s PRO 232 Ca 0.10 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.29 3huj s PRO 232 Cb -0.21 -2.03 0.01 0.00 0.04 0.00 0.00 34.50 32.31 3huj s PRO 232 CO 0.10 -0.84 0.05 0.41 0.04 0.00 0.00 177.00 176.76 3huj n GLY 233 N -1.16 0.98 3.77 0.56 0.00 -0.88 -4.94 105.19 103.52 3huj n GLY 233 Ca 0.08 -1.99 -0.37 0.00 0.00 0.00 0.00 46.02 43.74 3huj n GLY 233 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3huj s ASP 234 N -1.22 6.49 -0.33 1.61 -0.00 -1.26 -4.89 116.67 117.06 3huj s ASP 234 Ca 0.04 2.24 -0.29 0.00 -0.00 0.00 0.00 52.55 54.54 3huj s ASP 234 Cb -0.00 -2.60 0.01 0.00 -0.00 0.00 0.00 42.92 40.32 3huj s ASP 234 CO 0.02 -0.69 1.25 -0.63 -0.00 0.00 0.00 175.17 175.12 3huj s ILE 235 N -1.52 4.21 -0.11 0.77 1.01 -1.26 -4.61 121.20 119.68 3huj s ILE 235 Ca 0.59 1.35 -0.07 0.00 0.00 0.00 0.00 60.65 62.52 3huj s ILE 235 Cb -0.27 -4.26 -0.04 0.00 0.01 0.00 0.00 42.46 37.90 3huj s ILE 235 CO 0.34 -0.55 0.15 -0.76 0.00 0.00 0.00 174.94 174.13 3huj s LEU 236 N 4.30 4.39 0.17 2.97 1.02 0.98 -4.88 118.68 127.64 3huj s LEU 236 Ca 0.53 0.48 -0.30 0.00 0.02 0.00 0.00 54.13 54.86 3huj s LEU 236 Cb -0.15 -2.12 -0.08 0.00 0.02 0.00 0.00 46.19 43.87 3huj s LEU 236 CO 0.23 0.40 1.11 -2.16 0.02 0.00 0.00 176.35 175.94 3huj s PRO 237 N -1.08 4.58 0.33 1.29 0.04 -1.26 0.21 135.00 139.11 3huj s PRO 237 Ca 0.16 1.72 0.01 0.00 0.04 0.00 0.00 61.00 62.93 3huj s PRO 237 Cb -0.12 -3.28 -0.03 0.00 0.04 0.00 0.00 34.50 31.11 3huj s PRO 237 CO 0.05 0.06 0.52 -0.80 0.04 0.00 0.00 177.00 176.87 3huj s ASN 238 N -0.06 6.30 0.53 6.66 0.01 -0.09 -4.88 114.94 123.41 3huj s ASN 238 Ca 0.50 0.39 0.27 0.00 -0.71 0.00 0.00 52.86 53.30 3huj s ASN 238 Cb -0.29 -2.00 1.49 0.00 0.41 0.00 0.00 41.25 40.85 3huj s ASN 238 CO 0.35 -0.26 2.10 0.00 -1.51 0.00 0.00 177.10 177.78 3huj h ALA 239 N 0.82 1.36 -0.54 0.60 0.00 -1.98 -2.64 119.26 116.88 3huj h ALA 239 Ca -0.50 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.20 3huj h ALA 239 Cb 1.22 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 18.93 3huj h ALA 239 CO 0.61 0.13 0.14 -0.40 0.00 0.00 0.00 179.25 179.73 3huj n ASP 240 N -3.73 4.37 -0.57 0.00 3.85 -1.26 -4.89 116.55 114.32 3huj n ASP 240 Ca -0.02 -2.87 -0.07 0.00 -0.71 0.00 0.00 54.79 51.11 3huj n ASP 240 Cb 0.21 -0.68 -0.03 0.00 -1.35 0.00 0.00 41.12 39.27 3huj n ASP 240 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3huj n GLU 241 N 0.13 -1.23 -2.54 0.11 1.02 -0.99 -5.01 120.64 112.13 3huj n GLU 241 Ca 0.29 0.69 -0.23 0.00 -0.02 0.00 0.00 57.16 57.89 3huj n GLU 241 Cb 1.11 -4.79 0.08 0.00 -0.02 0.00 0.00 31.44 27.82 3huj n GLU 241 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3huj s THR 242 N -1.92 2.32 0.26 2.62 -4.23 -1.26 -4.91 115.64 108.52 3huj s THR 242 Ca 0.00 -0.56 0.11 0.00 -1.18 0.00 0.00 61.69 60.06 3huj s THR 242 Cb 0.00 -2.76 -0.05 0.00 1.34 0.00 0.00 72.50 71.03 3huj s THR 242 CO 0.00 0.00 -0.19 0.26 -0.54 0.00 0.00 174.62 174.15 3huj s TRP 243 N -3.05 2.16 0.06 3.99 0.52 -0.49 -0.91 118.94 121.21 3huj s TRP 243 Ca 0.63 -0.39 0.04 0.00 0.02 0.00 0.00 56.10 56.40 3huj s TRP 243 Cb -0.08 -0.95 -0.03 0.00 -1.15 0.00 0.00 33.47 31.27 3huj s TRP 243 CO 0.43 0.64 -0.12 -0.47 0.02 0.00 0.00 176.95 177.44 3huj s TYR 244 N -2.61 1.03 -0.04 -1.98 5.04 0.13 -1.19 117.35 117.74 3huj s TYR 244 Ca 0.28 -0.44 -0.08 0.00 -2.44 0.00 0.00 57.07 54.39 3huj s TYR 244 Cb -0.04 -0.59 0.01 0.00 0.35 0.00 0.00 41.96 41.69 3huj s TYR 244 CO 0.13 0.01 0.20 -1.17 -1.34 0.00 0.00 175.55 173.38 3huj s LEU 245 N -1.55 1.27 -0.33 6.97 2.96 0.22 -0.01 118.68 128.21 3huj s LEU 245 Ca -0.04 0.16 0.01 0.00 -0.22 0.00 0.00 54.13 54.04 3huj s LEU 245 Cb -0.09 0.79 0.10 0.00 0.50 0.00 0.00 46.19 47.48 3huj s LEU 245 CO 0.01 -0.23 0.09 -0.60 -1.32 0.00 0.00 176.35 174.31 3huj s ARG 246 N -0.61 1.03 -0.24 1.98 3.52 -1.26 -1.09 118.95 122.28 3huj s ARG 246 Ca -0.07 -1.43 -0.16 0.00 -0.13 0.00 0.00 55.73 53.95 3huj s ARG 246 Cb -0.04 -2.45 -0.04 0.00 -1.56 0.00 0.00 34.95 30.86 3huj s ARG 246 CO 0.01 -0.98 0.40 0.00 -0.81 0.00 0.00 175.30 173.92 3huj s ALA 247 N 1.27 3.57 0.23 6.12 0.00 -0.83 -2.07 121.76 130.05 3huj s ALA 247 Ca 0.11 -0.66 0.06 0.00 0.00 0.00 0.00 51.96 51.48 3huj s ALA 247 Cb -0.18 -2.68 -0.04 0.00 0.00 0.00 0.00 23.12 20.22 3huj s ALA 247 CO -0.18 -0.49 0.18 0.95 0.00 0.00 0.00 175.76 176.22 3huj s THR 248 N 1.71 4.45 -0.14 0.00 -4.23 -0.52 -1.23 115.64 115.68 3huj s THR 248 Ca 0.17 -1.31 -0.06 0.00 -1.18 0.00 0.00 61.69 59.32 3huj s THR 248 Cb -0.15 -3.36 0.07 0.00 1.34 0.00 0.00 72.50 70.39 3huj s THR 248 CO 0.09 -0.28 0.30 -0.22 -0.54 0.00 0.00 174.62 173.97 3huj s LEU 249 N -3.62 -0.25 -0.52 4.79 0.20 -0.64 -2.20 118.68 116.44 3huj s LEU 249 Ca 0.32 0.68 -0.18 0.00 0.69 0.00 0.00 54.13 55.64 3huj s LEU 249 Cb -0.08 0.87 0.07 0.00 -0.43 0.00 0.00 46.19 46.62 3huj s LEU 249 CO 0.24 -0.22 0.61 -0.62 -0.29 0.00 0.00 176.35 176.07 3huj s ASP 250 N 2.22 6.20 0.05 3.68 3.68 -1.26 -1.22 116.67 130.02 3huj s ASP 250 Ca -0.02 -1.11 0.09 0.00 2.13 0.00 0.00 52.55 53.64 3huj s ASP 250 Cb -0.12 -2.28 -0.03 0.00 -1.45 0.00 0.00 42.92 39.05 3huj s ASP 250 CO -0.10 -0.91 -0.25 0.54 0.13 0.00 0.00 175.17 174.59 3huj s VAL 251 N 2.48 2.25 0.86 1.11 0.11 -0.72 -4.96 120.40 121.54 3huj s VAL 251 Ca 0.12 -1.36 -0.11 0.00 -2.93 0.00 0.00 61.98 57.71 3huj s VAL 251 Cb -0.21 -1.89 0.11 0.00 -1.53 0.00 0.00 36.38 32.86 3huj s VAL 251 CO 0.10 0.36 1.11 -0.69 -3.33 0.00 0.00 175.10 172.65 3huj s VAL 252 N -0.83 2.68 0.00 2.04 1.01 -1.26 -0.32 120.40 123.72 3huj s VAL 252 Ca 0.12 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.32 3huj s VAL 252 Cb -0.10 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.78 3huj s VAL 252 CO 0.03 -0.29 0.00 0.00 0.00 0.00 0.00 175.10 174.84 3huj n ALA 253 N -3.92 0.00 0.00 5.51 0.00 0.36 -4.23 120.51 118.23 3huj n ALA 253 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3huj n ALA 253 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 3huj n ALA 253 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3huj n GLY 254 N 0.00 0.88 3.73 0.00 0.00 -1.26 -3.81 105.19 104.73 3huj n GLY 254 Ca 0.00 -1.67 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 3huj n GLY 254 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3huj s GLU 255 N 0.00 4.38 -0.01 1.61 4.04 -1.26 -3.53 118.70 123.92 3huj s GLU 255 Ca 0.00 2.02 -0.01 0.00 0.04 0.00 0.00 54.97 57.02 3huj s GLU 255 Cb 0.00 -3.22 -0.04 0.00 0.02 0.00 0.00 34.13 30.89 3huj s GLU 255 CO 0.00 -0.29 0.08 0.00 -1.84 0.00 0.00 175.26 173.22 3huj s ALA 256 N 0.42 3.59 -0.26 -0.84 0.00 -1.26 -4.62 121.76 118.79 3huj s ALA 256 Ca 0.58 -0.85 -0.02 0.00 0.00 0.00 0.00 51.96 51.67 3huj s ALA 256 Cb -0.36 -1.60 0.01 0.00 0.00 0.00 0.00 23.12 21.17 3huj s ALA 256 CO 0.35 0.68 0.04 0.00 0.00 0.00 0.00 175.76 176.84 3huj n ALA 257 N 1.26 -3.49 -0.48 0.00 0.00 -1.23 -4.66 120.51 111.91 3huj n ALA 257 Ca -0.14 0.79 0.00 0.00 0.00 0.00 0.00 53.44 54.09 3huj n ALA 257 Cb 0.53 -1.56 0.00 0.00 0.00 0.00 0.00 19.45 18.42 3huj n ALA 257 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3huj n GLY 258 N 0.81 0.89 3.66 0.00 0.00 -1.25 -5.09 105.19 104.21 3huj n GLY 258 Ca -0.07 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.21 3huj n GLY 258 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3huj s LEU 259 N 0.00 3.43 -0.04 0.99 2.96 -1.26 -4.28 118.68 120.48 3huj s LEU 259 Ca 0.00 -0.07 -0.01 0.00 -0.22 0.00 0.00 54.13 53.83 3huj s LEU 259 Cb 0.00 -2.00 0.03 0.00 0.50 0.00 0.00 46.19 44.72 3huj s LEU 259 CO 0.00 0.26 0.07 -0.55 -1.32 0.00 0.00 176.35 174.81 3huj s SER 260 N -1.66 0.30 -0.04 3.68 0.15 0.39 -1.25 113.70 115.28 3huj s SER 260 Ca 0.20 0.12 -0.26 0.00 0.70 0.00 0.00 55.95 56.71 3huj s SER 260 Cb -0.11 -0.01 -0.03 0.00 -1.71 0.00 0.00 66.02 64.15 3huj s SER 260 CO 0.11 -0.17 0.81 0.00 1.20 0.00 0.00 173.24 175.20 3huj s ARG 262 N 0.89 3.21 -0.15 0.00 3.52 0.45 -2.17 118.95 124.70 3huj s ARG 262 Ca 0.43 -0.77 -0.00 0.00 -0.13 0.00 0.00 55.73 55.26 3huj s ARG 262 Cb -0.19 -2.54 -0.01 0.00 -1.56 0.00 0.00 34.95 30.65 3huj s ARG 262 CO 0.22 0.10 -0.13 0.08 -0.81 0.00 0.00 175.30 174.76 3huj s VAL 263 N 0.60 2.96 -0.17 7.11 1.01 -0.80 -1.60 120.40 129.52 3huj s VAL 263 Ca -0.10 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.21 3huj s VAL 263 Cb -0.16 -2.26 0.03 0.00 0.00 0.00 0.00 36.38 33.99 3huj s VAL 263 CO 0.03 0.51 -0.15 -0.54 0.00 0.00 0.00 175.10 174.95 3huj s LYS 264 N 0.61 2.49 0.25 2.72 1.02 0.21 -2.41 119.74 124.63 3huj s LYS 264 Ca -0.07 -0.72 0.01 0.00 0.02 0.00 0.00 55.97 55.21 3huj s LYS 264 Cb -0.16 -2.33 -0.04 0.00 -0.52 0.00 0.00 37.83 34.78 3huj s LYS 264 CO 0.03 -0.27 0.13 -1.58 -0.92 0.00 0.00 175.35 172.74 3huj s HIS 265 N 1.39 1.42 -1.28 3.18 2.46 -1.26 -0.66 115.29 120.54 3huj s HIS 265 Ca 0.04 -1.32 0.08 0.00 0.47 0.00 0.00 55.06 54.33 3huj s HIS 265 Cb -0.14 -0.75 0.33 0.00 -0.13 0.00 0.00 32.58 31.89 3huj s HIS 265 CO -0.11 -0.51 1.13 -1.13 -2.47 0.00 0.00 174.74 171.65 3huj n SER 266 N -0.54 2.47 0.08 9.88 3.41 -1.26 -4.42 113.62 123.23 3huj n SER 266 Ca 0.01 -2.22 -0.05 0.00 -0.26 0.00 0.00 58.87 56.36 3huj n SER 266 Cb 0.66 -0.42 -0.02 0.00 -0.26 0.00 0.00 64.21 64.17 3huj n SER 266 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 3huj h SER 267 N 1.81 -0.25 -1.97 4.04 0.02 -1.90 -3.41 113.55 111.89 3huj h SER 267 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3huj h SER 267 Cb 0.82 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.43 3huj h SER 267 CO 0.12 0.22 0.00 -0.11 -1.14 0.00 0.00 176.83 175.92 3huj n LEU 268 N -4.97 -1.31 -4.00 5.07 -0.00 -1.26 -4.88 117.00 105.65 3huj n LEU 268 Ca -0.04 0.00 -0.42 0.00 -0.00 0.00 0.00 56.01 55.55 3huj n LEU 268 Cb 0.12 -0.46 0.00 0.00 -0.00 0.00 0.00 43.42 43.08 3huj n LEU 268 CO 0.09 0.00 2.26 -0.62 -0.00 0.00 0.00 177.39 179.11 3huj n GLU 269 N -0.86 3.15 -0.80 1.96 4.71 -1.26 -4.35 120.64 123.20 3huj n GLU 269 Ca 0.00 -3.07 0.00 0.00 -0.01 0.00 0.00 57.16 54.08 3huj n GLU 269 Cb 0.33 -3.22 0.00 0.00 -1.01 0.00 0.00 31.44 27.54 3huj n GLU 269 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3huj n GLY 270 N 4.04 0.41 3.15 0.62 0.00 -1.26 -4.90 105.19 107.24 3huj n GLY 270 Ca 0.47 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 46.06 3huj n GLY 270 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3huj n GLN 271 N -1.72 3.40 -1.60 1.61 10.64 -1.26 -5.00 117.38 123.45 3huj n GLN 271 Ca 0.00 -3.51 -0.39 0.00 -1.83 0.00 0.00 57.00 51.27 3huj n GLN 271 Cb 0.07 -3.07 0.03 0.00 -0.86 0.00 0.00 30.24 26.41 3huj n GLN 271 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 3huj n ASP 272 N 5.27 0.82 -4.59 2.61 10.43 -1.26 -4.96 116.55 124.87 3huj n ASP 272 Ca 0.41 0.89 -0.42 0.00 2.57 0.00 0.00 54.79 58.25 3huj n ASP 272 Cb 0.40 -1.36 -0.06 0.00 1.84 0.00 0.00 41.12 41.94 3huj n ASP 272 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3huj s ILE 273 N -1.44 4.87 -0.11 0.53 1.01 -1.01 -4.95 121.20 120.10 3huj s ILE 273 Ca 0.70 0.86 -0.02 0.00 0.00 0.00 0.00 60.65 62.19 3huj s ILE 273 Cb -0.47 -4.07 -0.03 0.00 0.01 0.00 0.00 42.46 37.90 3huj s ILE 273 CO 0.52 -0.24 -0.05 -0.69 0.00 0.00 0.00 174.94 174.48 3huj s VAL 274 N 2.76 3.81 -0.06 2.92 1.01 -1.26 -1.90 120.40 127.68 3huj s VAL 274 Ca 0.27 -0.41 0.01 0.00 0.00 0.00 0.00 61.98 61.85 3huj s VAL 274 Cb -0.14 -2.62 0.02 0.00 0.00 0.00 0.00 36.38 33.64 3huj s VAL 274 CO 0.13 0.55 -0.05 -0.76 0.00 0.00 0.00 175.10 174.97 3huj s LEU 275 N -0.22 1.24 -0.09 3.92 1.43 -0.92 -5.03 118.68 119.01 3huj s LEU 275 Ca 0.03 -0.15 -0.04 0.00 -1.03 0.00 0.00 54.13 52.94 3huj s LEU 275 Cb -0.13 -0.52 -0.04 0.00 0.03 0.00 0.00 46.19 45.54 3huj s LEU 275 CO 0.02 -0.07 0.08 -0.31 0.23 0.00 0.00 176.35 176.31 3huj s TYR 276 N 1.11 3.40 -0.10 0.29 1.51 -1.26 -1.24 117.35 121.07 3huj s TYR 276 Ca -0.08 0.37 -0.23 0.00 -1.01 0.00 0.00 57.07 56.12 3huj s TYR 276 Cb -0.14 -1.86 -0.03 0.00 -0.11 0.00 0.00 41.96 39.82 3huj s TYR 276 CO -0.01 0.62 0.71 -0.46 -1.11 0.00 0.00 175.55 175.30 3huj s TRP 277 N -1.00 3.53 -0.33 2.71 -0.11 -0.38 0.03 118.94 123.39 3huj s TRP 277 Ca 0.16 1.20 -0.04 0.00 1.22 0.00 0.00 56.10 58.64 3huj s TRP 277 Cb -0.12 -2.83 0.05 0.00 -1.50 0.00 0.00 33.47 29.07 3huj s TRP 277 CO 0.05 0.01 0.06 -3.38 -4.62 0.00 0.00 176.95 169.07 3huj s HIS 278 N 1.12 3.29 -0.51 5.86 -3.43 -1.26 -3.93 115.29 116.44 3huj s HIS 278 Ca 0.36 -1.75 0.03 0.00 -0.80 0.00 0.00 55.06 52.90 3huj s HIS 278 Cb -0.17 -2.28 0.15 0.00 -1.43 0.00 0.00 32.58 28.85 3huj s HIS 278 CO 0.16 -0.79 0.33 -1.01 -2.00 0.00 0.00 174.74 171.43 3huj s HIS 279 N 1.30 2.27 0.00 0.38 3.76 0.10 -5.20 115.29 117.90 3huj s HIS 279 Ca -0.03 -2.68 0.00 0.00 -0.15 0.00 0.00 55.06 52.20 3huj s HIS 279 Cb -0.20 -1.94 0.00 0.00 1.11 0.00 0.00 32.58 31.55 3huj s HIS 279 CO 0.00 -0.73 0.00 -2.39 -0.85 0.00 0.00 174.74 170.77