#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hav n VAL 2 N 0.00 -1.02 -1.69 3.17 0.31 -1.26 -4.33 118.33 113.51 3hav n VAL 2 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 3hav n VAL 2 Cb 0.00 -1.43 -0.03 0.00 -0.91 0.00 0.00 33.84 31.47 3hav n VAL 2 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3hav s ASN 3 N 0.00 6.23 0.06 4.52 2.47 -1.26 -4.99 114.94 121.97 3hav s ASN 3 Ca 0.00 2.44 0.07 0.00 0.42 0.00 0.00 52.86 55.79 3hav s ASN 3 Cb 0.00 -2.53 -0.03 0.00 -1.45 0.00 0.00 41.25 37.25 3hav s ASN 3 CO 0.00 -1.26 -0.19 -0.22 -3.72 0.00 0.00 177.10 171.70 3hav s LEU 4 N 5.35 2.21 -0.08 3.21 0.20 -1.26 -5.09 118.68 123.22 3hav s LEU 4 Ca 0.90 -0.56 -0.36 0.00 0.69 0.00 0.00 54.13 54.80 3hav s LEU 4 Cb -0.39 -0.87 -0.14 0.00 -0.43 0.00 0.00 46.19 44.36 3hav s LEU 4 CO 0.39 0.10 1.75 -0.67 -0.29 0.00 0.00 176.35 177.63 3hav n ASP 5 N 1.62 2.95 -0.31 3.68 -0.08 -1.26 -4.82 116.55 118.33 3hav n ASP 5 Ca -0.18 1.03 0.09 0.00 -1.51 0.00 0.00 54.79 54.21 3hav n ASP 5 Cb 0.54 -1.30 0.25 0.00 2.34 0.00 0.00 41.12 42.94 3hav n ASP 5 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3hav h ALA 6 N 7.72 1.36 -0.26 -1.67 0.00 -1.99 -0.64 119.26 123.78 3hav h ALA 6 Ca -0.47 0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.39 3hav h ALA 6 Cb 1.29 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 3hav h ALA 6 CO 0.93 -0.09 -0.39 1.49 0.00 0.00 0.00 179.25 181.19 3hav h GLU 7 N 0.64 0.61 -0.20 0.00 4.81 -2.00 -1.46 114.58 116.98 3hav h GLU 7 Ca 0.49 -0.30 -0.05 0.00 -0.13 0.00 0.00 59.36 59.37 3hav h GLU 7 Cb 0.72 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.10 3hav h GLU 7 CO -0.37 0.89 -0.07 0.82 -0.73 0.00 0.00 179.01 179.55 3hav h ILE 8 N 0.50 1.30 -0.76 2.32 1.08 -1.55 -2.33 117.51 118.07 3hav h ILE 8 Ca 0.05 -1.09 0.07 0.00 -0.39 0.00 0.00 64.86 63.50 3hav h ILE 8 Cb 0.89 1.61 -0.06 0.00 -3.07 0.00 0.00 36.82 36.19 3hav h ILE 8 CO 0.08 0.33 0.43 0.22 -0.69 0.00 0.00 178.15 178.52 3hav h TYR 9 N 0.10 0.79 -0.38 1.37 3.20 -1.08 0.11 116.97 121.09 3hav h TYR 9 Ca 0.05 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.95 3hav h TYR 9 Cb 0.54 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 3hav h TYR 9 CO 0.06 0.36 0.25 1.49 -1.64 0.00 0.00 178.16 178.67 3hav h GLU 10 N 0.77 0.50 -0.00 1.82 4.81 -1.18 -1.48 114.58 119.82 3hav h GLU 10 Ca 0.35 -0.03 -0.15 0.00 -0.13 0.00 0.00 59.36 59.40 3hav h GLU 10 Cb 0.26 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 3hav h GLU 10 CO -0.21 0.34 -0.69 0.45 -0.73 0.00 0.00 179.01 178.16 3hav h HIS 11 N 0.51 0.00 -0.37 0.92 3.86 -0.90 -3.04 115.15 116.12 3hav h HIS 11 Ca 0.14 -0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.26 3hav h HIS 11 Cb -0.05 -0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.41 3hav h HIS 11 CO -0.05 0.69 -0.13 1.25 0.86 0.00 0.00 177.93 180.56 3hav h LEU 12 N 0.00 0.76 0.00 2.43 6.46 -0.64 -2.90 115.31 121.42 3hav h LEU 12 Ca -0.01 -0.38 0.00 0.00 -0.12 0.00 0.00 57.88 57.37 3hav h LEU 12 Cb 1.23 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.95 3hav h LEU 12 CO 0.09 0.97 0.00 -3.20 -0.62 0.00 0.00 178.44 175.68 3hav n ASN 13 N -4.34 0.00 -0.18 1.25 5.15 -0.57 -0.88 115.26 115.70 3hav n ASN 13 Ca -0.02 -0.10 0.12 0.00 -0.60 0.00 0.00 54.58 53.98 3hav n ASN 13 Cb 0.37 -0.15 0.16 0.00 -0.53 0.00 0.00 39.78 39.63 3hav n ASN 13 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 3hav n LYS 14 N -1.15 0.50 -0.03 1.20 5.02 -1.09 -4.15 118.16 118.45 3hav n LYS 14 Ca 0.07 -0.36 -0.02 0.00 -2.02 0.00 0.00 58.31 55.98 3hav n LYS 14 Cb 0.06 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.51 3hav n LYS 14 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 3hav n GLN 15 N -0.94 2.05 -3.80 1.97 1.13 -0.06 -5.01 117.38 112.74 3hav n GLN 15 Ca 0.08 -0.02 -0.13 0.00 -1.94 0.00 0.00 57.00 54.98 3hav n GLN 15 Cb 0.37 -1.22 -0.14 0.00 0.11 0.00 0.00 30.24 29.36 3hav n GLN 15 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3hav s ILE 16 N -2.31 -0.03 -0.69 5.09 1.01 -0.58 -5.09 121.20 118.61 3hav s ILE 16 Ca -0.04 0.10 -0.26 0.00 0.00 0.00 0.00 60.65 60.45 3hav s ILE 16 Cb 0.03 -0.17 -0.01 0.00 0.01 0.00 0.00 42.46 42.33 3hav s ILE 16 CO 0.36 0.04 1.72 -0.75 0.00 0.00 0.00 174.94 176.31 3hav s LYS 17 N 0.62 2.78 -0.05 2.79 2.20 -1.26 -3.92 119.74 122.91 3hav s LYS 17 Ca -0.05 0.25 -0.30 0.00 -0.36 0.00 0.00 55.97 55.52 3hav s LYS 17 Cb -0.07 -4.45 -0.05 0.00 -1.51 0.00 0.00 37.83 31.76 3hav s LYS 17 CO -0.03 -2.65 1.42 0.42 -0.36 0.00 0.00 175.35 174.15 3hav s ILE 18 N 8.28 3.82 -0.11 5.43 1.01 -1.26 -4.88 121.20 133.48 3hav s ILE 18 Ca 0.59 1.12 -0.05 0.00 0.00 0.00 0.00 60.65 62.32 3hav s ILE 18 Cb -0.10 -3.72 -0.05 0.00 0.01 0.00 0.00 42.46 38.59 3hav s ILE 18 CO 0.16 -0.04 -0.14 0.59 0.00 0.00 0.00 174.94 175.51 3hav n ASN 19 N 5.97 1.14 -4.21 3.58 3.02 -1.26 -5.06 115.26 118.43 3hav n ASN 19 Ca 0.14 0.11 -0.23 0.00 -0.03 0.00 0.00 54.58 54.57 3hav n ASN 19 Cb 0.44 -0.31 -0.13 0.00 -0.61 0.00 0.00 39.78 39.16 3hav n ASN 19 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3hav s GLU 20 N -2.21 1.16 -0.06 3.52 8.01 -1.26 -4.98 118.70 122.88 3hav s GLU 20 Ca -0.16 -0.91 -0.01 0.00 0.01 0.00 0.00 54.97 53.90 3hav s GLU 20 Cb 0.06 -1.26 0.03 0.00 -4.31 0.00 0.00 34.13 28.65 3hav s GLU 20 CO 0.21 0.31 0.00 -0.51 0.01 0.00 0.00 175.26 175.28 3hav s LEU 21 N -1.30 0.74 0.02 1.80 1.43 -1.26 -1.07 118.68 119.03 3hav s LEU 21 Ca 0.05 -0.07 0.08 0.00 -1.03 0.00 0.00 54.13 53.16 3hav s LEU 21 Cb -0.09 -0.38 -0.02 0.00 0.03 0.00 0.00 46.19 45.73 3hav s LEU 21 CO 0.02 -0.17 -0.23 -0.13 0.23 0.00 0.00 176.35 176.07 3hav s ARG 22 N 1.70 1.70 0.17 1.70 0.52 -0.29 -4.59 118.95 119.86 3hav s ARG 22 Ca 0.01 -0.95 -0.30 0.00 -0.52 0.00 0.00 55.73 53.97 3hav s ARG 22 Cb -0.13 -1.76 -0.08 0.00 0.52 0.00 0.00 34.95 33.50 3hav s ARG 22 CO -0.04 0.47 1.14 0.71 0.02 0.00 0.00 175.30 177.60 3hav s TYR 23 N -0.70 3.53 -0.20 -0.53 1.51 -1.26 0.67 117.35 120.37 3hav s TYR 23 Ca 0.09 1.52 0.10 0.00 -1.01 0.00 0.00 57.07 57.78 3hav s TYR 23 Cb -0.09 -3.33 -0.19 0.00 -0.11 0.00 0.00 41.96 38.23 3hav s TYR 23 CO 0.01 -0.84 -0.04 1.28 -1.11 0.00 0.00 175.55 174.84 3hav n LEU 24 N 2.54 1.21 -3.57 -1.29 4.77 0.26 -4.81 117.00 116.12 3hav n LEU 24 Ca 0.04 -0.05 -0.06 0.00 -0.03 0.00 0.00 56.01 55.91 3hav n LEU 24 Cb 0.46 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.46 3hav n LEU 24 CO 0.55 0.62 0.89 -0.94 -1.33 0.00 0.00 177.39 177.17 3hav s SER 25 N -5.59 -0.23 -0.00 -1.43 1.04 -1.01 -4.96 113.70 101.52 3hav s SER 25 Ca -0.18 0.05 -0.01 0.00 0.48 0.00 0.00 55.95 56.29 3hav s SER 25 Cb 0.06 0.23 -0.00 0.00 0.10 0.00 0.00 66.02 66.41 3hav s SER 25 CO 0.64 -0.36 0.01 -0.44 0.98 0.00 0.00 173.24 174.08 3hav s SER 26 N -2.09 0.05 0.06 7.02 0.01 -1.26 -0.60 113.70 116.89 3hav s SER 26 Ca 0.07 -0.11 -0.00 0.00 1.31 0.00 0.00 55.95 57.21 3hav s SER 26 Cb -0.01 0.06 0.00 0.00 0.21 0.00 0.00 66.02 66.29 3hav s SER 26 CO -0.06 -0.10 0.09 0.61 0.41 0.00 0.00 173.24 174.19 3hav n GLY 27 N 2.62 2.94 0.15 3.44 0.00 0.02 -5.01 105.19 109.35 3hav n GLY 27 Ca -0.16 -1.41 -0.06 0.00 0.00 0.00 0.00 46.02 44.39 3hav n GLY 27 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3hav h ASP 28 N 0.34 0.26 0.24 1.61 3.45 -2.03 -3.34 116.42 116.96 3hav h ASP 28 Ca -0.05 -0.17 -0.33 0.00 0.43 0.00 0.00 57.03 56.90 3hav h ASP 28 Cb 0.21 -0.08 0.03 0.00 -0.56 0.00 0.00 39.33 38.93 3hav h ASP 28 CO 0.06 0.89 -1.51 -2.24 -1.57 0.00 0.00 179.24 174.87 3hav h ASP 29 N 0.15 0.78 -2.54 6.45 3.04 -1.96 -3.46 116.42 118.89 3hav h ASP 29 Ca -0.02 -0.93 0.07 0.00 -3.24 0.00 0.00 57.03 52.92 3hav h ASP 29 Cb 1.26 -0.26 -0.01 0.00 -1.04 0.00 0.00 39.33 39.29 3hav h ASP 29 CO 0.11 1.72 0.42 -1.54 -2.04 0.00 0.00 179.24 177.90 3hav n SER 30 N -3.72 -1.78 -4.12 4.15 3.41 -1.25 -0.91 113.62 109.39 3hav n SER 30 Ca -0.19 -2.08 -0.16 0.00 -0.26 0.00 0.00 58.87 56.18 3hav n SER 30 Cb 1.09 2.93 -0.12 0.00 -0.26 0.00 0.00 64.21 67.85 3hav n SER 30 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3hav s ASP 31 N -3.07 1.34 -0.11 4.04 1.01 -0.78 -0.80 116.67 118.30 3hav s ASP 31 Ca 0.18 -0.57 0.02 0.00 0.71 0.00 0.00 52.55 52.89 3hav s ASP 31 Cb -0.03 -0.02 0.02 0.00 1.01 0.00 0.00 42.92 43.89 3hav s ASP 31 CO 0.07 -0.12 -0.15 -0.89 0.21 0.00 0.00 175.17 174.30 3hav s THR 32 N -1.26 1.48 0.22 -1.27 2.01 0.23 -0.06 115.64 116.98 3hav s THR 32 Ca -0.05 -0.63 0.07 0.00 0.31 0.00 0.00 61.69 61.40 3hav s THR 32 Cb -0.10 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 71.02 3hav s THR 32 CO 0.01 0.44 0.10 -0.36 -0.69 0.00 0.00 174.62 174.13 3hav s PHE 33 N 1.03 2.99 -0.26 4.92 0.40 0.56 0.91 117.98 128.52 3hav s PHE 33 Ca -0.06 -0.11 -0.04 0.00 -0.60 0.00 0.00 56.93 56.12 3hav s PHE 33 Cb -0.15 -1.39 0.01 0.00 0.51 0.00 0.00 43.02 42.01 3hav s PHE 33 CO -0.02 0.54 -0.00 -1.17 0.70 0.00 0.00 175.22 175.26 3hav s LEU 34 N -3.44 3.40 -0.20 -0.37 0.20 0.21 -0.56 118.68 117.92 3hav s LEU 34 Ca 0.31 -0.74 -0.07 0.00 0.69 0.00 0.00 54.13 54.32 3hav s LEU 34 Cb -0.08 -1.76 -0.04 0.00 -0.43 0.00 0.00 46.19 43.88 3hav s LEU 34 CO 0.22 -0.14 0.06 0.00 -0.29 0.00 0.00 176.35 176.21 3hav n ASN 36 N 4.00 -4.05 -0.37 0.00 4.13 -0.24 -0.87 115.26 117.87 3hav n ASN 36 Ca -0.16 0.37 -0.05 0.00 1.68 0.00 0.00 54.58 56.42 3hav n ASN 36 Cb 0.52 -3.70 -0.02 0.00 -1.54 0.00 0.00 39.78 35.04 3hav n ASN 36 CO 0.00 0.00 0.00 -0.62 0.28 0.00 0.00 177.26 176.92 3hav n GLU 37 N -2.05 -1.62 0.00 3.52 -0.58 -1.26 -4.73 120.64 113.92 3hav n GLU 37 Ca -0.15 0.62 0.00 0.00 -0.42 0.00 0.00 57.16 57.21 3hav n GLU 37 Cb 0.51 -4.92 0.00 0.00 -0.57 0.00 0.00 31.44 26.46 3hav n GLU 37 CO 0.00 0.00 0.00 1.04 -0.48 0.00 0.00 177.13 177.69 3hav n GLN 38 N -0.28 3.11 -4.64 3.49 6.02 -0.05 -4.87 117.38 120.16 3hav n GLN 38 Ca -0.05 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.69 3hav n GLN 38 Cb 0.48 -0.60 -0.16 0.00 1.02 0.00 0.00 30.24 30.98 3hav n GLN 38 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 3hav s TYR 39 N -0.91 1.52 -0.24 1.08 1.51 -0.42 0.26 117.35 120.15 3hav s TYR 39 Ca 0.00 -0.55 -0.14 0.00 -1.01 0.00 0.00 57.07 55.38 3hav s TYR 39 Cb 0.00 -1.09 -0.04 0.00 -0.11 0.00 0.00 41.96 40.71 3hav s TYR 39 CO 0.00 -0.27 0.31 0.08 -1.11 0.00 0.00 175.55 174.57 3hav s VAL 40 N 0.56 5.24 -0.29 0.71 1.01 0.48 0.39 120.40 128.49 3hav s VAL 40 Ca -0.13 0.48 -0.01 0.00 0.00 0.00 0.00 61.98 62.31 3hav s VAL 40 Cb -0.15 -3.64 0.05 0.00 0.00 0.00 0.00 36.38 32.63 3hav s VAL 40 CO 0.04 0.24 -0.01 -0.69 0.00 0.00 0.00 175.10 174.67 3hav s VAL 41 N 1.59 2.94 -0.21 2.92 1.01 0.28 -1.62 120.40 127.30 3hav s VAL 41 Ca 0.14 -1.37 -0.15 0.00 0.00 0.00 0.00 61.98 60.59 3hav s VAL 41 Cb -0.15 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.51 3hav s VAL 41 CO 0.08 -0.08 0.38 -0.54 0.00 0.00 0.00 175.10 174.94 3hav s LYS 42 N 1.25 4.16 -0.48 2.72 1.02 0.26 -0.33 119.74 128.33 3hav s LYS 42 Ca -0.05 0.16 0.03 0.00 0.02 0.00 0.00 55.97 56.13 3hav s LYS 42 Cb -0.20 -3.54 0.13 0.00 -0.52 0.00 0.00 37.83 33.70 3hav s LYS 42 CO -0.01 -0.04 0.23 0.08 -0.92 0.00 0.00 175.35 174.68 3hav s VAL 43 N 1.33 2.64 0.70 3.17 1.01 0.92 -0.81 120.40 129.35 3hav s VAL 43 Ca 0.18 -3.04 -0.15 0.00 0.00 0.00 0.00 61.98 58.97 3hav s VAL 43 Cb -0.15 -2.84 0.02 0.00 0.00 0.00 0.00 36.38 33.41 3hav s VAL 43 CO 0.08 -0.76 1.16 -2.16 0.00 0.00 0.00 175.10 173.42 3hav s PRO 44 N 0.04 2.42 -0.00 2.72 0.04 -1.26 -1.87 135.00 137.09 3hav s PRO 44 Ca 0.15 1.58 0.00 0.00 0.04 0.00 0.00 61.00 62.77 3hav s PRO 44 Cb -0.24 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.42 3hav s PRO 44 CO -0.02 -1.58 0.60 0.36 0.04 0.00 0.00 177.00 176.40 3hav n LYS 45 N -2.61 0.29 -4.29 4.56 2.85 -0.09 -4.92 118.16 113.95 3hav n LYS 45 Ca 0.12 -0.66 -0.18 0.00 -1.05 0.00 0.00 58.31 56.54 3hav n LYS 45 Cb 0.51 -0.56 -0.14 0.00 -0.65 0.00 0.00 35.03 34.19 3hav n LYS 45 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 177.40 178.38 3hav s ARG 46 N -0.12 0.64 0.43 -1.58 0.52 -1.24 -5.04 118.95 112.55 3hav s ARG 46 Ca 0.00 -0.32 0.09 0.00 -0.52 0.00 0.00 55.73 54.98 3hav s ARG 46 Cb 0.00 -0.61 0.93 0.00 0.52 0.00 0.00 34.95 35.80 3hav s ARG 46 CO 0.00 0.16 2.05 -0.44 0.02 0.00 0.00 175.30 177.10 3hav h ASP 47 N 5.83 0.32 -0.03 0.23 3.45 -1.96 0.19 116.42 124.45 3hav h ASP 47 Ca -0.30 -0.02 -0.03 0.00 0.43 0.00 0.00 57.03 57.10 3hav h ASP 47 Cb 1.18 -0.08 -0.01 0.00 -0.56 0.00 0.00 39.33 39.86 3hav h ASP 47 CO 0.49 0.28 -0.06 0.77 -1.57 0.00 0.00 179.24 179.15 3hav h SER 48 N 0.37 0.21 0.13 6.45 4.64 -1.98 0.34 113.55 123.72 3hav h SER 48 Ca 0.10 -0.03 -0.23 0.00 -0.47 0.00 0.00 61.79 61.15 3hav h SER 48 Cb 0.03 -0.05 0.03 0.00 -0.31 0.00 0.00 62.40 62.09 3hav h SER 48 CO -0.01 0.31 -1.00 0.58 -0.87 0.00 0.00 176.83 175.84 3hav h VAL 49 N 0.22 1.40 -0.18 0.95 2.07 -1.44 -2.17 116.25 117.11 3hav h VAL 49 Ca 0.05 -2.47 0.05 0.00 0.82 0.00 0.00 66.70 65.15 3hav h VAL 49 Cb 0.26 2.96 -0.07 0.00 -1.52 0.00 0.00 31.29 32.92 3hav h VAL 49 CO 0.01 0.72 -0.33 -0.09 0.02 0.00 0.00 177.57 177.90 3hav h ARG 50 N -0.08 -0.36 -0.69 1.57 9.65 -0.13 0.19 114.38 124.52 3hav h ARG 50 Ca -0.16 0.02 0.05 0.00 -1.10 0.00 0.00 59.98 58.79 3hav h ARG 50 Cb 1.75 0.08 -0.05 0.00 -1.39 0.00 0.00 29.97 30.36 3hav h ARG 50 CO 0.19 -0.24 0.41 0.82 2.80 0.00 0.00 179.97 183.95 3hav h ILE 51 N -0.38 1.02 -0.50 1.20 2.04 -0.42 0.04 117.51 120.51 3hav h ILE 51 Ca 0.11 -0.26 -0.06 0.00 1.00 0.00 0.00 64.86 65.65 3hav h ILE 51 Cb 0.55 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 3hav h ILE 51 CO -0.39 0.14 0.09 -1.28 0.00 0.00 0.00 178.15 176.71 3hav h SER 52 N 0.77 0.78 -0.41 1.72 0.87 -0.68 -2.35 113.55 114.25 3hav h SER 52 Ca 0.30 -0.25 -0.10 0.00 -1.23 0.00 0.00 61.79 60.50 3hav h SER 52 Cb 0.12 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 3hav h SER 52 CO -0.15 0.83 -0.14 1.56 -0.53 0.00 0.00 176.83 178.40 3hav h GLN 53 N 0.70 0.83 -0.89 2.24 4.20 -0.31 -1.53 115.11 120.35 3hav h GLN 53 Ca 0.15 -0.34 0.09 0.00 0.06 0.00 0.00 58.65 58.62 3hav h GLN 53 Cb 0.37 -0.04 -0.06 0.00 0.30 0.00 0.00 27.48 28.05 3hav h GLN 53 CO 0.01 0.96 0.57 -0.22 -0.67 0.00 0.00 178.83 179.49 3hav h LYS 54 N 0.64 0.87 -0.12 1.46 3.64 -0.88 0.13 116.57 122.31 3hav h LYS 54 Ca 0.10 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.38 3hav h LYS 54 Cb 0.68 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.31 3hav h LYS 54 CO 0.05 0.58 -0.13 -0.09 -2.27 0.00 0.00 179.45 177.59 3hav h ARG 55 N 0.90 0.31 -0.86 1.90 2.43 -1.17 -1.99 114.38 115.89 3hav h ARG 55 Ca 0.41 -0.16 0.02 0.00 -0.81 0.00 0.00 59.98 59.43 3hav h ARG 55 Cb 0.38 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.89 3hav h ARG 55 CO -0.17 0.71 0.57 1.49 -1.51 0.00 0.00 179.97 181.05 3hav h GLU 56 N -0.08 1.11 0.01 0.20 4.81 -0.46 -2.20 114.58 117.97 3hav h GLU 56 Ca 0.02 -0.07 -0.21 0.00 -0.13 0.00 0.00 59.36 58.98 3hav h GLU 56 Cb 0.65 -0.25 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 3hav h GLU 56 CO 0.03 0.73 -0.91 0.74 -0.73 0.00 0.00 179.01 178.88 3hav h PHE 57 N 1.14 0.37 -0.39 0.92 -1.00 -1.03 -2.52 116.94 114.43 3hav h PHE 57 Ca 0.32 -0.21 0.03 0.00 2.81 0.00 0.00 57.97 60.92 3hav h PHE 57 Cb -0.09 -0.04 -0.02 0.00 3.61 0.00 0.00 35.95 39.41 3hav h PHE 57 CO -0.01 1.03 0.26 0.93 -1.61 0.00 0.00 178.31 178.90 3hav h GLU 58 N 0.13 0.41 -0.28 1.51 5.08 -1.09 -0.77 114.58 119.58 3hav h GLU 58 Ca -0.06 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.17 3hav h GLU 58 Cb 1.55 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 30.70 3hav h GLU 58 CO 0.14 0.27 -0.28 1.25 -1.00 0.00 0.00 179.01 179.40 3hav h LEU 59 N 0.42 0.72 -1.22 1.33 5.85 -1.15 -1.80 115.31 119.46 3hav h LEU 59 Ca 0.16 -0.47 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 3hav h LEU 59 Cb 0.10 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 3hav h LEU 59 CO -0.04 1.05 0.46 1.88 -0.34 0.00 0.00 178.44 181.45 3hav h TYR 60 N 0.41 0.95 -0.61 1.25 0.99 -0.95 0.26 116.97 119.27 3hav h TYR 60 Ca 0.04 0.01 -0.10 0.00 2.00 0.00 0.00 58.73 60.68 3hav h TYR 60 Cb 0.84 -0.32 -0.02 0.00 1.00 0.00 0.00 36.73 38.24 3hav h TYR 60 CO 0.07 0.62 -0.00 0.00 -0.00 0.00 0.00 178.16 178.85 3hav h ARG 61 N 1.01 1.07 -0.71 4.88 2.47 -1.06 -2.45 114.38 119.59 3hav h ARG 61 Ca 0.27 -0.34 -0.06 0.00 -1.26 0.00 0.00 59.98 58.59 3hav h ARG 61 Cb -0.07 -0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.13 3hav h ARG 61 CO -0.05 1.04 0.22 0.35 0.56 0.00 0.00 179.97 182.09 3hav h PHE 62 N 0.97 1.15 0.00 3.04 3.57 -0.43 -2.54 116.94 122.71 3hav h PHE 62 Ca 0.17 -0.12 0.00 0.00 3.53 0.00 0.00 57.97 61.55 3hav h PHE 62 Cb 0.56 -0.33 0.00 0.00 2.79 0.00 0.00 35.95 38.97 3hav h PHE 62 CO 0.04 0.92 0.00 1.28 -2.23 0.00 0.00 178.31 178.31 3hav n LEU 63 N -4.29 0.48 -0.24 0.59 4.32 0.84 -3.28 117.00 115.42 3hav n LEU 63 Ca 0.05 0.63 0.05 0.00 -0.02 0.00 0.00 56.01 56.72 3hav n LEU 63 Cb 0.23 -0.58 0.17 0.00 -1.62 0.00 0.00 43.42 41.62 3hav n LEU 63 CO 0.41 -0.53 0.95 -0.33 -1.22 0.00 0.00 177.39 176.68 3hav h GLU 64 N 0.00 0.31 -0.82 3.23 5.08 -0.99 -2.89 114.58 118.49 3hav h GLU 64 Ca 0.00 -0.02 -0.58 0.00 -1.00 0.00 0.00 59.36 57.76 3hav h GLU 64 Cb 0.29 -0.07 -0.37 0.00 0.50 0.00 0.00 28.75 29.10 3hav h GLU 64 CO 0.00 0.20 -0.19 0.27 -1.00 0.00 0.00 179.01 178.29 3hav n ASN 65 N -5.11 5.83 -0.08 1.42 6.94 -1.21 -4.50 115.26 118.55 3hav n ASN 65 Ca 0.13 -3.77 0.04 0.00 -0.02 0.00 0.00 54.58 50.97 3hav n ASN 65 Cb 0.43 -0.58 -0.03 0.00 -2.36 0.00 0.00 39.78 37.23 3hav n ASN 65 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3hav n LYS 67 N -0.88 -4.06 -4.67 0.00 5.02 -1.26 -5.05 118.16 107.26 3hav n LYS 67 Ca 0.03 3.02 -0.24 0.00 -2.02 0.00 0.00 58.31 59.10 3hav n LYS 67 Cb 0.16 -4.03 -0.15 0.00 -0.02 0.00 0.00 35.03 31.00 3hav n LYS 67 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3hav s LEU 68 N -0.50 2.10 0.60 -0.35 1.43 -1.26 -5.01 118.68 115.68 3hav s LEU 68 Ca -0.11 -0.39 0.35 0.00 -1.03 0.00 0.00 54.13 52.94 3hav s LEU 68 Cb 0.01 -0.84 1.89 0.00 0.03 0.00 0.00 46.19 47.28 3hav s LEU 68 CO 0.30 0.16 2.22 0.28 0.23 0.00 0.00 176.35 179.54 3hav h SER 69 N 5.33 0.00 -3.92 2.29 0.02 -1.96 -3.43 113.55 111.88 3hav h SER 69 Ca -0.38 0.00 -0.57 0.00 -0.84 0.00 0.00 61.79 60.00 3hav h SER 69 Cb 1.16 0.00 -0.20 0.00 0.14 0.00 0.00 62.40 63.49 3hav h SER 69 CO 0.46 0.03 -0.82 -0.31 -1.14 0.00 0.00 176.83 175.06 3hav s TYR 70 N -4.24 1.88 0.44 3.45 1.51 -1.26 -5.09 117.35 114.04 3hav s TYR 70 Ca -0.04 -0.43 -0.24 0.00 -1.01 0.00 0.00 57.07 55.36 3hav s TYR 70 Cb 0.13 -0.99 -0.08 0.00 -0.11 0.00 0.00 41.96 40.91 3hav s TYR 70 CO 0.51 0.27 1.16 -0.65 -1.11 0.00 0.00 175.55 175.73 3hav s GLN 71 N -2.22 3.85 0.24 -0.62 -0.21 -0.74 -4.89 119.66 115.08 3hav s GLN 71 Ca 0.11 1.78 0.03 0.00 0.02 0.00 0.00 55.36 57.30 3hav s GLN 71 Cb -0.09 -2.48 -0.05 0.00 1.00 0.00 0.00 33.01 31.39 3hav s GLN 71 CO 0.05 -0.47 0.03 0.96 -2.12 0.00 0.00 175.29 173.74 3hav s ILE 72 N -1.51 0.93 -0.30 1.08 -5.25 -1.26 -1.32 121.20 113.55 3hav s ILE 72 Ca 0.62 -2.02 -0.41 0.00 -0.99 0.00 0.00 60.65 57.85 3hav s ILE 72 Cb -0.29 -2.45 -0.16 0.00 2.95 0.00 0.00 42.46 42.51 3hav s ILE 72 CO 0.35 -0.23 1.74 -2.65 -1.79 0.00 0.00 174.94 172.36 3hav n PRO 73 N -0.45 1.04 -3.49 0.37 -0.02 -1.26 -4.96 135.00 126.24 3hav n PRO 73 Ca -0.04 0.38 -0.37 0.00 -2.02 0.00 0.00 63.50 61.46 3hav n PRO 73 Cb 0.65 -2.05 -0.07 0.00 -0.02 0.00 0.00 33.50 32.01 3hav n PRO 73 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hav s ALA 74 N 3.52 3.57 0.06 3.55 0.00 -1.26 -4.84 121.76 126.36 3hav s ALA 74 Ca 0.99 -0.41 -0.24 0.00 0.00 0.00 0.00 51.96 52.30 3hav s ALA 74 Cb -1.11 -2.45 -0.06 0.00 0.00 0.00 0.00 23.12 19.50 3hav s ALA 74 CO 0.68 0.06 0.73 0.08 0.00 0.00 0.00 175.76 177.30 3hav s VAL 75 N 0.54 4.69 -0.02 0.00 1.01 -1.26 -1.07 120.40 124.29 3hav s VAL 75 Ca 0.18 1.55 0.04 0.00 0.00 0.00 0.00 61.98 63.76 3hav s VAL 75 Cb -0.13 -4.07 -0.06 0.00 0.00 0.00 0.00 36.38 32.11 3hav s VAL 75 CO 0.05 0.41 0.09 1.33 0.00 0.00 0.00 175.10 176.99 3hav n VAL 76 N 2.50 0.00 -3.64 2.92 0.24 -0.65 -4.93 118.33 114.77 3hav n VAL 76 Ca -0.04 -0.12 -0.08 0.00 -2.04 0.00 0.00 64.34 62.06 3hav n VAL 76 Cb 0.50 0.45 -0.07 0.00 -1.47 0.00 0.00 33.84 33.25 3hav n VAL 76 CO 0.00 0.00 0.00 -0.47 -2.14 0.00 0.00 176.83 174.22 3hav s TYR 77 N -2.21 -0.62 -0.12 6.34 5.04 -1.14 -4.98 117.35 119.66 3hav s TYR 77 Ca -0.01 1.39 0.00 0.00 -2.44 0.00 0.00 57.07 56.01 3hav s TYR 77 Cb 0.03 0.38 0.02 0.00 0.35 0.00 0.00 41.96 42.74 3hav s TYR 77 CO 0.17 -0.30 -0.12 -0.65 -1.34 0.00 0.00 175.55 173.31 3hav s GLN 78 N 0.72 1.97 0.33 4.97 -0.21 -1.26 -0.93 119.66 125.25 3hav s GLN 78 Ca -0.02 -0.44 -0.04 0.00 0.02 0.00 0.00 55.36 54.88 3hav s GLN 78 Cb -0.05 -1.83 0.01 0.00 1.00 0.00 0.00 33.01 32.15 3hav s GLN 78 CO -0.09 -0.19 0.50 -1.13 -2.12 0.00 0.00 175.29 172.25 3hav n SER 79 N 4.64 -1.39 0.04 5.90 3.41 -1.00 -5.04 113.62 120.18 3hav n SER 79 Ca -0.16 -2.72 0.11 0.00 -0.26 0.00 0.00 58.87 55.85 3hav n SER 79 Cb 0.50 2.54 0.07 0.00 -0.26 0.00 0.00 64.21 67.06 3hav n SER 79 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3hav n ASP 80 N -1.63 0.64 0.02 4.04 8.00 -1.26 -3.99 116.55 122.36 3hav n ASP 80 Ca -0.01 -0.08 -0.03 0.00 0.71 0.00 0.00 54.79 55.38 3hav n ASP 80 Cb 0.55 0.59 -0.10 0.00 -0.02 0.00 0.00 41.12 42.14 3hav n ASP 80 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 3hav n ARG 81 N -2.03 0.62 -3.57 -1.24 1.85 -1.26 -4.81 116.66 106.22 3hav n ARG 81 Ca 0.02 0.24 -0.08 0.00 -1.00 0.00 0.00 57.85 57.04 3hav n ARG 81 Cb 0.44 -1.80 -0.04 0.00 -1.05 0.00 0.00 32.46 30.01 3hav n ARG 81 CO 0.00 0.00 0.00 -0.59 -0.01 0.00 0.00 177.63 177.03 3hav s PHE 82 N -2.83 -0.27 -0.04 2.89 -0.12 -1.26 -4.33 117.98 112.02 3hav s PHE 82 Ca -0.03 0.35 0.06 0.00 -0.05 0.00 0.00 56.93 57.26 3hav s PHE 82 Cb 0.08 0.49 -0.01 0.00 -0.63 0.00 0.00 43.02 42.95 3hav s PHE 82 CO 0.82 -0.32 -0.23 -0.80 -0.05 0.00 0.00 175.22 174.63 3hav s ASN 83 N -1.63 2.83 -0.05 1.98 0.01 0.01 -2.36 114.94 115.73 3hav s ASN 83 Ca 0.03 -0.46 0.06 0.00 -0.71 0.00 0.00 52.86 51.79 3hav s ASN 83 Cb -0.01 -0.62 -0.01 0.00 0.41 0.00 0.00 41.25 41.02 3hav s ASN 83 CO -0.03 0.25 -0.24 -0.63 -1.51 0.00 0.00 177.10 174.93 3hav s ILE 84 N -0.26 1.96 0.18 0.60 1.01 -0.10 -0.58 121.20 124.01 3hav s ILE 84 Ca 0.01 -1.02 0.04 0.00 0.00 0.00 0.00 60.65 59.68 3hav s ILE 84 Cb -0.12 -1.65 -0.05 0.00 0.01 0.00 0.00 42.46 40.65 3hav s ILE 84 CO 0.02 0.55 -0.06 0.00 0.00 0.00 0.00 174.94 175.44 3hav s MET 85 N -0.20 1.19 0.39 2.79 0.23 -0.64 -1.64 119.30 121.42 3hav s MET 85 Ca -0.02 -1.55 -0.24 0.00 -1.03 0.00 0.00 55.69 52.85 3hav s MET 85 Cb -0.13 -0.65 -0.09 0.00 -1.53 0.00 0.00 34.83 32.43 3hav s MET 85 CO 0.03 0.01 1.02 0.15 -2.03 0.00 0.00 175.02 174.20 3hav s LYS 86 N -3.79 4.23 -0.32 3.16 1.02 -0.23 -0.39 119.74 123.42 3hav s LYS 86 Ca 0.22 1.44 -0.25 0.00 0.02 0.00 0.00 55.97 57.39 3hav s LYS 86 Cb 0.04 -2.54 0.01 0.00 -0.52 0.00 0.00 37.83 34.82 3hav s LYS 86 CO 0.04 -0.06 0.88 -0.47 -0.92 0.00 0.00 175.35 174.82 3hav s TYR 87 N -1.71 3.17 -0.58 3.18 5.04 0.14 -4.65 117.35 121.93 3hav s TYR 87 Ca 0.57 0.90 -0.22 0.00 -2.44 0.00 0.00 57.07 55.88 3hav s TYR 87 Cb -0.20 -3.41 0.06 0.00 0.35 0.00 0.00 41.96 38.76 3hav s TYR 87 CO 0.25 -0.66 0.87 0.42 -1.34 0.00 0.00 175.55 175.09 3hav s ILE 88 N 3.22 4.49 0.11 3.14 1.01 -1.26 -4.90 121.20 127.01 3hav s ILE 88 Ca 0.37 -0.18 -0.26 0.00 0.00 0.00 0.00 60.65 60.57 3hav s ILE 88 Cb -0.13 -4.54 -0.07 0.00 0.01 0.00 0.00 42.46 37.73 3hav s ILE 88 CO 0.14 -1.17 0.82 -0.75 0.00 0.00 0.00 174.94 173.98 3hav s LYS 89 N 3.64 4.59 0.00 2.79 2.20 -1.26 -4.98 119.74 126.72 3hav s LYS 89 Ca 0.23 1.21 0.00 0.00 -0.36 0.00 0.00 55.97 57.05 3hav s LYS 89 Cb -0.16 -3.33 0.00 0.00 -1.51 0.00 0.00 37.83 32.83 3hav s LYS 89 CO 0.14 0.38 0.00 0.41 -0.36 0.00 0.00 175.35 175.92 3hav n GLY 90 N 2.04 1.75 3.36 5.54 0.00 -1.26 -4.93 105.19 111.69 3hav n GLY 90 Ca -0.02 -0.37 -0.09 0.00 0.00 0.00 0.00 46.02 45.53 3hav n GLY 90 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3hav s GLU 91 N 1.86 0.46 0.00 1.61 1.03 -0.10 -4.89 118.70 118.68 3hav s GLU 91 Ca 0.00 0.92 0.00 0.00 0.03 0.00 0.00 54.97 55.92 3hav s GLU 91 Cb 0.00 0.05 0.00 0.00 -0.80 0.00 0.00 34.13 33.38 3hav s GLU 91 CO 0.00 -0.16 0.00 -2.13 -1.33 0.00 0.00 175.26 171.64 3hav n ARG 92 N 4.37 0.00 -2.66 -4.83 0.63 -1.26 -3.81 116.66 109.09 3hav n ARG 92 Ca -0.21 0.00 -0.01 0.00 -0.92 0.00 0.00 57.85 56.70 3hav n ARG 92 Cb 0.56 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.47 3hav n ARG 92 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 3hav n ILE 93 N 0.00-11.37 -2.75 5.15 5.41 -1.26 -4.79 119.36 109.76 3hav n ILE 93 Ca 0.00 1.62 -0.20 0.00 1.00 0.00 0.00 62.75 65.17 3hav n ILE 93 Cb 0.00 -6.83 0.04 0.00 -0.71 0.00 0.00 39.64 32.14 3hav n ILE 93 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 3hav s THR 94 N -1.68 2.67 0.17 1.39 -1.32 -1.26 -4.93 115.64 110.68 3hav s THR 94 Ca 0.03 -0.76 -0.18 0.00 -1.21 0.00 0.00 61.69 59.57 3hav s THR 94 Cb -0.01 -2.91 0.11 0.00 -1.51 0.00 0.00 72.50 68.18 3hav s THR 94 CO 0.74 0.00 1.64 0.22 -2.21 0.00 0.00 174.62 175.01 3hav h TYR 95 N 0.16 -0.39 0.28 9.09 5.03 -1.81 -1.38 116.97 127.95 3hav h TYR 95 Ca -0.40 0.04 -0.01 0.00 2.58 0.00 0.00 58.73 60.94 3hav h TYR 95 Cb 1.29 0.24 0.00 0.00 1.55 0.00 0.00 36.73 39.81 3hav h TYR 95 CO 0.33 -0.24 -0.13 0.93 -1.32 0.00 0.00 178.16 177.72 3hav h GLU 96 N -0.07 -0.36 0.00 1.82 5.08 -1.92 -2.69 114.58 116.44 3hav h GLU 96 Ca 0.20 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 3hav h GLU 96 Cb 0.39 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.72 3hav h GLU 96 CO -0.47 -0.13 0.00 0.00 -1.00 0.00 0.00 179.01 177.40 3hav n GLN 97 N -5.18 0.11 -0.03 2.33 10.64 -1.18 -1.68 117.38 122.38 3hav n GLN 97 Ca -0.10 0.29 -0.16 0.00 -1.83 0.00 0.00 57.00 55.20 3hav n GLN 97 Cb 0.21 -1.69 -0.08 0.00 -0.86 0.00 0.00 30.24 27.83 3hav n GLN 97 CO 0.00 0.00 0.00 -0.92 -1.83 0.00 0.00 177.06 174.31 3hav h TYR 98 N 0.00 0.77 -0.00 2.61 3.20 -1.02 -3.03 116.97 119.51 3hav h TYR 98 Ca 0.00 -0.33 -0.00 0.00 3.14 0.00 0.00 58.73 61.54 3hav h TYR 98 Cb 0.38 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.53 3hav h TYR 98 CO 0.00 1.11 0.00 0.72 -1.64 0.00 0.00 178.16 178.35 3hav n HIS 99 N -4.19 0.01 -0.40 -3.82 8.25 -0.68 -1.19 115.22 113.20 3hav n HIS 99 Ca -0.08 -0.45 0.00 0.00 -0.26 0.00 0.00 57.72 56.93 3hav n HIS 99 Cb 0.61 -0.24 0.00 0.00 1.12 0.00 0.00 29.99 31.48 3hav n HIS 99 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3hav n LYS 100 N 0.44 -0.30 -3.02 -0.41 4.76 -1.15 -5.05 118.16 113.44 3hav n LYS 100 Ca 0.00 -0.40 -0.26 0.00 -2.87 0.00 0.00 58.31 54.78 3hav n LYS 100 Cb 0.48 -0.80 -0.01 0.00 -1.84 0.00 0.00 35.03 32.86 3hav n LYS 100 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3hav s LEU 101 N -0.08 3.83 0.85 -0.35 1.43 -0.33 -5.09 118.68 118.94 3hav s LEU 101 Ca 0.00 0.70 -0.13 0.00 -1.03 0.00 0.00 54.13 53.67 3hav s LEU 101 Cb 0.00 -3.61 0.11 0.00 0.03 0.00 0.00 46.19 42.72 3hav s LEU 101 CO 0.00 -0.43 1.20 -0.94 0.23 0.00 0.00 176.35 176.41 3hav s SER 102 N -4.01 4.14 0.15 2.29 1.04 -1.26 -4.80 113.70 111.25 3hav s SER 102 Ca 0.44 0.71 -0.15 0.00 0.48 0.00 0.00 55.95 57.43 3hav s SER 102 Cb -0.10 -1.13 0.03 0.00 0.10 0.00 0.00 66.02 64.92 3hav s SER 102 CO 0.40 -2.13 1.73 -0.33 0.98 0.00 0.00 173.24 173.89 3hav h GLU 103 N -1.21 0.69 0.00 4.02 4.39 -1.98 0.71 114.58 121.19 3hav h GLU 103 Ca -0.46 -0.10 -0.05 0.00 0.34 0.00 0.00 59.36 59.09 3hav h GLU 103 Cb 1.31 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 29.83 3hav h GLU 103 CO 0.61 0.58 -0.24 1.57 -1.16 0.00 0.00 179.01 180.36 3hav h LYS 104 N 0.63 0.00 0.06 2.33 5.09 -1.98 0.24 116.57 122.94 3hav h LYS 104 Ca 0.16 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.90 3hav h LYS 104 Cb 0.12 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.45 3hav h LYS 104 CO -0.02 0.24 -0.03 0.93 -2.09 0.00 0.00 179.45 178.48 3hav h GLU 105 N 0.00 -0.08 -0.29 0.07 5.08 -1.81 -2.85 114.58 114.70 3hav h GLU 105 Ca -0.00 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.38 3hav h GLU 105 Cb 0.52 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 3hav h GLU 105 CO 0.03 0.52 0.20 0.87 -1.00 0.00 0.00 179.01 179.63 3hav h LYS 106 N -0.87 0.31 0.16 2.33 1.57 -0.80 -2.59 116.57 116.68 3hav h LYS 106 Ca -0.01 -0.02 0.01 0.00 -1.87 0.00 0.00 60.65 58.76 3hav h LYS 106 Cb 0.63 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 3hav h LYS 106 CO 0.01 0.20 -0.19 0.22 -0.57 0.00 0.00 179.45 179.13 3hav h ASP 107 N 0.32 -0.51 -0.15 0.86 1.82 -0.55 -1.96 116.42 116.25 3hav h ASP 107 Ca 0.12 0.05 -0.05 0.00 -0.39 0.00 0.00 57.03 56.76 3hav h ASP 107 Cb 0.08 0.18 -0.02 0.00 0.68 0.00 0.00 39.33 40.26 3hav h ASP 107 CO -0.03 -0.28 -0.04 0.00 -1.61 0.00 0.00 179.24 177.28 3hav h ALA 108 N 0.38 1.40 -0.07 -0.78 0.00 -1.22 -1.96 119.26 117.01 3hav h ALA 108 Ca 0.01 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 3hav h ALA 108 Cb 0.39 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 3hav h ALA 108 CO -0.07 0.42 0.04 -0.07 0.00 0.00 0.00 179.25 179.57 3hav h LEU 109 N 0.42 0.08 -1.57 0.00 3.38 -1.17 0.11 115.31 116.57 3hav h LEU 109 Ca 0.09 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3hav h LEU 109 Cb 0.35 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 3hav h LEU 109 CO 0.01 0.10 0.21 0.00 0.09 0.00 0.00 178.44 178.86 3hav h ALA 110 N 0.99 1.68 -0.58 1.53 0.00 -1.09 -0.90 119.26 120.88 3hav h ALA 110 Ca 0.03 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.78 3hav h ALA 110 Cb 0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3hav h ALA 110 CO -0.00 0.28 -0.05 -0.92 0.00 0.00 0.00 179.25 178.56 3hav h TYR 111 N 0.51 1.15 0.89 0.00 3.20 -0.77 -2.02 116.97 119.93 3hav h TYR 111 Ca 0.13 -0.21 -0.04 0.00 3.14 0.00 0.00 58.73 61.75 3hav h TYR 111 Cb -0.00 -0.29 0.01 0.00 1.54 0.00 0.00 36.73 37.98 3hav h TYR 111 CO 0.00 1.04 -0.43 -0.44 -1.64 0.00 0.00 178.16 176.69 3hav h ASP 112 N 0.95 -1.01 -0.22 -2.11 3.32 0.50 0.32 116.42 118.16 3hav h ASP 112 Ca 0.16 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.22 3hav h ASP 112 Cb 0.61 0.26 -0.02 0.00 0.22 0.00 0.00 39.33 40.41 3hav h ASP 112 CO 0.04 -0.68 0.09 -0.33 -1.72 0.00 0.00 179.24 176.64 3hav h GLU 113 N -1.29 0.40 -0.17 3.56 5.08 -1.34 0.35 114.58 121.16 3hav h GLU 113 Ca -0.12 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.09 3hav h GLU 113 Cb 0.92 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 30.09 3hav h GLU 113 CO 0.20 0.36 -0.27 0.00 -1.00 0.00 0.00 179.01 178.30 3hav h ALA 114 N 1.70 0.27 -0.57 3.43 0.00 -1.34 -1.87 119.26 120.87 3hav h ALA 114 Ca 0.10 -0.39 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 3hav h ALA 114 Cb 0.13 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3hav h ALA 114 CO -0.01 0.26 0.28 1.15 0.00 0.00 0.00 179.25 180.93 3hav h THR 115 N 0.13 1.19 -0.07 0.00 2.02 -0.34 0.68 112.91 116.51 3hav h THR 115 Ca 0.02 -0.51 -0.01 0.00 0.77 0.00 0.00 66.41 66.67 3hav h THR 115 Cb 0.84 0.45 -0.00 0.00 -1.74 0.00 0.00 68.15 67.70 3hav h THR 115 CO 0.06 0.21 -0.01 0.15 0.37 0.00 0.00 175.52 176.30 3hav h PHE 116 N 0.80 0.15 -0.17 3.16 3.57 -0.89 -2.24 116.94 121.31 3hav h PHE 116 Ca 0.20 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.66 3hav h PHE 116 Cb 0.07 -0.04 -0.01 0.00 2.79 0.00 0.00 35.95 38.77 3hav h PHE 116 CO 0.01 0.44 0.07 -0.07 -2.23 0.00 0.00 178.31 176.53 3hav h LEU 117 N -0.18 0.24 -0.51 0.59 3.38 -1.09 0.20 115.31 117.93 3hav h LEU 117 Ca 0.02 -0.16 0.10 0.00 0.09 0.00 0.00 57.88 57.93 3hav h LEU 117 Cb 0.39 -0.06 -0.08 0.00 0.09 0.00 0.00 40.66 41.00 3hav h LEU 117 CO 0.01 0.33 0.03 0.50 0.09 0.00 0.00 178.44 179.40 3hav h LYS 118 N 0.13 0.15 -0.11 1.13 1.63 -0.91 0.13 116.57 118.71 3hav h LYS 118 Ca 0.06 -0.01 -0.00 0.00 -0.85 0.00 0.00 60.65 59.85 3hav h LYS 118 Cb 0.16 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.75 3hav h LYS 118 CO -0.01 0.10 0.06 0.93 -3.45 0.00 0.00 179.45 177.08 3hav h GLU 119 N 0.15 0.16 -0.90 1.90 5.08 -1.11 -2.10 114.58 117.76 3hav h GLU 119 Ca 0.26 -0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.67 3hav h GLU 119 Cb 0.39 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 29.55 3hav h GLU 119 CO -0.40 0.21 0.58 1.25 -1.00 0.00 0.00 179.01 179.66 3hav h LEU 120 N 0.07 0.89 -0.13 1.33 5.85 0.37 -1.70 115.31 121.98 3hav h LEU 120 Ca 0.04 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3hav h LEU 120 Cb 0.10 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.95 3hav h LEU 120 CO -0.01 0.57 -0.30 1.41 -0.34 0.00 0.00 178.44 179.77 3hav n HIS 121 N -4.49 0.00 0.21 1.25 8.25 0.36 -3.59 115.22 117.21 3hav n HIS 121 Ca 0.14 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.72 3hav n HIS 121 Cb 0.20 -0.26 0.12 0.00 1.12 0.00 0.00 29.99 31.17 3hav n HIS 121 CO 0.00 0.00 0.00 0.77 0.64 0.00 0.00 176.34 177.75 3hav h SER 122 N 0.32 0.00 -2.59 0.41 0.02 -0.60 -3.45 113.55 107.67 3hav h SER 122 Ca 0.00 -0.01 -0.52 0.00 -0.84 0.00 0.00 61.79 60.42 3hav h SER 122 Cb 0.48 0.00 0.05 0.00 0.14 0.00 0.00 62.40 63.06 3hav h SER 122 CO 0.00 0.00 1.07 -0.63 -1.14 0.00 0.00 176.83 176.13 3hav s ILE 123 N -3.26 2.39 -0.27 3.27 1.01 -1.18 -4.94 121.20 118.23 3hav s ILE 123 Ca 0.04 0.07 -0.29 0.00 0.00 0.00 0.00 60.65 60.47 3hav s ILE 123 Cb 0.07 -3.05 0.00 0.00 0.01 0.00 0.00 42.46 39.50 3hav s ILE 123 CO 0.71 0.00 1.22 -1.83 0.00 0.00 0.00 174.94 175.04 3hav s GLU 124 N 2.16 4.05 -0.05 2.79 -1.05 -1.26 -4.71 118.70 120.63 3hav s GLU 124 Ca 0.78 1.31 -0.23 0.00 -0.15 0.00 0.00 54.97 56.69 3hav s GLU 124 Cb -0.47 -3.80 -0.17 0.00 -0.44 0.00 0.00 34.13 29.25 3hav s GLU 124 CO 0.35 -0.93 0.96 0.82 0.95 0.00 0.00 175.26 177.41 3hav h ILE 125 N 5.75 1.00 -4.33 1.83 5.03 -1.97 -3.50 117.51 121.32 3hav h ILE 125 Ca -0.24 -1.18 0.00 0.00 -0.12 0.00 0.00 64.86 63.32 3hav h ILE 125 Cb 1.09 1.66 0.00 0.00 -3.03 0.00 0.00 36.82 36.54 3hav h ILE 125 CO 1.01 0.25 -0.49 -0.67 -0.68 0.00 0.00 178.15 177.57 3hav n ASP 126 N -4.90 -5.66 0.00 1.72 2.03 -1.26 -4.90 116.55 103.57 3hav n ASP 126 Ca -0.08 0.67 0.09 0.00 0.52 0.00 0.00 54.79 55.99 3hav n ASP 126 Cb 0.27 -3.66 0.51 0.00 -0.72 0.00 0.00 41.12 37.52 3hav n ASP 126 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3hav h SER 128 N 0.00 0.48 -2.87 0.00 4.64 -1.98 -3.35 113.55 110.47 3hav h SER 128 Ca 0.00 -0.12 -0.56 0.00 -0.47 0.00 0.00 61.79 60.63 3hav h SER 128 Cb 0.00 -0.13 -0.03 0.00 -0.31 0.00 0.00 62.40 61.93 3hav h SER 128 CO 0.00 0.63 0.99 -0.69 -0.87 0.00 0.00 176.83 176.89 3hav s VAL 129 N -4.75 4.02 0.41 0.95 1.01 -1.08 -4.91 120.40 116.05 3hav s VAL 129 Ca -0.07 1.20 0.17 0.00 0.00 0.00 0.00 61.98 63.28 3hav s VAL 129 Cb 0.15 -3.87 0.37 0.00 0.00 0.00 0.00 36.38 33.03 3hav s VAL 129 CO 0.78 -0.21 1.84 -1.28 0.00 0.00 0.00 175.10 176.23 3hav h SER 130 N 9.11 0.44 -0.98 3.32 0.87 -1.89 -1.29 113.55 123.13 3hav h SER 130 Ca -0.30 0.05 0.32 0.00 -1.23 0.00 0.00 61.79 60.63 3hav h SER 130 Cb 1.12 -0.03 -0.15 0.00 -0.44 0.00 0.00 62.40 62.90 3hav h SER 130 CO 0.98 0.17 0.49 0.25 -0.53 0.00 0.00 176.83 178.19 3hav h LEU 131 N 0.44 0.35 0.01 2.23 6.46 -1.92 0.76 115.31 123.64 3hav h LEU 131 Ca 0.49 0.21 -0.35 0.00 -0.12 0.00 0.00 57.88 58.10 3hav h LEU 131 Cb 1.16 0.20 -0.06 0.00 -0.73 0.00 0.00 40.66 41.23 3hav h LEU 131 CO -0.20 -0.20 -2.19 0.49 -0.62 0.00 0.00 178.44 175.72 3hav n PHE 132 N -5.13 0.36 -0.24 1.25 3.01 -0.52 -3.63 117.46 112.57 3hav n PHE 132 Ca 0.31 0.12 -0.01 0.00 1.01 0.00 0.00 57.45 58.88 3hav n PHE 132 Cb 0.98 -1.06 0.11 0.00 -0.01 0.00 0.00 39.48 39.49 3hav n PHE 132 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3hav h SER 133 N 0.01 0.52 0.85 4.37 0.87 -0.81 -0.37 113.55 119.00 3hav h SER 133 Ca -0.47 0.04 -0.06 0.00 -1.23 0.00 0.00 61.79 60.07 3hav h SER 133 Cb 2.12 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 64.02 3hav h SER 133 CO 0.03 0.33 -0.26 0.44 -0.53 0.00 0.00 176.83 176.84 3hav h ASP 134 N 0.66 0.00 0.32 6.23 3.45 -1.08 -2.90 116.42 123.11 3hav h ASP 134 Ca 0.32 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.78 3hav h ASP 134 Cb 0.24 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.01 3hav h ASP 134 CO -0.21 0.26 -0.14 0.00 -1.57 0.00 0.00 179.24 177.59 3hav n ALA 135 N -2.25 2.82 -1.88 3.45 0.00 -0.26 -4.80 120.51 117.59 3hav n ALA 135 Ca -0.00 -0.30 -0.38 0.00 0.00 0.00 0.00 53.44 52.76 3hav n ALA 135 Cb 0.44 -1.29 -0.03 0.00 0.00 0.00 0.00 19.45 18.57 3hav n ALA 135 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3hav s LEU 136 N -2.46 3.33 0.12 0.00 1.98 -0.55 -1.40 118.68 119.69 3hav s LEU 136 Ca 0.28 0.57 -0.30 0.00 -2.89 0.00 0.00 54.13 51.80 3hav s LEU 136 Cb 0.20 -2.52 -0.06 0.00 0.66 0.00 0.00 46.19 44.47 3hav s LEU 136 CO 0.48 -2.55 1.05 -0.69 -1.89 0.00 0.00 176.35 172.75 3hav s VAL 137 N 10.14 4.23 -0.41 1.68 1.01 -1.09 -4.96 120.40 131.02 3hav s VAL 137 Ca 0.77 1.81 -0.10 0.00 0.00 0.00 0.00 61.98 64.46 3hav s VAL 137 Cb -0.14 -4.15 0.06 0.00 0.00 0.00 0.00 36.38 32.15 3hav s VAL 137 CO 0.22 0.25 0.25 0.21 0.00 0.00 0.00 175.10 176.03 3hav s ASN 138 N 0.24 5.69 -0.39 3.32 3.84 -1.26 -4.86 114.94 121.53 3hav s ASN 138 Ca 0.50 -1.33 -0.07 0.00 0.21 0.00 0.00 52.86 52.18 3hav s ASN 138 Cb -0.26 -2.01 -0.21 0.00 -0.55 0.00 0.00 41.25 38.22 3hav s ASN 138 CO 0.31 -0.49 3.28 1.17 -2.79 0.00 0.00 177.10 178.58 3hav n LYS 139 N 4.96 2.27 0.00 0.43 4.81 -1.26 -2.08 118.16 127.29 3hav n LYS 139 Ca -0.11 -1.23 0.00 0.00 -0.87 0.00 0.00 58.31 56.10 3hav n LYS 139 Cb 0.44 -2.16 0.00 0.00 0.02 0.00 0.00 35.03 33.32 3hav n LYS 139 CO 0.00 0.00 0.00 0.36 1.17 0.00 0.00 177.40 178.93 3hav n LYS 140 N 2.82 1.88 0.02 1.64 2.85 -1.26 -4.84 118.16 121.27 3hav n LYS 140 Ca 0.49 0.00 -0.13 0.00 -1.05 0.00 0.00 58.31 57.61 3hav n LYS 140 Cb 0.70 -0.17 -0.14 0.00 -0.65 0.00 0.00 35.03 34.77 3hav n LYS 140 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 3hav h ASP 141 N 0.00 0.19 -0.48 -5.58 3.32 -1.84 -3.09 116.42 108.94 3hav h ASP 141 Ca 0.00 -0.34 -0.04 0.00 0.02 0.00 0.00 57.03 56.67 3hav h ASP 141 Cb 0.00 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.47 3hav h ASP 141 CO 0.00 1.30 0.15 0.07 -1.72 0.00 0.00 179.24 179.03 3hav h LYS 142 N 0.03 0.75 0.20 3.56 2.10 -1.88 0.33 116.57 121.66 3hav h LYS 142 Ca -0.28 -0.16 -0.01 0.00 -2.00 0.00 0.00 60.65 58.20 3hav h LYS 142 Cb 2.00 -0.11 0.00 0.00 -0.90 0.00 0.00 32.23 33.22 3hav h LYS 142 CO 0.11 0.71 -0.10 0.74 -2.00 0.00 0.00 179.45 178.91 3hav h PHE 143 N 0.64 -0.25 0.00 0.07 0.05 -1.87 0.25 116.94 115.83 3hav h PHE 143 Ca 0.15 -0.01 -0.01 0.00 3.82 0.00 0.00 57.97 61.93 3hav h PHE 143 Cb 0.28 0.08 -0.00 0.00 2.00 0.00 0.00 35.95 38.31 3hav h PHE 143 CO 0.01 0.06 -0.05 -0.07 -0.18 0.00 0.00 178.31 178.09 3hav h LEU 144 N -0.58 0.00 0.00 1.54 3.38 -1.49 0.72 115.31 118.88 3hav h LEU 144 Ca -0.03 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.76 3hav h LEU 144 Cb 0.43 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 3hav h LEU 144 CO 0.05 0.05 -0.89 -0.61 0.09 0.00 0.00 178.44 177.12 3hav h GLN 145 N 0.00 0.00 0.20 1.13 4.15 -0.17 0.30 115.11 120.72 3hav h GLN 145 Ca -0.00 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 3hav h GLN 145 Cb 0.09 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.79 3hav h GLN 145 CO 0.01 0.84 -0.10 -0.44 -1.93 0.00 0.00 178.83 177.21 3hav h ASP 146 N 0.00 -0.23 -0.06 -0.69 5.19 0.11 0.92 116.42 121.67 3hav h ASP 146 Ca -0.02 -0.25 0.04 0.00 -0.62 0.00 0.00 57.03 56.18 3hav h ASP 146 Cb 1.67 0.06 -0.05 0.00 0.18 0.00 0.00 39.33 41.19 3hav h ASP 146 CO 0.11 0.15 -0.24 0.50 -3.12 0.00 0.00 179.24 176.63 3hav h LYS 147 N -0.63 -0.34 -0.47 3.56 3.11 0.39 0.75 116.57 122.94 3hav h LYS 147 Ca -0.03 0.02 -0.02 0.00 -2.81 0.00 0.00 60.65 57.82 3hav h LYS 147 Cb 0.46 0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.74 3hav h LYS 147 CO 0.04 -0.22 0.22 0.87 -2.81 0.00 0.00 179.45 177.55 3hav h LYS 148 N -0.35 0.66 0.00 1.90 1.57 -0.46 0.51 116.57 120.41 3hav h LYS 148 Ca 0.08 -0.08 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3hav h LYS 148 Cb 0.46 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.64 3hav h LYS 148 CO -0.26 0.53 -0.00 1.25 -0.57 0.00 0.00 179.45 180.40 3hav h LEU 149 N 0.66 -0.01 -0.36 2.94 5.85 -0.07 -3.12 115.31 121.20 3hav h LEU 149 Ca 0.17 -0.87 -0.18 0.00 0.84 0.00 0.00 57.88 57.84 3hav h LEU 149 Cb 0.09 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.12 3hav h LEU 149 CO -0.02 0.90 -0.53 -0.07 -0.34 0.00 0.00 178.44 178.38 3hav h LEU 150 N -0.94 0.90 -0.92 2.25 3.38 0.49 0.45 115.31 120.93 3hav h LEU 150 Ca -0.00 -0.47 0.11 0.00 0.09 0.00 0.00 57.88 57.60 3hav h LEU 150 Cb 0.88 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 41.29 3hav h LEU 150 CO 0.00 1.25 0.56 -0.29 0.09 0.00 0.00 178.44 180.05 3hav h ILE 151 N 0.63 0.92 0.00 1.22 2.10 -1.04 0.35 117.51 121.70 3hav h ILE 151 Ca 0.02 -0.31 0.00 0.00 1.08 0.00 0.00 64.86 65.65 3hav h ILE 151 Cb 1.12 -0.07 0.00 0.00 -1.09 0.00 0.00 36.82 36.78 3hav h ILE 151 CO 0.11 0.17 -0.10 0.77 -1.08 0.00 0.00 178.15 178.02 3hav h SER 152 N 0.91 0.00 -0.02 2.19 4.64 -1.39 -1.49 113.55 118.40 3hav h SER 152 Ca 0.45 -0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.61 3hav h SER 152 Cb 0.41 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.51 3hav h SER 152 CO -0.25 0.01 -0.54 0.40 -0.87 0.00 0.00 176.83 175.57 3hav h ILE 153 N 0.00 1.43 0.00 0.95 2.04 0.22 1.32 117.51 123.47 3hav h ILE 153 Ca 0.00 -2.01 -0.03 0.00 1.00 0.00 0.00 64.86 63.81 3hav h ILE 153 Cb 0.89 2.55 -0.00 0.00 -0.74 0.00 0.00 36.82 39.51 3hav h ILE 153 CO 0.00 0.58 -0.15 -0.07 0.00 0.00 0.00 178.15 178.51 3hav h LEU 154 N -0.12 0.00 0.07 1.44 3.38 -0.43 -1.84 115.31 117.81 3hav h LEU 154 Ca -0.06 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.75 3hav h LEU 154 Cb 1.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.00 3hav h LEU 154 CO 0.11 0.15 -0.76 -0.33 0.09 0.00 0.00 178.44 177.70 3hav h GLU 155 N 0.00 0.15 -0.36 1.13 5.08 -1.13 0.35 114.58 119.79 3hav h GLU 155 Ca -0.00 -0.26 0.06 0.00 -1.00 0.00 0.00 59.36 58.16 3hav h GLU 155 Cb 0.60 0.10 -0.05 0.00 0.50 0.00 0.00 28.75 29.90 3hav h GLU 155 CO 0.02 1.12 0.06 0.87 -1.00 0.00 0.00 179.01 180.08 3hav h LYS 156 N -0.64 0.17 -1.85 2.33 1.57 0.18 0.12 116.57 118.44 3hav h LYS 156 Ca -0.17 -0.01 -0.53 0.00 -1.87 0.00 0.00 60.65 58.07 3hav h LYS 156 Cb 1.42 -0.04 -0.20 0.00 0.08 0.00 0.00 32.23 33.50 3hav h LYS 156 CO 0.03 0.11 0.55 0.39 -0.57 0.00 0.00 179.45 179.97 3hav n GLU 157 N -5.11 2.39 0.00 3.15 4.71 -0.70 -4.98 120.64 120.11 3hav n GLU 157 Ca 0.02 -2.50 0.00 0.00 -0.01 0.00 0.00 57.16 54.66 3hav n GLU 157 Cb 0.16 -2.09 0.00 0.00 -1.01 0.00 0.00 31.44 28.50 3hav n GLU 157 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3hav n GLN 158 N 0.41 0.00 0.00 3.49 -0.00 0.40 -4.85 117.38 116.84 3hav n GLN 158 Ca 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 57.48 3hav n GLN 158 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.75 3hav n GLN 158 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.06 176.95 3hav n LEU 159 N 0.00 0.00 0.00 2.61 0.00 0.12 -4.99 117.00 114.74 3hav n LEU 159 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 3hav n LEU 159 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 3hav n LEU 159 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 177.39 177.57 3hav n LEU 165 N -0.31 0.00 -0.11 -1.96 4.32 -1.26 -4.94 117.00 112.74 3hav n LEU 165 Ca 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 56.01 55.95 3hav n LEU 165 Cb 0.00 0.02 0.16 0.00 -1.62 0.00 0.00 43.42 41.98 3hav n LEU 165 CO 0.00 -0.02 0.89 -0.33 -1.22 0.00 0.00 177.39 176.71 3hav h GLU 166 N 0.00 0.80 -0.35 3.23 5.08 -2.05 -2.63 114.58 118.66 3hav h GLU 166 Ca 0.00 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 3hav h GLU 166 Cb 0.00 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 3hav h GLU 166 CO 0.00 0.79 0.17 1.25 -1.00 0.00 0.00 179.01 180.22 3hav h HIS 167 N 0.75 0.47 -0.21 4.33 2.76 -2.04 -1.73 115.15 119.48 3hav h HIS 167 Ca 0.15 -0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.21 3hav h HIS 167 Cb 0.43 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 29.23 3hav h HIS 167 CO 0.02 0.35 -0.31 0.82 -1.30 0.00 0.00 177.93 177.51 3hav h ILE 168 N 0.49 1.28 -0.15 6.26 2.04 -1.92 -2.96 117.51 122.55 3hav h ILE 168 Ca 0.12 -1.37 0.00 0.00 1.00 0.00 0.00 64.86 64.61 3hav h ILE 168 Cb 0.05 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 3hav h ILE 168 CO -0.02 0.43 0.10 -0.08 0.00 0.00 0.00 178.15 178.58 3hav h GLU 169 N 0.38 0.20 0.00 2.37 4.81 -1.22 -2.24 114.58 118.88 3hav h GLU 169 Ca 0.05 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.23 3hav h GLU 169 Cb 0.74 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 3hav h GLU 169 CO 0.06 0.14 -0.18 1.15 -0.73 0.00 0.00 179.01 179.45 3hav h THR 170 N 0.19 0.76 0.00 0.32 2.02 -1.50 -2.77 112.91 111.93 3hav h THR 170 Ca 0.05 -0.73 0.00 0.00 0.77 0.00 0.00 66.41 66.50 3hav h THR 170 Cb -0.01 1.45 0.00 0.00 -1.74 0.00 0.00 68.15 67.85 3hav h THR 170 CO -0.01 0.18 0.00 -0.38 0.37 0.00 0.00 175.52 175.68 3hav n ILE 171 N -3.78 0.00 0.30 3.11 2.08 -0.88 -3.17 119.36 117.02 3hav n ILE 171 Ca -0.02 0.97 0.18 0.00 0.56 0.00 0.00 62.75 64.44 3hav n ILE 171 Cb 0.29 -1.83 0.95 0.00 -0.75 0.00 0.00 39.64 38.30 3hav n ILE 171 CO 0.00 0.00 0.00 1.88 0.56 0.00 0.00 176.55 178.99 3hav h TYR 172 N 0.00 0.00 0.00 1.39 -1.99 -1.54 0.05 116.97 114.88 3hav h TYR 172 Ca 0.00 0.00 -0.10 0.00 2.00 0.00 0.00 58.73 60.63 3hav h TYR 172 Cb 0.00 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.72 3hav h TYR 172 CO 0.08 0.03 -0.48 1.05 -0.00 0.00 0.00 178.16 178.85 3hav h GLU 173 N 0.00 0.00 0.00 4.88 -0.00 -1.62 -1.10 114.58 116.74 3hav h GLU 173 Ca -0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 59.36 59.21 3hav h GLU 173 Cb 0.16 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 28.89 3hav h GLU 173 CO 0.00 0.48 -0.69 -0.91 -0.00 0.00 0.00 179.01 177.89 3hav h ASN 174 N 0.00 0.00 -0.01 3.06 -0.26 -0.94 -3.30 115.58 114.12 3hav h ASN 174 Ca -0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.73 3hav h ASN 174 Cb 0.95 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 38.21 3hav h ASN 174 CO 0.06 0.69 -0.03 0.40 -1.06 0.00 0.00 177.43 177.50 3hav h ILE 175 N 0.00 1.47 -1.04 2.81 2.04 -1.22 -3.31 117.51 118.26 3hav h ILE 175 Ca -0.01 -1.42 0.27 0.00 1.00 0.00 0.00 64.86 64.71 3hav h ILE 175 Cb 1.29 2.40 -0.08 0.00 -0.74 0.00 0.00 36.82 39.69 3hav h ILE 175 CO 0.09 0.37 0.69 -0.07 0.00 0.00 0.00 178.15 179.24 3hav h LEU 176 N -0.54 0.33 -4.45 1.44 3.38 -1.29 -1.87 115.31 112.31 3hav h LEU 176 Ca -0.00 0.06 -0.66 0.00 0.09 0.00 0.00 57.88 57.37 3hav h LEU 176 Cb 0.62 0.01 -0.35 0.00 0.09 0.00 0.00 40.66 41.03 3hav h LEU 176 CO 0.01 0.07 0.14 -3.20 0.09 0.00 0.00 178.44 175.55 3hav n ASN 177 N -4.51 6.23 -4.28 -0.43 4.05 -1.24 -4.97 115.26 110.11 3hav n ASN 177 Ca 0.24 -3.78 -0.35 0.00 0.45 0.00 0.00 54.58 51.14 3hav n ASN 177 Cb 0.94 -0.74 -0.14 0.00 1.23 0.00 0.00 39.78 41.07 3hav n ASN 177 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 3hav s ASN 178 N -2.42 4.39 1.01 1.20 3.04 -0.71 -5.03 114.94 116.42 3hav s ASN 178 Ca 0.53 -0.57 -0.13 0.00 0.04 0.00 0.00 52.86 52.72 3hav s ASN 178 Cb 0.44 -1.73 0.10 0.00 -1.54 0.00 0.00 41.25 38.52 3hav s ASN 178 CO -0.19 -0.07 0.53 0.00 -3.04 0.00 0.00 177.10 174.33 3hav n ALA 179 N 4.77 -2.64 0.00 1.71 0.00 -1.26 -3.21 120.51 119.88 3hav n ALA 179 Ca -0.17 -0.82 0.00 0.00 0.00 0.00 0.00 53.44 52.45 3hav n ALA 179 Cb 0.49 -1.84 0.00 0.00 0.00 0.00 0.00 19.45 18.11 3hav n ALA 179 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3hav n VAL 180 N -4.08 0.00 0.29 0.00 0.24 -1.26 -4.64 118.33 108.89 3hav n VAL 180 Ca 0.06 0.00 -0.12 0.00 -2.04 0.00 0.00 64.34 62.24 3hav n VAL 180 Cb 0.55 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.86 3hav n VAL 180 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 3hav h LEU 181 N 0.00 -0.67 -1.73 1.34 4.07 -1.95 -3.19 115.31 113.18 3hav h LEU 181 Ca 0.00 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.98 3hav h LEU 181 Cb 0.00 0.17 0.00 0.00 1.08 0.00 0.00 40.66 41.91 3hav h LEU 181 CO 0.00 -0.30 0.00 0.49 -1.08 0.00 0.00 178.44 177.55 3hav n PHE 182 N -5.12 0.70 -3.90 1.13 3.01 -1.26 -4.63 117.46 107.40 3hav n PHE 182 Ca -0.10 -0.27 -0.30 0.00 1.01 0.00 0.00 57.45 57.80 3hav n PHE 182 Cb 0.31 -0.18 -0.14 0.00 -0.01 0.00 0.00 39.48 39.47 3hav n PHE 182 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 3hav s LYS 183 N -1.68 1.77 0.17 -1.08 2.20 -1.20 -5.07 119.74 114.86 3hav s LYS 183 Ca 0.22 -2.42 -0.22 0.00 -0.36 0.00 0.00 55.97 53.19 3hav s LYS 183 Cb 0.15 -3.07 0.06 0.00 -1.51 0.00 0.00 37.83 33.46 3hav s LYS 183 CO 0.09 -1.11 0.58 1.52 -0.36 0.00 0.00 175.35 176.07 3hav s TYR 184 N -0.05 -0.43 -0.41 4.03 -0.85 -1.26 -4.73 117.35 113.64 3hav s TYR 184 Ca 0.17 0.17 -0.13 0.00 -0.52 0.00 0.00 57.07 56.75 3hav s TYR 184 Cb -0.25 0.53 0.04 0.00 0.38 0.00 0.00 41.96 42.66 3hav s TYR 184 CO -0.01 -0.88 0.29 0.99 -1.52 0.00 0.00 175.55 174.42 3hav s THR 185 N -3.79 4.88 0.54 -3.49 2.01 -1.26 -5.00 115.64 109.53 3hav s THR 185 Ca 0.03 -0.93 -0.20 0.00 0.31 0.00 0.00 61.69 60.89 3hav s THR 185 Cb -0.01 -3.80 -0.07 0.00 0.01 0.00 0.00 72.50 68.62 3hav s THR 185 CO -0.10 -0.38 0.92 -2.65 -0.69 0.00 0.00 174.62 171.72 3hav n PRO 186 N 5.08 1.01 -3.94 4.92 -0.02 -1.26 -4.67 135.00 136.12 3hav n PRO 186 Ca -0.11 0.38 -0.12 0.00 -2.02 0.00 0.00 63.50 61.63 3hav n PRO 186 Cb 0.45 -2.06 -0.01 0.00 -0.02 0.00 0.00 33.50 31.86 3hav n PRO 186 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3hav s LEU 188 N -3.16 4.29 -0.02 0.00 2.96 -1.26 -0.29 118.68 121.21 3hav s LEU 188 Ca 0.23 2.06 0.06 0.00 -0.22 0.00 0.00 54.13 56.26 3hav s LEU 188 Cb -0.03 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 43.10 3hav s LEU 188 CO 0.16 -0.77 -0.19 0.68 -1.32 0.00 0.00 176.35 174.91 3hav s VAL 189 N 2.92 1.54 0.08 1.68 -7.23 -0.12 -4.41 120.40 114.86 3hav s VAL 189 Ca 0.64 -0.82 -0.25 0.00 -1.81 0.00 0.00 61.98 59.74 3hav s VAL 189 Cb -0.30 -1.29 -0.16 0.00 0.56 0.00 0.00 36.38 35.18 3hav s VAL 189 CO 0.25 0.44 1.66 -0.74 -0.31 0.00 0.00 175.10 176.40 3hav h HIS 190 N 5.80 -0.20 0.00 2.82 2.76 -1.93 -2.46 115.15 121.95 3hav h HIS 190 Ca -0.37 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.80 3hav h HIS 190 Cb 1.15 0.07 0.00 0.00 1.55 0.00 0.00 27.41 30.18 3hav h HIS 190 CO 0.41 -0.09 0.00 -1.71 -1.30 0.00 0.00 177.93 175.24 3hav n ASN 191 N -5.16 0.00 -2.84 3.26 5.15 -1.26 -3.00 115.26 111.40 3hav n ASN 191 Ca -0.09 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 53.78 3hav n ASN 191 Cb 0.13 0.00 0.02 0.00 -0.53 0.00 0.00 39.78 39.40 3hav n ASN 191 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 3hav n ASP 192 N 0.00 0.74 -4.58 1.20 -0.08 -1.26 -4.95 116.55 107.62 3hav n ASP 192 Ca 0.00 -2.84 -0.37 0.00 -1.51 0.00 0.00 54.79 50.06 3hav n ASP 192 Cb 0.00 -0.29 -0.02 0.00 2.34 0.00 0.00 41.12 43.15 3hav n ASP 192 CO 0.00 0.00 0.00 0.12 0.12 0.00 0.00 177.20 177.44 3hav s PHE 193 N -2.42 2.45 0.34 -0.67 5.36 -1.26 -4.78 117.98 117.00 3hav s PHE 193 Ca 0.31 -0.80 0.06 0.00 -0.96 0.00 0.00 56.93 55.54 3hav s PHE 193 Cb 0.41 -4.47 -0.07 0.00 -0.34 0.00 0.00 43.02 38.55 3hav s PHE 193 CO -0.02 -1.60 0.01 0.45 -1.46 0.00 0.00 175.22 172.60 3hav s SER 194 N 5.16 2.94 0.48 6.13 0.15 -1.26 -4.46 113.70 122.83 3hav s SER 194 Ca 0.59 -1.32 0.25 0.00 0.70 0.00 0.00 55.95 56.17 3hav s SER 194 Cb 0.02 -0.20 1.20 0.00 -1.71 0.00 0.00 66.02 65.32 3hav s SER 194 CO 0.09 -0.48 1.96 0.00 1.20 0.00 0.00 173.24 176.01 3hav h ALA 195 N 2.06 1.20 0.00 5.45 0.00 -1.91 -1.71 119.26 124.36 3hav h ALA 195 Ca -0.41 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.33 3hav h ALA 195 Cb 1.24 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3hav h ALA 195 CO 0.72 0.23 0.00 0.27 0.00 0.00 0.00 179.25 180.47 3hav n ASN 196 N -3.61 0.63 -1.25 0.00 2.04 -1.26 -2.06 115.26 109.74 3hav n ASN 196 Ca -0.01 0.62 0.01 0.00 -0.44 0.00 0.00 54.58 54.76 3hav n ASN 196 Cb 0.32 -0.76 0.25 0.00 -2.53 0.00 0.00 39.78 37.06 3hav n ASN 196 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 3hav n ASN 197 N -2.15 3.73 -4.24 0.53 3.02 -0.65 -4.97 115.26 110.53 3hav n ASN 197 Ca 0.03 -3.29 -0.19 0.00 -0.03 0.00 0.00 54.58 51.11 3hav n ASN 197 Cb 0.29 -0.62 -0.11 0.00 -0.61 0.00 0.00 39.78 38.72 3hav n ASN 197 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 3hav s MET 198 N -3.00 1.01 -0.12 3.52 -1.94 -0.88 -0.97 119.30 116.93 3hav s MET 198 Ca 0.46 -1.18 0.03 0.00 -1.71 0.00 0.00 55.69 53.29 3hav s MET 198 Cb 0.39 -0.98 0.00 0.00 2.01 0.00 0.00 34.83 36.25 3hav s MET 198 CO 0.07 0.20 -0.22 0.42 -0.01 0.00 0.00 175.02 175.49 3hav s ILE 199 N -1.84 2.16 0.06 2.53 -1.09 0.17 -4.85 121.20 118.34 3hav s ILE 199 Ca 0.07 -0.97 0.06 0.00 -2.23 0.00 0.00 60.65 57.58 3hav s ILE 199 Cb -0.07 -1.85 -0.04 0.00 -1.58 0.00 0.00 42.46 38.93 3hav s ILE 199 CO 0.03 0.55 -0.13 -0.36 -1.23 0.00 0.00 174.94 173.80 3hav s PHE 200 N 0.53 2.69 -0.03 3.97 0.40 -1.25 0.24 117.98 124.54 3hav s PHE 200 Ca -0.13 -0.17 -0.01 0.00 -0.60 0.00 0.00 56.93 56.01 3hav s PHE 200 Cb -0.17 -1.48 0.03 0.00 0.51 0.00 0.00 43.02 41.91 3hav s PHE 200 CO 0.04 0.35 0.05 1.03 0.70 0.00 0.00 175.22 177.39 3hav s ARG 201 N -1.72 -0.03 -1.38 0.44 0.52 0.42 -0.92 118.95 116.27 3hav s ARG 201 Ca 0.18 0.25 -0.09 0.00 -0.52 0.00 0.00 55.73 55.54 3hav s ARG 201 Cb -0.11 -0.29 0.02 0.00 0.52 0.00 0.00 34.95 35.09 3hav s ARG 201 CO 0.09 -0.20 1.16 0.09 0.02 0.00 0.00 175.30 176.45 3hav n ASN 202 N 4.43 -6.06 -2.28 0.23 4.13 -1.26 -1.58 115.26 112.87 3hav n ASN 202 Ca -0.23 -0.57 -0.16 0.00 1.68 0.00 0.00 54.58 55.30 3hav n ASN 202 Cb 0.50 -4.89 -0.02 0.00 -1.54 0.00 0.00 39.78 33.83 3hav n ASN 202 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 3hav n ASN 203 N -3.00 -4.75 -4.11 6.41 3.02 -1.26 -4.96 115.26 106.61 3hav n ASN 203 Ca 0.00 0.14 -0.19 0.00 -0.03 0.00 0.00 54.58 54.51 3hav n ASN 203 Cb 0.56 -4.03 -0.13 0.00 -0.61 0.00 0.00 39.78 35.57 3hav n ASN 203 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3hav s ARG 204 N -4.79 0.82 0.31 3.52 1.81 -0.62 -4.62 118.95 115.38 3hav s ARG 204 Ca 0.00 -0.68 -0.29 0.00 -1.72 0.00 0.00 55.73 53.04 3hav s ARG 204 Cb 0.00 -0.79 -0.12 0.00 -0.45 0.00 0.00 34.95 33.59 3hav s ARG 204 CO 0.00 0.19 1.47 -0.11 -0.68 0.00 0.00 175.30 176.17 3hav n LEU 205 N 1.99 4.01 0.00 2.53 7.94 -1.26 -0.43 117.00 131.78 3hav n LEU 205 Ca -0.18 1.18 0.00 0.00 -1.11 0.00 0.00 56.01 55.90 3hav n LEU 205 Cb 0.55 -1.54 0.00 0.00 0.53 0.00 0.00 43.42 42.96 3hav n LEU 205 CO 0.23 -0.12 -0.42 0.33 -1.11 0.00 0.00 177.39 176.30 3hav n PHE 206 N 1.36 0.00 -3.49 1.96 7.35 0.14 -4.73 117.46 120.04 3hav n PHE 206 Ca 0.07 0.00 -0.15 0.00 -0.76 0.00 0.00 57.45 56.61 3hav n PHE 206 Cb 0.36 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.15 3hav n PHE 206 CO 0.00 0.00 0.00 0.20 -0.76 0.00 0.00 176.76 176.20 3hav s GLY 207 N -3.12 -0.57 -0.10 7.13 0.00 -0.64 -1.78 107.32 108.23 3hav s GLY 207 Ca 0.00 0.83 0.02 0.00 0.00 0.00 0.00 44.72 45.57 3hav s GLY 207 CO 0.00 0.49 -0.17 0.14 0.00 0.00 0.00 173.10 173.56 3hav s VAL 208 N -2.52 1.59 0.49 1.40 1.01 -0.44 0.42 120.40 122.34 3hav s VAL 208 Ca -0.05 -0.71 0.04 0.00 0.00 0.00 0.00 61.98 61.26 3hav s VAL 208 Cb -0.01 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.93 3hav s VAL 208 CO -0.02 0.46 0.12 0.27 0.00 0.00 0.00 175.10 175.93 3hav s ILE 209 N 0.81 1.59 -0.49 2.22 -4.36 -0.14 -4.14 121.20 116.69 3hav s ILE 209 Ca -0.10 -1.83 -0.15 0.00 -0.26 0.00 0.00 60.65 58.31 3hav s ILE 209 Cb -0.16 -2.42 0.02 0.00 1.25 0.00 0.00 42.46 41.15 3hav s ILE 209 CO 0.01 0.00 0.62 0.47 0.24 0.00 0.00 174.94 176.28 3hav n ASP 210 N -1.33 -7.74 -1.95 4.36 8.00 -1.26 -4.79 116.55 111.83 3hav n ASP 210 Ca -0.10 0.38 -0.08 0.00 0.71 0.00 0.00 54.79 55.69 3hav n ASP 210 Cb 0.66 -5.10 0.28 0.00 -0.02 0.00 0.00 41.12 36.93 3hav n ASP 210 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3hav n PHE 211 N -0.56 2.43 -0.05 1.24 0.99 -1.26 -4.66 117.46 115.59 3hav n PHE 211 Ca 0.08 -1.33 0.09 0.00 -0.00 0.00 0.00 57.45 56.29 3hav n PHE 211 Cb 0.48 -0.71 0.48 0.00 -1.00 0.00 0.00 39.48 38.73 3hav n PHE 211 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 3hav h GLY 212 N 2.25 0.57 -3.07 1.37 0.00 -1.91 -1.70 103.07 100.57 3hav h GLY 212 Ca 0.32 -0.18 -0.08 0.00 0.00 0.00 0.00 47.33 47.39 3hav h GLY 212 CO 0.77 0.14 0.08 1.34 0.00 0.00 0.00 176.54 178.87 3hav n ASP 213 N -4.47 4.89 -4.60 0.19 2.03 -1.26 -4.83 116.55 108.49 3hav n ASP 213 Ca 0.07 -3.09 -0.30 0.00 0.52 0.00 0.00 54.79 51.99 3hav n ASP 213 Cb 0.25 -0.67 0.20 0.00 -0.72 0.00 0.00 41.12 40.18 3hav n ASP 213 CO 0.00 0.00 0.00 0.72 -1.92 0.00 0.00 177.20 176.00 3hav s PHE 214 N -2.89 1.52 0.17 -0.67 -0.71 -0.64 -4.63 117.98 110.13 3hav s PHE 214 Ca 0.52 1.53 -0.23 0.00 -1.04 0.00 0.00 56.93 57.71 3hav s PHE 214 Cb 0.41 -3.23 0.07 0.00 -1.21 0.00 0.00 43.02 39.06 3hav s PHE 214 CO 0.13 -3.26 1.01 0.54 -1.34 0.00 0.00 175.22 172.30 3hav s ASN 215 N -2.62 -0.07 -0.36 1.98 2.20 -0.92 -5.01 114.94 110.13 3hav s ASN 215 Ca 0.67 -0.57 -0.09 0.00 -0.94 0.00 0.00 52.86 51.93 3hav s ASN 215 Cb -0.24 0.50 0.03 0.00 -2.00 0.00 0.00 41.25 39.54 3hav s ASN 215 CO 0.61 -0.96 0.17 -0.69 -2.94 0.00 0.00 177.10 173.29 3hav s VAL 216 N -2.64 4.31 0.00 3.54 1.01 -0.49 -0.95 120.40 125.18 3hav s VAL 216 Ca 0.17 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.21 3hav s VAL 216 Cb -0.02 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.95 3hav s VAL 216 CO 0.04 -0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.54 3hav n GLY 217 N 4.94 1.20 3.69 4.51 0.00 0.61 -2.65 105.19 117.48 3hav n GLY 217 Ca -0.12 -0.18 -0.51 0.00 0.00 0.00 0.00 46.02 45.22 3hav n GLY 217 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3hav n ASP 218 N 0.00 3.11 0.29 1.61 4.64 -1.26 -0.56 116.55 124.38 3hav n ASP 218 Ca 0.00 1.01 0.17 0.00 -1.38 0.00 0.00 54.79 54.59 3hav n ASP 218 Cb 0.00 -1.31 0.87 0.00 -1.04 0.00 0.00 41.12 39.64 3hav n ASP 218 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 3hav h PRO 219 N 8.38 0.00 0.00 -0.67 0.11 -1.89 -2.56 132.00 135.38 3hav h PRO 219 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3hav h PRO 219 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3hav h PRO 219 CO 0.94 0.05 0.00 -0.44 -0.21 0.00 0.00 178.00 178.35 3hav h ASP 220 N 0.00 0.00 0.14 -2.05 3.32 -1.99 -2.94 116.42 112.91 3hav h ASP 220 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3hav h ASP 220 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3hav h ASP 220 CO 0.01 0.00 0.00 0.78 -1.72 0.00 0.00 179.24 178.31 3hav h ASN 221 N 0.00 0.00 -0.35 6.45 -0.26 -1.84 -0.40 115.58 119.18 3hav h ASN 221 Ca 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.74 3hav h ASN 221 Cb 0.60 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.86 3hav h ASN 221 CO 0.00 0.00 0.00 0.47 -1.06 0.00 0.00 177.43 176.84 3hav n ASP 222 N -3.00 2.21 -0.00 5.81 10.43 -1.11 -3.48 116.55 127.40 3hav n ASP 222 Ca -0.02 -2.09 0.00 0.00 2.57 0.00 0.00 54.79 55.25 3hav n ASP 222 Cb 0.10 -0.31 -0.00 0.00 1.84 0.00 0.00 41.12 42.75 3hav n ASP 222 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 3hav n PHE 223 N 0.51 0.00 -0.33 1.24 3.01 -0.17 -4.74 117.46 117.00 3hav n PHE 223 Ca 0.12 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.62 3hav n PHE 223 Cb 0.39 0.00 0.21 0.00 -0.01 0.00 0.00 39.48 40.07 3hav n PHE 223 CO 0.00 0.00 0.00 -0.07 1.01 0.00 0.00 176.76 177.70 3hav h LEU 224 N 0.00 0.96 0.09 4.37 3.38 -1.58 -0.69 115.31 121.85 3hav h LEU 224 Ca 0.00 0.01 -0.29 0.00 0.09 0.00 0.00 57.88 57.68 3hav h LEU 224 Cb 0.00 -0.20 0.03 0.00 0.09 0.00 0.00 40.66 40.58 3hav h LEU 224 CO 0.00 0.62 -1.19 0.00 0.09 0.00 0.00 178.44 177.96 3hav h LEU 226 N 0.29 0.00 -3.75 0.00 3.38 -1.68 -2.99 115.31 110.56 3hav h LEU 226 Ca -0.18 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.31 3hav h LEU 226 Cb 1.86 0.00 -0.27 0.00 0.09 0.00 0.00 40.66 42.34 3hav h LEU 226 CO 0.23 0.33 0.16 0.18 0.09 0.00 0.00 178.44 179.43 3hav n LEU 227 N -4.12 5.86 -4.98 1.67 4.77 -0.30 -3.98 117.00 115.93 3hav n LEU 227 Ca -0.02 -4.15 -0.20 0.00 -0.03 0.00 0.00 56.01 51.60 3hav n LEU 227 Cb 0.37 -0.71 0.02 0.00 -2.33 0.00 0.00 43.42 40.78 3hav n LEU 227 CO 0.38 1.50 0.26 1.51 -1.33 0.00 0.00 177.39 179.72 3hav s ASP 228 N -2.38 5.58 0.24 -1.43 1.47 -1.13 -4.50 116.67 114.52 3hav s ASP 228 Ca 0.55 -0.04 0.25 0.00 1.18 0.00 0.00 52.55 54.48 3hav s ASP 228 Cb 0.45 -1.04 0.56 0.00 -0.34 0.00 0.00 42.92 42.55 3hav s ASP 228 CO 0.02 -0.87 1.60 0.00 0.68 0.00 0.00 175.17 176.60 3hav n SER 230 N -2.43 -2.90 -0.01 0.00 2.88 -1.26 -4.99 113.62 104.91 3hav n SER 230 Ca 0.04 -0.63 0.00 0.00 -1.33 0.00 0.00 58.87 56.95 3hav n SER 230 Cb 0.46 -0.61 0.00 0.00 -0.75 0.00 0.00 64.21 63.31 3hav n SER 230 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 3hav n THR 231 N -4.53 0.24 0.61 2.46 5.66 -1.26 -4.74 114.28 112.71 3hav n THR 231 Ca 0.09 -0.62 0.06 0.00 -3.05 0.00 0.00 64.05 60.53 3hav n THR 231 Cb 0.37 0.88 0.32 0.00 -1.55 0.00 0.00 70.33 70.35 3hav n THR 231 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 3hav n ASP 232 N -0.10 0.00 0.00 1.09 10.43 -1.26 -4.61 116.55 122.10 3hav n ASP 232 Ca 0.00 0.06 0.00 0.00 2.57 0.00 0.00 54.79 57.43 3hav n ASP 232 Cb 0.07 -0.26 0.00 0.00 1.84 0.00 0.00 41.12 42.77 3hav n ASP 232 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 3hav n ASP 233 N -1.26 0.00 0.00 -2.24 8.00 -1.26 -4.61 116.55 115.18 3hav n ASP 233 Ca 0.06 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.56 3hav n ASP 233 Cb 0.09 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 3hav n ASP 233 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3hav n PHE 234 N 0.00 0.00 0.00 1.24 0.99 -1.26 -3.36 117.46 115.07 3hav n PHE 234 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 57.45 57.43 3hav n PHE 234 Cb 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.48 3hav n PHE 234 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3hav n GLY 235 N -0.02 1.88 0.27 1.37 0.00 -1.26 -4.43 105.19 103.00 3hav n GLY 235 Ca 0.00 -1.95 0.15 0.00 0.00 0.00 0.00 46.02 44.22 3hav n GLY 235 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hav h LYS 236 N 0.00 0.00 -0.11 1.61 1.57 -1.76 -2.51 116.57 115.38 3hav h LYS 236 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3hav h LYS 236 Cb 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.31 3hav h LYS 236 CO 0.00 0.08 0.05 0.93 -0.57 0.00 0.00 179.45 179.94 3hav h GLU 237 N 0.00 0.16 -0.23 3.15 3.07 -1.88 0.76 114.58 119.60 3hav h GLU 237 Ca -0.00 -0.03 -0.05 0.00 -0.50 0.00 0.00 59.36 58.78 3hav h GLU 237 Cb 0.40 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.27 3hav h GLU 237 CO 0.01 0.25 -0.09 0.35 -1.40 0.00 0.00 179.01 178.13 3hav h PHE 238 N 0.03 0.39 0.51 4.33 3.04 -1.71 -1.51 116.94 122.03 3hav h PHE 238 Ca 0.04 -0.04 -0.02 0.00 3.98 0.00 0.00 57.97 61.92 3hav h PHE 238 Cb 0.15 -0.11 -0.00 0.00 2.56 0.00 0.00 35.95 38.55 3hav h PHE 238 CO -0.02 0.46 -0.31 0.78 -2.02 0.00 0.00 178.31 177.20 3hav h GLY 239 N 0.80 -0.83 0.40 2.40 0.00 -0.94 -0.21 103.07 104.69 3hav h GLY 239 Ca 0.07 0.34 0.10 0.00 0.00 0.00 0.00 47.33 47.85 3hav h GLY 239 CO 0.02 -0.30 0.32 3.21 0.00 0.00 0.00 176.54 179.79 3hav h ARG 240 N -0.78 0.52 -0.57 4.80 -0.00 -0.70 0.28 114.38 117.93 3hav h ARG 240 Ca -0.06 -0.03 0.08 0.00 -0.50 0.00 0.00 59.98 59.47 3hav h ARG 240 Cb 0.63 -0.12 -0.03 0.00 0.00 0.00 0.00 29.97 30.45 3hav h ARG 240 CO 0.07 0.34 0.38 -0.22 0.00 0.00 0.00 179.97 180.54 3hav h LYS 241 N 0.54 0.43 -0.04 0.04 3.64 -0.86 0.45 116.57 120.77 3hav h LYS 241 Ca 0.35 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.55 3hav h LYS 241 Cb 0.42 -0.10 0.01 0.00 -0.41 0.00 0.00 32.23 32.15 3hav h LYS 241 CO -0.30 0.28 -0.61 0.28 -2.27 0.00 0.00 179.45 176.83 3hav h VAL 242 N 0.44 1.39 -0.62 2.00 2.07 0.68 -2.33 116.25 119.88 3hav h VAL 242 Ca 0.26 -2.01 0.03 0.00 0.82 0.00 0.00 66.70 65.79 3hav h VAL 242 Cb 0.44 2.44 -0.03 0.00 -1.52 0.00 0.00 31.29 32.61 3hav h VAL 242 CO -0.07 0.59 0.41 -0.07 0.02 0.00 0.00 177.57 178.45 3hav h LEU 243 N 0.02 0.65 0.66 2.57 3.38 0.27 0.41 115.31 123.27 3hav h LEU 243 Ca -0.07 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 3hav h LEU 243 Cb 1.29 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.89 3hav h LEU 243 CO 0.12 0.45 -0.32 0.11 0.09 0.00 0.00 178.44 178.89 3hav h LYS 244 N 0.76 -0.86 -0.64 1.13 1.57 -0.10 -2.70 116.57 115.73 3hav h LYS 244 Ca 0.24 0.06 0.09 0.00 -1.87 0.00 0.00 60.65 59.17 3hav h LYS 244 Cb 0.03 0.20 -0.04 0.00 0.08 0.00 0.00 32.23 32.49 3hav h LYS 244 CO -0.06 -0.57 0.42 1.88 -0.57 0.00 0.00 179.45 180.55 3hav h TYR 245 N -0.89 0.54 0.00 -1.35 -1.99 -1.14 0.11 116.97 112.25 3hav h TYR 245 Ca -0.09 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.65 3hav h TYR 245 Cb 0.69 -0.18 0.00 0.00 2.00 0.00 0.00 36.73 39.24 3hav h TYR 245 CO 0.07 0.27 0.00 -0.92 -0.00 0.00 0.00 178.16 177.58 3hav h TYR 246 N 0.52 0.00 -3.23 4.88 5.03 -0.07 -3.46 116.97 120.63 3hav h TYR 246 Ca 0.29 0.00 -0.37 0.00 2.58 0.00 0.00 58.73 61.23 3hav h TYR 246 Cb 0.45 0.00 0.01 0.00 1.55 0.00 0.00 36.73 38.74 3hav h TYR 246 CO -0.00 0.00 -0.51 1.04 -1.32 0.00 0.00 178.16 177.37 3hav n GLN 247 N -2.86 -2.70 -1.50 1.82 6.02 0.39 -4.95 117.38 113.59 3hav n GLN 247 Ca -0.02 0.87 -0.36 0.00 -0.01 0.00 0.00 57.00 57.48 3hav n GLN 247 Cb 0.12 -5.46 0.08 0.00 1.02 0.00 0.00 30.24 25.99 3hav n GLN 247 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 3hav n HIS 248 N -4.17 0.99 -0.07 1.08 -0.00 -1.05 -4.95 115.22 107.05 3hav n HIS 248 Ca -0.17 0.41 -0.10 0.00 0.46 0.00 0.00 57.72 58.32 3hav n HIS 248 Cb 0.64 -2.14 -0.15 0.00 -0.12 0.00 0.00 29.99 28.23 3hav n HIS 248 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 3hav n LYS 249 N -1.69 0.67 -3.19 1.57 5.02 -1.26 -4.50 118.16 114.78 3hav n LYS 249 Ca 0.14 0.13 -0.26 0.00 -2.02 0.00 0.00 58.31 56.30 3hav n LYS 249 Cb 0.49 -1.64 -0.06 0.00 -0.02 0.00 0.00 35.03 33.80 3hav n LYS 249 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hav n ALA 250 N -2.69 4.06 0.20 7.82 0.00 -1.26 -4.92 120.51 123.72 3hav n ALA 250 Ca -0.27 -4.55 0.12 0.00 0.00 0.00 0.00 53.44 48.74 3hav n ALA 250 Cb 1.11 -0.82 0.63 0.00 0.00 0.00 0.00 19.45 20.36 3hav n ALA 250 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3hav h PRO 251 N 3.58 0.00 0.09 0.00 0.11 -1.95 0.24 132.00 134.07 3hav h PRO 251 Ca 0.15 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.95 3hav h PRO 251 Cb 0.63 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.72 3hav h PRO 251 CO 0.78 0.00 -1.70 0.93 -0.21 0.00 0.00 178.00 177.80 3hav h GLU 252 N 0.00 0.19 -0.89 1.05 5.08 -1.98 -3.30 114.58 114.74 3hav h GLU 252 Ca 0.00 -0.33 0.00 0.00 -1.00 0.00 0.00 59.36 58.03 3hav h GLU 252 Cb 0.20 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.53 3hav h GLU 252 CO 0.00 1.00 0.56 0.28 -1.00 0.00 0.00 179.01 179.85 3hav h VAL 253 N 0.05 1.24 -0.27 3.13 2.07 -1.36 -2.18 116.25 118.93 3hav h VAL 253 Ca -0.30 -0.48 0.01 0.00 0.82 0.00 0.00 66.70 66.75 3hav h VAL 253 Cb 2.02 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 3hav h VAL 253 CO 0.12 0.24 0.15 0.00 0.02 0.00 0.00 177.57 178.10 3hav h ALA 254 N 1.31 0.33 -0.64 1.67 0.00 -1.66 -1.99 119.26 118.28 3hav h ALA 254 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 3hav h ALA 254 Cb -0.09 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 3hav h ALA 254 CO -0.06 -0.24 0.41 0.93 0.00 0.00 0.00 179.25 180.28 3hav h GLU 255 N 0.31 0.86 0.41 0.00 5.08 -1.55 -1.85 114.58 117.83 3hav h GLU 255 Ca 0.11 -0.06 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 3hav h GLU 255 Cb 0.01 -0.19 -0.00 0.00 0.50 0.00 0.00 28.75 29.07 3hav h GLU 255 CO -0.06 0.59 -0.25 0.00 -1.00 0.00 0.00 179.01 178.29 3hav h ARG 256 N 0.87 -0.60 -1.02 2.33 2.47 -1.18 0.38 114.38 117.62 3hav h ARG 256 Ca 0.23 0.04 0.26 0.00 -1.26 0.00 0.00 59.98 59.25 3hav h ARG 256 Cb -0.06 0.14 -0.08 0.00 -1.65 0.00 0.00 29.97 28.31 3hav h ARG 256 CO -0.05 -0.40 0.67 0.87 0.56 0.00 0.00 179.97 181.62 3hav h LYS 257 N -0.63 0.34 0.30 0.04 1.57 -1.23 0.43 116.57 117.39 3hav h LYS 257 Ca -0.05 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 3hav h LYS 257 Cb 0.51 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.75 3hav h LYS 257 CO 0.05 0.22 -0.14 0.00 -0.57 0.00 0.00 179.45 179.01 3hav h ALA 258 N 1.60 -0.40 -0.51 3.86 0.00 -0.46 -0.07 119.26 123.28 3hav h ALA 258 Ca 0.56 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.32 3hav h ALA 258 Cb 1.52 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 19.43 3hav h ALA 258 CO -0.24 -0.51 0.28 0.93 0.00 0.00 0.00 179.25 179.71 3hav h GLU 259 N -0.83 0.53 0.00 0.00 5.08 -0.05 -0.17 114.58 119.14 3hav h GLU 259 Ca -0.04 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3hav h GLU 259 Cb 0.52 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 3hav h GLU 259 CO 0.07 0.35 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.30 3hav h LEU 260 N 0.55 0.00 -0.83 1.33 3.38 -0.22 -0.75 115.31 118.77 3hav h LEU 260 Ca 0.22 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.07 3hav h LEU 260 Cb 0.09 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.83 3hav h LEU 260 CO -0.13 0.06 -0.37 -1.13 0.09 0.00 0.00 178.44 176.95 3hav h ASN 261 N 0.00 0.44 -0.29 -0.43 -1.24 0.79 -2.88 115.58 111.97 3hav h ASN 261 Ca -0.00 -0.18 -0.15 0.00 0.71 0.00 0.00 56.30 56.67 3hav h ASN 261 Cb 0.10 -0.12 -0.00 0.00 0.73 0.00 0.00 38.32 39.03 3hav h ASN 261 CO 0.01 0.78 -0.42 0.44 -1.29 0.00 0.00 177.43 176.95 3hav h ASP 262 N 0.36 0.88 0.56 1.15 3.45 -0.23 -2.43 116.42 120.15 3hav h ASP 262 Ca 0.04 -0.51 0.00 0.00 0.43 0.00 0.00 57.03 56.99 3hav h ASP 262 Cb 0.82 -0.25 0.00 0.00 -0.56 0.00 0.00 39.33 39.34 3hav h ASP 262 CO 0.07 1.21 0.00 0.55 -1.57 0.00 0.00 179.24 179.50 3hav n VAL 263 N -4.13 0.97 0.33 -1.35 3.14 -0.92 -1.10 118.33 115.28 3hav n VAL 263 Ca -0.04 0.27 0.12 0.00 -2.96 0.00 0.00 64.34 61.73 3hav n VAL 263 Cb 0.55 -1.12 0.13 0.00 -1.06 0.00 0.00 33.84 32.35 3hav n VAL 263 CO 0.00 0.00 0.00 0.22 -6.46 0.00 0.00 176.83 170.59 3hav h TYR 264 N 0.00 0.00 -0.87 1.45 3.20 -1.21 -3.36 116.97 116.17 3hav h TYR 264 Ca 0.00 0.00 0.21 0.00 3.14 0.00 0.00 58.73 62.08 3hav h TYR 264 Cb 0.28 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.49 3hav h TYR 264 CO 0.00 0.00 0.59 2.35 -1.64 0.00 0.00 178.16 179.46 3hav h TRP 265 N 0.00 0.37 -0.02 -3.82 -0.00 -0.87 -1.65 115.95 109.95 3hav h TRP 265 Ca 0.00 0.01 0.01 0.00 -0.00 0.00 0.00 58.89 58.91 3hav h TRP 265 Cb 0.89 -0.11 -0.02 0.00 -0.00 0.00 0.00 29.16 29.91 3hav h TRP 265 CO 0.00 0.10 -0.21 0.66 -0.00 0.00 0.00 178.44 178.99 3hav h SER 266 N 0.28 -0.66 -0.87 2.65 4.64 -1.76 1.61 113.55 119.45 3hav h SER 266 Ca 0.44 0.08 0.10 0.00 -0.47 0.00 0.00 61.79 61.94 3hav h SER 266 Cb 1.29 0.25 -0.12 0.00 -0.31 0.00 0.00 62.40 63.51 3hav h SER 266 CO -0.12 -0.20 -0.44 -0.38 -0.87 0.00 0.00 176.83 174.82 3hav n ILE 267 N -3.67 -0.54 0.14 0.95 5.41 -0.65 -2.39 119.36 118.62 3hav n ILE 267 Ca -0.03 2.07 -0.14 0.00 1.00 0.00 0.00 62.75 65.66 3hav n ILE 267 Cb 0.15 -2.62 -0.08 0.00 -0.71 0.00 0.00 39.64 36.38 3hav n ILE 267 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 3hav h ASP 268 N 0.00 -0.31 -1.86 4.38 3.32 -0.94 0.95 116.42 121.97 3hav h ASP 268 Ca 0.20 -0.16 0.55 0.00 0.02 0.00 0.00 57.03 57.65 3hav h ASP 268 Cb 0.42 0.08 -0.09 0.00 0.22 0.00 0.00 39.33 39.96 3hav h ASP 268 CO -0.83 -0.00 1.32 -0.61 -1.72 0.00 0.00 179.24 177.39 3hav h GLN 269 N -0.62 0.00 0.00 3.56 4.15 0.27 0.11 115.11 122.57 3hav h GLN 269 Ca -0.04 -0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.29 3hav h GLN 269 Cb 0.45 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 3hav h GLN 269 CO 0.06 0.00 -1.40 -0.89 -1.93 0.00 0.00 178.83 174.67 3hav n ILE 270 N -4.10 0.36 -0.47 2.39 5.41 -1.16 -4.64 119.36 117.16 3hav n ILE 270 Ca 0.44 -0.24 0.39 0.00 1.00 0.00 0.00 62.75 64.33 3hav n ILE 270 Cb 1.93 -0.70 0.67 0.00 -0.71 0.00 0.00 39.64 40.83 3hav n ILE 270 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 176.55 176.26 3hav h ILE 271 N 0.00 0.12 0.00 1.39 2.10 0.36 0.64 117.51 122.12 3hav h ILE 271 Ca -0.14 -0.02 -0.05 0.00 1.08 0.00 0.00 64.86 65.72 3hav h ILE 271 Cb 1.24 0.04 -0.02 0.00 -1.09 0.00 0.00 36.82 36.99 3hav h ILE 271 CO 0.01 0.01 -0.07 -1.22 -1.08 0.00 0.00 178.15 175.80 3hav n TYR 272 N -4.60 0.00 -0.53 2.19 4.02 -1.17 -4.44 117.16 112.64 3hav n TYR 272 Ca 0.38 -0.96 -0.04 0.00 -0.01 0.00 0.00 57.90 57.26 3hav n TYR 272 Cb 1.49 -0.75 -0.06 0.00 -0.02 0.00 0.00 39.34 40.00 3hav n TYR 272 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hav n GLY 273 N 1.89 2.16 0.01 2.72 0.00 0.22 -5.14 105.19 107.05 3hav n GLY 273 Ca 0.11 -0.43 0.15 0.00 0.00 0.00 0.00 46.02 45.85 3hav n GLY 273 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3hav n TYR 274 N 2.16 0.00 0.00 1.61 4.01 -1.26 -5.18 117.16 118.50 3hav n TYR 274 Ca 0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.89 3hav n TYR 274 Cb 0.50 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 39.35 3hav n TYR 274 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3hav n GLY 285 N 1.19 -0.22 0.21 2.72 0.00 -1.26 -5.27 105.19 102.56 3hav n GLY 285 Ca 0.17 0.11 -0.06 0.00 0.00 0.00 0.00 46.02 46.25 3hav n GLY 285 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3hav h VAL 286 N 0.00 0.00 -0.36 1.61 2.07 -1.98 -1.79 116.25 115.80 3hav h VAL 286 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3hav h VAL 286 Cb 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.77 3hav h VAL 286 CO 0.00 0.00 0.00 -1.20 0.02 0.00 0.00 177.57 176.39 3hav n SER 287 N -4.09 2.61 -0.35 0.57 7.64 -1.26 -4.24 113.62 114.49 3hav n SER 287 Ca 0.00 -1.90 0.07 0.00 1.01 0.00 0.00 58.87 58.06 3hav n SER 287 Cb 0.14 -0.23 0.25 0.00 -1.01 0.00 0.00 64.21 63.35 3hav n SER 287 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 3hav h GLU 288 N 3.19 0.95 -0.15 1.43 4.39 -1.73 0.11 114.58 122.78 3hav h GLU 288 Ca 0.00 -0.06 -0.15 0.00 0.34 0.00 0.00 59.36 59.50 3hav h GLU 288 Cb 0.71 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 3hav h GLU 288 CO 0.00 0.63 -0.53 1.37 -1.16 0.00 0.00 179.01 179.32 3hav h LEU 289 N 0.98 0.48 -0.99 1.33 -0.00 -1.74 -3.04 115.31 112.32 3hav h LEU 289 Ca 0.49 -0.25 -0.06 0.00 -0.00 0.00 0.00 57.88 58.06 3hav h LEU 289 Cb 0.48 -0.14 -0.02 0.00 -0.00 0.00 0.00 40.66 40.99 3hav h LEU 289 CO -0.25 0.92 0.06 -0.07 -0.00 0.00 0.00 178.44 179.10 3hav h LEU 290 N 0.33 0.75 0.00 0.17 3.38 -1.22 -2.65 115.31 116.07 3hav h LEU 290 Ca 0.01 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3hav h LEU 290 Cb 1.05 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3hav h LEU 290 CO 0.09 0.78 0.00 1.67 0.09 0.00 0.00 178.44 181.07 3hav n GLN 291 N -4.25 0.06 -4.26 1.13 -0.06 0.18 -4.71 117.38 105.47 3hav n GLN 291 Ca 0.03 0.15 -0.26 0.00 -2.00 0.00 0.00 57.00 54.92 3hav n GLN 291 Cb 0.26 -1.50 -0.08 0.00 -4.06 0.00 0.00 30.24 24.86 3hav n GLN 291 CO 0.00 0.00 0.00 -0.08 -0.20 0.00 0.00 177.06 176.78 3hav s THR 292 N -2.91 3.42 0.31 1.69 -1.32 -1.00 -5.10 115.64 110.73 3hav s THR 292 Ca 0.11 -1.62 -0.10 0.00 -1.21 0.00 0.00 61.69 58.87 3hav s THR 292 Cb 0.13 -2.73 -0.07 0.00 -1.51 0.00 0.00 72.50 68.32 3hav s THR 292 CO 0.34 -0.15 0.66 -1.10 -2.21 0.00 0.00 174.62 172.16 3hav s GLN 293 N -3.01 3.82 0.00 7.08 -0.21 -1.26 -4.93 119.66 121.15 3hav s GLN 293 Ca 0.27 0.39 0.09 0.00 0.02 0.00 0.00 55.36 56.12 3hav s GLN 293 Cb -0.09 -2.52 0.47 0.00 1.00 0.00 0.00 33.01 31.87 3hav s GLN 293 CO 0.17 0.16 1.31 0.00 -2.12 0.00 0.00 175.29 174.81 3hav n ALA 294 N -0.65 2.54 0.66 6.09 0.00 -1.26 -2.68 120.51 125.21 3hav n ALA 294 Ca 0.01 -0.11 0.07 0.00 0.00 0.00 0.00 53.44 53.42 3hav n ALA 294 Cb 0.53 -1.11 -0.09 0.00 0.00 0.00 0.00 19.45 18.78 3hav n ALA 294 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3hav n GLU 295 N -0.50 1.88 0.00 0.00 2.13 -1.26 -4.28 120.64 118.61 3hav n GLU 295 Ca 0.07 -0.01 0.07 0.00 0.66 0.00 0.00 57.16 57.95 3hav n GLU 295 Cb 0.06 -1.23 0.44 0.00 0.27 0.00 0.00 31.44 30.98 3hav n GLU 295 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 3hav n MET 296 N -1.41 0.57 -1.27 5.31 2.81 -1.09 -3.58 117.12 118.46 3hav n MET 296 Ca 0.02 0.00 -0.22 0.00 -1.81 0.00 0.00 57.70 55.69 3hav n MET 296 Cb 0.25 -1.41 0.13 0.00 -0.71 0.00 0.00 33.22 31.48 3hav n MET 296 CO 0.00 0.00 0.00 1.19 1.51 0.00 0.00 175.97 178.67 3hav n PHE 297 N -0.91 2.57 -4.38 2.03 3.01 -1.26 -4.92 117.46 113.60 3hav n PHE 297 Ca 0.11 -2.22 -0.22 0.00 1.01 0.00 0.00 57.45 56.13 3hav n PHE 297 Cb 0.05 -0.91 -0.11 0.00 -0.01 0.00 0.00 39.48 38.51 3hav n PHE 297 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3hav s ILE 298 N -3.96 2.01 0.00 4.37 1.09 -1.24 -4.37 121.20 119.11 3hav s ILE 298 Ca 0.56 -2.12 0.00 0.00 -1.10 0.00 0.00 60.65 57.98 3hav s ILE 298 Cb 0.46 -2.04 0.00 0.00 -1.06 0.00 0.00 42.46 39.83 3hav s ILE 298 CO 0.03 -0.39 0.00 0.33 -0.10 0.00 0.00 174.94 174.82