#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 0.00 -1.71 3.17 0.31 -1.26 -4.56 118.33 114.28 3hav n VAL 2 Ca 0.00 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.94 3hav n VAL 2 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 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 4.97 0.17 4.52 2.47 -1.26 -4.96 114.94 120.85 3hav s ASN 3 Ca 0.00 1.12 0.08 0.00 0.42 0.00 0.00 52.86 54.48 3hav s ASN 3 Cb 0.00 -2.51 -0.04 0.00 -1.45 0.00 0.00 41.25 37.25 3hav s ASN 3 CO 0.00 -2.46 -0.05 -0.22 -3.72 0.00 0.00 177.10 170.64 3hav s LEU 4 N 10.20 3.13 0.06 3.21 0.20 -1.26 -5.07 118.68 129.15 3hav s LEU 4 Ca 0.90 -0.48 -0.32 0.00 0.69 0.00 0.00 54.13 54.92 3hav s LEU 4 Cb -0.20 -1.81 -0.11 0.00 -0.43 0.00 0.00 46.19 43.64 3hav s LEU 4 CO 0.28 0.10 1.88 -0.67 -0.29 0.00 0.00 176.35 177.64 3hav n ASP 5 N 0.02 3.91 -0.27 3.68 -0.08 -1.26 -4.87 116.55 117.68 3hav n ASP 5 Ca -0.10 0.96 0.13 0.00 -1.51 0.00 0.00 54.79 54.27 3hav n ASP 5 Cb 0.55 -1.50 0.39 0.00 2.34 0.00 0.00 41.12 42.90 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 9.18 1.87 -0.19 -1.67 0.00 -1.98 0.74 119.26 127.21 3hav h ALA 6 Ca -0.48 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.31 3hav h ALA 6 Cb 1.24 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3hav h ALA 6 CO 0.94 -0.13 -0.50 1.49 0.00 0.00 0.00 179.25 181.05 3hav h GLU 7 N 0.66 0.50 -0.27 0.00 4.81 -2.00 -1.38 114.58 116.90 3hav h GLU 7 Ca 0.46 -0.29 -0.18 0.00 -0.13 0.00 0.00 59.36 59.22 3hav h GLU 7 Cb 0.80 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.21 3hav h GLU 7 CO -0.22 0.89 -0.54 0.82 -0.73 0.00 0.00 179.01 179.23 3hav h ILE 8 N 0.40 1.28 -0.68 2.32 1.08 -1.51 -2.96 117.51 117.44 3hav h ILE 8 Ca 0.02 -1.72 -0.02 0.00 -0.39 0.00 0.00 64.86 62.74 3hav h ILE 8 Cb 1.01 1.68 -0.03 0.00 -3.07 0.00 0.00 36.82 36.41 3hav h ILE 8 CO 0.09 0.56 0.34 0.22 -0.69 0.00 0.00 178.15 178.67 3hav h TYR 9 N 0.61 0.97 -0.50 1.37 3.20 -0.78 -0.00 116.97 121.83 3hav h TYR 9 Ca 0.01 -0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.73 3hav h TYR 9 Cb 1.15 -0.30 -0.02 0.00 1.54 0.00 0.00 36.73 39.10 3hav h TYR 9 CO 0.08 0.71 -0.14 1.49 -1.64 0.00 0.00 178.16 178.66 3hav h GLU 10 N 0.94 0.96 0.04 1.82 4.81 -1.27 -1.63 114.58 120.25 3hav h GLU 10 Ca 0.24 -0.36 -0.22 0.00 -0.13 0.00 0.00 59.36 58.88 3hav h GLU 10 Cb 0.09 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 3hav h GLU 10 CO -0.03 1.03 -1.00 0.45 -0.73 0.00 0.00 179.01 178.73 3hav h HIS 11 N 0.85 0.37 -0.77 0.92 3.86 -1.41 -3.14 115.15 115.83 3hav h HIS 11 Ca 0.13 -0.23 0.00 0.00 -1.16 0.00 0.00 60.37 59.12 3hav h HIS 11 Cb 0.69 -0.03 -0.04 0.00 1.06 0.00 0.00 27.41 29.09 3hav h HIS 11 CO 0.04 1.09 0.50 1.25 0.86 0.00 0.00 177.93 181.67 3hav h LEU 12 N 0.11 0.90 0.00 2.43 6.46 -0.90 -2.41 115.31 121.89 3hav h LEU 12 Ca -0.07 -0.03 0.00 0.00 -0.12 0.00 0.00 57.88 57.66 3hav h LEU 12 Cb 1.67 -0.22 0.00 0.00 -0.73 0.00 0.00 40.66 41.37 3hav h LEU 12 CO 0.16 0.66 0.00 -3.20 -0.62 0.00 0.00 178.44 175.44 3hav n ASN 13 N -4.53 0.00 -0.07 1.25 5.15 -0.62 -1.17 115.26 115.27 3hav n ASN 13 Ca 0.07 -0.19 0.12 0.00 -0.60 0.00 0.00 54.58 53.98 3hav n ASN 13 Cb 0.02 -0.16 0.19 0.00 -0.53 0.00 0.00 39.78 39.30 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 -1.16 0.20 -0.03 1.20 5.02 -0.91 -4.22 118.16 118.26 3hav n LYS 14 Ca 0.10 -0.13 -0.03 0.00 -2.02 0.00 0.00 58.31 56.22 3hav n LYS 14 Cb 0.10 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.55 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 -1.28 2.81 -3.81 1.97 1.13 -0.31 -5.01 117.38 112.88 3hav n GLN 15 Ca 0.07 -0.00 -0.13 0.00 -1.94 0.00 0.00 57.00 54.99 3hav n GLN 15 Cb 0.34 -1.18 -0.14 0.00 0.11 0.00 0.00 30.24 29.37 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 -2.18 -0.03 -0.74 5.09 1.01 -0.68 -5.09 121.20 118.59 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 0.02 -0.12 -0.00 0.00 0.01 0.00 0.00 42.46 42.37 3hav s ILE 16 CO 0.29 0.04 1.68 -0.75 0.00 0.00 0.00 174.94 176.20 3hav s LYS 17 N 0.56 2.87 -0.04 2.79 2.20 -1.26 -3.97 119.74 122.88 3hav s LYS 17 Ca -0.04 0.03 -0.30 0.00 -0.36 0.00 0.00 55.97 55.30 3hav s LYS 17 Cb -0.06 -4.56 -0.07 0.00 -1.51 0.00 0.00 37.83 31.63 3hav s LYS 17 CO -0.02 -2.64 1.79 0.42 -0.36 0.00 0.00 175.35 174.54 3hav s ILE 18 N 7.94 3.35 -0.13 5.43 1.01 -1.26 -4.85 121.20 132.69 3hav s ILE 18 Ca 0.57 0.42 0.02 0.00 0.00 0.00 0.00 60.65 61.66 3hav s ILE 18 Cb -0.09 -3.28 -0.09 0.00 0.01 0.00 0.00 42.46 39.00 3hav s ILE 18 CO 0.12 -0.05 -0.10 0.59 0.00 0.00 0.00 174.94 175.50 3hav n ASN 19 N 7.54 2.87 -3.92 3.58 3.02 -1.26 -5.06 115.26 122.03 3hav n ASN 19 Ca 0.19 -0.06 -0.11 0.00 -0.03 0.00 0.00 54.58 54.57 3hav n ASN 19 Cb 0.42 -0.08 -0.12 0.00 -0.61 0.00 0.00 39.78 39.39 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 -2.27 0.18 -0.04 3.52 2.02 -1.26 -4.97 118.70 115.88 3hav s GLU 20 Ca -0.16 -0.30 -0.01 0.00 0.02 0.00 0.00 54.97 54.51 3hav s GLU 20 Cb 0.04 0.06 0.03 0.00 0.10 0.00 0.00 34.13 34.37 3hav s GLU 20 CO 0.33 -0.03 0.02 -0.51 0.02 0.00 0.00 175.26 175.09 3hav s LEU 21 N -0.76 0.74 0.00 1.80 1.43 -1.26 -0.75 118.68 119.88 3hav s LEU 21 Ca -0.08 -0.00 0.07 0.00 -1.03 0.00 0.00 54.13 53.08 3hav s LEU 21 Cb -0.05 -0.23 -0.02 0.00 0.03 0.00 0.00 46.19 45.92 3hav s LEU 21 CO -0.00 -0.17 -0.20 -0.13 0.23 0.00 0.00 176.35 176.08 3hav s ARG 22 N 1.56 1.57 0.29 1.70 0.52 -0.48 -4.65 118.95 119.46 3hav s ARG 22 Ca -0.02 -0.79 -0.29 0.00 -0.52 0.00 0.00 55.73 54.10 3hav s ARG 22 Cb -0.13 -1.57 -0.10 0.00 0.52 0.00 0.00 34.95 33.68 3hav s ARG 22 CO -0.03 0.42 1.23 0.71 0.02 0.00 0.00 175.30 177.65 3hav s TYR 23 N -0.57 3.29 -0.16 -0.53 1.51 -1.26 0.31 117.35 119.94 3hav s TYR 23 Ca 0.08 1.49 0.06 0.00 -1.01 0.00 0.00 57.07 57.69 3hav s TYR 23 Cb -0.08 -3.51 -0.14 0.00 -0.11 0.00 0.00 41.96 38.11 3hav s TYR 23 CO -0.00 -1.35 -0.07 1.28 -1.11 0.00 0.00 175.55 174.30 3hav n LEU 24 N 1.28 1.70 -3.55 -1.29 4.77 0.14 -4.78 117.00 115.26 3hav n LEU 24 Ca 0.01 -0.06 -0.11 0.00 -0.03 0.00 0.00 56.01 55.82 3hav n LEU 24 Cb 0.43 -0.21 -0.05 0.00 -2.33 0.00 0.00 43.42 41.26 3hav n LEU 24 CO 0.57 0.61 0.71 -0.94 -1.33 0.00 0.00 177.39 177.01 3hav s SER 25 N -5.32 -0.41 -0.05 -1.43 1.04 -1.00 -4.97 113.70 101.56 3hav s SER 25 Ca -0.17 0.37 0.02 0.00 0.48 0.00 0.00 55.95 56.65 3hav s SER 25 Cb 0.05 0.35 0.01 0.00 0.10 0.00 0.00 66.02 66.54 3hav s SER 25 CO 0.49 -0.43 -0.09 -0.44 0.98 0.00 0.00 173.24 173.74 3hav s SER 26 N -1.39 1.40 0.10 7.02 0.01 -1.26 -1.17 113.70 118.41 3hav s SER 26 Ca -0.02 -0.22 0.01 0.00 1.31 0.00 0.00 55.95 57.03 3hav s SER 26 Cb -0.00 -0.59 -0.01 0.00 0.21 0.00 0.00 66.02 65.63 3hav s SER 26 CO 0.01 0.02 0.05 0.61 0.41 0.00 0.00 173.24 174.34 3hav n GLY 27 N 3.73 3.82 0.15 3.44 0.00 -0.64 -5.03 105.19 110.66 3hav n GLY 27 Ca -0.22 -1.87 0.04 0.00 0.00 0.00 0.00 46.02 43.96 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 0.48 0.00 -0.00 1.61 5.19 -2.02 -3.36 116.42 118.31 3hav h ASP 28 Ca -0.08 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.33 3hav h ASP 28 Cb 0.32 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.83 3hav h ASP 28 CO 0.12 0.46 -0.01 0.47 -3.12 0.00 0.00 179.24 177.15 3hav n ASP 29 N -3.26 0.94 -3.62 6.45 8.00 -1.26 -4.86 116.55 118.93 3hav n ASP 29 Ca 0.02 -0.97 -0.05 0.00 0.71 0.00 0.00 54.79 54.50 3hav n ASP 29 Cb 0.69 0.19 -0.05 0.00 -0.02 0.00 0.00 41.12 41.93 3hav n ASP 29 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 3hav s SER 30 N -0.32 -0.15 0.06 -2.24 1.04 -1.26 0.22 113.70 111.05 3hav s SER 30 Ca 0.02 0.17 0.08 0.00 0.48 0.00 0.00 55.95 56.69 3hav s SER 30 Cb 0.01 0.13 -0.03 0.00 0.10 0.00 0.00 66.02 66.23 3hav s SER 30 CO 0.03 -0.14 -0.19 -1.81 0.98 0.00 0.00 173.24 172.11 3hav s ASP 31 N -1.01 3.77 -0.12 7.02 -0.00 -0.57 -1.61 116.67 124.14 3hav s ASP 31 Ca 0.05 -0.47 0.03 0.00 -0.00 0.00 0.00 52.55 52.16 3hav s ASP 31 Cb -0.01 -0.57 0.01 0.00 -0.00 0.00 0.00 42.92 42.35 3hav s ASP 31 CO -0.05 0.24 -0.21 -0.89 -0.00 0.00 0.00 175.17 174.26 3hav s THR 32 N -0.96 1.92 0.12 -1.27 2.01 -0.32 -0.24 115.64 116.89 3hav s THR 32 Ca 0.15 -0.91 0.09 0.00 0.31 0.00 0.00 61.69 61.33 3hav s THR 32 Cb -0.10 -1.69 -0.04 0.00 0.01 0.00 0.00 72.50 70.68 3hav s THR 32 CO 0.06 0.52 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.96 3hav s PHE 33 N 0.69 2.50 -0.37 4.92 0.40 0.04 0.27 117.98 126.43 3hav s PHE 33 Ca -0.11 -0.28 -0.09 0.00 -0.60 0.00 0.00 56.93 55.85 3hav s PHE 33 Cb -0.16 -1.33 0.04 0.00 0.51 0.00 0.00 43.02 42.08 3hav s PHE 33 CO 0.02 0.38 0.18 -1.17 0.70 0.00 0.00 175.22 175.32 3hav s LEU 34 N -2.14 4.63 -0.21 -0.37 0.20 0.15 -0.04 118.68 120.91 3hav s LEU 34 Ca 0.17 -1.13 -0.11 0.00 0.69 0.00 0.00 54.13 53.75 3hav s LEU 34 Cb -0.10 -1.96 -0.05 0.00 -0.43 0.00 0.00 46.19 43.65 3hav s LEU 34 CO 0.10 -0.39 0.19 0.00 -0.29 0.00 0.00 176.35 175.96 3hav n ASN 36 N 3.88 -4.65 -1.62 0.00 3.02 0.07 -0.65 115.26 115.31 3hav n ASN 36 Ca -0.14 0.38 -0.20 0.00 -0.03 0.00 0.00 54.58 54.59 3hav n ASN 36 Cb 0.52 -4.01 -0.07 0.00 -0.61 0.00 0.00 39.78 35.60 3hav n ASN 36 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3hav n GLU 37 N -1.80 -1.41 0.00 3.52 -0.58 -1.26 -4.75 120.64 114.37 3hav n GLU 37 Ca -0.15 1.17 0.00 0.00 -0.42 0.00 0.00 57.16 57.75 3hav n GLU 37 Cb 0.56 -5.54 0.00 0.00 -0.57 0.00 0.00 31.44 25.88 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 -2.49 4.99 -4.81 3.49 6.02 -0.05 -4.91 117.38 119.62 3hav n GLN 38 Ca -0.20 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 56.52 3hav n GLN 38 Cb 0.66 -0.57 -0.17 0.00 1.02 0.00 0.00 30.24 31.18 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 -0.30 1.82 -0.26 1.08 1.51 0.18 -0.01 117.35 121.36 3hav s TYR 39 Ca 0.00 -0.68 -0.12 0.00 -1.01 0.00 0.00 57.07 55.27 3hav s TYR 39 Cb 0.00 -1.27 -0.05 0.00 -0.11 0.00 0.00 41.96 40.54 3hav s TYR 39 CO 0.00 -0.30 0.22 0.08 -1.11 0.00 0.00 175.55 174.44 3hav s VAL 40 N 0.47 5.30 -0.29 0.71 1.01 0.55 0.90 120.40 129.05 3hav s VAL 40 Ca -0.14 0.28 -0.02 0.00 0.00 0.00 0.00 61.98 62.10 3hav s VAL 40 Cb -0.16 -3.56 0.05 0.00 0.00 0.00 0.00 36.38 32.71 3hav s VAL 40 CO 0.05 0.27 -0.01 -0.69 0.00 0.00 0.00 175.10 174.73 3hav s VAL 41 N 1.49 2.99 -0.28 2.92 1.01 0.94 -1.60 120.40 127.85 3hav s VAL 41 Ca 0.09 -1.32 -0.18 0.00 0.00 0.00 0.00 61.98 60.58 3hav s VAL 41 Cb -0.15 -2.68 -0.02 0.00 0.00 0.00 0.00 36.38 33.53 3hav s VAL 41 CO 0.08 -0.06 0.51 -0.54 0.00 0.00 0.00 175.10 175.09 3hav s LYS 42 N 1.27 3.96 -0.47 2.72 1.02 0.17 -0.78 119.74 127.63 3hav s LYS 42 Ca -0.04 0.19 -0.02 0.00 0.02 0.00 0.00 55.97 56.11 3hav s LYS 42 Cb -0.19 -3.69 0.12 0.00 -0.52 0.00 0.00 37.83 33.55 3hav s LYS 42 CO -0.01 -0.42 0.26 0.08 -0.92 0.00 0.00 175.35 174.34 3hav s VAL 43 N 2.32 3.33 0.48 3.17 1.01 0.67 -1.10 120.40 130.27 3hav s VAL 43 Ca 0.20 -2.35 -0.23 0.00 0.00 0.00 0.00 61.98 59.60 3hav s VAL 43 Cb -0.16 -3.26 -0.07 0.00 0.00 0.00 0.00 36.38 32.90 3hav s VAL 43 CO 0.10 -0.74 1.29 -2.84 0.00 0.00 0.00 175.10 172.91 3hav s PRO 44 N 0.77 3.57 0.00 2.72 0.02 -1.26 -1.52 135.00 139.30 3hav s PRO 44 Ca 0.11 2.08 0.02 0.00 0.02 0.00 0.00 61.00 63.23 3hav s PRO 44 Cb -0.22 -2.45 0.05 0.00 0.02 0.00 0.00 34.50 31.90 3hav s PRO 44 CO -0.04 -0.79 0.90 1.17 -0.33 0.00 0.00 177.00 177.91 3hav n LYS 45 N -0.53 1.81 -3.89 5.54 3.00 0.13 -4.89 118.16 119.34 3hav n LYS 45 Ca 0.07 -1.30 -0.11 0.00 -0.00 0.00 0.00 58.31 56.98 3hav n LYS 45 Cb 0.45 -1.05 -0.10 0.00 0.00 0.00 0.00 35.03 34.34 3hav n LYS 45 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 3hav s ARG 46 N -0.74 0.52 0.23 1.64 0.52 -1.24 -4.95 118.95 114.93 3hav s ARG 46 Ca 0.04 -0.52 -0.05 0.00 -0.52 0.00 0.00 55.73 54.68 3hav s ARG 46 Cb 0.02 0.21 0.22 0.00 0.52 0.00 0.00 34.95 35.93 3hav s ARG 46 CO 0.03 -0.13 1.72 -0.44 0.02 0.00 0.00 175.30 176.50 3hav h ASP 47 N 4.07 0.89 0.06 0.23 3.45 -1.95 -0.36 116.42 122.81 3hav h ASP 47 Ca -0.31 -0.23 -0.03 0.00 0.43 0.00 0.00 57.03 56.89 3hav h ASP 47 Cb 1.19 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 39.72 3hav h ASP 47 CO 0.44 0.94 -0.10 0.77 -1.57 0.00 0.00 179.24 179.72 3hav h SER 48 N 0.86 0.09 0.12 6.45 4.64 -1.99 0.11 113.55 123.83 3hav h SER 48 Ca 0.16 -0.01 -0.22 0.00 -0.47 0.00 0.00 61.79 61.25 3hav h SER 48 Cb 0.48 -0.02 0.02 0.00 -0.31 0.00 0.00 62.40 62.57 3hav h SER 48 CO 0.02 0.20 -0.95 0.58 -0.87 0.00 0.00 176.83 175.81 3hav h VAL 49 N 0.09 1.41 -0.73 0.95 2.07 -1.78 -2.26 116.25 116.00 3hav h VAL 49 Ca 0.02 -2.43 0.14 0.00 0.82 0.00 0.00 66.70 65.25 3hav h VAL 49 Cb 0.24 2.92 -0.10 0.00 -1.52 0.00 0.00 31.29 32.83 3hav h VAL 49 CO 0.01 0.71 0.27 0.03 0.02 0.00 0.00 177.57 178.62 3hav h ARG 50 N -0.09 0.40 -0.44 1.57 3.08 -0.66 0.34 114.38 118.58 3hav h ARG 50 Ca -0.15 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 59.84 3hav h ARG 50 Cb 1.70 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 31.64 3hav h ARG 50 CO 0.18 0.26 0.15 0.82 -1.07 0.00 0.00 179.97 180.31 3hav h ILE 51 N 0.41 1.21 -0.36 2.04 2.04 -0.97 -0.91 117.51 120.97 3hav h ILE 51 Ca 0.40 -0.69 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 3hav h ILE 51 Cb 0.62 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 3hav h ILE 51 CO -0.41 0.25 0.12 -1.28 0.00 0.00 0.00 178.15 176.83 3hav h SER 52 N 0.56 0.52 -0.62 1.72 0.87 -0.70 -2.87 113.55 113.03 3hav h SER 52 Ca 0.14 -0.19 -0.08 0.00 -1.23 0.00 0.00 61.79 60.43 3hav h SER 52 Cb 0.24 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.04 3hav h SER 52 CO -0.01 0.57 0.07 1.56 -0.53 0.00 0.00 176.83 178.49 3hav h GLN 53 N 0.43 1.06 -0.35 2.24 4.20 -0.27 -1.62 115.11 120.80 3hav h GLN 53 Ca 0.12 -0.30 0.05 0.00 0.06 0.00 0.00 58.65 58.58 3hav h GLN 53 Cb 0.23 -0.12 -0.05 0.00 0.30 0.00 0.00 27.48 27.85 3hav h GLN 53 CO -0.01 1.00 0.07 -0.22 -0.67 0.00 0.00 178.83 179.00 3hav h LYS 54 N 0.99 0.18 0.00 1.46 3.64 -1.03 0.03 116.57 121.83 3hav h LYS 54 Ca 0.19 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.41 3hav h LYS 54 Cb 0.47 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 3hav h LYS 54 CO 0.02 0.12 -0.71 0.07 -2.27 0.00 0.00 179.45 176.67 3hav h ARG 55 N 0.18 0.00 -0.59 1.90 0.11 -1.42 -2.05 114.38 112.51 3hav h ARG 55 Ca 0.17 0.00 -0.00 0.00 0.10 0.00 0.00 59.98 60.24 3hav h ARG 55 Cb 0.19 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.24 3hav h ARG 55 CO -0.22 0.71 0.35 1.49 0.10 0.00 0.00 179.97 182.40 3hav h GLU 56 N 0.00 0.80 0.00 0.08 4.81 -0.69 -2.05 114.58 117.53 3hav h GLU 56 Ca -0.01 -0.08 -0.06 0.00 -0.13 0.00 0.00 59.36 59.08 3hav h GLU 56 Cb 1.32 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.52 3hav h GLU 56 CO 0.09 0.58 -0.30 0.74 -0.73 0.00 0.00 179.01 179.39 3hav h PHE 57 N 0.80 0.00 0.00 0.92 -1.00 -0.87 -2.61 116.94 114.17 3hav h PHE 57 Ca 0.21 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.87 3hav h PHE 57 Cb -0.01 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.53 3hav h PHE 57 CO -0.02 0.30 -0.56 0.93 -1.61 0.00 0.00 178.31 177.36 3hav h GLU 58 N 0.00 0.00 -0.48 1.51 5.08 -1.19 -2.28 114.58 117.22 3hav h GLU 58 Ca -0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.23 3hav h GLU 58 Cb 1.13 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.37 3hav h GLU 58 CO 0.04 0.56 -0.19 1.25 -1.00 0.00 0.00 179.01 179.67 3hav h LEU 59 N 0.00 0.97 -0.89 1.33 5.85 -1.04 -2.29 115.31 119.24 3hav h LEU 59 Ca -0.01 -0.35 -0.06 0.00 0.84 0.00 0.00 57.88 58.30 3hav h LEU 59 Cb 1.01 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.74 3hav h LEU 59 CO 0.07 1.12 0.12 1.88 -0.34 0.00 0.00 178.44 181.29 3hav h TYR 60 N 0.83 0.98 -0.61 1.25 0.99 -1.22 -0.60 116.97 118.59 3hav h TYR 60 Ca 0.12 -0.11 -0.08 0.00 2.00 0.00 0.00 58.73 60.66 3hav h TYR 60 Cb 0.75 -0.28 -0.02 0.00 1.00 0.00 0.00 36.73 38.17 3hav h TYR 60 CO 0.05 0.83 0.08 0.00 -0.00 0.00 0.00 178.16 179.11 3hav h ARG 61 N 0.90 1.03 -0.56 4.88 2.47 -1.33 -2.66 114.38 119.10 3hav h ARG 61 Ca 0.19 -0.29 -0.04 0.00 -1.26 0.00 0.00 59.98 58.58 3hav h ARG 61 Cb 0.36 -0.11 -0.03 0.00 -1.65 0.00 0.00 29.97 28.54 3hav h ARG 61 CO 0.00 0.97 0.20 0.35 0.56 0.00 0.00 179.97 182.05 3hav h PHE 62 N 0.93 0.84 0.00 3.04 3.57 -0.96 -2.33 116.94 122.04 3hav h PHE 62 Ca 0.18 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.63 3hav h PHE 62 Cb 0.46 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.94 3hav h PHE 62 CO 0.03 0.67 0.00 1.28 -2.23 0.00 0.00 178.31 178.06 3hav n LEU 63 N -4.31 0.00 -0.27 0.59 4.32 -0.27 -3.07 117.00 113.98 3hav n LEU 63 Ca 0.05 0.32 0.06 0.00 -0.02 0.00 0.00 56.01 56.41 3hav n LEU 63 Cb 0.18 -0.32 0.20 0.00 -1.62 0.00 0.00 43.42 41.86 3hav n LEU 63 CO 0.39 -0.10 1.04 -0.33 -1.22 0.00 0.00 177.39 177.17 3hav h GLU 64 N 0.00 0.48 0.00 3.23 5.08 -1.21 -3.38 114.58 118.77 3hav h GLU 64 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3hav h GLU 64 Cb 0.22 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3hav h GLU 64 CO 0.00 0.31 0.00 0.09 -1.00 0.00 0.00 179.01 178.41 3hav n ASN 65 N -4.97 0.00 0.00 1.42 4.13 -1.18 -4.51 115.26 110.15 3hav n ASN 65 Ca 0.15 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.41 3hav n ASN 65 Cb 0.42 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.66 3hav n ASN 65 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3hav n LYS 67 N -0.74 -0.76 -2.49 0.00 5.02 -1.26 -4.92 118.16 113.00 3hav n LYS 67 Ca 0.00 0.35 -0.35 0.00 -2.02 0.00 0.00 58.31 56.30 3hav n LYS 67 Cb 0.00 -2.83 -0.03 0.00 -0.02 0.00 0.00 35.03 32.15 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 -6.56 3.91 0.00 -0.35 1.43 -1.26 -4.94 118.68 110.91 3hav s LEU 68 Ca 0.35 2.01 0.31 0.00 -1.03 0.00 0.00 54.13 55.77 3hav s LEU 68 Cb -0.18 -4.46 1.74 0.00 0.03 0.00 0.00 46.19 43.32 3hav s LEU 68 CO 0.93 -0.78 2.15 -1.20 0.23 0.00 0.00 176.35 177.68 3hav n SER 69 N -0.78 0.07 -4.18 2.29 7.64 -1.26 -4.79 113.62 112.62 3hav n SER 69 Ca 0.08 -0.75 -0.15 0.00 1.01 0.00 0.00 58.87 59.06 3hav n SER 69 Cb 0.51 -0.09 -0.11 0.00 -1.01 0.00 0.00 64.21 63.52 3hav n SER 69 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 3hav s TYR 70 N -2.19 1.10 0.21 1.43 1.51 -1.26 -5.08 117.35 113.07 3hav s TYR 70 Ca 0.41 -0.61 -0.30 0.00 -1.01 0.00 0.00 57.07 55.57 3hav s TYR 70 Cb 0.21 -0.60 -0.08 0.00 -0.11 0.00 0.00 41.96 41.38 3hav s TYR 70 CO 0.40 0.02 1.08 -0.65 -1.11 0.00 0.00 175.55 175.29 3hav s GLN 71 N -2.56 4.63 0.26 -0.62 -0.21 -0.93 -4.89 119.66 115.34 3hav s GLN 71 Ca 0.04 1.71 0.09 0.00 0.02 0.00 0.00 55.36 57.22 3hav s GLN 71 Cb -0.04 -3.26 -0.05 0.00 1.00 0.00 0.00 33.01 30.65 3hav s GLN 71 CO 0.01 0.15 -0.13 0.96 -2.12 0.00 0.00 175.29 174.16 3hav s ILE 72 N -0.54 1.97 0.15 1.08 -5.25 -1.26 -1.11 121.20 116.23 3hav s ILE 72 Ca 0.47 -2.24 -0.34 0.00 -0.99 0.00 0.00 60.65 57.55 3hav s ILE 72 Cb -0.29 -2.30 -0.15 0.00 2.95 0.00 0.00 42.46 42.67 3hav s ILE 72 CO 0.36 -0.42 1.36 -2.65 -1.79 0.00 0.00 174.94 171.80 3hav n PRO 73 N -0.55 1.52 -3.83 0.37 -0.02 -1.26 -4.96 135.00 126.27 3hav n PRO 73 Ca -0.06 0.55 -0.36 0.00 -2.02 0.00 0.00 63.50 61.60 3hav n PRO 73 Cb 0.61 -2.18 -0.12 0.00 -0.02 0.00 0.00 33.50 31.79 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 0.32 3.21 0.18 3.55 0.00 -1.26 -4.84 121.76 122.92 3hav s ALA 74 Ca 0.78 -1.05 -0.30 0.00 0.00 0.00 0.00 51.96 51.39 3hav s ALA 74 Cb -0.82 -2.04 -0.08 0.00 0.00 0.00 0.00 23.12 20.18 3hav s ALA 74 CO 0.47 -0.34 1.15 0.08 0.00 0.00 0.00 175.76 177.11 3hav s VAL 75 N 1.35 3.71 -0.01 0.00 1.01 -1.26 -0.92 120.40 124.28 3hav s VAL 75 Ca 0.05 1.46 0.03 0.00 0.00 0.00 0.00 61.98 63.53 3hav s VAL 75 Cb -0.15 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 3hav s VAL 75 CO 0.04 0.24 0.05 0.55 0.00 0.00 0.00 175.10 175.98 3hav n VAL 76 N 2.41 0.08 -3.60 2.92 3.14 -0.68 -4.91 118.33 117.70 3hav n VAL 76 Ca 0.03 -0.09 -0.15 0.00 -2.96 0.00 0.00 64.34 61.17 3hav n VAL 76 Cb 0.45 -0.10 -0.07 0.00 -1.06 0.00 0.00 33.84 33.06 3hav n VAL 76 CO 0.00 0.00 0.00 -0.47 -6.46 0.00 0.00 176.83 169.90 3hav s TYR 77 N -2.16 -0.71 -0.04 1.45 5.04 -1.13 -4.96 117.35 114.83 3hav s TYR 77 Ca -0.01 1.60 0.03 0.00 -2.44 0.00 0.00 57.07 56.24 3hav s TYR 77 Cb 0.02 0.32 0.00 0.00 0.35 0.00 0.00 41.96 42.65 3hav s TYR 77 CO 0.13 -0.43 -0.11 -0.65 -1.34 0.00 0.00 175.55 173.15 3hav s GLN 78 N -0.11 1.21 0.03 4.97 -0.21 -1.26 -1.26 119.66 123.04 3hav s GLN 78 Ca -0.03 -0.37 -0.28 0.00 0.02 0.00 0.00 55.36 54.70 3hav s GLN 78 Cb -0.03 -1.09 0.10 0.00 1.00 0.00 0.00 33.01 32.99 3hav s GLN 78 CO 0.03 0.12 1.20 -1.54 -2.12 0.00 0.00 175.29 172.97 3hav s SER 79 N 0.27 -0.07 0.09 5.90 1.04 -1.08 -5.02 113.70 114.82 3hav s SER 79 Ca -0.05 -0.23 -0.17 0.00 0.48 0.00 0.00 55.95 55.97 3hav s SER 79 Cb -0.10 0.25 -0.07 0.00 0.10 0.00 0.00 66.02 66.20 3hav s SER 79 CO 0.01 -0.48 1.51 0.44 0.98 0.00 0.00 173.24 175.71 3hav h ASP 80 N 2.00 0.52 1.90 7.02 3.32 -2.00 -3.25 116.42 125.93 3hav h ASP 80 Ca -0.28 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.43 3hav h ASP 80 Cb 1.21 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 40.62 3hav h ASP 80 CO 0.28 0.74 0.00 0.08 -1.72 0.00 0.00 179.24 178.62 3hav h ARG 81 N 0.30 0.00 -1.64 3.56 0.11 -1.96 -3.44 114.38 111.31 3hav h ARG 81 Ca 0.08 0.00 0.19 0.00 0.10 0.00 0.00 59.98 60.34 3hav h ARG 81 Cb 0.49 0.00 -0.20 0.00 1.11 0.00 0.00 29.97 31.37 3hav h ARG 81 CO 0.02 0.00 0.70 -0.59 0.10 0.00 0.00 179.97 180.20 3hav s PHE 82 N -3.24 -0.21 0.04 4.08 -0.12 -1.23 -4.23 117.98 113.07 3hav s PHE 82 Ca 0.07 0.21 0.07 0.00 -0.05 0.00 0.00 56.93 57.23 3hav s PHE 82 Cb 0.06 0.51 -0.02 0.00 -0.63 0.00 0.00 43.02 42.93 3hav s PHE 82 CO 0.66 -0.29 -0.21 -0.80 -0.05 0.00 0.00 175.22 174.53 3hav s ASN 83 N -1.93 2.48 0.03 1.98 0.01 -0.26 -2.64 114.94 114.61 3hav s ASN 83 Ca 0.06 -0.50 0.07 0.00 -0.71 0.00 0.00 52.86 51.78 3hav s ASN 83 Cb -0.01 -0.22 -0.02 0.00 0.41 0.00 0.00 41.25 41.41 3hav s ASN 83 CO -0.05 0.18 -0.21 -0.63 -1.51 0.00 0.00 177.10 174.88 3hav s ILE 84 N -0.76 1.69 0.16 0.60 1.01 -0.39 -0.66 121.20 122.85 3hav s ILE 84 Ca 0.08 -1.12 -0.05 0.00 0.00 0.00 0.00 60.65 59.56 3hav s ILE 84 Cb -0.09 -1.45 -0.03 0.00 0.01 0.00 0.00 42.46 40.91 3hav s ILE 84 CO 0.01 0.29 0.17 0.00 0.00 0.00 0.00 174.94 175.42 3hav s MET 85 N -0.97 1.07 0.33 2.79 0.23 -0.63 -1.68 119.30 120.43 3hav s MET 85 Ca 0.08 -1.35 -0.27 0.00 -1.03 0.00 0.00 55.69 53.12 3hav s MET 85 Cb -0.09 0.31 -0.09 0.00 -1.53 0.00 0.00 34.83 33.43 3hav s MET 85 CO 0.01 -0.35 1.03 0.15 -2.03 0.00 0.00 175.02 173.83 3hav s LYS 86 N -4.03 4.49 -0.04 3.16 1.02 -0.10 -0.33 119.74 123.91 3hav s LYS 86 Ca 0.23 1.56 -0.30 0.00 0.02 0.00 0.00 55.97 57.48 3hav s LYS 86 Cb 0.05 -2.89 -0.03 0.00 -0.52 0.00 0.00 37.83 34.44 3hav s LYS 86 CO 0.02 0.14 1.12 -0.47 -0.92 0.00 0.00 175.35 175.25 3hav s TYR 87 N -1.44 3.37 -0.50 3.18 5.04 0.98 -4.62 117.35 123.36 3hav s TYR 87 Ca 0.50 1.39 -0.15 0.00 -2.44 0.00 0.00 57.07 56.37 3hav s TYR 87 Cb -0.25 -3.32 0.10 0.00 0.35 0.00 0.00 41.96 38.84 3hav s TYR 87 CO 0.31 -0.87 0.43 0.42 -1.34 0.00 0.00 175.55 174.51 3hav s ILE 88 N 1.81 5.08 0.27 3.14 1.01 -1.26 -4.92 121.20 126.33 3hav s ILE 88 Ca 0.54 -1.36 -0.29 0.00 0.00 0.00 0.00 60.65 59.54 3hav s ILE 88 Cb -0.23 -4.17 -0.09 0.00 0.01 0.00 0.00 42.46 37.97 3hav s ILE 88 CO 0.23 -0.73 1.05 -0.75 0.00 0.00 0.00 174.94 174.73 3hav s LYS 89 N 1.59 4.69 0.00 2.79 2.20 -1.26 -4.98 119.74 124.76 3hav s LYS 89 Ca 0.04 1.69 0.00 0.00 -0.36 0.00 0.00 55.97 57.33 3hav s LYS 89 Cb -0.27 -3.18 0.00 0.00 -1.51 0.00 0.00 37.83 32.87 3hav s LYS 89 CO 0.04 0.29 0.00 0.41 -0.36 0.00 0.00 175.35 175.73 3hav n GLY 90 N 1.23 0.96 3.75 5.54 0.00 -1.26 -4.92 105.19 110.49 3hav n GLY 90 Ca -0.01 -0.61 -0.33 0.00 0.00 0.00 0.00 46.02 45.08 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 1.01 2.19 -0.11 1.61 -1.05 0.35 -4.89 118.70 117.82 3hav s GLU 91 Ca 0.00 -2.41 -0.09 0.00 -0.15 0.00 0.00 54.97 52.32 3hav s GLU 91 Cb 0.00 -1.44 -0.03 0.00 -0.44 0.00 0.00 34.13 32.22 3hav s GLU 91 CO 0.00 -0.40 -0.17 2.89 0.95 0.00 0.00 175.26 178.53 3hav n ARG 92 N -1.26 0.35 -2.39 -4.83 -4.01 -1.26 -3.02 116.66 100.24 3hav n ARG 92 Ca -0.19 0.36 -0.01 0.00 -1.04 0.00 0.00 57.85 56.97 3hav n ARG 92 Cb 0.67 -1.37 -0.01 0.00 -3.04 0.00 0.00 32.46 28.71 3hav n ARG 92 CO 0.00 0.00 0.00 -0.89 -3.04 0.00 0.00 177.63 173.70 3hav n ILE 93 N -3.98 -9.81 -3.59 8.89 5.41 -1.26 -4.81 119.36 110.20 3hav n ILE 93 Ca -0.07 1.57 -0.23 0.00 1.00 0.00 0.00 62.75 65.03 3hav n ILE 93 Cb 0.25 -6.12 -0.01 0.00 -0.71 0.00 0.00 39.64 33.05 3hav n ILE 93 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 3hav s THR 94 N -1.05 5.15 0.31 1.39 -4.23 -1.26 -4.92 115.64 111.02 3hav s THR 94 Ca -0.05 -0.65 0.08 0.00 -1.18 0.00 0.00 61.69 59.89 3hav s THR 94 Cb 0.00 -3.86 0.36 0.00 1.34 0.00 0.00 72.50 70.35 3hav s THR 94 CO 0.59 -0.48 1.45 0.00 -0.54 0.00 0.00 174.62 175.65 3hav n TYR 95 N -1.65 0.78 0.38 3.99 9.36 -1.21 -0.98 117.16 127.82 3hav n TYR 95 Ca -0.06 1.10 -0.16 0.00 3.32 0.00 0.00 57.90 62.11 3hav n TYR 95 Cb 0.56 -1.31 -0.07 0.00 -0.63 0.00 0.00 39.34 37.89 3hav n TYR 95 CO 0.00 0.00 0.00 0.93 0.22 0.00 0.00 176.86 178.01 3hav h GLU 96 N 0.00 -0.96 0.00 2.98 5.08 -1.91 -2.34 114.58 117.44 3hav h GLU 96 Ca 0.65 0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 59.07 3hav h GLU 96 Cb 1.51 0.22 -0.00 0.00 0.50 0.00 0.00 28.75 30.97 3hav h GLU 96 CO -0.81 -0.63 -0.03 -0.56 -1.00 0.00 0.00 179.01 175.98 3hav h GLN 97 N -1.25 0.00 -0.43 2.33 3.07 -1.78 -1.10 115.11 115.95 3hav h GLN 97 Ca -0.10 0.00 -0.10 0.00 0.09 0.00 0.00 58.65 58.54 3hav h GLN 97 Cb 0.77 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.31 3hav h GLN 97 CO 0.17 0.03 -0.12 -0.92 0.09 0.00 0.00 178.83 178.08 3hav h TYR 98 N 0.00 0.95 0.00 0.06 3.20 -0.91 -2.63 116.97 117.64 3hav h TYR 98 Ca -0.00 -0.21 0.00 0.00 3.14 0.00 0.00 58.73 61.66 3hav h TYR 98 Cb 0.16 -0.23 0.00 0.00 1.54 0.00 0.00 36.73 38.20 3hav h TYR 98 CO 0.00 0.96 0.00 0.72 -1.64 0.00 0.00 178.16 178.20 3hav n HIS 99 N -4.28 0.00 0.47 -3.82 8.25 -0.43 -1.34 115.22 114.08 3hav n HIS 99 Ca -0.01 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.55 3hav n HIS 99 Cb 0.38 0.00 -0.13 0.00 1.12 0.00 0.00 29.99 31.37 3hav n HIS 99 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 3hav n LYS 100 N -0.65 0.67 -1.22 -0.41 0.00 -1.00 -4.99 118.16 110.56 3hav n LYS 100 Ca 0.07 -0.08 -0.31 0.00 0.00 0.00 0.00 58.31 57.98 3hav n LYS 100 Cb 0.03 -1.43 0.10 0.00 0.00 0.00 0.00 35.03 33.74 3hav n LYS 100 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3hav s LEU 101 N -3.57 2.91 0.56 3.14 1.43 -0.45 -5.04 118.68 117.66 3hav s LEU 101 Ca 0.01 1.80 -0.08 0.00 -1.03 0.00 0.00 54.13 54.83 3hav s LEU 101 Cb 0.13 -4.44 -0.03 0.00 0.03 0.00 0.00 46.19 41.89 3hav s LEU 101 CO 0.79 -2.18 0.90 -0.94 0.23 0.00 0.00 176.35 175.15 3hav s SER 102 N -3.36 6.12 0.32 2.29 1.04 -1.26 -4.84 113.70 114.01 3hav s SER 102 Ca 0.62 1.08 0.04 0.00 0.48 0.00 0.00 55.95 58.17 3hav s SER 102 Cb -0.18 -2.23 0.67 0.00 0.10 0.00 0.00 66.02 64.38 3hav s SER 102 CO 0.56 -0.78 1.87 -0.08 0.98 0.00 0.00 173.24 175.78 3hav h GLU 103 N -0.06 0.84 -0.68 4.02 4.57 -1.97 0.44 114.58 121.73 3hav h GLU 103 Ca -0.46 -0.05 -0.05 0.00 -1.18 0.00 0.00 59.36 57.62 3hav h GLU 103 Cb 1.21 -0.19 -0.03 0.00 -0.16 0.00 0.00 28.75 29.58 3hav h GLU 103 CO 0.62 0.56 0.22 -0.22 -1.18 0.00 0.00 179.01 179.01 3hav h LYS 104 N 0.87 1.05 -0.04 1.92 1.63 -1.99 -1.36 116.57 118.65 3hav h LYS 104 Ca 0.45 -0.22 -0.21 0.00 -0.85 0.00 0.00 60.65 59.83 3hav h LYS 104 Cb 0.53 -0.15 -0.00 0.00 -0.60 0.00 0.00 32.23 32.01 3hav h LYS 104 CO -0.22 0.91 -0.84 0.93 -3.45 0.00 0.00 179.45 176.78 3hav h GLU 105 N 0.99 0.43 -0.39 1.90 5.08 -1.50 -2.66 114.58 118.43 3hav h GLU 105 Ca 0.22 -0.40 -0.08 0.00 -1.00 0.00 0.00 59.36 58.09 3hav h GLU 105 Cb 0.29 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 3hav h GLU 105 CO -0.01 1.05 -0.08 0.87 -1.00 0.00 0.00 179.01 179.84 3hav h LYS 106 N 0.27 0.75 0.00 2.33 1.57 -0.03 -2.35 116.57 119.11 3hav h LYS 106 Ca -0.06 -0.28 -0.11 0.00 -1.87 0.00 0.00 60.65 58.33 3hav h LYS 106 Cb 1.44 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.69 3hav h LYS 106 CO 0.15 0.88 -0.52 -0.44 -0.57 0.00 0.00 179.45 178.95 3hav h ASP 107 N 0.56 0.00 -0.37 0.86 3.32 -1.30 -1.53 116.42 117.95 3hav h ASP 107 Ca 0.10 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 3hav h ASP 107 Cb 0.60 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.14 3hav h ASP 107 CO 0.04 0.52 0.09 0.00 -1.72 0.00 0.00 179.24 178.16 3hav h ALA 108 N 1.48 0.49 -0.66 3.45 0.00 -1.37 -0.24 119.26 122.42 3hav h ALA 108 Ca -0.01 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.76 3hav h ALA 108 Cb 1.00 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 3hav h ALA 108 CO 0.07 0.16 0.39 -0.07 0.00 0.00 0.00 179.25 179.80 3hav h LEU 109 N 0.45 0.62 -0.75 0.00 3.38 -1.09 -2.04 115.31 115.88 3hav h LEU 109 Ca 0.12 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 3hav h LEU 109 Cb 0.31 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3hav h LEU 109 CO 0.00 0.42 0.37 0.00 0.09 0.00 0.00 178.44 179.32 3hav h ALA 110 N 1.31 0.97 -0.70 1.53 0.00 -0.94 -2.06 119.26 119.36 3hav h ALA 110 Ca 0.28 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3hav h ALA 110 Cb 0.09 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3hav h ALA 110 CO -0.14 0.52 0.30 -0.92 0.00 0.00 0.00 179.25 179.01 3hav h TYR 111 N 1.05 1.04 0.96 0.00 3.20 -0.76 -2.16 116.97 120.30 3hav h TYR 111 Ca 0.26 -0.06 -0.05 0.00 3.14 0.00 0.00 58.73 62.02 3hav h TYR 111 Cb 0.10 -0.32 0.01 0.00 1.54 0.00 0.00 36.73 38.06 3hav h TYR 111 CO 0.01 0.78 -0.46 -0.44 -1.64 0.00 0.00 178.16 176.41 3hav h ASP 112 N 1.01 -1.10 -0.41 -2.11 3.32 -0.69 0.24 116.42 116.69 3hav h ASP 112 Ca 0.24 0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.31 3hav h ASP 112 Cb 0.17 0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.98 3hav h ASP 112 CO -0.02 -0.78 0.19 -0.33 -1.72 0.00 0.00 179.24 176.58 3hav h GLU 113 N -1.31 0.64 -0.25 3.56 5.08 -1.49 -1.13 114.58 119.68 3hav h GLU 113 Ca -0.13 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 3hav h GLU 113 Cb 0.99 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 3hav h GLU 113 CO 0.22 0.52 0.10 0.00 -1.00 0.00 0.00 179.01 178.84 3hav h ALA 114 N 1.58 0.32 -0.70 3.43 0.00 -1.25 -1.90 119.26 120.74 3hav h ALA 114 Ca 0.16 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3hav h ALA 114 Cb 0.11 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 3hav h ALA 114 CO -0.02 -0.08 0.19 1.15 0.00 0.00 0.00 179.25 180.49 3hav h THR 115 N 0.25 1.26 -0.62 0.00 2.02 -0.32 -2.04 112.91 113.46 3hav h THR 115 Ca 0.08 -0.93 -0.02 0.00 0.77 0.00 0.00 66.41 66.31 3hav h THR 115 Cb 0.18 0.54 -0.03 0.00 -1.74 0.00 0.00 68.15 67.10 3hav h THR 115 CO -0.01 0.36 0.31 0.15 0.37 0.00 0.00 175.52 176.70 3hav h PHE 116 N 1.04 0.88 0.11 3.16 3.57 -1.13 -1.71 116.94 122.87 3hav h PHE 116 Ca 0.22 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.68 3hav h PHE 116 Cb 0.34 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.81 3hav h PHE 116 CO 0.03 0.66 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.65 3hav h LEU 117 N 0.85 -0.12 -0.91 0.59 3.38 -1.08 0.65 115.31 118.66 3hav h LEU 117 Ca 0.21 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.04 3hav h LEU 117 Cb 0.10 0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 3hav h LEU 117 CO -0.03 0.09 0.60 0.50 0.09 0.00 0.00 178.44 179.70 3hav h LYS 118 N -0.34 1.16 -0.16 1.13 3.64 -1.35 0.36 116.57 121.01 3hav h LYS 118 Ca -0.01 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.30 3hav h LYS 118 Cb 0.28 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3hav h LYS 118 CO 0.02 0.77 0.08 0.93 -2.27 0.00 0.00 179.45 178.98 3hav h GLU 119 N 1.19 0.17 -0.28 1.90 5.08 -1.18 -0.78 114.58 120.69 3hav h GLU 119 Ca 0.35 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.70 3hav h GLU 119 Cb -0.07 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.13 3hav h GLU 119 CO -0.10 0.11 0.16 1.25 -1.00 0.00 0.00 179.01 179.44 3hav h LEU 120 N 0.18 0.34 -1.14 1.33 5.85 0.04 -2.81 115.31 119.10 3hav h LEU 120 Ca 0.06 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.72 3hav h LEU 120 Cb 0.01 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 40.95 3hav h LEU 120 CO -0.04 0.30 -0.02 0.45 -0.34 0.00 0.00 178.44 178.79 3hav h HIS 121 N 0.34 0.00 0.00 1.25 3.86 -0.22 -3.01 115.15 117.37 3hav h HIS 121 Ca 0.10 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.31 3hav h HIS 121 Cb 0.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.50 3hav h HIS 121 CO -0.04 0.02 -0.33 0.77 0.86 0.00 0.00 177.93 179.21 3hav h SER 122 N 0.00 0.00 -2.98 2.45 0.02 -0.88 -3.42 113.55 108.75 3hav h SER 122 Ca -0.00 -0.07 -0.53 0.00 -0.84 0.00 0.00 61.79 60.35 3hav h SER 122 Cb 0.63 0.00 0.07 0.00 0.14 0.00 0.00 62.40 63.25 3hav h SER 122 CO 0.00 0.03 0.93 -0.38 -1.14 0.00 0.00 176.83 176.28 3hav n ILE 123 N -2.46 0.55 -2.03 3.27 5.41 -1.14 -4.92 119.36 118.05 3hav n ILE 123 Ca 0.04 -0.14 -0.42 0.00 1.00 0.00 0.00 62.75 63.23 3hav n ILE 123 Cb 0.47 -1.96 -0.03 0.00 -0.71 0.00 0.00 39.64 37.41 3hav n ILE 123 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 3hav s GLU 124 N 0.25 4.26 -0.04 0.38 2.56 -1.26 -4.74 118.70 120.12 3hav s GLU 124 Ca 0.69 2.24 -0.00 0.00 0.00 0.00 0.00 54.97 57.90 3hav s GLU 124 Cb -0.51 -3.20 -0.00 0.00 2.00 0.00 0.00 34.13 32.43 3hav s GLU 124 CO 0.41 -0.54 -0.01 0.82 -0.56 0.00 0.00 175.26 175.39 3hav h ILE 125 N 4.12 0.00 -4.31 -3.70 1.08 -1.96 -3.51 117.51 109.24 3hav h ILE 125 Ca -0.42 -0.39 0.00 0.00 -0.39 0.00 0.00 64.86 63.65 3hav h ILE 125 Cb 1.21 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.96 3hav h ILE 125 CO 0.89 0.00 -0.58 -0.67 -0.69 0.00 0.00 178.15 177.10 3hav n ASP 126 N -3.10 -5.70 0.00 1.72 4.64 -1.26 -4.89 116.55 107.96 3hav n ASP 126 Ca -0.00 0.84 0.07 0.00 -1.38 0.00 0.00 54.79 54.31 3hav n ASP 126 Cb 0.01 -3.67 0.32 0.00 -1.04 0.00 0.00 41.12 36.74 3hav n ASP 126 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 3hav h SER 128 N 0.00 -0.40 -4.00 0.00 0.87 -1.97 -3.37 113.55 104.67 3hav h SER 128 Ca 0.00 0.12 -0.54 0.00 -1.23 0.00 0.00 61.79 60.14 3hav h SER 128 Cb 0.22 0.25 0.11 0.00 -0.44 0.00 0.00 62.40 62.55 3hav h SER 128 CO 0.00 -0.14 0.65 -0.69 -0.53 0.00 0.00 176.83 176.11 3hav s VAL 129 N -6.21 2.24 0.16 2.23 1.01 -1.20 -4.91 120.40 113.73 3hav s VAL 129 Ca -0.14 0.20 -0.08 0.00 0.00 0.00 0.00 61.98 61.96 3hav s VAL 129 Cb 0.14 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 33.37 3hav s VAL 129 CO 0.70 0.02 1.50 -1.28 0.00 0.00 0.00 175.10 176.04 3hav h SER 130 N 2.13 0.90 -0.95 3.32 0.87 -1.92 -2.45 113.55 115.45 3hav h SER 130 Ca -0.51 -0.42 0.29 0.00 -1.23 0.00 0.00 61.79 59.93 3hav h SER 130 Cb 1.27 -0.25 -0.16 0.00 -0.44 0.00 0.00 62.40 62.82 3hav h SER 130 CO 0.60 1.19 0.34 0.25 -0.53 0.00 0.00 176.83 178.68 3hav h LEU 131 N 0.68 0.12 0.00 2.23 6.46 -1.93 0.16 115.31 123.03 3hav h LEU 131 Ca 0.05 0.22 -0.11 0.00 -0.12 0.00 0.00 57.88 57.92 3hav h LEU 131 Cb 0.98 0.27 -0.02 0.00 -0.73 0.00 0.00 40.66 41.16 3hav h LEU 131 CO 0.09 -0.23 -1.30 0.49 -0.62 0.00 0.00 178.44 176.88 3hav n PHE 132 N -5.22 0.94 0.07 1.25 3.01 -1.16 -3.30 117.46 113.05 3hav n PHE 132 Ca 0.27 0.30 -0.15 0.00 1.01 0.00 0.00 57.45 58.88 3hav n PHE 132 Cb 0.87 -1.03 -0.06 0.00 -0.01 0.00 0.00 39.48 39.25 3hav n PHE 132 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 3hav h SER 133 N 0.00 0.59 0.69 4.37 4.64 -0.45 -2.86 113.55 120.53 3hav h SER 133 Ca -0.11 -0.49 -0.14 0.00 -0.47 0.00 0.00 61.79 60.58 3hav h SER 133 Cb 1.38 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 3hav h SER 133 CO 0.03 1.30 -0.68 0.44 -0.87 0.00 0.00 176.83 177.04 3hav h ASP 134 N 0.24 0.00 1.33 4.97 3.45 -0.94 -3.05 116.42 122.42 3hav h ASP 134 Ca -0.10 0.00 -0.00 0.00 0.43 0.00 0.00 57.03 57.36 3hav h ASP 134 Cb 1.65 0.00 -0.00 0.00 -0.56 0.00 0.00 39.33 40.41 3hav h ASP 134 CO 0.18 0.68 -0.02 0.00 -1.57 0.00 0.00 179.24 178.51 3hav h ALA 135 N 1.32 1.00 -2.08 3.45 0.00 -1.54 -3.45 119.26 117.95 3hav h ALA 135 Ca -0.01 -0.02 -0.61 0.00 0.00 0.00 0.00 54.91 54.27 3hav h ALA 135 Cb 1.21 -0.00 0.03 0.00 0.00 0.00 0.00 17.79 19.03 3hav h ALA 135 CO 0.09 0.03 0.99 -0.11 0.00 0.00 0.00 179.25 180.25 3hav n LEU 136 N -3.11 3.28 -3.67 0.00 -0.00 -1.09 -1.55 117.00 110.86 3hav n LEU 136 Ca 0.02 1.01 -0.29 0.00 -0.00 0.00 0.00 56.01 56.74 3hav n LEU 136 Cb 0.39 -1.38 -0.13 0.00 -0.00 0.00 0.00 43.42 42.30 3hav n LEU 136 CO 0.30 -0.16 -0.27 0.68 -0.00 0.00 0.00 177.39 177.95 3hav s VAL 137 N 3.02 1.14 -0.04 1.96 -7.23 -0.69 -4.89 120.40 113.68 3hav s VAL 137 Ca 0.88 -2.31 -0.30 0.00 -1.81 0.00 0.00 61.98 58.45 3hav s VAL 137 Cb -0.70 -1.81 -0.05 0.00 0.56 0.00 0.00 36.38 34.37 3hav s VAL 137 CO 0.48 -0.89 1.56 0.20 -0.31 0.00 0.00 175.10 176.14 3hav s ASN 138 N 0.59 6.72 0.08 4.85 0.01 -1.26 -4.74 114.94 121.19 3hav s ASN 138 Ca 0.17 2.19 -0.32 0.00 -0.71 0.00 0.00 52.86 54.19 3hav s ASN 138 Cb -0.24 -2.54 -0.15 0.00 0.41 0.00 0.00 41.25 38.73 3hav s ASN 138 CO -0.01 -0.86 1.50 0.50 -1.51 0.00 0.00 177.10 176.71 3hav h LYS 139 N 8.90 -0.84 -1.04 -0.60 3.64 -1.97 -1.95 116.57 122.71 3hav h LYS 139 Ca -0.38 0.06 0.28 0.00 -1.27 0.00 0.00 60.65 59.34 3hav h LYS 139 Cb 1.17 0.19 -0.07 0.00 -0.41 0.00 0.00 32.23 33.12 3hav h LYS 139 CO 0.94 -0.56 0.71 -0.22 -2.27 0.00 0.00 179.45 178.06 3hav h LYS 140 N -0.87 0.20 0.00 1.90 3.11 -1.94 -0.58 116.57 118.40 3hav h LYS 140 Ca -0.05 -0.01 -0.18 0.00 -2.81 0.00 0.00 60.65 57.60 3hav h LYS 140 Cb 0.77 -0.05 -0.02 0.00 -1.00 0.00 0.00 32.23 31.93 3hav h LYS 140 CO -0.09 0.13 -0.86 -0.44 -2.81 0.00 0.00 179.45 175.38 3hav h ASP 141 N 0.21 0.08 1.26 4.20 3.45 -1.77 -2.12 116.42 121.73 3hav h ASP 141 Ca 0.54 -0.07 -0.16 0.00 0.43 0.00 0.00 57.03 57.78 3hav h ASP 141 Cb 1.73 -0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 40.45 3hav h ASP 141 CO -0.15 0.90 -0.74 0.07 -1.57 0.00 0.00 179.24 177.75 3hav h LYS 142 N 0.03 0.00 -0.56 3.56 5.09 -0.72 -2.58 116.57 121.39 3hav h LYS 142 Ca -0.02 0.00 -0.08 0.00 0.09 0.00 0.00 60.65 60.63 3hav h LYS 142 Cb 1.50 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.81 3hav h LYS 142 CO 0.12 0.74 0.02 0.74 -2.09 0.00 0.00 179.45 178.98 3hav h PHE 143 N 0.00 1.05 0.00 0.07 0.05 -1.16 -0.53 116.94 116.42 3hav h PHE 143 Ca -0.01 -0.17 -0.03 0.00 3.82 0.00 0.00 57.97 61.58 3hav h PHE 143 Cb 1.57 -0.28 -0.00 0.00 2.00 0.00 0.00 35.95 39.24 3hav h PHE 143 CO 0.00 0.95 -0.13 -0.07 -0.18 0.00 0.00 178.31 178.88 3hav h LEU 144 N 0.86 0.00 0.14 1.54 -0.00 -1.35 -2.51 115.31 113.99 3hav h LEU 144 Ca 0.16 0.00 -0.29 0.00 -0.00 0.00 0.00 57.88 57.75 3hav h LEU 144 Cb 0.51 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 41.20 3hav h LEU 144 CO 0.02 0.13 -1.22 1.56 -0.00 0.00 0.00 178.44 178.93 3hav h GLN 145 N 0.00 0.58 0.00 1.13 4.20 -1.05 -3.25 115.11 116.73 3hav h GLN 145 Ca -0.00 -0.81 -0.05 0.00 0.06 0.00 0.00 58.65 57.85 3hav h GLN 145 Cb 0.66 0.28 -0.01 0.00 0.30 0.00 0.00 27.48 28.71 3hav h GLN 145 CO 0.02 1.37 -0.23 -0.44 -0.67 0.00 0.00 178.83 178.88 3hav h ASP 146 N 0.19 0.00 0.31 1.46 3.32 -0.96 -2.83 116.42 117.92 3hav h ASP 146 Ca -0.19 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.84 3hav h ASP 146 Cb 1.91 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.46 3hav h ASP 146 CO 0.23 0.23 -0.15 0.50 -1.72 0.00 0.00 179.24 178.33 3hav h LYS 147 N 0.00 -0.40 -0.74 3.56 3.11 -1.48 0.49 116.57 121.10 3hav h LYS 147 Ca -0.00 0.03 -0.05 0.00 -2.81 0.00 0.00 60.65 57.82 3hav h LYS 147 Cb 0.47 0.09 -0.03 0.00 -1.00 0.00 0.00 32.23 31.76 3hav h LYS 147 CO 0.03 -0.16 0.28 0.87 -2.81 0.00 0.00 179.45 177.66 3hav h LYS 148 N -0.59 1.11 -0.49 1.90 1.57 -1.61 -2.28 116.57 116.18 3hav h LYS 148 Ca -0.04 -0.20 -0.03 0.00 -1.87 0.00 0.00 60.65 58.50 3hav h LYS 148 Cb 0.43 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.54 3hav h LYS 148 CO 0.07 0.91 0.19 -0.07 -0.57 0.00 0.00 179.45 179.99 3hav h LEU 149 N 1.08 0.68 0.38 2.94 3.38 -1.33 -1.44 115.31 121.00 3hav h LEU 149 Ca 0.25 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 3hav h LEU 149 Cb 0.23 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3hav h LEU 149 CO -0.02 0.66 -0.25 0.25 0.09 0.00 0.00 178.44 179.18 3hav h LEU 150 N 0.65 -0.62 -0.16 1.67 5.85 0.31 -0.64 115.31 122.36 3hav h LEU 150 Ca 0.16 0.04 -0.17 0.00 0.84 0.00 0.00 57.88 58.76 3hav h LEU 150 Cb 0.20 0.19 0.01 0.00 0.37 0.00 0.00 40.66 41.43 3hav h LEU 150 CO -0.01 -0.39 -0.55 0.16 -0.34 0.00 0.00 178.44 177.31 3hav h ILE 151 N -0.61 1.32 0.00 4.05 3.07 -1.45 -2.66 117.51 121.24 3hav h ILE 151 Ca -0.04 -1.80 -0.00 0.00 1.55 0.00 0.00 64.86 64.57 3hav h ILE 151 Cb 0.51 2.00 -0.00 0.00 -0.27 0.00 0.00 36.82 39.06 3hav h ILE 151 CO 0.03 0.56 -0.01 -1.28 -1.05 0.00 0.00 178.15 176.40 3hav h SER 152 N 0.32 0.00 -0.04 2.16 0.87 -1.28 0.46 113.55 116.04 3hav h SER 152 Ca -0.02 0.00 -0.10 0.00 -1.23 0.00 0.00 61.79 60.44 3hav h SER 152 Cb 1.18 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.14 3hav h SER 152 CO 0.12 0.01 -0.37 0.40 -0.53 0.00 0.00 176.83 176.46 3hav h ILE 153 N 0.00 1.45 0.00 2.23 1.08 -0.78 -3.24 117.51 118.25 3hav h ILE 153 Ca -0.00 -1.84 0.00 0.00 -0.39 0.00 0.00 64.86 62.63 3hav h ILE 153 Cb 0.19 2.46 0.00 0.00 -3.07 0.00 0.00 36.82 36.40 3hav h ILE 153 CO 0.00 0.53 -0.80 0.17 -0.69 0.00 0.00 178.15 177.35 3hav h LEU 154 N -0.21 0.00 -0.19 1.44 8.10 -1.09 -2.72 115.31 120.65 3hav h LEU 154 Ca -0.03 -0.18 -0.02 0.00 0.11 0.00 0.00 57.88 57.75 3hav h LEU 154 Cb 1.05 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 41.26 3hav h LEU 154 CO 0.07 0.09 0.04 -0.08 -4.11 0.00 0.00 178.44 174.45 3hav h GLU 155 N 0.00 0.30 -0.01 0.17 4.81 -0.23 0.19 114.58 119.82 3hav h GLU 155 Ca 0.00 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3hav h GLU 155 Cb 0.81 -0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.16 3hav h GLU 155 CO 0.00 0.45 -0.00 0.87 -0.73 0.00 0.00 179.01 179.60 3hav h LYS 156 N 0.11 0.02 0.00 1.92 1.57 -1.64 -1.89 116.57 116.65 3hav h LYS 156 Ca 0.06 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3hav h LYS 156 Cb 0.29 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3hav h LYS 156 CO 0.00 0.34 0.00 0.39 -0.57 0.00 0.00 179.45 179.61 3hav n GLU 157 N -4.92 0.29 -4.38 3.15 4.71 -1.02 -4.82 120.64 113.64 3hav n GLU 157 Ca -0.08 0.00 -0.39 0.00 -0.01 0.00 0.00 57.16 56.68 3hav n GLU 157 Cb 0.18 -1.25 -0.07 0.00 -1.01 0.00 0.00 31.44 29.29 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 -0.75 -0.97 -0.29 3.49 -0.00 0.45 -4.76 117.38 114.55 3hav n GLN 158 Ca 0.03 0.14 0.11 0.00 -0.00 0.00 0.00 57.00 57.28 3hav n GLN 158 Cb 0.02 -4.72 0.26 0.00 -0.00 0.00 0.00 30.24 25.80 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 -3.95 3.64 -4.76 2.61 0.00 0.14 -4.97 117.00 109.70 3hav n LEU 159 Ca 0.11 -1.85 -0.36 0.00 0.00 0.00 0.00 56.01 53.91 3hav n LEU 159 Cb 0.46 -0.38 0.01 0.00 0.00 0.00 0.00 43.42 43.51 3hav n LEU 159 CO 0.89 0.88 0.84 -0.22 0.00 0.00 0.00 177.39 179.78 3hav s LEU 160 N -1.12 3.83 -0.10 -1.96 2.96 -1.21 -4.95 118.68 116.13 3hav s LEU 160 Ca 0.42 2.36 0.14 0.00 -0.22 0.00 0.00 54.13 56.83 3hav s LEU 160 Cb 0.22 -4.43 0.22 0.00 0.50 0.00 0.00 46.19 42.70 3hav s LEU 160 CO 0.30 -1.27 1.10 0.35 -1.32 0.00 0.00 176.35 175.52 3hav n THR 161 N -1.06 1.58 0.00 3.68 -2.24 -1.26 -5.00 114.28 109.98 3hav n THR 161 Ca 0.10 -1.86 0.00 0.00 -2.27 0.00 0.00 64.05 60.02 3hav n THR 161 Cb 0.49 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.67 3hav n THR 161 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3hav n ASP 162 N -1.16 0.00 0.11 3.42 10.43 -1.26 -4.13 116.55 123.97 3hav n ASP 162 Ca 0.12 0.00 0.12 0.00 2.57 0.00 0.00 54.79 57.60 3hav n ASP 162 Cb 0.58 0.00 0.46 0.00 1.84 0.00 0.00 41.12 44.00 3hav n ASP 162 CO 0.00 0.00 0.00 -1.84 -1.07 0.00 0.00 177.20 174.29 3hav n GLU 163 N 0.00 0.19 0.01 -1.24 0.28 -1.26 -2.44 120.64 116.19 3hav n GLU 163 Ca 0.00 0.36 -0.11 0.00 -0.16 0.00 0.00 57.16 57.25 3hav n GLU 163 Cb 0.00 -1.82 -0.06 0.00 1.43 0.00 0.00 31.44 30.99 3hav n GLU 163 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 177.13 177.49 3hav h MET 164 N 0.00 0.03 -0.81 3.44 2.86 -1.95 0.60 114.93 119.09 3hav h MET 164 Ca 0.00 -0.00 0.06 0.00 -2.06 0.00 0.00 59.70 57.70 3hav h MET 164 Cb 0.44 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.03 3hav h MET 164 CO 0.00 0.02 0.49 1.25 1.06 0.00 0.00 176.91 179.73 3hav h LEU 165 N 0.03 0.76 -0.41 1.22 6.46 -1.84 0.88 115.31 122.42 3hav h LEU 165 Ca 0.03 0.02 -0.06 0.00 -0.12 0.00 0.00 57.88 57.75 3hav h LEU 165 Cb 0.03 -0.14 -0.02 0.00 -0.73 0.00 0.00 40.66 39.81 3hav h LEU 165 CO -0.04 0.49 0.04 -0.08 -0.62 0.00 0.00 178.44 178.22 3hav h GLU 166 N 0.90 0.70 0.81 1.25 4.81 -1.57 0.25 114.58 121.73 3hav h GLU 166 Ca 0.36 -0.21 -0.04 0.00 -0.13 0.00 0.00 59.36 59.35 3hav h GLU 166 Cb 0.19 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.50 3hav h GLU 166 CO -0.18 0.76 -0.44 1.25 -0.73 0.00 0.00 179.01 179.68 3hav h HIS 167 N 0.55 -1.15 -0.61 0.92 2.76 0.46 -0.37 115.15 117.71 3hav h HIS 167 Ca 0.12 -0.02 0.10 0.00 -2.20 0.00 0.00 60.37 58.38 3hav h HIS 167 Cb 0.42 0.40 -0.08 0.00 1.55 0.00 0.00 27.41 29.70 3hav h HIS 167 CO 0.03 -0.68 0.19 0.82 -1.30 0.00 0.00 177.93 176.99 3hav h ILE 168 N -1.15 0.71 -0.55 6.26 2.04 0.72 -1.40 117.51 124.14 3hav h ILE 168 Ca -0.11 -0.12 0.07 0.00 1.00 0.00 0.00 64.86 65.70 3hav h ILE 168 Cb 0.90 0.33 -0.06 0.00 -0.74 0.00 0.00 36.82 37.26 3hav h ILE 168 CO 0.15 0.06 0.23 -0.08 0.00 0.00 0.00 178.15 178.51 3hav h GLU 169 N 0.35 0.41 -0.01 2.37 4.57 -0.26 -2.59 114.58 119.42 3hav h GLU 169 Ca 0.32 -0.02 -0.19 0.00 -1.18 0.00 0.00 59.36 58.29 3hav h GLU 169 Cb 0.43 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 3hav h GLU 169 CO -0.35 0.27 -0.82 1.15 -1.18 0.00 0.00 179.01 178.09 3hav h THR 170 N 0.43 1.48 -0.22 0.32 2.02 -0.42 -3.00 112.91 113.51 3hav h THR 170 Ca 0.26 -2.49 0.04 0.00 0.77 0.00 0.00 66.41 64.99 3hav h THR 170 Cb 0.26 2.37 -0.04 0.00 -1.74 0.00 0.00 68.15 69.00 3hav h THR 170 CO -0.24 0.73 -0.02 0.40 0.37 0.00 0.00 175.52 176.75 3hav h ILE 171 N 0.12 0.81 0.00 3.11 2.04 -1.03 -1.65 117.51 120.92 3hav h ILE 171 Ca -0.03 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 3hav h ILE 171 Cb 1.42 0.77 -0.00 0.00 -0.74 0.00 0.00 36.82 38.26 3hav h ILE 171 CO 0.12 0.01 -0.16 1.88 0.00 0.00 0.00 178.15 180.00 3hav h TYR 172 N 0.04 0.00 0.03 1.37 -1.99 -1.40 -1.55 116.97 113.46 3hav h TYR 172 Ca 0.11 0.00 -0.27 0.00 2.00 0.00 0.00 58.73 60.57 3hav h TYR 172 Cb 0.15 0.00 0.02 0.00 2.00 0.00 0.00 36.73 38.90 3hav h TYR 172 CO -0.21 0.16 -1.08 0.93 -0.00 0.00 0.00 178.16 177.96 3hav h GLU 173 N 0.00 0.66 -0.70 4.88 4.39 -1.35 -2.56 114.58 119.90 3hav h GLU 173 Ca -0.00 -0.74 0.08 0.00 0.34 0.00 0.00 59.36 59.04 3hav h GLU 173 Cb 0.54 0.22 -0.07 0.00 -0.10 0.00 0.00 28.75 29.35 3hav h GLU 173 CO 0.02 1.32 0.36 -0.91 -1.16 0.00 0.00 179.01 178.64 3hav h ASN 174 N 0.35 0.50 0.36 1.42 2.35 -0.73 -2.75 115.58 117.09 3hav h ASN 174 Ca -0.14 0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.64 3hav h ASN 174 Cb 1.74 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 40.07 3hav h ASN 174 CO 0.21 0.30 -0.17 0.40 -1.65 0.00 0.00 177.43 176.51 3hav h ILE 175 N 0.64 0.65 0.00 2.81 2.04 -1.29 -3.11 117.51 119.26 3hav h ILE 175 Ca 0.33 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 66.04 3hav h ILE 175 Cb 0.30 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 3hav h ILE 175 CO -0.24 0.03 0.00 -0.07 0.00 0.00 0.00 178.15 177.87 3hav h LEU 176 N -0.57 0.00 -3.36 1.44 3.38 -1.30 -1.67 115.31 113.22 3hav h LEU 176 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3hav h LEU 176 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.17 3hav h LEU 176 CO 0.08 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.20 3hav n ASN 177 N -2.57 5.28 -4.41 -0.43 3.02 -1.05 -4.68 115.26 110.41 3hav n ASN 177 Ca -0.00 -2.70 -0.45 0.00 -0.03 0.00 0.00 54.58 51.40 3hav n ASN 177 Cb 0.16 -0.64 -0.02 0.00 -0.61 0.00 0.00 39.78 38.67 3hav n ASN 177 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3hav s ASN 178 N -0.86 6.64 0.16 6.41 0.02 -0.63 -4.95 114.94 121.73 3hav s ASN 178 Ca 0.53 -2.19 -0.23 0.00 -1.02 0.00 0.00 52.86 49.95 3hav s ASN 178 Cb 0.38 -2.34 0.05 0.00 0.02 0.00 0.00 41.25 39.35 3hav s ASN 178 CO 0.20 -0.93 1.61 0.00 0.02 0.00 0.00 177.10 178.00 3hav h ALA 179 N 8.55 -0.18 -0.82 0.60 0.00 -1.88 -1.59 119.26 123.94 3hav h ALA 179 Ca 0.11 0.09 0.15 0.00 0.00 0.00 0.00 54.91 55.27 3hav h ALA 179 Cb 1.03 0.65 -0.06 0.00 0.00 0.00 0.00 17.79 19.41 3hav h ALA 179 CO 1.00 -0.72 0.54 -0.39 0.00 0.00 0.00 179.25 179.68 3hav h VAL 180 N -0.26 0.80 -0.99 0.00 -1.51 -1.92 -2.51 116.25 109.85 3hav h VAL 180 Ca 0.16 -0.17 0.18 0.00 -1.23 0.00 0.00 66.70 65.63 3hav h VAL 180 Cb 0.52 0.24 -0.10 0.00 -2.13 0.00 0.00 31.29 29.82 3hav h VAL 180 CO -0.49 0.09 0.60 0.25 -1.23 0.00 0.00 177.57 176.79 3hav h LEU 181 N 0.51 0.77 -3.15 4.19 5.85 -1.67 -0.88 115.31 120.93 3hav h LEU 181 Ca 0.41 0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.22 3hav h LEU 181 Cb 0.84 -0.05 0.00 0.00 0.37 0.00 0.00 40.66 41.82 3hav h LEU 181 CO -0.15 0.29 0.00 0.49 -0.34 0.00 0.00 178.44 178.73 3hav n PHE 182 N -4.76 1.02 -3.68 1.25 3.01 -0.95 -4.75 117.46 108.60 3hav n PHE 182 Ca 0.22 -0.69 -0.35 0.00 1.01 0.00 0.00 57.45 57.64 3hav n PHE 182 Cb 0.54 -0.23 -0.07 0.00 -0.01 0.00 0.00 39.48 39.70 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 -2.07 3.14 0.05 -1.08 2.47 -0.34 -5.03 119.74 116.89 3hav s LYS 183 Ca 0.40 -3.27 -0.09 0.00 -1.56 0.00 0.00 55.97 51.45 3hav s LYS 183 Cb 0.28 -3.88 0.00 0.00 -1.46 0.00 0.00 37.83 32.78 3hav s LYS 183 CO 0.15 -1.26 0.20 1.52 0.16 0.00 0.00 175.35 176.11 3hav s TYR 184 N -1.33 0.08 -0.47 4.03 -0.85 -1.26 -4.93 117.35 112.61 3hav s TYR 184 Ca 0.27 -0.37 -0.21 0.00 -0.52 0.00 0.00 57.07 56.24 3hav s TYR 184 Cb -0.07 -0.04 0.03 0.00 0.38 0.00 0.00 41.96 42.27 3hav s TYR 184 CO -0.13 -0.47 0.72 0.99 -1.52 0.00 0.00 175.55 175.15 3hav s THR 185 N -2.96 4.73 0.06 -3.49 2.01 -1.26 -5.00 115.64 109.72 3hav s THR 185 Ca -0.02 0.08 -0.32 0.00 0.31 0.00 0.00 61.69 61.75 3hav s THR 185 Cb 0.01 -4.31 -0.11 0.00 0.01 0.00 0.00 72.50 68.11 3hav s THR 185 CO -0.06 -0.75 1.88 -0.81 -0.69 0.00 0.00 174.62 174.19 3hav n PRO 186 N 6.54 2.68 -3.20 4.92 -0.04 -1.26 -4.56 135.00 140.07 3hav n PRO 186 Ca -0.01 0.98 -0.11 0.00 -0.04 0.00 0.00 63.50 64.31 3hav n PRO 186 Cb 0.47 -2.88 -0.04 0.00 -0.04 0.00 0.00 33.50 31.02 3hav n PRO 186 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3hav s LEU 188 N 0.00 4.18 -0.05 0.00 2.96 -1.26 -0.87 118.68 123.64 3hav s LEU 188 Ca 0.17 1.37 0.04 0.00 -0.22 0.00 0.00 54.13 55.49 3hav s LEU 188 Cb 0.01 -3.45 0.00 0.00 0.50 0.00 0.00 46.19 43.25 3hav s LEU 188 CO 0.12 -0.50 -0.16 0.54 -1.32 0.00 0.00 176.35 175.03 3hav s VAL 189 N 2.43 1.33 0.18 1.68 0.11 -0.68 -4.17 120.40 121.28 3hav s VAL 189 Ca 0.44 -0.65 -0.13 0.00 -2.93 0.00 0.00 61.98 58.70 3hav s VAL 189 Cb -0.17 -1.16 0.08 0.00 -1.53 0.00 0.00 36.38 33.60 3hav s VAL 189 CO 0.12 0.39 1.83 -0.74 -3.33 0.00 0.00 175.10 173.37 3hav h HIS 190 N 6.39 0.74 0.00 1.54 2.76 -1.93 -2.66 115.15 121.99 3hav h HIS 190 Ca -0.32 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.86 3hav h HIS 190 Cb 1.18 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.89 3hav h HIS 190 CO 0.45 0.49 0.00 -1.71 -1.30 0.00 0.00 177.93 175.85 3hav n ASN 191 N -4.66 0.00 -2.79 3.26 5.15 -1.26 -3.27 115.26 111.69 3hav n ASN 191 Ca 0.04 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 54.00 3hav n ASN 191 Cb 0.04 0.00 0.07 0.00 -0.53 0.00 0.00 39.78 39.36 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 0.80 -4.56 1.20 2.03 -1.26 -4.96 116.55 109.80 3hav n ASP 192 Ca 0.00 -2.13 -0.28 0.00 0.52 0.00 0.00 54.79 52.91 3hav n ASP 192 Cb 0.00 -0.19 -0.05 0.00 -0.72 0.00 0.00 41.12 40.16 3hav n ASP 192 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 3hav s PHE 193 N -2.78 1.87 0.23 -0.67 5.36 -1.26 -4.76 117.98 115.97 3hav s PHE 193 Ca 0.23 0.51 0.02 0.00 -0.96 0.00 0.00 56.93 56.73 3hav s PHE 193 Cb 0.36 -4.08 -0.05 0.00 -0.34 0.00 0.00 43.02 38.91 3hav s PHE 193 CO -0.06 -1.69 0.05 0.45 -1.46 0.00 0.00 175.22 172.51 3hav s SER 194 N 7.66 1.37 0.34 6.13 0.15 -1.26 -4.46 113.70 123.62 3hav s SER 194 Ca 0.68 -1.30 0.02 0.00 0.70 0.00 0.00 55.95 56.05 3hav s SER 194 Cb -0.06 0.11 0.60 0.00 -1.71 0.00 0.00 66.02 64.96 3hav s SER 194 CO 0.00 -0.64 1.98 0.00 1.20 0.00 0.00 173.24 175.78 3hav h ALA 195 N 2.47 1.54 0.00 5.45 0.00 -1.94 -0.92 119.26 125.86 3hav h ALA 195 Ca -0.38 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3hav h ALA 195 Cb 1.23 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3hav h ALA 195 CO 0.62 0.40 0.00 0.27 0.00 0.00 0.00 179.25 180.55 3hav n ASN 196 N -4.44 0.64 -1.06 0.00 6.94 -1.26 -1.82 115.26 114.25 3hav n ASN 196 Ca 0.09 0.71 0.04 0.00 -0.02 0.00 0.00 54.58 55.39 3hav n ASN 196 Cb 0.08 -0.82 0.24 0.00 -2.36 0.00 0.00 39.78 36.93 3hav n ASN 196 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 3hav n ASN 197 N -2.26 3.56 -4.18 0.53 3.02 -0.36 -4.98 115.26 110.60 3hav n ASN 197 Ca 0.01 -3.25 -0.24 0.00 -0.03 0.00 0.00 54.58 51.06 3hav n ASN 197 Cb 0.15 -0.59 -0.15 0.00 -0.61 0.00 0.00 39.78 38.58 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 -2.97 1.34 -0.20 3.52 -1.94 -0.75 -1.91 119.30 116.40 3hav s MET 198 Ca 0.44 -0.70 -0.07 0.00 -1.71 0.00 0.00 55.69 53.65 3hav s MET 198 Cb 0.37 -1.33 -0.04 0.00 2.01 0.00 0.00 34.83 35.84 3hav s MET 198 CO 0.07 0.36 0.06 0.42 -0.01 0.00 0.00 175.02 175.91 3hav s ILE 199 N -0.54 4.58 0.09 2.53 -1.09 0.35 -4.96 121.20 122.17 3hav s ILE 199 Ca 0.06 -0.10 0.06 0.00 -2.23 0.00 0.00 60.65 58.45 3hav s ILE 199 Cb -0.07 -3.08 -0.04 0.00 -1.58 0.00 0.00 42.46 37.69 3hav s ILE 199 CO 0.00 0.43 -0.08 -0.36 -1.23 0.00 0.00 174.94 173.70 3hav s PHE 200 N 0.73 2.80 -0.04 3.97 0.40 -1.17 -0.24 117.98 124.43 3hav s PHE 200 Ca 0.03 -0.12 -0.02 0.00 -0.60 0.00 0.00 56.93 56.22 3hav s PHE 200 Cb -0.13 -1.47 0.03 0.00 0.51 0.00 0.00 43.02 41.96 3hav s PHE 200 CO 0.02 0.43 0.05 1.03 0.70 0.00 0.00 175.22 177.45 3hav s ARG 201 N -2.15 -0.05 -1.26 0.44 0.52 0.47 0.13 118.95 117.05 3hav s ARG 201 Ca 0.22 0.33 -0.00 0.00 -0.52 0.00 0.00 55.73 55.76 3hav s ARG 201 Cb -0.11 -0.47 -0.00 0.00 0.52 0.00 0.00 34.95 34.89 3hav s ARG 201 CO 0.14 -0.29 0.82 0.09 0.02 0.00 0.00 175.30 176.07 3hav n ASN 202 N 5.06 -1.53 -1.66 0.23 5.03 -1.26 -1.65 115.26 119.48 3hav n ASN 202 Ca -0.08 -0.74 -0.19 0.00 0.87 0.00 0.00 54.58 54.44 3hav n ASN 202 Cb 0.50 -4.49 -0.07 0.00 -1.02 0.00 0.00 39.78 34.70 3hav n ASN 202 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 3hav n ASN 203 N -3.09 -5.04 -4.24 6.41 3.02 -1.26 -4.96 115.26 106.10 3hav n ASN 203 Ca -0.30 0.41 -0.22 0.00 -0.03 0.00 0.00 54.58 54.45 3hav n ASN 203 Cb 0.67 -4.46 -0.12 0.00 -0.61 0.00 0.00 39.78 35.26 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 -3.79 1.01 0.25 3.52 1.81 -0.66 -4.53 118.95 116.56 3hav s ARG 204 Ca 0.00 -1.06 -0.30 0.00 -1.72 0.00 0.00 55.73 52.64 3hav s ARG 204 Cb 0.00 -1.16 -0.11 0.00 -0.45 0.00 0.00 34.95 33.23 3hav s ARG 204 CO 0.00 0.27 1.55 -1.17 -0.68 0.00 0.00 175.30 175.27 3hav s LEU 205 N -1.80 4.37 0.00 2.53 2.96 -1.26 -0.40 118.68 125.08 3hav s LEU 205 Ca 0.03 2.79 0.00 0.00 -0.22 0.00 0.00 54.13 56.73 3hav s LEU 205 Cb -0.10 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 42.97 3hav s LEU 205 CO 0.03 -0.84 0.00 0.33 -1.32 0.00 0.00 176.35 174.56 3hav n PHE 206 N 2.75 0.00 -3.57 5.38 7.35 0.66 -4.77 117.46 125.26 3hav n PHE 206 Ca 0.10 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.69 3hav n PHE 206 Cb 0.38 0.00 -0.02 0.00 0.35 0.00 0.00 39.48 40.19 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 -3.42 -0.43 -0.05 7.13 0.00 -0.79 -2.18 107.32 107.57 3hav s GLY 207 Ca 0.00 0.34 0.02 0.00 0.00 0.00 0.00 44.72 45.08 3hav s GLY 207 CO 0.00 0.11 -0.09 0.14 0.00 0.00 0.00 173.10 173.26 3hav s VAL 208 N -3.66 0.88 0.21 1.40 1.01 -0.27 -0.50 120.40 119.48 3hav s VAL 208 Ca 0.05 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.70 3hav s VAL 208 Cb -0.02 -0.82 -0.00 0.00 0.00 0.00 0.00 36.38 35.53 3hav s VAL 208 CO -0.06 0.29 0.04 2.30 0.00 0.00 0.00 175.10 177.67 3hav n ILE 209 N 3.80 0.00 -3.25 2.22 -5.35 -0.80 -4.09 119.36 111.89 3hav n ILE 209 Ca -0.23 -1.13 -0.13 0.00 -0.27 0.00 0.00 62.75 60.98 3hav n ILE 209 Cb 0.52 0.33 0.05 0.00 -1.74 0.00 0.00 39.64 38.80 3hav n ILE 209 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3hav n ASP 210 N -1.52 -6.77 -1.00 7.28 9.92 -1.26 -4.83 116.55 118.37 3hav n ASP 210 Ca -0.06 -0.61 0.04 0.00 -0.53 0.00 0.00 54.79 53.63 3hav n ASP 210 Cb 0.30 -5.07 0.18 0.00 -0.64 0.00 0.00 41.12 35.88 3hav n ASP 210 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3hav n PHE 211 N -3.02 0.82 0.20 1.24 3.72 -1.26 -4.51 117.46 114.65 3hav n PHE 211 Ca -0.06 -0.30 0.16 0.00 -0.05 0.00 0.00 57.45 57.19 3hav n PHE 211 Cb 0.60 -0.21 0.79 0.00 -0.94 0.00 0.00 39.48 39.71 3hav n PHE 211 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3hav h GLY 212 N 4.74 0.00 -1.67 1.37 0.00 -1.90 -1.46 103.07 104.15 3hav h GLY 212 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.25 3hav h GLY 212 CO 0.17 0.00 -0.02 1.34 0.00 0.00 0.00 176.54 178.02 3hav n ASP 213 N -4.01 3.17 -4.15 0.19 4.64 -1.26 -4.86 116.55 110.28 3hav n ASP 213 Ca 0.01 -3.34 -0.29 0.00 -1.38 0.00 0.00 54.79 49.79 3hav n ASP 213 Cb 0.30 -0.58 0.25 0.00 -1.04 0.00 0.00 41.12 40.05 3hav n ASP 213 CO 0.00 0.00 0.00 0.72 -0.82 0.00 0.00 177.20 177.10 3hav s PHE 214 N -3.01 0.79 0.04 -0.67 -0.71 -0.55 -4.62 117.98 109.24 3hav s PHE 214 Ca 0.43 0.89 -0.28 0.00 -1.04 0.00 0.00 56.93 56.93 3hav s PHE 214 Cb 0.37 -3.09 0.10 0.00 -1.21 0.00 0.00 43.02 39.18 3hav s PHE 214 CO 0.05 -4.11 1.21 0.54 -1.34 0.00 0.00 175.22 171.56 3hav s ASN 215 N -2.96 -0.04 -0.44 1.98 2.20 -1.00 -5.00 114.94 109.69 3hav s ASN 215 Ca 0.68 -0.28 -0.14 0.00 -0.94 0.00 0.00 52.86 52.19 3hav s ASN 215 Cb -0.19 0.25 0.06 0.00 -2.00 0.00 0.00 41.25 39.36 3hav s ASN 215 CO 0.61 -0.48 0.33 -0.69 -2.94 0.00 0.00 177.10 173.93 3hav s VAL 216 N -2.36 4.98 0.00 3.54 1.01 -0.60 -1.69 120.40 125.29 3hav s VAL 216 Ca 0.20 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 61.17 3hav s VAL 216 Cb 0.01 -3.91 0.00 0.00 0.00 0.00 0.00 36.38 32.48 3hav s VAL 216 CO -0.01 -0.46 0.00 0.61 0.00 0.00 0.00 175.10 175.24 3hav n GLY 217 N 5.12 2.57 3.66 4.51 0.00 -0.05 -1.71 105.19 119.29 3hav n GLY 217 Ca -0.12 -0.11 -0.43 0.00 0.00 0.00 0.00 46.02 45.37 3hav n GLY 217 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3hav s ASP 218 N 2.00 7.04 0.56 1.61 3.68 -1.26 -0.18 116.67 130.11 3hav s ASP 218 Ca 0.00 1.54 0.27 0.00 2.13 0.00 0.00 52.55 56.49 3hav s ASP 218 Cb 0.00 -2.54 1.47 0.00 -1.45 0.00 0.00 42.92 40.40 3hav s ASP 218 CO 0.00 -0.69 1.99 1.55 0.13 0.00 0.00 175.17 178.14 3hav h PRO 219 N 7.75 0.00 0.00 4.34 0.13 -1.89 -1.42 132.00 140.92 3hav h PRO 219 Ca -0.23 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3hav h PRO 219 Cb 1.09 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 3hav h PRO 219 CO 0.97 0.00 -0.01 -0.44 -0.23 0.00 0.00 178.00 178.29 3hav h ASP 220 N 0.00 0.00 -0.88 1.44 3.32 -1.97 -0.82 116.42 117.51 3hav h ASP 220 Ca 0.22 0.00 0.21 0.00 0.02 0.00 0.00 57.03 57.47 3hav h ASP 220 Cb 0.99 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.47 3hav h ASP 220 CO -0.00 0.01 0.59 0.78 -1.72 0.00 0.00 179.24 178.90 3hav h ASN 221 N 0.00 0.35 -0.15 6.45 2.35 -1.66 -0.69 115.58 122.23 3hav h ASN 221 Ca -0.00 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 3hav h ASN 221 Cb 0.09 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.43 3hav h ASN 221 CO 0.00 0.14 0.00 0.47 -1.65 0.00 0.00 177.43 176.39 3hav n ASP 222 N -4.48 0.99 -0.00 5.81 10.43 -0.31 -2.87 116.55 126.11 3hav n ASP 222 Ca 0.19 -2.03 0.02 0.00 2.57 0.00 0.00 54.79 55.54 3hav n ASP 222 Cb 0.72 -0.17 -0.03 0.00 1.84 0.00 0.00 41.12 43.48 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 -0.03 0.00 -0.33 1.24 3.01 -0.27 -4.72 117.46 116.36 3hav n PHE 223 Ca 0.05 0.00 0.15 0.00 1.01 0.00 0.00 57.45 58.66 3hav n PHE 223 Cb 0.18 -0.08 0.38 0.00 -0.01 0.00 0.00 39.48 39.95 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 0.68 0.00 4.37 3.38 -1.44 -0.00 115.31 122.30 3hav h LEU 224 Ca 0.00 0.08 -0.16 0.00 0.09 0.00 0.00 57.88 57.89 3hav h LEU 224 Cb 0.18 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.87 3hav h LEU 224 CO 0.00 0.25 -0.95 0.00 0.09 0.00 0.00 178.44 177.83 3hav h LEU 226 N 0.00 0.03 -7.01 0.00 3.38 -1.25 -3.38 115.31 107.08 3hav h LEU 226 Ca -0.07 -0.02 -0.61 0.00 0.09 0.00 0.00 57.88 57.27 3hav h LEU 226 Cb 1.59 -0.01 -0.40 0.00 0.09 0.00 0.00 40.66 41.93 3hav h LEU 226 CO 0.08 0.66 -0.72 -1.48 0.09 0.00 0.00 178.44 177.07 3hav s LEU 227 N -7.59 3.01 0.00 1.67 0.05 -0.71 -3.42 118.68 111.69 3hav s LEU 227 Ca -0.01 -2.80 0.00 0.00 0.05 0.00 0.00 54.13 51.36 3hav s LEU 227 Cb 0.12 -1.13 0.00 0.00 -2.05 0.00 0.00 46.19 43.13 3hav s LEU 227 CO 0.77 -0.24 0.00 -0.90 -0.55 0.00 0.00 176.35 175.43 3hav n ASP 228 N 3.31 0.00 -0.20 1.48 5.75 -1.26 -4.81 116.55 120.83 3hav n ASP 228 Ca 0.10 -0.49 0.00 0.00 -0.01 0.00 0.00 54.79 54.39 3hav n ASP 228 Cb 0.35 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.44 3hav n ASP 228 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3hav n SER 230 N -0.35 -3.52 0.31 0.00 7.64 -1.26 -4.48 113.62 111.96 3hav n SER 230 Ca 0.00 0.68 0.18 0.00 1.01 0.00 0.00 58.87 60.74 3hav n SER 230 Cb 0.00 -2.15 0.93 0.00 -1.01 0.00 0.00 64.21 61.99 3hav n SER 230 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hav h THR 231 N -0.54 0.09 -4.16 0.44 1.03 -2.02 -3.41 112.91 104.35 3hav h THR 231 Ca -0.08 0.00 -0.54 0.00 -0.01 0.00 0.00 66.41 65.78 3hav h THR 231 Cb 0.59 0.78 0.16 0.00 -1.07 0.00 0.00 68.15 68.61 3hav h THR 231 CO 0.03 0.00 0.42 1.51 -0.01 0.00 0.00 175.52 177.47 3hav s ASP 232 N -4.87 4.23 0.96 0.00 1.47 -1.26 -4.56 116.67 112.64 3hav s ASP 232 Ca -0.04 2.43 0.00 0.00 1.18 0.00 0.00 52.55 56.12 3hav s ASP 232 Cb 0.11 -2.60 0.00 0.00 -0.34 0.00 0.00 42.92 40.09 3hav s ASP 232 CO 0.37 -2.24 0.00 0.47 0.68 0.00 0.00 175.17 174.45 3hav n ASP 233 N -2.56 0.00 -0.56 2.11 9.92 -1.26 -3.70 116.55 120.51 3hav n ASP 233 Ca 0.14 0.00 0.05 0.00 -0.53 0.00 0.00 54.79 54.45 3hav n ASP 233 Cb 0.50 0.00 0.09 0.00 -0.64 0.00 0.00 41.12 41.06 3hav n ASP 233 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3hav n PHE 234 N 14.00 0.00 0.00 1.24 0.99 -1.26 -3.30 117.46 129.13 3hav n PHE 234 Ca 0.00 -0.68 0.00 0.00 -0.00 0.00 0.00 57.45 56.77 3hav n PHE 234 Cb 0.00 -0.14 0.00 0.00 -1.00 0.00 0.00 39.48 38.34 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 -0.58 -1.53 0.24 1.37 0.00 -1.24 -4.15 105.19 99.30 3hav n GLY 235 Ca 0.10 -1.55 0.08 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.21 1.61 1.57 -1.90 -3.00 116.57 114.64 3hav h LYS 236 Ca 0.00 0.00 0.06 0.00 -1.87 0.00 0.00 60.65 58.84 3hav h LYS 236 Cb 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.24 3hav h LYS 236 CO 0.00 0.15 -0.33 0.93 -0.57 0.00 0.00 179.45 179.63 3hav h GLU 237 N 0.00 -0.35 -0.60 3.15 4.39 -1.87 0.47 114.58 119.77 3hav h GLU 237 Ca -0.00 0.02 0.03 0.00 0.34 0.00 0.00 59.36 59.75 3hav h GLU 237 Cb 0.29 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.99 3hav h GLU 237 CO 0.02 -0.23 0.40 0.35 -1.16 0.00 0.00 179.01 178.39 3hav h PHE 238 N -0.36 0.70 0.00 4.33 3.04 -1.69 -1.99 116.94 120.98 3hav h PHE 238 Ca 0.12 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.08 3hav h PHE 238 Cb 0.55 -0.24 0.00 0.00 2.56 0.00 0.00 35.95 38.82 3hav h PHE 238 CO -0.45 0.42 0.00 0.41 -2.02 0.00 0.00 178.31 176.67 3hav n GLY 239 N -1.45 -0.84 0.10 2.40 0.00 0.10 -0.97 105.19 104.53 3hav n GLY 239 Ca 0.07 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 45.91 3hav n GLY 239 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hav n ARG 240 N -1.38 0.85 0.24 1.61 1.74 -0.78 -4.35 116.66 114.59 3hav n ARG 240 Ca 0.05 0.07 -0.16 0.00 -0.77 0.00 0.00 57.85 57.03 3hav n ARG 240 Cb 0.13 -1.43 -0.08 0.00 -1.02 0.00 0.00 32.46 30.05 3hav n ARG 240 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3hav h LYS 241 N 0.00 -0.79 -6.46 5.56 1.57 -1.15 -2.92 116.57 112.38 3hav h LYS 241 Ca -0.47 0.05 -0.54 0.00 -1.87 0.00 0.00 60.65 57.82 3hav h LYS 241 Cb 1.88 0.18 0.01 0.00 0.08 0.00 0.00 32.23 34.38 3hav h LYS 241 CO -0.03 -0.53 0.79 0.08 -0.57 0.00 0.00 179.45 179.19 3hav s VAL 242 N -5.96 3.48 0.00 0.50 1.01 -0.14 -2.27 120.40 117.02 3hav s VAL 242 Ca -0.17 0.98 0.00 0.00 0.00 0.00 0.00 61.98 62.79 3hav s VAL 242 Cb 0.05 -3.63 0.00 0.00 0.00 0.00 0.00 36.38 32.80 3hav s VAL 242 CO 0.62 0.04 0.00 0.18 0.00 0.00 0.00 175.10 175.94 3hav n LEU 243 N 4.69 0.00 -0.19 3.92 4.77 -1.26 -4.57 117.00 124.36 3hav n LEU 243 Ca 0.12 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 56.01 3hav n LEU 243 Cb 0.43 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.54 3hav n LEU 243 CO 0.59 0.00 0.77 0.50 -1.33 0.00 0.00 177.39 177.92 3hav h LYS 244 N 0.00 1.05 0.00 3.23 1.63 -1.33 -0.41 116.57 120.74 3hav h LYS 244 Ca 0.00 -0.37 0.00 0.00 -0.85 0.00 0.00 60.65 59.43 3hav h LYS 244 Cb 0.00 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 31.55 3hav h LYS 244 CO 0.00 1.07 -0.17 1.88 -3.45 0.00 0.00 179.45 178.78 3hav h TYR 245 N 0.94 0.00 0.00 1.91 -1.99 -1.72 -2.63 116.97 113.49 3hav h TYR 245 Ca 0.15 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.88 3hav h TYR 245 Cb 0.64 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.37 3hav h TYR 245 CO 0.04 0.00 0.00 0.98 -0.00 0.00 0.00 178.16 179.18 3hav n TYR 246 N -2.74 0.36 -3.54 4.88 4.19 -0.89 -4.80 117.16 114.62 3hav n TYR 246 Ca 0.04 0.11 -0.24 0.00 3.31 0.00 0.00 57.90 61.11 3hav n TYR 246 Cb 0.50 -0.67 0.05 0.00 0.49 0.00 0.00 39.34 39.71 3hav n TYR 246 CO 0.00 0.00 0.00 1.04 0.91 0.00 0.00 176.86 178.81 3hav n GLN 247 N -1.80 -2.20 -3.06 2.98 6.02 -0.25 -4.94 117.38 114.14 3hav n GLN 247 Ca 0.06 0.62 -0.40 0.00 -0.01 0.00 0.00 57.00 57.28 3hav n GLN 247 Cb 0.37 -4.87 -0.05 0.00 1.02 0.00 0.00 30.24 26.71 3hav n GLN 247 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 3hav s HIS 248 N -3.47 3.66 0.10 1.08 2.46 -0.68 -4.99 115.29 113.45 3hav s HIS 248 Ca 0.39 1.32 -0.27 0.00 0.47 0.00 0.00 55.06 56.98 3hav s HIS 248 Cb -0.10 -2.77 -0.11 0.00 -0.13 0.00 0.00 32.58 29.47 3hav s HIS 248 CO 0.81 0.22 1.66 -0.22 -2.47 0.00 0.00 174.74 174.74 3hav h LYS 249 N 6.09 -0.40 -2.97 2.88 3.64 -1.92 -3.36 116.57 120.53 3hav h LYS 249 Ca -0.43 0.03 -0.64 0.00 -1.27 0.00 0.00 60.65 58.33 3hav h LYS 249 Cb 1.20 0.09 -0.40 0.00 -0.41 0.00 0.00 32.23 32.71 3hav h LYS 249 CO 0.72 -0.27 -0.41 0.00 -2.27 0.00 0.00 179.45 177.22 3hav n ALA 250 N -2.48 3.69 0.13 5.00 0.00 -1.26 -4.91 120.51 120.69 3hav n ALA 250 Ca -0.07 -4.61 0.17 0.00 0.00 0.00 0.00 53.44 48.93 3hav n ALA 250 Cb 0.24 -1.21 0.74 0.00 0.00 0.00 0.00 19.45 19.22 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 5.31 0.00 0.12 0.00 0.11 -1.97 -2.10 132.00 133.47 3hav h PRO 251 Ca 0.16 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 66.00 3hav h PRO 251 Cb 0.74 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.86 3hav h PRO 251 CO 0.79 0.00 -1.28 0.93 -0.21 0.00 0.00 178.00 178.24 3hav h GLU 252 N 0.00 0.26 0.14 1.05 5.08 -1.96 -3.31 114.58 115.84 3hav h GLU 252 Ca 0.14 -0.44 -0.01 0.00 -1.00 0.00 0.00 59.36 58.05 3hav h GLU 252 Cb 0.62 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.03 3hav h GLU 252 CO -0.00 1.19 -0.07 0.28 -1.00 0.00 0.00 179.01 179.41 3hav h VAL 253 N 0.07 0.94 -0.76 3.13 2.07 -1.80 -2.10 116.25 117.79 3hav h VAL 253 Ca -0.14 -0.34 0.18 0.00 0.82 0.00 0.00 66.70 67.21 3hav h VAL 253 Cb 1.97 1.15 -0.12 0.00 -1.52 0.00 0.00 31.29 32.77 3hav h VAL 253 CO 0.19 0.08 0.12 0.00 0.02 0.00 0.00 177.57 177.98 3hav h ALA 254 N 0.48 0.93 -0.52 1.67 0.00 -1.68 0.35 119.26 120.49 3hav h ALA 254 Ca -0.02 0.21 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3hav h ALA 254 Cb 0.28 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3hav h ALA 254 CO 0.03 -0.40 0.27 0.93 0.00 0.00 0.00 179.25 180.08 3hav h GLU 255 N 0.19 0.74 -0.28 0.00 5.08 -1.61 -1.17 114.58 117.54 3hav h GLU 255 Ca 0.43 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.68 3hav h GLU 255 Cb 0.78 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 3hav h GLU 255 CO -0.59 0.60 0.13 -0.09 -1.00 0.00 0.00 179.01 178.06 3hav h ARG 256 N 0.70 0.40 -0.69 2.33 1.12 -0.17 -1.30 114.38 116.77 3hav h ARG 256 Ca 0.18 -0.06 0.06 0.00 -1.11 0.00 0.00 59.98 59.06 3hav h ARG 256 Cb 0.09 -0.07 -0.04 0.00 -0.01 0.00 0.00 29.97 29.94 3hav h ARG 256 CO -0.03 0.39 0.45 0.87 -3.11 0.00 0.00 179.97 178.54 3hav h LYS 257 N 0.32 0.68 -0.56 0.20 1.57 -0.21 0.25 116.57 118.82 3hav h LYS 257 Ca 0.10 -0.04 -0.09 0.00 -1.87 0.00 0.00 60.65 58.75 3hav h LYS 257 Cb 0.12 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 3hav h LYS 257 CO -0.01 0.45 -0.00 0.00 -0.57 0.00 0.00 179.45 179.31 3hav h ALA 258 N 1.63 0.95 -0.11 3.86 0.00 -0.56 -1.38 119.26 123.65 3hav h ALA 258 Ca 0.30 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3hav h ALA 258 Cb 0.27 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 3hav h ALA 258 CO -0.10 0.63 -0.08 0.93 0.00 0.00 0.00 179.25 180.64 3hav h GLU 259 N 0.88 0.24 -0.11 0.00 5.08 0.12 -1.30 114.58 119.49 3hav h GLU 259 Ca 0.16 -0.12 0.03 0.00 -1.00 0.00 0.00 59.36 58.43 3hav h GLU 259 Cb 0.52 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 3hav h GLU 259 CO 0.03 0.63 0.08 -0.07 -1.00 0.00 0.00 179.01 178.68 3hav h LEU 260 N -0.15 0.00 -0.04 1.33 3.38 -0.56 -1.13 115.31 118.14 3hav h LEU 260 Ca 0.02 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.77 3hav h LEU 260 Cb 0.57 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 3hav h LEU 260 CO 0.02 0.00 -1.03 -1.13 0.09 0.00 0.00 178.44 176.39 3hav h ASN 261 N 0.00 0.17 -0.26 -0.43 -1.24 -1.04 -2.60 115.58 110.18 3hav h ASN 261 Ca 0.05 -0.17 -0.10 0.00 0.71 0.00 0.00 56.30 56.78 3hav h ASN 261 Cb 0.21 -0.05 -0.02 0.00 0.73 0.00 0.00 38.32 39.19 3hav h ASN 261 CO -0.00 1.09 -0.20 -0.78 -1.29 0.00 0.00 177.43 176.25 3hav h ASP 262 N 0.04 0.72 0.09 1.15 -0.00 -0.07 -2.52 116.42 115.83 3hav h ASP 262 Ca -0.05 -0.24 -0.10 0.00 -0.00 0.00 0.00 57.03 56.63 3hav h ASP 262 Cb 1.76 -0.20 -0.01 0.00 -0.00 0.00 0.00 39.33 40.88 3hav h ASP 262 CO 0.15 0.91 -0.34 0.58 -0.00 0.00 0.00 179.24 180.54 3hav h VAL 263 N 0.63 1.28 0.00 2.25 2.07 -1.30 -2.57 116.25 118.62 3hav h VAL 263 Ca 0.09 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.22 3hav h VAL 263 Cb 0.68 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 3hav h VAL 263 CO 0.05 0.43 0.00 0.00 0.02 0.00 0.00 177.57 178.07 3hav n TYR 264 N -4.07 0.48 -0.34 1.57 9.36 -0.96 -3.53 117.16 119.66 3hav n TYR 264 Ca -0.01 0.20 0.08 0.00 3.32 0.00 0.00 57.90 61.49 3hav n TYR 264 Cb 0.44 -0.82 0.27 0.00 -0.63 0.00 0.00 39.34 38.60 3hav n TYR 264 CO 0.00 0.00 0.00 2.35 0.22 0.00 0.00 176.86 179.43 3hav h TRP 265 N 0.00 1.07 0.31 2.98 -0.00 -1.30 -2.03 115.95 116.98 3hav h TRP 265 Ca 0.00 0.03 -0.00 0.00 -0.00 0.00 0.00 58.89 58.92 3hav h TRP 265 Cb 0.25 -0.34 -0.01 0.00 -0.00 0.00 0.00 29.16 29.05 3hav h TRP 265 CO 0.00 0.44 -0.25 0.66 -0.00 0.00 0.00 178.44 179.28 3hav h SER 266 N 0.94 -0.67 -1.00 2.65 4.64 -1.79 -0.52 113.55 117.80 3hav h SER 266 Ca 0.48 0.05 0.15 0.00 -0.47 0.00 0.00 61.79 62.00 3hav h SER 266 Cb 0.50 0.22 -0.09 0.00 -0.31 0.00 0.00 62.40 62.71 3hav h SER 266 CO -0.24 -0.38 0.62 0.40 -0.87 0.00 0.00 176.83 176.36 3hav h ILE 267 N -0.58 0.83 0.72 0.95 2.04 -1.64 -2.45 117.51 117.39 3hav h ILE 267 Ca -0.02 -0.30 -0.04 0.00 1.00 0.00 0.00 64.86 65.50 3hav h ILE 267 Cb 0.51 -0.13 0.01 0.00 -0.74 0.00 0.00 36.82 36.46 3hav h ILE 267 CO -0.02 0.16 -0.35 0.44 0.00 0.00 0.00 178.15 178.38 3hav h ASP 268 N 0.89 -0.82 -1.13 1.72 3.32 -0.78 -2.33 116.42 117.28 3hav h ASP 268 Ca 0.53 0.01 0.32 0.00 0.02 0.00 0.00 57.03 57.91 3hav h ASP 268 Cb 0.67 0.21 -0.09 0.00 0.22 0.00 0.00 39.33 40.34 3hav h ASP 268 CO -0.31 -0.55 0.74 1.56 -1.72 0.00 0.00 179.24 178.96 3hav h GLN 269 N -1.03 0.26 0.06 3.56 4.20 -0.66 0.12 115.11 121.62 3hav h GLN 269 Ca -0.10 -0.02 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 3hav h GLN 269 Cb 0.76 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 28.48 3hav h GLN 269 CO 0.16 0.17 -0.03 0.82 -0.67 0.00 0.00 178.83 179.29 3hav h ILE 270 N 0.27 1.22 -0.37 2.54 2.04 -1.29 -3.20 117.51 118.73 3hav h ILE 270 Ca 0.64 -1.00 -0.19 0.00 1.00 0.00 0.00 64.86 65.31 3hav h ILE 270 Cb 1.86 1.86 -0.11 0.00 -0.74 0.00 0.00 36.82 39.69 3hav h ILE 270 CO -0.28 0.25 0.25 2.30 0.00 0.00 0.00 178.15 180.66 3hav n ILE 271 N -4.92 1.87 -0.17 -0.67 -5.35 0.28 -3.16 119.36 107.25 3hav n ILE 271 Ca -0.08 -0.75 0.00 0.00 -0.27 0.00 0.00 62.75 61.64 3hav n ILE 271 Cb 0.24 -0.85 0.00 0.00 -1.74 0.00 0.00 39.64 37.29 3hav n ILE 271 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 3hav n TYR 272 N -0.05 0.00 -3.30 4.28 4.02 -0.37 -4.99 117.16 116.76 3hav n TYR 272 Ca 0.22 -0.37 -0.43 0.00 -0.01 0.00 0.00 57.90 57.31 3hav n TYR 272 Cb 0.90 -0.04 -0.08 0.00 -0.02 0.00 0.00 39.34 40.10 3hav n TYR 272 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3hav s GLY 273 N -0.74 1.87 -0.10 2.72 0.00 -1.19 -5.03 107.32 104.86 3hav s GLY 273 Ca 0.00 -1.48 0.14 0.00 0.00 0.00 0.00 44.72 43.37 3hav s GLY 273 CO 0.00 1.21 1.34 -1.72 0.00 0.00 0.00 173.10 173.92 3hav n TYR 274 N 5.68 0.70 0.00 1.90 4.01 -1.26 -5.10 117.16 123.09 3hav n TYR 274 Ca -0.07 -0.71 0.00 0.00 -0.16 0.00 0.00 57.90 56.96 3hav n TYR 274 Cb 0.47 -0.18 0.00 0.00 -0.31 0.00 0.00 39.34 39.32 3hav n TYR 274 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3hav n ASP 278 N -0.09 0.00 -0.81 7.72 -0.08 -1.26 -5.20 116.55 116.83 3hav n ASP 278 Ca 0.17 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.45 3hav n ASP 278 Cb 0.68 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 44.13 3hav n ASP 278 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 3hav n ARG 279 N 1.59 -2.12 0.00 -0.67 1.74 -1.26 -4.76 116.66 111.18 3hav n ARG 279 Ca 0.00 1.65 0.11 0.00 -0.77 0.00 0.00 57.85 58.84 3hav n ARG 279 Cb 0.00 -2.08 0.07 0.00 -1.02 0.00 0.00 32.46 29.43 3hav n ARG 279 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 3hav n GLU 280 N -2.15 1.94 0.27 5.56 0.28 -1.26 -4.20 120.64 121.07 3hav n GLU 280 Ca -0.00 -1.64 0.11 0.00 -0.16 0.00 0.00 57.16 55.47 3hav n GLU 280 Cb 0.26 -1.43 0.72 0.00 1.43 0.00 0.00 31.44 32.42 3hav n GLU 280 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3hav h MET 281 N 3.93 0.00 0.00 3.44 -0.00 -1.91 -0.17 114.93 120.23 3hav h MET 281 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 3hav h MET 281 Cb 0.89 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.49 3hav h MET 281 CO 0.00 0.07 0.00 -0.07 -0.00 0.00 0.00 176.91 176.91 3hav h LEU 282 N 0.00 0.00 0.01 -0.10 3.38 -1.73 0.13 115.31 117.00 3hav h LEU 282 Ca -0.00 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.60 3hav h LEU 282 Cb 0.15 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 40.84 3hav h LEU 282 CO 0.01 0.00 -2.33 -0.38 0.09 0.00 0.00 178.44 175.83 3hav n ILE 283 N -2.58 1.45 0.48 1.22 -0.00 -0.16 -3.36 119.36 116.42 3hav n ILE 283 Ca 0.00 -0.78 0.12 0.00 -0.00 0.00 0.00 62.75 62.09 3hav n ILE 283 Cb 0.18 -0.80 0.46 0.00 -0.00 0.00 0.00 39.64 39.48 3hav n ILE 283 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 3hav n LYS 284 N -2.93 0.18 -0.07 0.38 4.01 -0.65 -3.28 118.16 115.80 3hav n LYS 284 Ca -0.34 0.34 -0.19 0.00 -0.51 0.00 0.00 58.31 57.61 3hav n LYS 284 Cb 1.10 -1.80 -0.13 0.00 -0.51 0.00 0.00 35.03 33.69 3hav n LYS 284 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3hav n GLY 285 N 0.32 -0.45 0.29 0.72 0.00 0.38 -3.53 105.19 102.92 3hav n GLY 285 Ca 0.03 -0.22 0.17 0.00 0.00 0.00 0.00 46.02 46.00 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 0.03 0.19 0.09 1.61 2.07 -1.57 -1.63 116.25 117.05 3hav h VAL 286 Ca -0.51 -0.38 -0.27 0.00 0.82 0.00 0.00 66.70 66.35 3hav h VAL 286 Cb 1.96 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 33.03 3hav h VAL 286 CO -0.01 0.04 -1.41 0.28 0.02 0.00 0.00 177.57 176.49 3hav h SER 287 N 0.00 0.30 0.38 0.57 0.02 -1.73 -3.28 113.55 109.81 3hav h SER 287 Ca -0.00 -0.81 0.00 0.00 -0.84 0.00 0.00 61.79 60.14 3hav h SER 287 Cb 0.31 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.75 3hav h SER 287 CO 0.01 1.61 0.00 -0.33 -1.14 0.00 0.00 176.83 176.97 3hav h GLU 288 N -0.40 0.00 -0.02 3.45 5.08 -1.55 -0.62 114.58 120.52 3hav h GLU 288 Ca -0.32 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.99 3hav h GLU 288 Cb 1.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.94 3hav h GLU 288 CO 0.01 0.00 -0.21 1.25 -1.00 0.00 0.00 179.01 179.06 3hav h LEU 289 N 0.00 0.21 -0.83 1.33 5.85 -1.40 -3.21 115.31 117.26 3hav h LEU 289 Ca 0.00 -0.73 0.00 0.00 0.84 0.00 0.00 57.88 57.99 3hav h LEU 289 Cb 0.19 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.15 3hav h LEU 289 CO 0.00 0.91 0.00 -0.07 -0.34 0.00 0.00 178.44 178.94 3hav h LEU 290 N -0.47 0.00 -1.81 2.25 3.38 -1.43 -2.25 115.31 114.98 3hav h LEU 290 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3hav h LEU 290 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 3hav h LEU 290 CO 0.04 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.57 3hav n GLN 291 N -2.88 2.28 -4.61 1.13 3.00 -0.31 -4.81 117.38 111.17 3hav n GLN 291 Ca 0.02 -1.05 -0.23 0.00 -0.01 0.00 0.00 57.00 55.73 3hav n GLN 291 Cb 0.36 -1.73 -0.15 0.00 0.00 0.00 0.00 30.24 28.72 3hav n GLN 291 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 3hav s THR 292 N -1.60 1.08 0.84 5.09 2.01 -0.85 -5.00 115.64 117.21 3hav s THR 292 Ca 0.18 -0.55 -0.12 0.00 0.31 0.00 0.00 61.69 61.51 3hav s THR 292 Cb 0.14 -0.93 0.09 0.00 0.01 0.00 0.00 72.50 71.81 3hav s THR 292 CO 0.06 0.32 1.10 -1.10 -0.69 0.00 0.00 174.62 174.30 3hav s GLN 293 N -0.08 1.76 0.11 4.92 -1.52 -1.26 -4.98 119.66 118.61 3hav s GLN 293 Ca 0.00 0.63 0.01 0.00 -1.95 0.00 0.00 55.36 54.05 3hav s GLN 293 Cb -0.08 -1.88 -0.21 0.00 -0.22 0.00 0.00 33.01 30.62 3hav s GLN 293 CO 0.00 -1.85 1.23 0.00 -0.25 0.00 0.00 175.29 174.43 3hav h ALA 294 N -1.25 0.26 0.00 6.09 0.00 -1.96 -3.25 119.26 119.15 3hav h ALA 294 Ca -0.48 -0.87 -0.02 0.00 0.00 0.00 0.00 54.91 53.54 3hav h ALA 294 Cb 1.28 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 3hav h ALA 294 CO 0.59 1.07 -0.11 1.05 0.00 0.00 0.00 179.25 181.84 3hav h GLU 295 N 0.05 0.00 -0.09 0.00 4.11 -1.96 -2.79 114.58 113.91 3hav h GLU 295 Ca -0.07 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.38 3hav h GLU 295 Cb 1.82 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.07 3hav h GLU 295 CO 0.17 0.11 0.24 0.52 0.07 0.00 0.00 179.01 180.11 3hav h MET 296 N 0.00 0.00 -0.13 1.06 2.86 -1.95 0.29 114.93 117.06 3hav h MET 296 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3hav h MET 296 Cb 0.44 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.10 3hav h MET 296 CO 0.01 0.00 0.00 1.19 1.06 0.00 0.00 176.91 179.17 3hav n PHE 297 N -3.24 0.16 -2.92 -0.22 3.01 -1.05 -4.87 117.46 108.33 3hav n PHE 297 Ca -0.00 -0.08 -0.41 0.00 1.01 0.00 0.00 57.45 57.97 3hav n PHE 297 Cb 0.32 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.75 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 -1.84 4.95 -2.00 4.37 -1.09 0.10 -4.31 121.20 121.38 3hav s ILE 298 Ca 0.34 1.63 0.11 0.00 -2.23 0.00 0.00 60.65 60.50 3hav s ILE 298 Cb 0.18 -4.13 0.32 0.00 -1.58 0.00 0.00 42.46 37.25 3hav s ILE 298 CO 0.28 0.14 1.10 0.33 -1.23 0.00 0.00 174.94 175.57