#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mk8 s THR 2 N 0.00 3.63 -0.74 12.58 -4.23 -1.26 -4.86 115.64 120.76 1mk8 s THR 2 Ca 0.00 0.62 -0.25 0.00 -1.18 0.00 0.00 61.69 60.88 1mk8 s THR 2 Cb 0.00 -3.20 -0.15 0.00 1.34 0.00 0.00 72.50 70.49 1mk8 s THR 2 CO 0.00 -0.60 2.46 -2.65 -0.54 0.00 0.00 174.62 173.30 1mk8 n PRO 3 N -2.85 0.56 -2.02 3.99 -0.02 -1.26 -4.90 135.00 128.49 1mk8 n PRO 3 Ca 0.09 -0.17 -0.35 0.00 -2.02 0.00 0.00 63.50 61.05 1mk8 n PRO 3 Cb 0.53 -2.72 0.03 0.00 -0.02 0.00 0.00 33.50 31.32 1mk8 n PRO 3 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 1mk8 s LEU 4 N 10.55 3.63 -0.14 2.45 2.34 -1.25 -5.02 118.68 131.23 1mk8 s LEU 4 Ca 1.11 2.24 -0.02 0.00 0.06 0.00 0.00 54.13 57.52 1mk8 s LEU 4 Cb -0.52 -4.58 -0.02 0.00 -0.56 0.00 0.00 46.19 40.50 1mk8 s LEU 4 CO 0.32 -1.51 -0.07 -0.69 -1.06 0.00 0.00 176.35 173.34 1mk8 s VAL 5 N -1.81 3.57 -0.38 1.48 1.01 -1.26 -4.82 120.40 118.19 1mk8 s VAL 5 Ca 0.74 -0.48 -0.06 0.00 0.00 0.00 0.00 61.98 62.18 1mk8 s VAL 5 Cb -0.26 -2.54 0.07 0.00 0.00 0.00 0.00 36.38 33.65 1mk8 s VAL 5 CO 0.33 0.51 0.17 -1.00 0.00 0.00 0.00 175.10 175.10 1mk8 s HIS 6 N 0.34 3.35 -0.18 5.22 3.76 -1.26 -5.05 115.29 121.47 1mk8 s HIS 6 Ca -0.07 -1.70 -0.18 0.00 -0.15 0.00 0.00 55.06 52.96 1mk8 s HIS 6 Cb -0.15 -2.69 -0.04 0.00 1.11 0.00 0.00 32.58 30.81 1mk8 s HIS 6 CO 0.04 -0.83 0.49 0.08 -0.85 0.00 0.00 174.74 173.67 1mk8 s VAL 7 N 1.34 5.14 0.23 -0.90 1.01 -1.26 -0.38 120.40 125.58 1mk8 s VAL 7 Ca 0.02 0.91 -0.31 0.00 0.00 0.00 0.00 61.98 62.60 1mk8 s VAL 7 Cb -0.21 -3.82 -0.11 0.00 0.00 0.00 0.00 36.38 32.24 1mk8 s VAL 7 CO 0.01 0.22 1.61 0.00 0.00 0.00 0.00 175.10 176.93 1mk8 s ALA 8 N 1.38 3.80 -0.21 5.51 0.00 -0.15 -4.88 121.76 127.21 1mk8 s ALA 8 Ca 0.24 1.49 -0.01 0.00 0.00 0.00 0.00 51.96 53.68 1mk8 s ALA 8 Cb -0.15 -3.64 0.06 0.00 0.00 0.00 0.00 23.12 19.38 1mk8 s ALA 8 CO 0.09 -0.88 -0.02 0.45 0.00 0.00 0.00 175.76 175.40 1mk8 s SER 9 N 0.86 3.39 0.21 0.00 0.15 0.24 -4.67 113.70 113.87 1mk8 s SER 9 Ca 0.68 -0.99 -0.32 0.00 0.70 0.00 0.00 55.95 56.02 1mk8 s SER 9 Cb -0.47 -0.95 -0.13 0.00 -1.71 0.00 0.00 66.02 62.77 1mk8 s SER 9 CO 0.38 -0.25 1.62 0.52 1.20 0.00 0.00 173.24 176.71 1mk8 n VAL 10 N 4.83 0.25 -1.66 4.45 0.31 -1.26 -4.23 118.33 121.02 1mk8 n VAL 10 Ca -0.11 -0.06 -0.49 0.00 -0.01 0.00 0.00 64.34 63.67 1mk8 n VAL 10 Cb 0.46 -1.77 -0.05 0.00 -0.91 0.00 0.00 33.84 31.57 1mk8 n VAL 10 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1mk8 n GLU 11 N 3.30 1.89 -1.69 5.55 4.71 -1.26 -4.68 120.64 128.46 1mk8 n GLU 11 Ca 0.15 0.69 -0.67 0.00 -0.01 0.00 0.00 57.16 57.31 1mk8 n GLU 11 Cb 0.33 -2.44 -0.10 0.00 -1.01 0.00 0.00 31.44 28.21 1mk8 n GLU 11 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 1mk8 n LYS 12 N 4.15 0.00 -0.80 3.49 4.81 -1.26 -1.26 118.16 127.30 1mk8 n LYS 12 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.63 1mk8 n LYS 12 Cb 0.26 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.81 1mk8 n LYS 12 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1mk8 n GLY 13 N 4.44 0.49 3.84 3.14 0.00 -1.26 -5.00 105.19 110.84 1mk8 n GLY 13 Ca 0.34 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.04 1mk8 n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mk8 s ARG 14 N -0.55 4.07 0.16 1.61 1.81 -0.39 -5.08 118.95 120.60 1mk8 s ARG 14 Ca 0.00 0.85 0.03 0.00 -1.72 0.00 0.00 55.73 54.89 1mk8 s ARG 14 Cb 0.00 -2.31 -0.01 0.00 -0.45 0.00 0.00 34.95 32.18 1mk8 s ARG 14 CO 0.00 0.05 0.16 -1.13 -0.68 0.00 0.00 175.30 173.70 1mk8 n SER 15 N -0.60 -0.42 -0.27 0.23 3.41 -1.26 -4.87 113.62 109.83 1mk8 n SER 15 Ca 0.05 -2.04 0.05 0.00 -0.26 0.00 0.00 58.87 56.67 1mk8 n SER 15 Cb 0.54 0.92 0.15 0.00 -0.26 0.00 0.00 64.21 65.55 1mk8 n SER 15 CO 0.00 0.00 0.00 0.22 -0.16 0.00 0.00 175.04 175.10 1mk8 h TYR 16 N 1.52 -0.20 -0.90 7.33 5.03 -2.00 -0.85 116.97 126.90 1mk8 h TYR 16 Ca -0.12 0.06 0.09 0.00 2.58 0.00 0.00 58.73 61.35 1mk8 h TYR 16 Cb 0.58 0.21 -0.06 0.00 1.55 0.00 0.00 36.73 39.01 1mk8 h TYR 16 CO 0.00 -0.30 0.58 1.49 -1.32 0.00 0.00 178.16 178.61 1mk8 h GLU 17 N 0.05 0.88 -0.37 1.82 4.81 -1.99 -0.21 114.58 119.57 1mk8 h GLU 17 Ca 0.42 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.54 1mk8 h GLU 17 Cb 0.71 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 1mk8 h GLU 17 CO -0.75 0.58 0.03 -0.44 -0.73 0.00 0.00 179.01 177.70 1mk8 h ASP 18 N 0.90 0.62 0.75 1.04 5.19 -1.56 -2.54 116.42 120.83 1mk8 h ASP 18 Ca 0.42 -0.28 -0.11 0.00 -0.62 0.00 0.00 57.03 56.43 1mk8 h ASP 18 Cb 0.39 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 39.72 1mk8 h ASP 18 CO -0.18 0.75 -0.53 -0.26 -3.12 0.00 0.00 179.24 175.89 1mk8 h PHE 19 N 0.47 0.00 -0.18 4.55 -1.00 -1.23 -2.60 116.94 116.95 1mk8 h PHE 19 Ca 0.11 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.81 1mk8 h PHE 19 Cb 0.41 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.96 1mk8 h PHE 19 CO 0.03 0.53 -0.25 0.37 -1.61 0.00 0.00 178.31 177.39 1mk8 h GLN 20 N 0.00 0.33 -0.51 1.51 5.75 -0.93 -0.02 115.11 121.24 1mk8 h GLN 20 Ca -0.01 -0.11 -0.11 0.00 -0.15 0.00 0.00 58.65 58.27 1mk8 h GLN 20 Cb 1.05 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 29.56 1mk8 h GLN 20 CO 0.07 0.56 -0.11 0.87 -2.65 0.00 0.00 178.83 177.57 1mk8 h LYS 21 N 0.30 0.95 -0.35 1.69 1.57 -1.08 0.77 116.57 120.42 1mk8 h LYS 21 Ca 0.05 -0.34 -0.10 0.00 -1.87 0.00 0.00 60.65 58.39 1mk8 h LYS 21 Cb 0.60 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1mk8 h LYS 21 CO 0.04 1.00 -0.17 0.28 -0.57 0.00 0.00 179.45 180.04 1mk8 h VAL 22 N 0.85 1.29 -0.25 0.50 2.07 -1.18 -1.23 116.25 118.30 1mk8 h VAL 22 Ca 0.13 -1.28 0.04 0.00 0.82 0.00 0.00 66.70 66.41 1mk8 h VAL 22 Cb 0.65 1.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 1mk8 h VAL 22 CO 0.05 0.42 -0.00 0.22 0.02 0.00 0.00 177.57 178.27 1mk8 h TYR 23 N 0.51 -0.02 -0.95 1.57 3.20 -0.79 -1.32 116.97 119.18 1mk8 h TYR 23 Ca 0.08 0.02 0.01 0.00 3.14 0.00 0.00 58.73 61.97 1mk8 h TYR 23 Cb 0.71 0.05 -0.05 0.00 1.54 0.00 0.00 36.73 38.97 1mk8 h TYR 23 CO 0.06 -0.04 0.62 -0.91 -1.64 0.00 0.00 178.16 176.24 1mk8 h ASN 24 N 0.07 1.10 -0.50 -2.11 2.35 -0.65 0.50 115.58 116.35 1mk8 h ASN 24 Ca 0.12 -0.04 -0.02 0.00 -0.55 0.00 0.00 56.30 55.81 1mk8 h ASN 24 Cb 0.15 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 1mk8 h ASN 24 CO -0.20 0.81 0.25 0.00 -1.65 0.00 0.00 177.43 176.63 1mk8 h ALA 25 N 1.34 0.64 -0.26 -0.83 0.00 -0.70 0.19 119.26 119.65 1mk8 h ALA 25 Ca 0.35 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1mk8 h ALA 25 Cb -0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1mk8 h ALA 25 CO -0.07 0.20 0.12 0.82 0.00 0.00 0.00 179.25 180.32 1mk8 h ILE 26 N 0.66 1.15 -0.63 0.00 2.04 -0.77 -1.73 117.51 118.23 1mk8 h ILE 26 Ca 0.17 -0.43 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 1mk8 h ILE 26 Cb 0.11 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 1mk8 h ILE 26 CO -0.02 0.15 0.22 0.00 0.00 0.00 0.00 178.15 178.50 1mk8 h ALA 27 N 0.98 1.20 -0.29 1.87 0.00 -0.62 -0.73 119.26 121.67 1mk8 h ALA 27 Ca 0.09 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 54.68 1mk8 h ALA 27 Cb 0.13 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1mk8 h ALA 27 CO -0.01 0.57 -0.35 -0.07 0.00 0.00 0.00 179.25 179.39 1mk8 h LEU 28 N 0.92 0.68 -0.71 0.00 3.38 -0.45 -2.37 115.31 116.77 1mk8 h LEU 28 Ca 0.21 -0.28 -0.14 0.00 0.09 0.00 0.00 57.88 57.76 1mk8 h LEU 28 Cb 0.23 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1mk8 h LEU 28 CO -0.01 0.97 -0.62 0.50 0.09 0.00 0.00 178.44 179.37 1mk8 h LYS 29 N 0.55 0.11 -0.61 1.13 3.64 -0.94 -1.19 116.57 119.27 1mk8 h LYS 29 Ca 0.06 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.30 1mk8 h LYS 29 Cb 0.85 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.66 1mk8 h LYS 29 CO 0.07 0.69 0.17 -0.07 -2.27 0.00 0.00 179.45 178.05 1mk8 h LEU 30 N 0.08 0.87 -0.28 5.20 3.38 -0.89 -0.56 115.31 123.11 1mk8 h LEU 30 Ca -0.01 -0.15 -0.17 0.00 0.09 0.00 0.00 57.88 57.64 1mk8 h LEU 30 Cb 1.11 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.63 1mk8 h LEU 30 CO 0.09 0.83 -0.49 -0.09 0.09 0.00 0.00 178.44 178.86 1mk8 h ARG 31 N 0.90 0.82 0.08 1.13 2.43 -1.15 -3.35 114.38 115.24 1mk8 h ARG 31 Ca 0.20 -0.52 -0.00 0.00 -0.81 0.00 0.00 59.98 58.85 1mk8 h ARG 31 Cb 0.29 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.90 1mk8 h ARG 31 CO -0.00 1.15 -0.04 1.49 -1.51 0.00 0.00 179.97 181.06 1mk8 h GLU 32 N 0.59 -0.10 -2.43 0.20 4.57 -0.88 -3.31 114.58 113.22 1mk8 h GLU 32 Ca 0.02 0.01 -0.56 0.00 -1.18 0.00 0.00 59.36 57.64 1mk8 h GLU 32 Cb 1.10 0.02 -0.09 0.00 -0.16 0.00 0.00 28.75 29.62 1mk8 h GLU 32 CO 0.11 0.32 1.69 -0.25 -1.18 0.00 0.00 179.01 179.70 1mk8 n ASP 33 N -4.93 7.28 0.11 1.04 10.43 -0.25 -4.66 116.55 125.57 1mk8 n ASP 33 Ca -0.08 -2.91 0.12 0.00 2.57 0.00 0.00 54.79 54.48 1mk8 n ASP 33 Cb 0.24 -1.38 0.46 0.00 1.84 0.00 0.00 41.12 42.27 1mk8 n ASP 33 CO 0.00 0.00 0.00 -0.90 -1.07 0.00 0.00 177.20 175.23 1mk8 n ASP 34 N 2.05 0.66 0.13 -2.24 5.75 -1.25 -3.56 116.55 118.09 1mk8 n ASP 34 Ca 0.59 0.62 0.13 0.00 -0.01 0.00 0.00 54.79 56.11 1mk8 n ASP 34 Cb 0.45 -0.77 0.30 0.00 -1.03 0.00 0.00 41.12 40.06 1mk8 n ASP 34 CO 0.00 0.00 0.00 1.05 -0.11 0.00 0.00 177.20 178.14 1mk8 h GLU 35 N 0.00 0.00 -6.49 0.11 9.09 -1.90 -3.35 114.58 112.04 1mk8 h GLU 35 Ca 0.00 0.00 -0.61 0.00 0.05 0.00 0.00 59.36 58.80 1mk8 h GLU 35 Cb 0.50 0.00 0.10 0.00 -1.65 0.00 0.00 28.75 27.69 1mk8 h GLU 35 CO 0.00 0.00 0.32 0.98 0.05 0.00 0.00 179.01 180.36 1mk8 n TYR 36 N -2.45 1.60 -3.58 2.06 4.19 -1.23 -1.60 117.16 116.14 1mk8 n TYR 36 Ca 0.05 0.62 -0.26 0.00 3.31 0.00 0.00 57.90 61.62 1mk8 n TYR 36 Cb 0.46 -2.33 0.05 0.00 0.49 0.00 0.00 39.34 38.01 1mk8 n TYR 36 CO 0.00 0.00 0.00 -3.47 0.91 0.00 0.00 176.86 174.30 1mk8 n ASP 37 N 1.60 -4.90 -3.85 2.98 -0.08 -1.26 -1.28 116.55 109.76 1mk8 n ASP 37 Ca 0.11 -0.91 -0.24 0.00 -1.51 0.00 0.00 54.79 52.23 1mk8 n ASP 37 Cb 0.30 -3.93 0.01 0.00 2.34 0.00 0.00 41.12 39.84 1mk8 n ASP 37 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 1mk8 n ASN 38 N -2.88 -1.12 -1.22 1.67 3.02 -1.17 -2.19 115.26 111.37 1mk8 n ASN 38 Ca -0.12 -0.91 -0.15 0.00 -0.03 0.00 0.00 54.58 53.37 1mk8 n ASN 38 Cb 0.61 -3.54 -0.06 0.00 -0.61 0.00 0.00 39.78 36.19 1mk8 n ASN 38 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1mk8 n TYR 39 N -4.37 -0.10 0.09 3.10 4.02 -0.63 -4.87 117.16 114.40 1mk8 n TYR 39 Ca -0.26 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.49 1mk8 n TYR 39 Cb 0.66 -2.70 -0.13 0.00 -0.02 0.00 0.00 39.34 37.15 1mk8 n TYR 39 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 176.86 176.67 1mk8 h ILE 40 N 0.00 1.56 0.00 -0.72 2.04 -0.89 -3.47 117.51 116.03 1mk8 h ILE 40 Ca -0.31 -3.16 0.00 0.00 1.00 0.00 0.00 64.86 62.39 1mk8 h ILE 40 Cb 1.01 2.92 0.00 0.00 -0.74 0.00 0.00 36.82 40.02 1mk8 h ILE 40 CO 0.44 0.92 0.00 0.61 0.00 0.00 0.00 178.15 180.12 1mk8 n GLY 41 N 1.49 -0.16 0.05 5.37 0.00 -0.40 -4.63 105.19 106.90 1mk8 n GLY 41 Ca -0.06 -1.78 0.15 0.00 0.00 0.00 0.00 46.02 44.33 1mk8 n GLY 41 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1mk8 n TYR 42 N -0.06 0.00 0.11 1.61 4.02 -1.26 -4.34 117.16 117.23 1mk8 n TYR 42 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.75 1mk8 n TYR 42 Cb 0.00 -0.10 -0.08 0.00 -0.02 0.00 0.00 39.34 39.15 1mk8 n TYR 42 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1mk8 h GLY 43 N 4.99 -0.87 0.63 2.72 0.00 -1.93 -2.17 103.07 106.44 1mk8 h GLY 43 Ca 0.00 0.52 0.05 0.00 0.00 0.00 0.00 47.33 47.90 1mk8 h GLY 43 CO 0.00 -0.27 0.19 -2.55 0.00 0.00 0.00 176.54 173.92 1mk8 h PRO 44 N -0.66 0.38 0.00 4.80 0.11 -1.88 -2.28 132.00 132.47 1mk8 h PRO 44 Ca 0.02 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.06 1mk8 h PRO 44 Cb 0.69 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.71 1mk8 h PRO 44 CO -0.26 0.25 -0.24 -0.24 -0.21 0.00 0.00 178.00 177.31 1mk8 h VAL 45 N 0.39 0.96 -0.09 3.15 3.04 -1.81 -1.02 116.25 120.87 1mk8 h VAL 45 Ca 0.22 -0.88 -0.15 0.00 -1.01 0.00 0.00 66.70 64.88 1mk8 h VAL 45 Cb 0.19 1.50 -0.01 0.00 -2.01 0.00 0.00 31.29 30.96 1mk8 h VAL 45 CO -0.20 0.23 -0.61 -0.07 -1.01 0.00 0.00 177.57 175.92 1mk8 h LEU 46 N 0.00 0.35 -0.24 3.16 3.38 -0.85 -0.06 115.31 121.06 1mk8 h LEU 46 Ca -0.00 -0.20 -0.12 0.00 0.09 0.00 0.00 57.88 57.65 1mk8 h LEU 46 Cb 0.48 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 1mk8 h LEU 46 CO 0.03 0.88 -0.32 0.58 0.09 0.00 0.00 178.44 179.70 1mk8 h VAL 47 N 0.23 1.32 -0.80 1.22 2.07 -0.90 -1.53 116.25 117.86 1mk8 h VAL 47 Ca -0.01 -1.51 -0.03 0.00 0.82 0.00 0.00 66.70 65.97 1mk8 h VAL 47 Cb 1.13 1.73 -0.04 0.00 -1.52 0.00 0.00 31.29 32.59 1mk8 h VAL 47 CO 0.10 0.47 0.37 -0.09 0.02 0.00 0.00 177.57 178.45 1mk8 h ARG 48 N 0.34 1.15 -0.57 1.57 2.43 -1.07 -1.26 114.38 116.97 1mk8 h ARG 48 Ca 0.03 -0.17 -0.03 0.00 -0.81 0.00 0.00 59.98 59.00 1mk8 h ARG 48 Cb 0.90 -0.21 -0.03 0.00 -0.42 0.00 0.00 29.97 30.22 1mk8 h ARG 48 CO 0.08 0.89 0.24 1.25 -1.51 0.00 0.00 179.97 180.92 1mk8 h LEU 49 N 1.14 0.78 -0.76 3.80 5.85 -0.85 0.04 115.31 125.31 1mk8 h LEU 49 Ca 0.27 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 1mk8 h LEU 49 Cb 0.13 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.92 1mk8 h LEU 49 CO -0.03 0.72 0.38 0.00 -0.34 0.00 0.00 178.44 179.17 1mk8 h ALA 50 N 1.09 0.98 -0.10 1.25 0.00 -0.83 -1.20 119.26 120.44 1mk8 h ALA 50 Ca 0.19 -0.14 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 1mk8 h ALA 50 Cb 0.18 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1mk8 h ALA 50 CO -0.02 0.52 -0.54 2.35 0.00 0.00 0.00 179.25 181.56 1mk8 h TRP 51 N 1.06 0.36 0.00 0.00 2.91 -0.85 -2.73 115.95 116.70 1mk8 h TRP 51 Ca 0.26 -0.13 -0.09 0.00 1.13 0.00 0.00 58.89 60.07 1mk8 h TRP 51 Cb 0.09 -0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 28.66 1mk8 h TRP 51 CO 0.01 0.77 -0.62 1.88 -1.03 0.00 0.00 178.44 179.45 1mk8 h TYR 52 N 0.23 0.00 0.00 2.65 -1.99 -0.72 0.52 116.97 117.66 1mk8 h TYR 52 Ca 0.00 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.71 1mk8 h TYR 52 Cb 1.02 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.75 1mk8 h TYR 52 CO 0.02 0.37 -0.15 1.79 -0.00 0.00 0.00 178.16 180.19 1mk8 h THR 53 N 0.00 0.15 0.01 -2.88 1.35 -1.25 -3.29 112.91 107.00 1mk8 h THR 53 Ca -0.03 -1.22 -0.35 0.00 -0.55 0.00 0.00 66.41 64.26 1mk8 h THR 53 Cb 1.31 2.05 -0.06 0.00 -1.73 0.00 0.00 68.15 69.72 1mk8 h THR 53 CO 0.04 0.09 -2.17 -1.20 -0.25 0.00 0.00 175.52 172.03 1mk8 n SER 54 N -3.10 0.69 0.00 5.36 7.64 -1.03 -3.40 113.62 119.78 1mk8 n SER 54 Ca 0.03 0.12 0.06 0.00 1.01 0.00 0.00 58.87 60.10 1mk8 n SER 54 Cb 0.57 0.35 0.37 0.00 -1.01 0.00 0.00 64.21 64.49 1mk8 n SER 54 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mk8 n GLY 55 N 1.78 -0.49 0.09 0.23 0.00 0.18 -2.57 105.19 104.41 1mk8 n GLY 55 Ca -0.30 -0.08 0.14 0.00 0.00 0.00 0.00 46.02 45.78 1mk8 n GLY 55 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1mk8 n THR 56 N -1.08 0.00 -1.81 2.61 -2.24 -1.26 -4.66 114.28 105.85 1mk8 n THR 56 Ca 0.09 -0.05 -0.40 0.00 -2.27 0.00 0.00 64.05 61.43 1mk8 n THR 56 Cb 0.06 -0.11 0.02 0.00 -2.10 0.00 0.00 70.33 68.20 1mk8 n THR 56 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1mk8 s TRP 57 N -2.59 2.44 -0.21 4.78 -0.00 -1.06 -4.17 118.94 118.13 1mk8 s TRP 57 Ca 0.25 1.29 -0.00 0.00 -0.00 0.00 0.00 56.10 57.64 1mk8 s TRP 57 Cb 0.20 -3.89 0.06 0.00 -0.00 0.00 0.00 33.47 29.83 1mk8 s TRP 57 CO 0.50 -2.90 -0.03 0.34 -0.00 0.00 0.00 176.95 174.86 1mk8 s ASP 58 N -0.59 3.40 0.60 5.86 -1.08 -0.67 -4.60 116.67 119.59 1mk8 s ASP 58 Ca 0.63 -0.97 0.32 0.00 -0.52 0.00 0.00 52.55 52.00 1mk8 s ASP 58 Cb -0.43 -0.99 1.90 0.00 -1.46 0.00 0.00 42.92 41.94 1mk8 s ASP 58 CO 0.54 -0.24 2.26 0.07 0.52 0.00 0.00 175.17 178.33 1mk8 h LYS 59 N 8.06 0.00 -0.32 4.34 2.10 -1.76 0.92 116.57 129.91 1mk8 h LYS 59 Ca -0.19 0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.37 1mk8 h LYS 59 Cb 1.09 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.41 1mk8 h LYS 59 CO 0.39 0.00 -0.16 0.45 -2.00 0.00 0.00 179.45 178.13 1mk8 h HIS 60 N 0.00 0.63 0.00 0.07 3.86 -1.95 -3.35 115.15 114.41 1mk8 h HIS 60 Ca 0.00 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.10 1mk8 h HIS 60 Cb 0.03 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.34 1mk8 h HIS 60 CO 0.00 0.71 0.00 -0.40 0.86 0.00 0.00 177.93 179.10 1mk8 n ASP 61 N -4.16 0.45 -2.86 2.45 5.68 -1.12 -4.92 116.55 112.07 1mk8 n ASP 61 Ca 0.00 -1.19 -0.21 0.00 -0.50 0.00 0.00 54.79 52.89 1mk8 n ASP 61 Cb 0.36 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.36 1mk8 n ASP 61 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1mk8 n ASN 62 N -0.10 -5.69 -4.93 -1.12 5.15 0.30 -3.95 115.26 104.93 1mk8 n ASN 62 Ca 0.00 -0.20 -0.25 0.00 -0.60 0.00 0.00 54.58 53.53 1mk8 n ASN 62 Cb 0.37 -4.65 0.00 0.00 -0.53 0.00 0.00 39.78 34.98 1mk8 n ASN 62 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1mk8 s THR 63 N -3.08 4.55 0.00 -0.44 -4.23 -1.23 -4.84 115.64 106.38 1mk8 s THR 63 Ca 0.22 -0.17 0.00 0.00 -1.18 0.00 0.00 61.69 60.56 1mk8 s THR 63 Cb -0.10 -3.71 0.00 0.00 1.34 0.00 0.00 72.50 70.03 1mk8 s THR 63 CO 0.27 -0.59 0.00 0.61 -0.54 0.00 0.00 174.62 174.37 1mk8 n GLY 64 N -2.14 -0.06 0.00 3.99 0.00 -1.26 -1.67 105.19 104.04 1mk8 n GLY 64 Ca -0.00 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.00 1mk8 n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1mk8 n GLY 65 N 0.00 0.25 0.20 -0.02 0.00 -1.26 -4.66 105.19 99.70 1mk8 n GLY 65 Ca 0.00 -1.90 0.09 0.00 0.00 0.00 0.00 46.02 44.21 1mk8 n GLY 65 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1mk8 h SER 66 N 0.00 0.00 -0.31 1.61 4.64 -1.75 -3.39 113.55 114.35 1mk8 h SER 66 Ca 0.00 0.00 0.06 0.00 -0.47 0.00 0.00 61.79 61.38 1mk8 h SER 66 Cb 0.00 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.01 1mk8 h SER 66 CO 0.00 0.22 -0.43 0.22 -0.87 0.00 0.00 176.83 175.97 1mk8 h TYR 67 N 0.00 -1.26 0.00 4.77 3.20 -1.85 -3.08 116.97 118.75 1mk8 h TYR 67 Ca -0.00 0.06 -0.00 0.00 3.14 0.00 0.00 58.73 61.93 1mk8 h TYR 67 Cb 1.00 0.60 -0.00 0.00 1.54 0.00 0.00 36.73 39.87 1mk8 h TYR 67 CO 0.00 -0.46 -0.02 0.78 -1.64 0.00 0.00 178.16 176.82 1mk8 h GLY 68 N -0.39 0.00 -3.57 1.82 0.00 -1.75 -2.96 103.07 96.23 1mk8 h GLY 68 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 47.07 1mk8 h GLY 68 CO -0.51 0.00 -0.53 0.61 0.00 0.00 0.00 176.54 176.11 1mk8 n GLY 69 N 0.19 -0.42 0.00 4.60 0.00 -1.16 -2.29 105.19 106.11 1mk8 n GLY 69 Ca 0.01 -0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.09 1mk8 n GLY 69 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1mk8 n THR 70 N -4.26 0.91 0.29 2.61 -2.24 -1.26 -3.16 114.28 107.16 1mk8 n THR 70 Ca -0.15 0.23 0.19 0.00 -2.27 0.00 0.00 64.05 62.04 1mk8 n THR 70 Cb 0.64 -1.03 0.97 0.00 -2.10 0.00 0.00 70.33 68.81 1mk8 n THR 70 CO 0.00 0.00 0.00 0.22 -0.57 0.00 0.00 175.07 174.72 1mk8 h TYR 71 N 0.00 0.00 0.00 4.78 5.03 -1.94 -0.87 116.97 123.97 1mk8 h TYR 71 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1mk8 h TYR 71 Cb 0.14 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.42 1mk8 h TYR 71 CO 0.00 0.00 0.00 2.89 -1.32 0.00 0.00 178.16 179.73 1mk8 n ARG 72 N -2.82 0.09 -3.56 1.82 1.85 -1.19 -3.54 116.66 109.31 1mk8 n ARG 72 Ca -0.02 0.32 -0.37 0.00 -1.00 0.00 0.00 57.85 56.78 1mk8 n ARG 72 Cb 0.09 -1.67 -0.06 0.00 -1.05 0.00 0.00 32.46 29.77 1mk8 n ARG 72 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1mk8 s PHE 73 N -3.14 3.68 0.27 2.89 0.40 -0.33 -4.96 117.98 116.80 1mk8 s PHE 73 Ca 0.06 0.89 0.00 0.00 -0.60 0.00 0.00 56.93 57.28 1mk8 s PHE 73 Cb 0.10 -2.22 0.64 0.00 0.51 0.00 0.00 43.02 42.05 1mk8 s PHE 73 CO 0.33 0.63 1.67 1.57 0.70 0.00 0.00 175.22 180.12 1mk8 h LYS 74 N 4.50 0.26 -0.68 0.44 2.10 -1.87 -1.80 116.57 119.52 1mk8 h LYS 74 Ca -0.51 -0.02 0.11 0.00 -2.00 0.00 0.00 60.65 58.23 1mk8 h LYS 74 Cb 1.21 -0.06 -0.08 0.00 -0.90 0.00 0.00 32.23 32.41 1mk8 h LYS 74 CO 0.62 0.17 0.28 -0.22 -2.00 0.00 0.00 179.45 178.31 1mk8 h LYS 75 N 0.27 0.46 0.20 0.07 3.64 -1.94 -0.81 116.57 118.47 1mk8 h LYS 75 Ca 0.51 -0.03 -0.27 0.00 -1.27 0.00 0.00 60.65 59.59 1mk8 h LYS 75 Cb 0.97 -0.10 0.03 0.00 -0.41 0.00 0.00 32.23 32.72 1mk8 h LYS 75 CO -0.58 0.30 -1.19 1.49 -2.27 0.00 0.00 179.45 177.20 1mk8 h GLU 76 N 0.47 0.45 0.00 1.90 4.81 -1.62 -3.14 114.58 117.44 1mk8 h GLU 76 Ca 0.35 -0.75 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 1mk8 h GLU 76 Cb 0.46 0.28 0.00 0.00 0.63 0.00 0.00 28.75 30.12 1mk8 h GLU 76 CO -0.33 1.36 0.00 1.97 -0.73 0.00 0.00 179.01 181.28 1mk8 n PHE 77 N -3.90 0.18 0.18 0.92 -0.00 -0.77 -1.89 117.46 112.18 1mk8 n PHE 77 Ca -0.16 0.06 0.12 0.00 -0.00 0.00 0.00 57.45 57.48 1mk8 n PHE 77 Cb 0.98 -0.60 0.23 0.00 -0.00 0.00 0.00 39.48 40.09 1mk8 n PHE 77 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.76 176.85 1mk8 n ASN 78 N -1.66 3.54 -4.71 5.98 3.02 -0.32 -4.83 115.26 116.29 1mk8 n ASN 78 Ca 0.04 -1.99 -0.42 0.00 -0.03 0.00 0.00 54.58 52.18 1mk8 n ASN 78 Cb 0.24 -0.29 -0.03 0.00 -0.61 0.00 0.00 39.78 39.09 1mk8 n ASN 78 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1mk8 s ASP 79 N -1.39 6.47 0.45 6.41 -1.08 -0.79 -4.85 116.67 121.89 1mk8 s ASP 79 Ca 0.40 2.72 0.19 0.00 -0.52 0.00 0.00 52.55 55.35 1mk8 s ASP 79 Cb 0.23 -2.58 1.16 0.00 -1.46 0.00 0.00 42.92 40.27 1mk8 s ASP 79 CO 0.32 -0.94 1.91 -0.65 0.52 0.00 0.00 175.17 176.33 1mk8 h PRO 80 N 7.65 0.30 0.00 4.34 0.11 -1.92 0.25 132.00 142.72 1mk8 h PRO 80 Ca -0.44 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 1mk8 h PRO 80 Cb 1.21 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1mk8 h PRO 80 CO 0.94 0.20 -0.02 0.77 -0.21 0.00 0.00 178.00 179.67 1mk8 h SER 81 N 0.30 0.00 -0.68 -2.05 0.02 -1.94 -2.50 113.55 106.71 1mk8 h SER 81 Ca 0.38 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.33 1mk8 h SER 81 Cb 1.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.58 1mk8 h SER 81 CO -0.10 0.02 0.00 0.59 -1.14 0.00 0.00 176.83 176.20 1mk8 n ASN 82 N -3.21 4.44 -4.68 3.07 3.02 0.87 -4.99 115.26 113.79 1mk8 n ASN 82 Ca -0.02 -2.29 -0.45 0.00 -0.03 0.00 0.00 54.58 51.80 1mk8 n ASN 82 Cb 0.18 -0.55 -0.04 0.00 -0.61 0.00 0.00 39.78 38.76 1mk8 n ASN 82 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1mk8 n ALA 83 N 1.31 1.56 0.00 5.41 0.00 -0.94 -1.27 120.51 126.58 1mk8 n ALA 83 Ca 0.25 0.35 0.00 0.00 0.00 0.00 0.00 53.44 54.04 1mk8 n ALA 83 Cb 0.79 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.75 1mk8 n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1mk8 n GLY 84 N 4.01 3.09 0.21 0.00 0.00 -1.26 -4.79 105.19 106.45 1mk8 n GLY 84 Ca 0.19 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.36 1mk8 n GLY 84 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1mk8 h LEU 85 N 0.00 0.00 -2.35 0.99 3.38 -1.57 -2.48 115.31 113.27 1mk8 h LEU 85 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1mk8 h LEU 85 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1mk8 h LEU 85 CO 0.00 0.00 0.07 1.56 0.09 0.00 0.00 178.44 180.16 1mk8 h GLN 86 N 0.00 0.00 -0.42 1.13 7.50 -1.91 0.11 115.11 121.52 1mk8 h GLN 86 Ca 0.00 0.00 -0.10 0.00 0.50 0.00 0.00 58.65 59.05 1mk8 h GLN 86 Cb 0.34 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.85 1mk8 h GLN 86 CO 0.00 0.00 -0.13 -0.91 -1.50 0.00 0.00 178.83 176.29 1mk8 h ASN 87 N 0.00 0.76 -0.27 1.46 2.35 -1.84 -0.29 115.58 117.76 1mk8 h ASN 87 Ca 0.03 -0.24 -0.18 0.00 -0.55 0.00 0.00 56.30 55.37 1mk8 h ASN 87 Cb 0.17 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1mk8 h ASN 87 CO -0.00 0.91 -0.52 1.23 -1.65 0.00 0.00 177.43 177.40 1mk8 h GLY 88 N 0.97 0.90 1.03 2.83 0.00 -0.99 -2.36 103.07 105.45 1mk8 h GLY 88 Ca 0.11 -1.06 -0.05 0.00 0.00 0.00 0.00 47.33 46.33 1mk8 h GLY 88 CO 0.04 0.95 0.21 -2.75 0.00 0.00 0.00 176.54 174.99 1mk8 h PHE 89 N 0.59 1.06 -0.78 5.60 3.04 -1.17 -1.96 116.94 123.32 1mk8 h PHE 89 Ca 0.01 -0.11 -0.03 0.00 3.98 0.00 0.00 57.97 61.83 1mk8 h PHE 89 Cb 1.13 -0.31 -0.04 0.00 2.56 0.00 0.00 35.95 39.30 1mk8 h PHE 89 CO 0.08 0.86 0.38 0.87 -2.02 0.00 0.00 178.31 178.48 1mk8 h LYS 90 N 0.96 1.11 -0.67 1.11 1.79 -1.01 -1.69 116.57 118.17 1mk8 h LYS 90 Ca 0.21 -0.15 -0.02 0.00 -2.18 0.00 0.00 60.65 58.51 1mk8 h LYS 90 Cb 0.29 -0.21 -0.03 0.00 -1.58 0.00 0.00 32.23 30.71 1mk8 h LYS 90 CO -0.01 0.85 0.34 0.35 -1.08 0.00 0.00 179.45 179.90 1mk8 h PHE 91 N 1.10 0.95 0.00 -1.35 3.04 -0.99 -2.78 116.94 116.91 1mk8 h PHE 91 Ca 0.27 -0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.18 1mk8 h PHE 91 Cb 0.10 -0.30 0.00 0.00 2.56 0.00 0.00 35.95 38.31 1mk8 h PHE 91 CO 0.01 0.70 0.00 1.28 -2.02 0.00 0.00 178.31 178.28 1mk8 n LEU 92 N -4.48 0.74 -0.05 0.59 4.77 -0.78 -4.01 117.00 113.78 1mk8 n LEU 92 Ca 0.05 0.60 -0.08 0.00 -0.03 0.00 0.00 56.01 56.55 1mk8 n LEU 92 Cb 0.11 -0.40 -0.01 0.00 -2.33 0.00 0.00 43.42 40.79 1mk8 n LEU 92 CO 0.38 -0.28 0.76 -0.33 -1.33 0.00 0.00 177.39 176.60 1mk8 h GLU 93 N 0.00 -0.12 0.00 3.23 5.08 -1.03 -0.20 114.58 121.55 1mk8 h GLU 93 Ca 0.00 0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1mk8 h GLU 93 Cb 0.62 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1mk8 h GLU 93 CO 0.00 -0.08 -0.18 -1.00 -1.00 0.00 0.00 179.01 176.75 1mk8 h PRO 94 N -0.12 0.00 -0.18 2.33 0.13 -1.75 -1.08 132.00 131.33 1mk8 h PRO 94 Ca 0.13 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.18 1mk8 h PRO 94 Cb 0.32 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.45 1mk8 h PRO 94 CO -0.32 0.18 -0.21 0.82 -0.23 0.00 0.00 178.00 178.24 1mk8 h ILE 95 N 0.00 1.34 -0.12 -3.56 1.08 -1.49 -2.41 117.51 112.35 1mk8 h ILE 95 Ca -0.00 -1.40 -0.08 0.00 -0.39 0.00 0.00 64.86 62.99 1mk8 h ILE 95 Cb 0.41 1.82 -0.01 0.00 -3.07 0.00 0.00 36.82 35.97 1mk8 h ILE 95 CO 0.02 0.42 -0.29 -0.74 -0.69 0.00 0.00 178.15 176.87 1mk8 h HIS 96 N 0.13 0.24 -0.56 1.37 2.76 -0.67 -1.18 115.15 117.24 1mk8 h HIS 96 Ca 0.03 -0.05 -0.09 0.00 -2.20 0.00 0.00 60.37 58.06 1mk8 h HIS 96 Cb 0.77 -0.06 -0.02 0.00 1.55 0.00 0.00 27.41 29.65 1mk8 h HIS 96 CO 0.08 0.49 -0.01 -0.22 -1.30 0.00 0.00 177.93 176.98 1mk8 h LYS 97 N 0.19 0.99 -0.05 5.26 3.64 -1.12 -0.93 116.57 124.56 1mk8 h LYS 97 Ca 0.03 -0.32 -0.17 0.00 -1.27 0.00 0.00 60.65 58.92 1mk8 h LYS 97 Cb 0.62 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.34 1mk8 h LYS 97 CO 0.04 1.00 -0.71 1.49 -2.27 0.00 0.00 179.45 179.00 1mk8 h GLU 98 N 0.87 0.27 -2.18 1.90 4.81 -1.09 -3.34 114.58 115.82 1mk8 h GLU 98 Ca 0.16 -0.22 -0.59 0.00 -0.13 0.00 0.00 59.36 58.57 1mk8 h GLU 98 Cb 0.56 0.05 -0.42 0.00 0.63 0.00 0.00 28.75 29.57 1mk8 h GLU 98 CO 0.03 0.88 -0.67 1.19 -0.73 0.00 0.00 179.01 179.70 1mk8 n PHE 99 N -3.80 3.22 0.18 0.92 3.01 -0.48 -4.92 117.46 115.60 1mk8 n PHE 99 Ca -0.03 -4.06 0.11 0.00 1.01 0.00 0.00 57.45 54.48 1mk8 n PHE 99 Cb 0.69 -0.52 0.58 0.00 -0.01 0.00 0.00 39.48 40.23 1mk8 n PHE 99 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1mk8 n PRO 100 N 0.67 0.15 0.20 -1.08 -0.04 -0.37 -2.44 135.00 132.09 1mk8 n PRO 100 Ca 0.29 0.62 0.13 0.00 -0.04 0.00 0.00 63.50 64.51 1mk8 n PRO 100 Cb 0.43 -1.96 0.36 0.00 -0.04 0.00 0.00 33.50 32.29 1mk8 n PRO 100 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 1mk8 h TRP 101 N 0.00 0.00 -3.70 0.54 5.08 -1.91 -3.45 115.95 112.52 1mk8 h TRP 101 Ca 0.00 0.00 -0.50 0.00 1.08 0.00 0.00 58.89 59.47 1mk8 h TRP 101 Cb 0.03 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.17 1mk8 h TRP 101 CO 0.00 0.00 0.31 -1.50 -1.28 0.00 0.00 178.44 175.97 1mk8 s ILE 102 N -3.30 4.14 0.78 0.12 2.07 -1.02 -4.93 121.20 119.06 1mk8 s ILE 102 Ca 0.06 2.00 -0.11 0.00 -1.41 0.00 0.00 60.65 61.20 1mk8 s ILE 102 Cb 0.08 -4.29 0.06 0.00 0.13 0.00 0.00 42.46 38.44 1mk8 s ILE 102 CO 0.60 0.50 1.09 -0.94 -1.91 0.00 0.00 174.94 174.28 1mk8 s SER 103 N -1.15 4.49 0.13 4.50 1.04 -1.26 -4.87 113.70 116.58 1mk8 s SER 103 Ca 0.40 1.72 -0.15 0.00 0.48 0.00 0.00 55.95 58.39 1mk8 s SER 103 Cb -0.25 -2.44 -0.00 0.00 0.10 0.00 0.00 66.02 63.42 1mk8 s SER 103 CO 0.31 -2.03 1.64 0.28 0.98 0.00 0.00 173.24 174.42 1mk8 h SER 104 N -1.12 0.63 -0.79 7.02 0.02 -1.90 -1.35 113.55 116.05 1mk8 h SER 104 Ca -0.45 -0.23 -0.01 0.00 -0.84 0.00 0.00 61.79 60.27 1mk8 h SER 104 Cb 1.24 -0.17 -0.04 0.00 0.14 0.00 0.00 62.40 63.57 1mk8 h SER 104 CO 0.53 0.69 0.47 1.23 -1.14 0.00 0.00 176.83 178.61 1mk8 h GLY 105 N 0.54 1.15 1.28 -3.77 0.00 -1.79 0.52 103.07 101.00 1mk8 h GLY 105 Ca 0.13 -0.48 -0.08 0.00 0.00 0.00 0.00 47.33 46.90 1mk8 h GLY 105 CO 0.00 0.47 -0.00 -0.55 0.00 0.00 0.00 176.54 176.46 1mk8 h ASP 106 N 1.08 0.84 -0.17 0.19 5.19 -1.78 -2.00 116.42 119.77 1mk8 h ASP 106 Ca 0.28 -0.22 -0.06 0.00 -0.62 0.00 0.00 57.03 56.42 1mk8 h ASP 106 Cb -0.03 -0.22 -0.00 0.00 0.18 0.00 0.00 39.33 39.25 1mk8 h ASP 106 CO -0.05 0.91 -0.13 0.25 -3.12 0.00 0.00 179.24 177.10 1mk8 h LEU 107 N 0.81 0.41 -0.40 1.55 5.85 -0.66 -0.00 115.31 122.87 1mk8 h LEU 107 Ca 0.15 -0.45 0.00 0.00 0.84 0.00 0.00 57.88 58.42 1mk8 h LEU 107 Cb 0.49 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 1mk8 h LEU 107 CO 0.02 0.78 0.25 -0.26 -0.34 0.00 0.00 178.44 178.89 1mk8 h PHE 108 N 0.05 0.51 -0.32 1.25 0.05 -0.84 0.28 116.94 117.92 1mk8 h PHE 108 Ca 0.03 0.01 -0.12 0.00 3.82 0.00 0.00 57.97 61.70 1mk8 h PHE 108 Cb 0.64 -0.17 -0.01 0.00 2.00 0.00 0.00 35.95 38.42 1mk8 h PHE 108 CO 0.07 0.35 -0.29 0.66 -0.18 0.00 0.00 178.31 178.92 1mk8 h SER 109 N 0.53 0.80 0.10 2.17 4.64 -1.38 -2.92 113.55 117.48 1mk8 h SER 109 Ca 0.14 -0.46 -0.04 0.00 -0.47 0.00 0.00 61.79 60.96 1mk8 h SER 109 Cb -0.03 -0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 61.83 1mk8 h SER 109 CO -0.03 1.10 -0.15 0.25 -0.87 0.00 0.00 176.83 177.13 1mk8 h LEU 110 N 0.52 0.12 -0.86 5.97 5.85 -0.81 -1.81 115.31 124.29 1mk8 h LEU 110 Ca 0.05 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 1mk8 h LEU 110 Cb 0.86 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.82 1mk8 h LEU 110 CO 0.07 0.28 0.45 1.23 -0.34 0.00 0.00 178.44 180.14 1mk8 h GLY 111 N 0.65 1.29 1.05 3.75 0.00 -0.76 0.74 103.07 109.79 1mk8 h GLY 111 Ca 0.02 -0.60 -0.13 0.00 0.00 0.00 0.00 47.33 46.63 1mk8 h GLY 111 CO 0.02 0.57 -0.24 -1.33 0.00 0.00 0.00 176.54 175.56 1mk8 h GLY 112 N 1.20 0.94 0.88 4.60 0.00 -1.24 -1.69 103.07 107.76 1mk8 h GLY 112 Ca 0.30 -0.88 -0.02 0.00 0.00 0.00 0.00 47.33 46.73 1mk8 h GLY 112 CO -0.05 0.80 0.08 -2.08 0.00 0.00 0.00 176.54 175.29 1mk8 h VAL 113 N 0.67 1.19 -0.56 4.60 2.07 -1.05 -1.86 116.25 121.31 1mk8 h VAL 113 Ca 0.08 -0.61 0.02 0.00 0.82 0.00 0.00 66.70 67.01 1mk8 h VAL 113 Cb 0.82 1.14 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 1mk8 h VAL 113 CO 0.07 0.20 0.34 0.74 0.02 0.00 0.00 177.57 178.94 1mk8 h THR 114 N 0.23 1.08 -0.13 2.57 2.02 -0.83 -1.94 112.91 115.91 1mk8 h THR 114 Ca 0.08 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 1mk8 h THR 114 Cb 0.23 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 1mk8 h THR 114 CO -0.00 0.13 0.08 0.00 0.37 0.00 0.00 175.52 176.09 1mk8 h ALA 115 N 1.24 0.16 -0.10 6.16 0.00 -1.17 -0.29 119.26 125.26 1mk8 h ALA 115 Ca 0.22 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.12 1mk8 h ALA 115 Cb 0.00 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1mk8 h ALA 115 CO -0.09 -0.33 -0.04 0.28 0.00 0.00 0.00 179.25 179.07 1mk8 h VAL 116 N 0.14 0.86 -0.49 0.00 2.07 -1.11 -1.37 116.25 116.34 1mk8 h VAL 116 Ca 0.05 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.53 1mk8 h VAL 116 Cb 0.03 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 1mk8 h VAL 116 CO -0.01 0.00 0.15 1.56 0.02 0.00 0.00 177.57 179.29 1mk8 h GLN 117 N -0.03 0.76 0.00 1.57 4.20 -1.25 0.45 115.11 120.82 1mk8 h GLN 117 Ca 0.05 -0.17 -0.05 0.00 0.06 0.00 0.00 58.65 58.55 1mk8 h GLN 117 Cb 0.11 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1mk8 h GLN 117 CO -0.12 0.72 -0.22 0.93 -0.67 0.00 0.00 178.83 179.47 1mk8 h GLU 118 N 0.66 0.00 -0.88 1.46 4.39 -0.90 -1.63 114.58 117.68 1mk8 h GLU 118 Ca 0.16 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.81 1mk8 h GLU 118 Cb 0.27 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 1mk8 h GLU 118 CO -0.00 0.22 0.06 -1.33 -1.16 0.00 0.00 179.01 176.79 1mk8 n MET 119 N -3.83 2.28 -1.30 2.33 2.81 -0.53 -4.85 117.12 114.04 1mk8 n MET 119 Ca -0.02 -1.20 -0.09 0.00 -1.81 0.00 0.00 57.70 54.59 1mk8 n MET 119 Cb 0.31 -1.72 -0.04 0.00 -0.71 0.00 0.00 33.22 31.07 1mk8 n MET 119 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1mk8 n GLN 120 N 0.16 -0.62 -0.62 0.03 6.02 -0.61 -0.23 117.38 121.50 1mk8 n GLN 120 Ca 0.13 0.79 -0.08 0.00 -0.01 0.00 0.00 57.00 57.84 1mk8 n GLN 120 Cb 0.69 -4.67 0.05 0.00 1.02 0.00 0.00 30.24 27.33 1mk8 n GLN 120 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1mk8 n GLY 121 N -1.87 -0.96 3.77 1.08 0.00 0.12 -4.72 105.19 102.61 1mk8 n GLY 121 Ca -0.09 -1.72 -0.30 0.00 0.00 0.00 0.00 46.02 43.91 1mk8 n GLY 121 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1mk8 s PRO 122 N -3.73 2.01 0.27 1.61 0.04 -1.26 -4.63 135.00 129.31 1mk8 s PRO 122 Ca 0.21 0.88 -0.29 0.00 0.04 0.00 0.00 61.00 61.83 1mk8 s PRO 122 Cb -0.01 -1.89 -0.09 0.00 0.04 0.00 0.00 34.50 32.55 1mk8 s PRO 122 CO 0.15 -1.73 1.14 0.15 0.04 0.00 0.00 177.00 176.74 1mk8 s LYS 123 N -5.01 4.59 -0.27 4.56 -0.14 -1.26 -4.35 119.74 117.86 1mk8 s LYS 123 Ca 0.61 1.86 0.03 0.00 -1.36 0.00 0.00 55.97 57.11 1mk8 s LYS 123 Cb -0.16 -3.19 0.07 0.00 -1.68 0.00 0.00 37.83 32.87 1mk8 s LYS 123 CO 0.56 0.12 -0.08 0.42 -0.76 0.00 0.00 175.35 175.61 1mk8 s ILE 124 N -0.97 2.17 0.40 2.17 -1.09 -1.26 -4.82 121.20 117.80 1mk8 s ILE 124 Ca 0.46 -1.75 -0.27 0.00 -2.23 0.00 0.00 60.65 56.86 1mk8 s ILE 124 Cb -0.33 -2.34 -0.10 0.00 -1.58 0.00 0.00 42.46 38.11 1mk8 s ILE 124 CO 0.42 -0.13 1.43 -2.65 -1.23 0.00 0.00 174.94 172.77 1mk8 n PRO 125 N 4.41 2.40 -4.20 2.79 -0.02 -1.26 -4.79 135.00 134.33 1mk8 n PRO 125 Ca -0.11 0.85 -0.17 0.00 -2.02 0.00 0.00 63.50 62.05 1mk8 n PRO 125 Cb 0.42 -2.59 -0.15 0.00 -0.02 0.00 0.00 33.50 31.16 1mk8 n PRO 125 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 1mk8 s TRP 126 N -1.15 0.58 -0.02 6.00 -0.00 0.03 -4.79 118.94 119.59 1mk8 s TRP 126 Ca 0.57 -0.11 0.05 0.00 -0.00 0.00 0.00 56.10 56.61 1mk8 s TRP 126 Cb -0.48 -0.40 -0.03 0.00 -0.00 0.00 0.00 33.47 32.56 1mk8 s TRP 126 CO 0.61 -0.04 -0.17 1.03 -0.00 0.00 0.00 176.95 178.39 1mk8 s ARG 127 N 0.02 2.33 0.64 5.86 0.52 -1.26 -0.09 118.95 126.97 1mk8 s ARG 127 Ca 0.00 -0.81 0.01 0.00 -0.52 0.00 0.00 55.73 54.42 1mk8 s ARG 127 Cb -0.04 -2.28 0.09 0.00 0.52 0.00 0.00 34.95 33.23 1mk8 s ARG 127 CO -0.00 0.59 0.88 0.00 0.02 0.00 0.00 175.30 176.79 1mk8 n GLY 129 N -2.57 1.22 3.77 0.00 0.00 -1.26 -4.74 105.19 101.61 1mk8 n GLY 129 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 1mk8 n GLY 129 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1mk8 s ARG 130 N -0.03 4.07 -0.07 1.61 0.52 -1.26 -0.59 118.95 123.20 1mk8 s ARG 130 Ca 0.00 2.22 0.05 0.00 -0.52 0.00 0.00 55.73 57.47 1mk8 s ARG 130 Cb 0.00 -2.86 -0.00 0.00 0.52 0.00 0.00 34.95 32.61 1mk8 s ARG 130 CO 0.00 -0.42 -0.22 0.08 0.02 0.00 0.00 175.30 174.75 1mk8 s VAL 131 N -1.22 1.87 0.27 3.52 1.01 -1.12 -4.64 120.40 120.09 1mk8 s VAL 131 Ca 0.54 -0.94 -0.31 0.00 0.00 0.00 0.00 61.98 61.28 1mk8 s VAL 131 Cb -0.39 -1.60 -0.12 0.00 0.00 0.00 0.00 36.38 34.26 1mk8 s VAL 131 CO 0.51 0.52 1.61 0.47 0.00 0.00 0.00 175.10 178.21 1mk8 n ASP 132 N 3.29 3.77 -4.52 3.32 9.92 -1.26 -3.96 116.55 127.11 1mk8 n ASP 132 Ca -0.19 1.13 -0.25 0.00 -0.53 0.00 0.00 54.79 54.95 1mk8 n ASP 132 Cb 0.52 -1.57 -0.09 0.00 -0.64 0.00 0.00 41.12 39.34 1mk8 n ASP 132 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1mk8 s THR 133 N 0.28 2.80 0.85 -3.53 -4.23 -0.97 -5.00 115.64 105.84 1mk8 s THR 133 Ca 0.67 -2.13 -0.14 0.00 -1.18 0.00 0.00 61.69 58.91 1mk8 s THR 133 Cb -0.52 -2.45 0.02 0.00 1.34 0.00 0.00 72.50 70.90 1mk8 s THR 133 CO 0.45 -0.31 0.59 -2.65 -0.54 0.00 0.00 174.62 172.15 1mk8 n PRO 134 N -0.47 -0.02 0.14 3.99 -0.02 -1.26 -4.84 135.00 132.52 1mk8 n PRO 134 Ca -0.07 0.05 0.14 0.00 -2.02 0.00 0.00 63.50 61.60 1mk8 n PRO 134 Cb 0.59 -1.95 0.68 0.00 -0.02 0.00 0.00 33.50 32.80 1mk8 n PRO 134 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1mk8 h GLU 135 N -1.06 0.00 0.00 -0.52 4.81 -1.99 -1.10 114.58 114.72 1mk8 h GLU 135 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 1mk8 h GLU 135 Cb 1.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.69 1mk8 h GLU 135 CO 0.39 0.00 0.00 -0.40 -0.73 0.00 0.00 179.01 178.27 1mk8 n ASP 136 N -4.41 0.00 -0.74 1.04 3.85 -1.26 -2.19 116.55 112.84 1mk8 n ASP 136 Ca 0.03 -0.68 0.12 0.00 -0.71 0.00 0.00 54.79 53.55 1mk8 n ASP 136 Cb 0.33 -0.04 0.13 0.00 -1.35 0.00 0.00 41.12 40.19 1mk8 n ASP 136 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 1mk8 n THR 137 N -1.04 0.00 -2.01 2.12 -2.24 -0.41 -4.93 114.28 105.77 1mk8 n THR 137 Ca 0.18 -0.38 -0.42 0.00 -2.27 0.00 0.00 64.05 61.15 1mk8 n THR 137 Cb 0.10 1.27 -0.03 0.00 -2.10 0.00 0.00 70.33 69.57 1mk8 n THR 137 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1mk8 s THR 138 N -2.17 3.08 0.53 4.28 2.01 -0.93 -4.63 115.64 117.82 1mk8 s THR 138 Ca 0.26 0.63 -0.20 0.00 0.31 0.00 0.00 61.69 62.69 1mk8 s THR 138 Cb 0.20 -3.40 -0.06 0.00 0.01 0.00 0.00 72.50 69.24 1mk8 s THR 138 CO 0.40 0.02 1.13 -2.16 -0.69 0.00 0.00 174.62 173.31 1mk8 s PRO 139 N 2.08 3.41 0.80 4.92 0.04 -1.26 -5.01 135.00 139.98 1mk8 s PRO 139 Ca 0.70 1.61 -0.11 0.00 0.04 0.00 0.00 61.00 63.25 1mk8 s PRO 139 Cb -0.39 -2.04 0.07 0.00 0.04 0.00 0.00 34.50 32.18 1mk8 s PRO 139 CO 0.31 -0.80 1.10 -0.51 0.04 0.00 0.00 177.00 177.13 1mk8 s ASP 140 N -1.74 4.27 0.86 6.66 -0.00 -1.26 -4.71 116.67 120.75 1mk8 s ASP 140 Ca 0.72 1.82 -0.11 0.00 -0.00 0.00 0.00 52.55 54.97 1mk8 s ASP 140 Cb -0.24 -2.49 0.11 0.00 -0.00 0.00 0.00 42.92 40.30 1mk8 s ASP 140 CO 0.27 -2.18 1.09 0.20 -0.00 0.00 0.00 175.17 174.55 1mk8 s ASN 141 N -3.34 3.75 0.00 0.27 0.01 -1.26 -4.30 114.94 110.07 1mk8 s ASN 141 Ca 0.62 1.59 0.00 0.00 -0.71 0.00 0.00 52.86 54.36 1mk8 s ASN 141 Cb -0.18 -2.27 0.00 0.00 0.41 0.00 0.00 41.25 39.21 1mk8 s ASN 141 CO 0.56 -2.48 0.00 0.61 -1.51 0.00 0.00 177.10 174.29 1mk8 n GLY 142 N -1.13 0.87 0.03 0.66 0.00 -1.26 -4.97 105.19 99.38 1mk8 n GLY 142 Ca 0.08 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.21 1mk8 n GLY 142 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1mk8 n ARG 143 N -2.04 0.23 -3.06 1.61 1.74 -1.26 -4.91 116.66 108.97 1mk8 n ARG 143 Ca 0.00 -0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.78 1mk8 n ARG 143 Cb 0.00 -1.57 -0.04 0.00 -1.02 0.00 0.00 32.46 29.83 1mk8 n ARG 143 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1mk8 s LEU 144 N -3.73 3.94 0.48 0.55 1.43 -1.26 -4.77 118.68 115.32 1mk8 s LEU 144 Ca 0.05 1.02 -0.22 0.00 -1.03 0.00 0.00 54.13 53.95 1mk8 s LEU 144 Cb 0.15 -3.86 -0.07 0.00 0.03 0.00 0.00 46.19 42.43 1mk8 s LEU 144 CO 0.79 -0.30 1.12 -2.16 0.23 0.00 0.00 176.35 176.04 1mk8 s PRO 145 N -3.59 3.70 0.41 1.29 0.04 -1.26 -5.06 135.00 130.53 1mk8 s PRO 145 Ca 0.49 1.63 -0.15 0.00 0.04 0.00 0.00 61.00 63.02 1mk8 s PRO 145 Cb -0.10 -2.26 -0.08 0.00 0.04 0.00 0.00 34.50 32.09 1mk8 s PRO 145 CO 0.29 -0.56 0.83 -0.51 0.04 0.00 0.00 177.00 177.09 1mk8 s ASP 146 N -1.60 6.69 0.00 6.66 1.01 -1.26 -5.00 116.67 123.17 1mk8 s ASP 146 Ca 0.66 1.36 0.20 0.00 0.71 0.00 0.00 52.55 55.48 1mk8 s ASP 146 Cb -0.25 -2.41 -0.12 0.00 1.01 0.00 0.00 42.92 41.16 1mk8 s ASP 146 CO 0.29 -0.37 0.94 0.00 0.21 0.00 0.00 175.17 176.24 1mk8 n ALA 147 N -0.96 4.06 0.11 5.23 0.00 -1.26 -4.42 120.51 123.26 1mk8 n ALA 147 Ca 0.04 -0.59 0.07 0.00 0.00 0.00 0.00 53.44 52.96 1mk8 n ALA 147 Cb 0.54 -0.73 0.24 0.00 0.00 0.00 0.00 19.45 19.50 1mk8 n ALA 147 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1mk8 n ASP 148 N -0.78 3.35 -5.02 0.00 5.75 -1.26 -2.52 116.55 116.06 1mk8 n ASP 148 Ca 0.06 -2.27 -0.20 0.00 -0.01 0.00 0.00 54.79 52.37 1mk8 n ASP 148 Cb 0.37 -0.46 0.07 0.00 -1.03 0.00 0.00 41.12 40.07 1mk8 n ASP 148 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1mk8 n LYS 149 N 0.73 0.59 -2.60 0.11 4.76 -1.26 -4.91 118.16 115.58 1mk8 n LYS 149 Ca 0.18 -3.22 -0.14 0.00 -2.87 0.00 0.00 58.31 52.25 1mk8 n LYS 149 Cb 0.63 -0.24 0.02 0.00 -1.84 0.00 0.00 35.03 33.60 1mk8 n LYS 149 CO 0.00 0.00 0.00 -0.40 -1.37 0.00 0.00 177.40 175.63 1mk8 n ASP 150 N -2.30 1.72 -0.35 4.39 5.68 -1.26 -3.37 116.55 121.05 1mk8 n ASP 150 Ca 0.17 -2.07 0.04 0.00 -0.50 0.00 0.00 54.79 52.42 1mk8 n ASP 150 Cb 0.62 -0.14 0.19 0.00 -1.14 0.00 0.00 41.12 40.65 1mk8 n ASP 150 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1mk8 h ALA 151 N 0.49 1.39 -0.86 2.12 0.00 -1.90 -1.70 119.26 118.80 1mk8 h ALA 151 Ca -0.19 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1mk8 h ALA 151 Cb 0.79 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1mk8 h ALA 151 CO 0.29 0.33 0.45 -0.44 0.00 0.00 0.00 179.25 179.88 1mk8 h ASP 152 N 1.06 1.09 -0.24 0.00 3.32 -1.96 0.05 116.42 119.75 1mk8 h ASP 152 Ca 0.44 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.36 1mk8 h ASP 152 Cb 0.29 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.55 1mk8 h ASP 152 CO -0.21 0.89 0.06 0.22 -1.72 0.00 0.00 179.24 178.48 1mk8 h TYR 153 N 1.20 0.39 -0.22 4.55 3.20 -1.76 -1.73 116.97 122.60 1mk8 h TYR 153 Ca 0.30 -0.04 0.01 0.00 3.14 0.00 0.00 58.73 62.13 1mk8 h TYR 153 Cb 0.06 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 1mk8 h TYR 153 CO 0.01 0.46 0.14 0.28 -1.64 0.00 0.00 178.16 177.41 1mk8 h VAL 154 N 0.21 1.04 -0.17 1.81 2.07 -0.98 0.18 116.25 120.41 1mk8 h VAL 154 Ca 0.08 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.51 1mk8 h VAL 154 Cb 0.26 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 1mk8 h VAL 154 CO -0.00 0.05 0.08 -0.09 0.02 0.00 0.00 177.57 177.64 1mk8 h ARG 155 N 0.28 0.18 -0.54 1.57 2.43 -0.93 -1.75 114.38 115.62 1mk8 h ARG 155 Ca 0.09 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.19 1mk8 h ARG 155 Cb -0.02 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.47 1mk8 h ARG 155 CO -0.03 0.12 0.11 1.15 -1.51 0.00 0.00 179.97 179.80 1mk8 h THR 156 N 0.18 1.25 -0.12 0.20 2.02 -1.15 -2.94 112.91 112.35 1mk8 h THR 156 Ca 0.07 -0.92 0.03 0.00 0.77 0.00 0.00 66.41 66.36 1mk8 h THR 156 Cb 0.01 0.81 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 1mk8 h THR 156 CO -0.05 0.33 -0.09 0.15 0.37 0.00 0.00 175.52 176.24 1mk8 h PHE 157 N 0.76 -0.21 0.00 3.16 3.57 -0.35 -2.39 116.94 121.49 1mk8 h PHE 157 Ca 0.17 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.68 1mk8 h PHE 157 Cb 0.38 0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.23 1mk8 h PHE 157 CO 0.03 -0.13 0.00 1.19 -2.23 0.00 0.00 178.31 177.16 1mk8 n PHE 158 N -5.23 0.74 0.23 0.41 3.01 -0.68 -2.09 117.46 113.85 1mk8 n PHE 158 Ca -0.04 0.31 0.08 0.00 1.01 0.00 0.00 57.45 58.81 1mk8 n PHE 158 Cb 0.15 -1.00 0.54 0.00 -0.01 0.00 0.00 39.48 39.17 1mk8 n PHE 158 CO 0.00 0.00 0.00 1.96 1.01 0.00 0.00 176.76 179.73 1mk8 h GLN 159 N 0.00 0.00 0.00 -1.08 4.20 -1.24 -1.19 115.11 115.80 1mk8 h GLN 159 Ca 0.00 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.67 1mk8 h GLN 159 Cb 0.29 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.07 1mk8 h GLN 159 CO 0.00 0.22 -0.20 -0.09 -0.67 0.00 0.00 178.83 178.10 1mk8 h ARG 160 N 0.00 0.00 -0.69 1.46 2.43 -1.52 -1.51 114.38 114.55 1mk8 h ARG 160 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1mk8 h ARG 160 Cb 0.50 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 1mk8 h ARG 160 CO 0.03 0.20 0.00 1.28 -1.51 0.00 0.00 179.97 179.97 1mk8 n LEU 161 N -3.50 4.26 -3.77 3.80 4.77 -0.54 -2.15 117.00 119.87 1mk8 n LEU 161 Ca -0.01 -2.14 -0.27 0.00 -0.03 0.00 0.00 56.01 53.56 1mk8 n LEU 161 Cb 0.36 -0.53 0.05 0.00 -2.33 0.00 0.00 43.42 40.97 1mk8 n LEU 161 CO 0.32 0.87 0.13 -3.20 -1.33 0.00 0.00 177.39 174.18 1mk8 n ASN 162 N 1.34 -4.71 -4.48 -1.43 5.15 -0.57 -4.99 115.26 105.57 1mk8 n ASN 162 Ca 0.25 -0.70 -0.33 0.00 -0.60 0.00 0.00 54.58 53.19 1mk8 n ASN 162 Cb 0.74 -4.32 -0.13 0.00 -0.53 0.00 0.00 39.78 35.55 1mk8 n ASN 162 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 1mk8 s MET 163 N -6.39 3.10 0.44 1.20 -1.94 -0.67 -5.02 119.30 110.02 1mk8 s MET 163 Ca 0.53 -0.61 0.01 0.00 -1.71 0.00 0.00 55.69 53.91 1mk8 s MET 163 Cb -0.25 -2.64 0.09 0.00 2.01 0.00 0.00 34.83 34.03 1mk8 s MET 163 CO 0.79 0.43 0.60 0.27 -0.01 0.00 0.00 175.02 177.11 1mk8 n ASN 164 N 2.90 0.88 -0.12 3.03 0.23 -1.26 -4.19 115.26 116.73 1mk8 n ASN 164 Ca -0.18 -1.73 -0.05 0.00 -0.53 0.00 0.00 54.58 52.10 1mk8 n ASN 164 Cb 0.53 -0.38 0.02 0.00 -2.08 0.00 0.00 39.78 37.87 1mk8 n ASN 164 CO 0.00 0.00 0.00 0.44 -0.93 0.00 0.00 177.26 176.77 1mk8 h ASP 165 N -0.32 -0.25 -0.68 0.53 5.19 -1.99 -0.01 116.42 118.89 1mk8 h ASP 165 Ca -0.20 0.10 -0.05 0.00 -0.62 0.00 0.00 57.03 56.26 1mk8 h ASP 165 Cb 0.75 0.20 -0.03 0.00 0.18 0.00 0.00 39.33 40.43 1mk8 h ASP 165 CO 0.22 -0.08 0.22 0.03 -3.12 0.00 0.00 179.24 176.51 1mk8 h ARG 166 N 0.06 1.05 -0.66 3.56 3.08 -1.97 -1.57 114.38 117.93 1mk8 h ARG 166 Ca 0.19 -0.22 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 1mk8 h ARG 166 Cb 0.29 -0.15 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 1mk8 h ARG 166 CO -0.36 0.91 0.12 0.93 -1.07 0.00 0.00 179.97 180.50 1mk8 h GLU 167 N 0.99 1.08 0.06 0.04 5.08 -1.82 -0.78 114.58 119.23 1mk8 h GLU 167 Ca 0.22 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1mk8 h GLU 167 Cb 0.29 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.41 1mk8 h GLU 167 CO -0.01 0.98 -0.03 0.28 -1.00 0.00 0.00 179.01 179.23 1mk8 h VAL 168 N 1.01 1.08 -0.80 3.13 2.07 -0.73 -0.58 116.25 121.44 1mk8 h VAL 168 Ca 0.20 -0.48 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 1mk8 h VAL 168 Cb 0.41 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 1mk8 h VAL 168 CO 0.01 0.12 0.40 0.58 0.02 0.00 0.00 177.57 178.70 1mk8 h VAL 169 N -0.29 1.25 -0.07 2.57 2.07 -1.21 -1.62 116.25 118.95 1mk8 h VAL 169 Ca -0.01 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.84 1mk8 h VAL 169 Cb 0.26 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1mk8 h VAL 169 CO 0.01 0.29 0.03 0.00 0.02 0.00 0.00 177.57 177.93 1mk8 h ALA 170 N 1.21 0.09 -0.88 1.67 0.00 -1.05 -2.98 119.26 117.31 1mk8 h ALA 170 Ca 0.28 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.14 1mk8 h ALA 170 Cb 0.09 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 1mk8 h ALA 170 CO -0.04 -0.34 0.58 -0.07 0.00 0.00 0.00 179.25 179.38 1mk8 h LEU 171 N -0.01 0.97 -2.15 0.00 3.38 -0.87 -1.63 115.31 115.00 1mk8 h LEU 171 Ca 0.02 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1mk8 h LEU 171 Cb 0.13 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1mk8 h LEU 171 CO -0.00 0.68 0.00 -0.03 0.09 0.00 0.00 178.44 179.18 1mk8 h MET 172 N 1.13 0.00 0.00 1.13 4.05 -1.15 -2.21 114.93 117.88 1mk8 h MET 172 Ca 0.34 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.76 1mk8 h MET 172 Cb -0.03 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.77 1mk8 h MET 172 CO -0.09 0.00 0.00 0.78 0.23 0.00 0.00 176.91 177.83 1mk8 h GLY 173 N 0.88 0.00 2.00 1.39 0.00 -1.21 -0.80 103.07 105.33 1mk8 h GLY 173 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1mk8 h GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.54 1mk8 n ALA 174 N -1.81 1.37 1.13 3.60 0.00 -0.83 -1.89 120.51 122.07 1mk8 n ALA 174 Ca -0.01 0.14 0.05 0.00 0.00 0.00 0.00 53.44 53.62 1mk8 n ALA 174 Cb 0.08 -1.35 0.32 0.00 0.00 0.00 0.00 19.45 18.50 1mk8 n ALA 174 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1mk8 n HIS 175 N -2.24 0.00 0.27 0.00 8.25 -0.31 -1.08 115.22 120.11 1mk8 n HIS 175 Ca 0.00 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.62 1mk8 n HIS 175 Cb 0.14 0.00 0.56 0.00 1.12 0.00 0.00 29.99 31.80 1mk8 n HIS 175 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1mk8 h ALA 176 N 2.73 1.00 -2.65 -1.41 0.00 -1.62 -3.40 119.26 113.90 1mk8 h ALA 176 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 1mk8 h ALA 176 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1mk8 h ALA 176 CO 0.00 0.00 -0.09 -0.51 0.00 0.00 0.00 179.25 178.65 1mk8 s LEU 177 N -6.18 4.43 0.00 0.00 1.43 -0.24 -4.38 118.68 113.74 1mk8 s LEU 177 Ca 0.03 1.12 0.00 0.00 -1.03 0.00 0.00 54.13 54.24 1mk8 s LEU 177 Cb 0.08 -3.01 0.00 0.00 0.03 0.00 0.00 46.19 43.29 1mk8 s LEU 177 CO 0.57 0.21 0.00 0.61 0.23 0.00 0.00 176.35 177.97 1mk8 n GLY 178 N 1.31 2.22 3.77 -3.19 0.00 0.15 -4.89 105.19 104.56 1mk8 n GLY 178 Ca -0.09 -0.48 -0.04 0.00 0.00 0.00 0.00 46.02 45.42 1mk8 n GLY 178 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1mk8 s LYS 179 N 0.00 1.26 0.11 1.61 -2.85 -1.26 -4.19 119.74 114.43 1mk8 s LYS 179 Ca 0.00 -0.71 -0.11 0.00 -1.00 0.00 0.00 55.97 54.15 1mk8 s LYS 179 Cb 0.00 0.42 -0.06 0.00 -2.06 0.00 0.00 37.83 36.13 1mk8 s LYS 179 CO 0.00 -0.58 0.45 0.95 0.10 0.00 0.00 175.35 176.27 1mk8 s THR 180 N -3.24 5.03 -0.17 3.79 -4.23 -0.29 -4.96 115.64 111.57 1mk8 s THR 180 Ca 0.13 0.52 0.01 0.00 -1.18 0.00 0.00 61.69 61.16 1mk8 s THR 180 Cb -0.02 -3.66 0.02 0.00 1.34 0.00 0.00 72.50 70.18 1mk8 s THR 180 CO 0.03 0.23 -0.19 -1.00 -0.54 0.00 0.00 174.62 173.15 1mk8 s HIS 181 N -1.47 2.61 0.28 3.99 0.09 -1.07 -2.19 115.29 117.54 1mk8 s HIS 181 Ca 0.36 -1.52 0.00 0.00 -0.00 0.00 0.00 55.06 53.91 1mk8 s HIS 181 Cb -0.14 -1.83 0.66 0.00 -0.00 0.00 0.00 32.58 31.28 1mk8 s HIS 181 CO 0.19 -0.76 1.63 1.25 -0.00 0.00 0.00 174.74 177.06 1mk8 h LEU 182 N 7.92 -0.13 -1.89 0.89 5.85 -1.18 0.14 115.31 126.91 1mk8 h LEU 182 Ca -0.43 0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.47 1mk8 h LEU 182 Cb 1.14 0.31 -0.00 0.00 0.37 0.00 0.00 40.66 42.48 1mk8 h LEU 182 CO 0.61 -0.19 -0.12 0.11 -0.34 0.00 0.00 178.44 178.51 1mk8 h LYS 183 N 0.16 0.00 0.01 1.25 1.79 -1.96 -0.89 116.57 116.93 1mk8 h LYS 183 Ca 0.53 0.00 -0.25 0.00 -2.18 0.00 0.00 60.65 58.75 1mk8 h LYS 183 Cb 1.05 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.67 1mk8 h LYS 183 CO -0.69 0.12 -1.34 -0.91 -1.08 0.00 0.00 179.45 175.55 1mk8 h ASN 184 N 0.00 0.04 0.00 0.86 2.35 -1.06 -3.44 115.58 114.32 1mk8 h ASN 184 Ca -0.00 -0.54 0.00 0.00 -0.55 0.00 0.00 56.30 55.21 1mk8 h ASN 184 Cb 0.34 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.70 1mk8 h ASN 184 CO 0.02 1.53 0.00 -1.54 -1.65 0.00 0.00 177.43 175.79 1mk8 n SER 185 N -4.35 0.13 0.00 5.81 3.41 -0.84 -4.68 113.62 113.10 1mk8 n SER 185 Ca -0.32 -0.56 0.00 0.00 -0.26 0.00 0.00 58.87 57.72 1mk8 n SER 185 Cb 0.72 0.87 0.00 0.00 -0.26 0.00 0.00 64.21 65.53 1mk8 n SER 185 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1mk8 n GLY 186 N 0.87 0.61 3.12 5.00 0.00 -0.34 -5.03 105.19 109.41 1mk8 n GLY 186 Ca 0.00 -0.49 -0.16 0.00 0.00 0.00 0.00 46.02 45.37 1mk8 n GLY 186 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mk8 s TYR 187 N -2.00 0.96 -0.02 1.61 2.02 -1.26 -4.66 117.35 113.99 1mk8 s TYR 187 Ca 0.00 -0.46 0.00 0.00 -0.37 0.00 0.00 57.07 56.25 1mk8 s TYR 187 Cb 0.00 -0.55 0.02 0.00 -0.40 0.00 0.00 41.96 41.03 1mk8 s TYR 187 CO 0.00 -0.01 0.00 -2.00 -1.57 0.00 0.00 175.55 171.98 1mk8 s GLU 188 N -1.57 0.22 0.00 -0.62 2.56 -1.26 -0.55 118.70 117.47 1mk8 s GLU 188 Ca -0.05 0.07 0.00 0.00 0.00 0.00 0.00 54.97 54.99 1mk8 s GLU 188 Cb -0.10 -0.39 0.00 0.00 2.00 0.00 0.00 34.13 35.65 1mk8 s GLU 188 CO 0.01 -0.11 0.00 0.41 -0.56 0.00 0.00 175.26 175.01 1mk8 n GLY 189 N 3.96 3.59 3.91 -1.50 0.00 -0.93 -4.88 105.19 109.34 1mk8 n GLY 189 Ca -0.25 -1.78 -0.27 0.00 0.00 0.00 0.00 46.02 43.73 1mk8 n GLY 189 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1mk8 s PRO 190 N -3.37 3.55 0.24 1.61 0.04 -1.26 -1.13 135.00 134.67 1mk8 s PRO 190 Ca 0.00 0.10 0.23 0.00 0.04 0.00 0.00 61.00 61.37 1mk8 s PRO 190 Cb 0.00 -2.45 0.19 0.00 0.04 0.00 0.00 34.50 32.29 1mk8 s PRO 190 CO 0.00 -0.10 1.27 -1.49 0.04 0.00 0.00 177.00 176.72 1mk8 h TRP 191 N 0.46 0.00 -1.59 0.56 6.55 -1.73 0.62 115.95 120.82 1mk8 h TRP 191 Ca -0.48 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.36 1mk8 h TRP 191 Cb 1.21 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.51 1mk8 h TRP 191 CO 0.57 0.00 0.00 0.41 -1.05 0.00 0.00 178.44 178.37 1mk8 n GLY 192 N 1.20 2.64 0.13 1.49 0.00 -1.26 -4.58 105.19 104.80 1mk8 n GLY 192 Ca 0.02 -0.98 -0.22 0.00 0.00 0.00 0.00 46.02 44.84 1mk8 n GLY 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1mk8 n ALA 193 N -3.00 0.90 -2.32 4.61 0.00 -1.26 -4.55 120.51 114.89 1mk8 n ALA 193 Ca 0.00 -0.61 -0.42 0.00 0.00 0.00 0.00 53.44 52.41 1mk8 n ALA 193 Cb 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 18.88 1mk8 n ALA 193 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1mk8 n ALA 194 N -3.19 5.47 0.03 0.00 0.00 -1.26 -4.83 120.51 116.73 1mk8 n ALA 194 Ca -0.34 -4.31 0.22 0.00 0.00 0.00 0.00 53.44 49.01 1mk8 n ALA 194 Cb 0.93 -2.96 0.72 0.00 0.00 0.00 0.00 19.45 18.14 1mk8 n ALA 194 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 177.50 176.59 1mk8 h ASN 195 N 5.66 0.00 0.00 0.00 -0.26 -1.80 -2.61 115.58 116.57 1mk8 h ASN 195 Ca 0.41 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 56.13 1mk8 h ASN 195 Cb 0.61 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.81 1mk8 h ASN 195 CO 1.62 0.00 -0.46 -0.46 -1.06 0.00 0.00 177.43 177.07 1mk8 n ASN 196 N -3.73 1.66 -3.99 5.81 0.23 -1.26 -0.68 115.26 113.30 1mk8 n ASN 196 Ca 0.10 -3.34 -0.27 0.00 -0.53 0.00 0.00 54.58 50.54 1mk8 n ASN 196 Cb 0.74 -0.46 -0.17 0.00 -2.08 0.00 0.00 39.78 37.81 1mk8 n ASN 196 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1mk8 s VAL 197 N -2.52 1.25 -0.42 3.53 1.01 -0.98 -4.72 120.40 117.54 1mk8 s VAL 197 Ca 0.34 -0.48 -0.29 0.00 0.00 0.00 0.00 61.98 61.55 1mk8 s VAL 197 Cb 0.33 -1.18 0.02 0.00 0.00 0.00 0.00 36.38 35.56 1mk8 s VAL 197 CO -0.06 0.39 1.15 0.12 0.00 0.00 0.00 175.10 176.71 1mk8 s PHE 198 N 1.19 2.86 0.21 5.22 5.36 0.68 -4.83 117.98 128.67 1mk8 s PHE 198 Ca -0.04 0.84 0.02 0.00 -0.96 0.00 0.00 56.93 56.79 1mk8 s PHE 198 Cb -0.14 -4.21 -0.01 0.00 -0.34 0.00 0.00 43.02 38.32 1mk8 s PHE 198 CO -0.03 -1.22 0.24 0.25 -1.46 0.00 0.00 175.22 172.99 1mk8 n THR 199 N 6.59 0.00 -0.37 0.12 -2.24 -1.26 -4.34 114.28 112.77 1mk8 n THR 199 Ca 0.12 -1.29 -0.03 0.00 -2.27 0.00 0.00 64.05 60.58 1mk8 n THR 199 Cb 0.48 0.71 0.22 0.00 -2.10 0.00 0.00 70.33 69.64 1mk8 n THR 199 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1mk8 n ASN 200 N -2.00 3.96 -0.05 3.42 2.04 -1.26 -4.53 115.26 116.84 1mk8 n ASN 200 Ca 0.03 -2.81 0.15 0.00 -0.44 0.00 0.00 54.58 51.50 1mk8 n ASN 200 Cb 0.37 -0.67 0.56 0.00 -2.53 0.00 0.00 39.78 37.51 1mk8 n ASN 200 CO 0.00 0.00 0.00 -0.08 -0.44 0.00 0.00 177.26 176.74 1mk8 h GLU 201 N 1.94 0.26 -0.49 -3.83 4.81 -1.95 -2.44 114.58 112.88 1mk8 h GLU 201 Ca 0.17 -0.02 0.08 0.00 -0.13 0.00 0.00 59.36 59.46 1mk8 h GLU 201 Cb 1.80 -0.06 -0.07 0.00 0.63 0.00 0.00 28.75 31.06 1mk8 h GLU 201 CO 0.50 0.17 0.10 0.35 -0.73 0.00 0.00 179.01 179.40 1mk8 h PHE 202 N 0.27 0.16 -0.30 0.92 3.57 -1.84 0.35 116.94 120.06 1mk8 h PHE 202 Ca 0.27 0.03 -0.14 0.00 3.53 0.00 0.00 57.97 61.66 1mk8 h PHE 202 Cb 0.69 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.43 1mk8 h PHE 202 CO -0.00 -0.00 -0.36 1.88 -2.23 0.00 0.00 178.31 177.59 1mk8 h TYR 203 N 0.24 0.95 -0.71 0.41 -1.99 -1.79 -1.88 116.97 112.20 1mk8 h TYR 203 Ca 0.25 -0.30 -0.01 0.00 2.00 0.00 0.00 58.73 60.66 1mk8 h TYR 203 Cb 0.33 -0.19 -0.03 0.00 2.00 0.00 0.00 36.73 38.83 1mk8 h TYR 203 CO -0.22 1.08 0.39 -0.07 -0.00 0.00 0.00 178.16 179.34 1mk8 h LEU 204 N 0.54 0.88 -0.50 3.88 3.38 -1.36 -2.29 115.31 119.84 1mk8 h LEU 204 Ca 0.04 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.84 1mk8 h LEU 204 Cb 0.95 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 1mk8 h LEU 204 CO 0.09 0.72 -0.01 0.78 0.09 0.00 0.00 178.44 180.10 1mk8 h ASN 205 N 0.97 0.87 -0.70 -0.43 2.35 -0.87 0.16 115.58 117.93 1mk8 h ASN 205 Ca 0.25 -0.31 0.08 0.00 -0.55 0.00 0.00 56.30 55.76 1mk8 h ASN 205 Cb 0.03 -0.23 -0.06 0.00 0.05 0.00 0.00 38.32 38.10 1mk8 h ASN 205 CO -0.04 0.97 0.37 -0.07 -1.65 0.00 0.00 177.43 177.01 1mk8 h LEU 206 N 0.74 0.53 0.15 1.61 3.38 -1.05 -1.48 115.31 119.18 1mk8 h LEU 206 Ca 0.14 0.04 -0.30 0.00 0.09 0.00 0.00 57.88 57.85 1mk8 h LEU 206 Cb 0.53 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.23 1mk8 h LEU 206 CO 0.03 0.32 -1.45 -0.07 0.09 0.00 0.00 178.44 177.36 1mk8 h LEU 207 N 0.66 0.49 0.00 1.67 3.38 -1.25 -3.40 115.31 116.87 1mk8 h LEU 207 Ca 0.33 -0.60 -0.20 0.00 0.09 0.00 0.00 57.88 57.49 1mk8 h LEU 207 Cb 0.28 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 1mk8 h LEU 207 CO -0.22 1.49 -1.72 0.59 0.09 0.00 0.00 178.44 178.66 1mk8 n ASN 208 N -3.53 0.57 -4.83 -0.43 5.03 0.56 -4.96 115.26 107.67 1mk8 n ASN 208 Ca -0.15 0.26 -0.32 0.00 0.87 0.00 0.00 54.58 55.24 1mk8 n ASN 208 Cb 1.05 0.54 0.01 0.00 -1.02 0.00 0.00 39.78 40.36 1mk8 n ASN 208 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 1mk8 s GLU 209 N -2.87 3.43 -0.49 3.52 0.41 -0.57 -5.01 118.70 117.14 1mk8 s GLU 209 Ca -0.05 0.98 -0.17 0.00 -0.41 0.00 0.00 54.97 55.31 1mk8 s GLU 209 Cb 0.09 -2.06 0.06 0.00 -1.78 0.00 0.00 34.13 30.44 1mk8 s GLU 209 CO 0.83 -0.70 0.50 -0.51 -0.49 0.00 0.00 175.26 174.88 1mk8 s ASP 210 N -3.43 6.18 0.04 -0.19 -0.00 -1.26 -4.96 116.67 113.05 1mk8 s ASP 210 Ca 0.59 -1.12 -0.13 0.00 -0.00 0.00 0.00 52.55 51.88 1mk8 s ASP 210 Cb -0.13 -2.23 -0.06 0.00 -0.00 0.00 0.00 42.92 40.50 1mk8 s ASP 210 CO 0.44 -0.75 0.42 0.26 -0.00 0.00 0.00 175.17 175.54 1mk8 s TRP 211 N 2.09 3.68 -0.07 4.23 0.52 -1.26 -4.21 118.94 123.93 1mk8 s TRP 211 Ca 0.09 0.95 0.03 0.00 0.02 0.00 0.00 56.10 57.19 1mk8 s TRP 211 Cb -0.22 -2.26 0.01 0.00 -1.15 0.00 0.00 33.47 29.85 1mk8 s TRP 211 CO 0.09 0.59 -0.15 0.15 0.02 0.00 0.00 176.95 177.65 1mk8 s LYS 212 N -1.39 1.91 -0.43 4.98 1.02 0.14 -4.92 119.74 121.06 1mk8 s LYS 212 Ca 0.28 -0.52 -0.29 0.00 0.02 0.00 0.00 55.97 55.46 1mk8 s LYS 212 Cb -0.16 -1.56 0.02 0.00 -0.52 0.00 0.00 37.83 35.62 1mk8 s LYS 212 CO 0.15 0.09 1.14 -1.17 -0.92 0.00 0.00 175.35 174.64 1mk8 s LEU 213 N 0.50 3.72 0.36 3.17 2.96 -1.26 -0.76 118.68 127.37 1mk8 s LEU 213 Ca -0.13 0.66 0.03 0.00 -0.22 0.00 0.00 54.13 54.47 1mk8 s LEU 213 Cb -0.15 -3.55 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 1mk8 s LEU 213 CO 0.04 -1.15 0.09 -1.61 -1.32 0.00 0.00 176.35 172.40 1mk8 s GLU 214 N 4.24 1.77 -0.13 1.98 2.02 -0.49 -4.96 118.70 123.13 1mk8 s GLU 214 Ca 0.48 -2.03 -0.02 0.00 0.02 0.00 0.00 54.97 53.41 1mk8 s GLU 214 Cb -0.09 -0.72 -0.03 0.00 0.10 0.00 0.00 34.13 33.40 1mk8 s GLU 214 CO 0.27 -0.33 -0.05 0.15 0.02 0.00 0.00 175.26 175.32 1mk8 s LYS 215 N -3.82 3.45 0.62 1.61 1.02 -1.26 -0.82 119.74 120.53 1mk8 s LYS 215 Ca 0.30 -0.53 -0.07 0.00 0.02 0.00 0.00 55.97 55.69 1mk8 s LYS 215 Cb 0.06 -2.82 0.14 0.00 -0.52 0.00 0.00 37.83 34.68 1mk8 s LYS 215 CO 0.15 0.34 0.85 0.27 -0.92 0.00 0.00 175.35 176.04 1mk8 n ASN 216 N 3.22 0.49 0.00 2.83 0.23 -0.17 -4.90 115.26 116.96 1mk8 n ASN 216 Ca -0.18 -1.57 0.06 0.00 -0.53 0.00 0.00 54.58 52.36 1mk8 n ASN 216 Cb 0.53 -0.61 0.28 0.00 -2.08 0.00 0.00 39.78 37.90 1mk8 n ASN 216 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1mk8 n ASP 217 N -3.30 0.00 -1.17 0.53 8.00 -1.26 -1.29 116.55 118.06 1mk8 n ASP 217 Ca 0.12 0.13 0.11 0.00 0.71 0.00 0.00 54.79 55.86 1mk8 n ASP 217 Cb 0.42 -0.29 0.24 0.00 -0.02 0.00 0.00 41.12 41.48 1mk8 n ASP 217 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1mk8 n ALA 218 N -1.29 2.39 -1.99 2.24 0.00 -1.26 -4.94 120.51 115.66 1mk8 n ALA 218 Ca 0.05 -1.10 -0.12 0.00 0.00 0.00 0.00 53.44 52.27 1mk8 n ALA 218 Cb 0.09 -0.84 -0.02 0.00 0.00 0.00 0.00 19.45 18.68 1mk8 n ALA 218 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1mk8 n ASN 219 N 1.46 -4.04 -4.59 0.00 4.05 -0.41 -5.02 115.26 106.71 1mk8 n ASN 219 Ca 0.20 0.08 -0.32 0.00 0.45 0.00 0.00 54.58 54.99 1mk8 n ASN 219 Cb 0.59 -3.07 -0.10 0.00 1.23 0.00 0.00 39.78 38.43 1mk8 n ASN 219 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 177.26 174.41 1mk8 s ASN 220 N -2.57 4.58 0.21 1.20 0.01 -1.26 -4.87 114.94 112.24 1mk8 s ASN 220 Ca 0.00 -0.18 -0.29 0.00 -0.71 0.00 0.00 52.86 51.68 1mk8 s ASN 220 Cb 0.00 -1.04 -0.08 0.00 0.41 0.00 0.00 41.25 40.53 1mk8 s ASN 220 CO 0.00 0.27 0.90 -1.61 -1.51 0.00 0.00 177.10 175.15 1mk8 s GLU 221 N -1.52 4.77 0.03 -0.60 2.02 -1.26 -1.00 118.70 121.14 1mk8 s GLU 221 Ca 0.18 1.40 -0.17 0.00 0.02 0.00 0.00 54.97 56.39 1mk8 s GLU 221 Cb -0.11 -3.29 0.03 0.00 0.10 0.00 0.00 34.13 30.86 1mk8 s GLU 221 CO 0.08 0.50 0.38 1.14 0.02 0.00 0.00 175.26 177.38 1mk8 s GLN 222 N -1.03 0.86 -0.16 1.61 -2.07 -0.00 -4.61 119.66 114.24 1mk8 s GLN 222 Ca 0.40 -0.35 -0.20 0.00 -1.82 0.00 0.00 55.36 53.39 1mk8 s GLN 222 Cb -0.25 0.38 -0.03 0.00 -1.09 0.00 0.00 33.01 32.02 1mk8 s GLN 222 CO 0.30 -0.28 0.58 -1.58 -1.32 0.00 0.00 175.29 172.99 1mk8 s TRP 223 N -2.26 3.43 0.09 9.60 0.52 -0.24 -1.40 118.94 128.68 1mk8 s TRP 223 Ca -0.07 0.93 0.09 0.00 0.02 0.00 0.00 56.10 57.07 1mk8 s TRP 223 Cb -0.01 -2.72 -0.04 0.00 -1.15 0.00 0.00 33.47 29.55 1mk8 s TRP 223 CO -0.01 -0.05 -0.22 -0.51 0.02 0.00 0.00 176.95 176.18 1mk8 s ASP 224 N 1.01 3.59 0.22 2.95 1.01 0.06 -0.40 116.67 125.11 1mk8 s ASP 224 Ca 0.28 -0.58 0.11 0.00 0.71 0.00 0.00 52.55 53.07 1mk8 s ASP 224 Cb -0.16 -0.43 -0.05 0.00 1.01 0.00 0.00 42.92 43.29 1mk8 s ASP 224 CO 0.11 0.21 -0.19 -0.94 0.21 0.00 0.00 175.17 174.57 1mk8 s SER 225 N -1.79 3.67 0.60 0.27 1.04 -0.64 -0.68 113.70 116.17 1mk8 s SER 225 Ca 0.15 -0.86 0.40 0.00 0.48 0.00 0.00 55.95 56.11 1mk8 s SER 225 Cb -0.10 -0.37 1.99 0.00 0.10 0.00 0.00 66.02 67.63 1mk8 s SER 225 CO 0.06 0.09 2.20 0.11 0.98 0.00 0.00 173.24 176.68 1mk8 h LYS 226 N 2.80 0.00 0.00 4.02 1.57 -1.89 -1.37 116.57 121.69 1mk8 h LYS 226 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1mk8 h LYS 226 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1mk8 h LYS 226 CO 0.53 0.00 0.00 0.43 -0.57 0.00 0.00 179.45 179.84 1mk8 n SER 227 N -3.02 0.00 0.00 0.86 7.64 -1.26 -4.87 113.62 112.97 1mk8 n SER 227 Ca -0.02 0.38 0.00 0.00 1.01 0.00 0.00 58.87 60.24 1mk8 n SER 227 Cb 0.15 -0.45 0.00 0.00 -1.01 0.00 0.00 64.21 62.90 1mk8 n SER 227 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1mk8 n GLY 228 N 0.69 0.83 3.90 0.23 0.00 -0.52 -5.07 105.19 105.26 1mk8 n GLY 228 Ca 0.06 -0.34 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 1mk8 n GLY 228 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1mk8 s TYR 229 N -2.00 2.87 0.11 1.61 4.12 -1.24 -4.44 117.35 118.39 1mk8 s TYR 229 Ca 0.00 -0.35 -0.05 0.00 0.02 0.00 0.00 57.07 56.68 1mk8 s TYR 229 Cb 0.00 -2.01 -0.02 0.00 -1.52 0.00 0.00 41.96 38.41 1mk8 s TYR 229 CO 0.00 -0.01 0.14 0.00 0.02 0.00 0.00 175.55 175.70 1mk8 s MET 230 N -4.11 0.91 -0.02 -0.62 0.23 0.21 -1.61 119.30 114.29 1mk8 s MET 230 Ca 0.45 -1.18 -0.01 0.00 -1.03 0.00 0.00 55.69 53.92 1mk8 s MET 230 Cb -0.06 0.30 0.01 0.00 -1.53 0.00 0.00 34.83 33.55 1mk8 s MET 230 CO 0.28 -0.28 0.03 -1.64 -2.03 0.00 0.00 175.02 171.39 1mk8 s MET 231 N -3.95 0.01 0.66 3.16 -1.94 0.47 -4.20 119.30 113.52 1mk8 s MET 231 Ca 0.13 0.10 -0.11 0.00 -1.71 0.00 0.00 55.69 54.10 1mk8 s MET 231 Cb 0.06 -0.08 -0.01 0.00 2.01 0.00 0.00 34.83 36.81 1mk8 s MET 231 CO -0.05 -0.07 1.05 -0.51 -0.01 0.00 0.00 175.02 175.44 1mk8 s LEU 232 N 0.42 3.20 0.40 -0.03 1.43 -1.26 -1.08 118.68 121.75 1mk8 s LEU 232 Ca -0.03 1.60 0.11 0.00 -1.03 0.00 0.00 54.13 54.77 1mk8 s LEU 232 Cb -0.05 -4.49 0.91 0.00 0.03 0.00 0.00 46.19 42.59 1mk8 s LEU 232 CO -0.01 -1.28 1.95 -0.65 0.23 0.00 0.00 176.35 176.59 1mk8 h PRO 233 N -0.47 0.55 -0.04 1.29 0.11 -1.79 0.03 132.00 131.67 1mk8 h PRO 233 Ca -0.44 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.53 1mk8 h PRO 233 Cb 1.21 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 1mk8 h PRO 233 CO 0.58 0.36 -0.45 1.79 -0.21 0.00 0.00 178.00 180.07 1mk8 h THR 234 N 0.56 1.33 -0.04 -1.15 1.35 -1.50 -1.16 112.91 112.31 1mk8 h THR 234 Ca 0.32 -1.58 -0.02 0.00 -0.55 0.00 0.00 66.41 64.58 1mk8 h THR 234 Cb 0.51 1.81 -0.00 0.00 -1.73 0.00 0.00 68.15 68.74 1mk8 h THR 234 CO -0.11 0.46 -0.05 0.44 -0.25 0.00 0.00 175.52 176.01 1mk8 h ASP 235 N 0.07 0.11 0.10 5.36 3.32 -1.38 -3.14 116.42 120.86 1mk8 h ASP 235 Ca 0.00 -0.52 -0.01 0.00 0.02 0.00 0.00 57.03 56.52 1mk8 h ASP 235 Cb 0.83 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.35 1mk8 h ASP 235 CO 0.06 0.61 -0.06 0.22 -1.72 0.00 0.00 179.24 178.35 1mk8 h TYR 236 N -0.39 0.00 0.00 4.55 5.03 -1.00 -1.72 116.97 123.44 1mk8 h TYR 236 Ca 0.00 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.31 1mk8 h TYR 236 Cb 0.58 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.86 1mk8 h TYR 236 CO 0.10 0.06 -0.01 0.66 -1.32 0.00 0.00 178.16 177.65 1mk8 h SER 237 N 0.00 0.00 0.70 -2.11 4.64 -1.16 -1.63 113.55 113.99 1mk8 h SER 237 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1mk8 h SER 237 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 1mk8 h SER 237 CO 0.01 0.01 0.00 -0.07 -0.87 0.00 0.00 176.83 175.91 1mk8 h LEU 238 N 0.00 0.00 -1.07 5.97 3.38 -1.42 -2.00 115.31 120.17 1mk8 h LEU 238 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1mk8 h LEU 238 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1mk8 h LEU 238 CO 0.00 0.00 -0.11 2.30 0.09 0.00 0.00 178.44 180.72 1mk8 n ILE 239 N -2.53 0.00 -0.00 1.22 -5.35 -0.62 -1.51 119.36 110.57 1mk8 n ILE 239 Ca 0.01 -0.44 -0.16 0.00 -0.27 0.00 0.00 62.75 61.89 1mk8 n ILE 239 Cb 0.22 1.17 -0.14 0.00 -1.74 0.00 0.00 39.64 39.15 1mk8 n ILE 239 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 1mk8 h GLN 240 N 1.62 0.15 -6.13 6.28 4.20 -1.33 -3.45 115.11 116.45 1mk8 h GLN 240 Ca 0.00 -0.26 -0.56 0.00 0.06 0.00 0.00 58.65 57.89 1mk8 h GLN 240 Cb 0.40 0.10 -0.05 0.00 0.30 0.00 0.00 27.48 28.23 1mk8 h GLN 240 CO 0.00 0.90 0.28 0.34 -0.67 0.00 0.00 178.83 179.68 1mk8 s ASP 241 N -6.63 7.11 0.41 1.46 2.15 -0.81 -4.97 116.67 115.40 1mk8 s ASP 241 Ca -0.14 1.34 0.08 0.00 0.43 0.00 0.00 52.55 54.26 1mk8 s ASP 241 Cb 0.07 -2.48 0.87 0.00 -0.30 0.00 0.00 42.92 41.08 1mk8 s ASP 241 CO 0.80 -0.25 2.03 1.55 -0.17 0.00 0.00 175.17 179.13 1mk8 h PRO 242 N 6.94 0.45 -0.11 4.34 0.13 -1.91 0.17 132.00 142.02 1mk8 h PRO 242 Ca -0.37 -0.04 -0.12 0.00 -0.87 0.00 0.00 66.00 64.59 1mk8 h PRO 242 Cb 1.18 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.22 1mk8 h PRO 242 CO 0.78 0.34 -0.41 0.87 -0.23 0.00 0.00 178.00 179.35 1mk8 h LYS 243 N 0.45 0.48 -0.65 0.86 1.57 -1.93 -2.85 116.57 114.49 1mk8 h LYS 243 Ca 0.12 -0.36 -0.07 0.00 -1.87 0.00 0.00 60.65 58.47 1mk8 h LYS 243 Cb 0.04 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.39 1mk8 h LYS 243 CO -0.02 0.99 0.14 1.88 -0.57 0.00 0.00 179.45 181.88 1mk8 h TYR 244 N 0.06 1.11 -0.68 -1.35 0.99 -1.75 -3.08 116.97 112.28 1mk8 h TYR 244 Ca -0.02 -0.14 0.08 0.00 2.00 0.00 0.00 58.73 60.65 1mk8 h TYR 244 Cb 1.05 -0.31 -0.06 0.00 1.00 0.00 0.00 36.73 38.40 1mk8 h TYR 244 CO 0.11 0.93 0.35 1.25 -0.00 0.00 0.00 178.16 180.79 1mk8 h LEU 245 N 0.98 0.47 -0.97 3.88 5.85 0.15 -0.32 115.31 125.35 1mk8 h LEU 245 Ca 0.20 0.05 0.04 0.00 0.84 0.00 0.00 57.88 59.01 1mk8 h LEU 245 Cb 0.38 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 41.32 1mk8 h LEU 245 CO 0.01 0.29 0.63 0.28 -0.34 0.00 0.00 178.44 179.30 1mk8 h SER 246 N 0.61 1.06 -0.15 1.25 0.02 -1.41 -1.32 113.55 113.60 1mk8 h SER 246 Ca 0.32 -0.01 -0.19 0.00 -0.84 0.00 0.00 61.79 61.08 1mk8 h SER 246 Cb 0.29 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.59 1mk8 h SER 246 CO -0.24 0.72 -0.60 0.40 -1.14 0.00 0.00 176.83 175.98 1mk8 h ILE 247 N 1.23 1.29 -0.79 3.27 2.04 -1.35 -2.06 117.51 121.14 1mk8 h ILE 247 Ca 0.39 -1.81 0.01 0.00 1.00 0.00 0.00 64.86 64.45 1mk8 h ILE 247 Cb 0.00 1.75 -0.04 0.00 -0.74 0.00 0.00 36.82 37.79 1mk8 h ILE 247 CO -0.12 0.58 0.52 0.58 0.00 0.00 0.00 178.15 179.70 1mk8 h VAL 248 N 0.57 1.18 -0.51 1.67 2.07 -0.61 -1.53 116.25 119.08 1mk8 h VAL 248 Ca -0.00 -0.36 -0.07 0.00 0.82 0.00 0.00 66.70 67.09 1mk8 h VAL 248 Cb 1.19 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 1mk8 h VAL 248 CO 0.12 0.19 0.02 0.11 0.02 0.00 0.00 177.57 178.03 1mk8 h LYS 249 N 1.04 0.85 -0.06 1.57 1.57 -1.12 -0.89 116.57 119.53 1mk8 h LYS 249 Ca 0.29 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1mk8 h LYS 249 Cb -0.09 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.12 1mk8 h LYS 249 CO -0.07 0.84 0.04 1.49 -0.57 0.00 0.00 179.45 181.17 1mk8 h GLU 250 N 0.80 0.09 -0.07 3.15 4.81 -0.62 -2.30 114.58 120.43 1mk8 h GLU 250 Ca 0.16 -0.01 -0.11 0.00 -0.13 0.00 0.00 59.36 59.27 1mk8 h GLU 250 Cb 0.45 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 1mk8 h GLU 250 CO 0.02 0.10 -0.45 1.88 -0.73 0.00 0.00 179.01 179.83 1mk8 h TYR 251 N 0.05 0.19 0.00 0.92 0.99 -1.17 -1.96 116.97 115.99 1mk8 h TYR 251 Ca 0.02 -0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.70 1mk8 h TYR 251 Cb 0.03 -0.04 0.00 0.00 1.00 0.00 0.00 36.73 37.72 1mk8 h TYR 251 CO -0.06 0.59 0.00 0.00 -0.00 0.00 0.00 178.16 178.68 1mk8 h ALA 252 N 1.41 1.00 -0.27 3.88 0.00 -0.92 -2.99 119.26 121.36 1mk8 h ALA 252 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1mk8 h ALA 252 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1mk8 h ALA 252 CO 0.07 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.41 1mk8 n ASN 253 N -3.07 2.72 -3.29 0.00 3.02 -0.87 -4.84 115.26 108.93 1mk8 n ASN 253 Ca 0.00 -1.98 -0.08 0.00 -0.03 0.00 0.00 54.58 52.49 1mk8 n ASN 253 Cb 0.27 -0.18 -0.05 0.00 -0.61 0.00 0.00 39.78 39.21 1mk8 n ASN 253 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1mk8 s ASP 254 N -0.99 -0.10 0.24 6.41 -1.08 -0.79 -5.02 116.67 115.34 1mk8 s ASP 254 Ca 0.19 -1.03 -0.07 0.00 -0.52 0.00 0.00 52.55 51.12 1mk8 s ASP 254 Cb 0.10 1.24 0.25 0.00 -1.46 0.00 0.00 42.92 43.04 1mk8 s ASP 254 CO 0.13 -0.24 1.92 1.56 0.52 0.00 0.00 175.17 179.06 1mk8 h GLN 255 N 7.23 1.29 -0.47 4.34 4.20 -1.88 -2.13 115.11 127.68 1mk8 h GLN 255 Ca 0.03 -0.08 -0.06 0.00 0.06 0.00 0.00 58.65 58.59 1mk8 h GLN 255 Cb 1.12 -0.29 -0.02 0.00 0.30 0.00 0.00 27.48 28.59 1mk8 h GLN 255 CO 0.17 0.86 0.05 0.22 -0.67 0.00 0.00 178.83 179.45 1mk8 h ASP 256 N 1.33 0.78 -0.59 1.46 3.58 -1.95 -1.51 116.42 119.51 1mk8 h ASP 256 Ca 0.36 -0.28 -0.02 0.00 0.42 0.00 0.00 57.03 57.51 1mk8 h ASP 256 Cb -0.14 -0.21 -0.03 0.00 1.72 0.00 0.00 39.33 40.67 1mk8 h ASP 256 CO -0.08 0.87 0.30 0.50 -2.88 0.00 0.00 179.24 177.95 1mk8 h LYS 257 N 0.67 0.84 -0.31 0.28 1.63 -1.90 -0.83 116.57 116.95 1mk8 h LYS 257 Ca 0.14 -0.11 0.00 0.00 -0.85 0.00 0.00 60.65 59.83 1mk8 h LYS 257 Cb 0.44 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.90 1mk8 h LYS 257 CO 0.02 0.66 0.19 0.35 -3.45 0.00 0.00 179.45 177.22 1mk8 h PHE 258 N 0.80 0.39 -0.48 1.91 3.57 -1.23 -0.71 116.94 121.19 1mk8 h PHE 258 Ca 0.21 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.74 1mk8 h PHE 258 Cb 0.08 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 38.65 1mk8 h PHE 258 CO -0.01 0.27 0.26 0.74 -2.23 0.00 0.00 178.31 177.35 1mk8 h PHE 259 N 0.40 0.49 -0.36 0.41 0.05 -0.86 0.19 116.94 117.25 1mk8 h PHE 259 Ca 0.11 0.02 -0.04 0.00 3.82 0.00 0.00 57.97 61.88 1mk8 h PHE 259 Cb -0.01 -0.15 -0.01 0.00 2.00 0.00 0.00 35.95 37.77 1mk8 h PHE 259 CO -0.05 0.26 0.08 0.87 -0.18 0.00 0.00 178.31 179.29 1mk8 h LYS 260 N 0.53 0.59 -0.38 1.51 1.57 -0.93 -1.45 116.57 118.01 1mk8 h LYS 260 Ca 0.20 -0.15 -0.14 0.00 -1.87 0.00 0.00 60.65 58.70 1mk8 h LYS 260 Cb 0.07 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1mk8 h LYS 260 CO -0.12 0.64 -0.31 -0.44 -0.57 0.00 0.00 179.45 178.66 1mk8 h ASP 261 N 0.44 0.88 -0.48 0.86 5.19 -0.90 -2.63 116.42 119.78 1mk8 h ASP 261 Ca 0.11 -0.36 -0.06 0.00 -0.62 0.00 0.00 57.03 56.11 1mk8 h ASP 261 Cb 0.33 -0.24 -0.02 0.00 0.18 0.00 0.00 39.33 39.57 1mk8 h ASP 261 CO 0.00 1.11 0.08 0.15 -3.12 0.00 0.00 179.24 177.47 1mk8 h PHE 262 N 0.71 0.84 -0.48 4.55 3.57 -0.57 -1.55 116.94 124.02 1mk8 h PHE 262 Ca 0.08 -0.12 0.05 0.00 3.53 0.00 0.00 57.97 61.52 1mk8 h PHE 262 Cb 0.86 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 39.32 1mk8 h PHE 262 CO 0.05 0.78 0.20 1.03 -2.23 0.00 0.00 178.31 178.14 1mk8 h SER 263 N 0.66 0.25 -0.18 0.41 0.87 -1.16 0.20 113.55 114.61 1mk8 h SER 263 Ca 0.15 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.73 1mk8 h SER 263 Cb 0.38 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.34 1mk8 h SER 263 CO 0.01 0.18 0.04 0.11 -0.53 0.00 0.00 176.83 176.64 1mk8 h LYS 264 N 0.40 0.30 -0.57 2.24 1.57 -1.33 -1.92 116.57 117.26 1mk8 h LYS 264 Ca 0.22 -0.08 -0.08 0.00 -1.87 0.00 0.00 60.65 58.85 1mk8 h LYS 264 Cb 0.18 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 1mk8 h LYS 264 CO -0.19 0.45 0.06 0.00 -0.57 0.00 0.00 179.45 179.19 1mk8 h ALA 265 N 0.84 1.01 -0.35 3.86 0.00 -0.99 -1.12 119.26 122.50 1mk8 h ALA 265 Ca 0.06 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.57 1mk8 h ALA 265 Cb 0.29 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1mk8 h ALA 265 CO 0.00 0.62 -0.28 0.35 0.00 0.00 0.00 179.25 179.94 1mk8 h PHE 266 N 0.89 0.96 -0.59 0.00 -0.00 -0.58 -0.12 116.94 117.50 1mk8 h PHE 266 Ca 0.17 -0.27 -0.06 0.00 -0.00 0.00 0.00 57.97 57.81 1mk8 h PHE 266 Cb 0.44 -0.21 -0.02 0.00 -0.00 0.00 0.00 35.95 36.16 1mk8 h PHE 266 CO 0.03 1.05 0.12 1.49 -0.00 0.00 0.00 178.31 181.00 1mk8 h GLU 267 N 0.60 0.95 -0.41 1.11 4.81 -1.22 -1.52 114.58 118.91 1mk8 h GLU 267 Ca 0.06 -0.24 0.01 0.00 -0.13 0.00 0.00 59.36 59.06 1mk8 h GLU 267 Cb 0.86 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 1mk8 h GLU 267 CO 0.07 0.89 0.26 -0.22 -0.73 0.00 0.00 179.01 179.28 1mk8 h LYS 268 N 0.86 0.52 -0.38 1.92 3.64 -1.02 -0.74 116.57 121.36 1mk8 h LYS 268 Ca 0.18 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.57 1mk8 h LYS 268 Cb 0.38 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.04 1mk8 h LYS 268 CO 0.01 0.34 0.13 1.25 -2.27 0.00 0.00 179.45 178.91 1mk8 h LEU 269 N 0.53 0.14 -0.48 5.20 5.85 -0.76 0.37 115.31 126.16 1mk8 h LEU 269 Ca 0.15 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.91 1mk8 h LEU 269 Cb -0.04 0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.01 1mk8 h LEU 269 CO -0.04 0.12 0.00 0.18 -0.34 0.00 0.00 178.44 178.35 1mk8 n LEU 270 N -5.01 0.52 -0.21 2.25 4.32 -0.59 -3.11 117.00 115.17 1mk8 n LEU 270 Ca 0.02 0.62 0.05 0.00 -0.02 0.00 0.00 56.01 56.68 1mk8 n LEU 270 Cb 0.14 -0.54 -0.01 0.00 -1.62 0.00 0.00 43.42 41.39 1mk8 n LEU 270 CO 0.27 -0.45 0.19 -0.62 -1.22 0.00 0.00 177.39 175.55 1mk8 n GLU 271 N -2.06 2.25 -1.66 3.23 1.02 -0.32 -4.72 120.64 118.37 1mk8 n GLU 271 Ca 0.03 -0.55 -0.45 0.00 -0.02 0.00 0.00 57.16 56.17 1mk8 n GLU 271 Cb 0.23 -1.08 -0.03 0.00 -0.02 0.00 0.00 31.44 30.55 1mk8 n GLU 271 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1mk8 n ASN 272 N -0.36 2.49 0.00 1.62 3.02 0.02 -1.86 115.26 120.18 1mk8 n ASN 272 Ca 0.04 1.15 0.00 0.00 -0.03 0.00 0.00 54.58 55.74 1mk8 n ASN 272 Cb 0.21 -1.40 0.00 0.00 -0.61 0.00 0.00 39.78 37.98 1mk8 n ASN 272 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1mk8 n GLY 273 N 1.92 1.76 3.75 7.41 0.00 -1.26 -4.46 105.19 114.32 1mk8 n GLY 273 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1mk8 n GLY 273 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1mk8 s ILE 274 N -2.53 5.37 -0.30 -0.61 1.01 -0.78 -4.18 121.20 119.18 1mk8 s ILE 274 Ca 0.00 0.17 -0.11 0.00 0.00 0.00 0.00 60.65 60.71 1mk8 s ILE 274 Cb 0.00 -3.42 -0.03 0.00 0.01 0.00 0.00 42.46 39.01 1mk8 s ILE 274 CO 0.00 0.48 0.20 -0.89 0.00 0.00 0.00 174.94 174.73 1mk8 s THR 275 N 0.05 5.18 -0.27 2.92 2.01 0.49 -4.97 115.64 121.05 1mk8 s THR 275 Ca 0.09 -0.02 -0.13 0.00 0.31 0.00 0.00 61.69 61.94 1mk8 s THR 275 Cb -0.11 -3.54 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 1mk8 s THR 275 CO -0.01 0.16 0.28 -0.36 -0.69 0.00 0.00 174.62 174.01 1mk8 s PHE 276 N 1.73 3.24 0.65 4.92 0.08 -1.26 -0.98 117.98 126.35 1mk8 s PHE 276 Ca 0.06 0.28 -0.17 0.00 0.12 0.00 0.00 56.93 57.22 1mk8 s PHE 276 Cb -0.16 -2.47 -0.04 0.00 -0.57 0.00 0.00 43.02 39.77 1mk8 s PHE 276 CO 0.10 -0.18 0.76 -2.30 -0.10 0.00 0.00 175.22 173.50 1mk8 n PRO 277 N 5.15 0.59 -0.21 0.24 -0.02 -1.26 -4.86 135.00 134.63 1mk8 n PRO 277 Ca -0.11 0.24 0.12 0.00 -2.02 0.00 0.00 63.50 61.73 1mk8 n PRO 277 Cb 0.51 -1.99 0.43 0.00 -0.02 0.00 0.00 33.50 32.43 1mk8 n PRO 277 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 1mk8 h LYS 278 N 0.07 0.56 -0.65 -0.52 3.11 -2.01 -0.98 116.57 116.15 1mk8 h LYS 278 Ca -0.47 -0.03 -0.08 0.00 -2.81 0.00 0.00 60.65 57.25 1mk8 h LYS 278 Cb 1.36 -0.13 -0.05 0.00 -1.00 0.00 0.00 32.23 32.42 1mk8 h LYS 278 CO 0.47 0.37 0.10 -0.40 -2.81 0.00 0.00 179.45 177.19 1mk8 n ASP 279 N -4.51 5.43 -4.79 4.20 3.85 -1.26 -4.97 116.55 114.49 1mk8 n ASP 279 Ca 0.15 -3.04 -0.32 0.00 -0.71 0.00 0.00 54.79 50.87 1mk8 n ASP 279 Cb 0.45 -0.71 0.04 0.00 -1.35 0.00 0.00 41.12 39.55 1mk8 n ASP 279 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1mk8 s ALA 280 N -2.85 2.60 0.77 2.12 0.00 -0.38 -4.99 121.76 119.05 1mk8 s ALA 280 Ca 0.55 0.36 -0.14 0.00 0.00 0.00 0.00 51.96 52.73 1mk8 s ALA 280 Cb 0.43 -3.25 0.06 0.00 0.00 0.00 0.00 23.12 20.36 1mk8 s ALA 280 CO 0.15 -1.12 1.18 -2.14 0.00 0.00 0.00 175.76 173.83 1mk8 s PRO 281 N -4.37 1.91 0.82 0.00 0.02 -1.26 -4.98 135.00 127.15 1mk8 s PRO 281 Ca 0.63 1.66 -0.11 0.00 0.02 0.00 0.00 61.00 63.20 1mk8 s PRO 281 Cb -0.17 -1.82 0.09 0.00 0.02 0.00 0.00 34.50 32.62 1mk8 s PRO 281 CO 0.44 -1.98 1.09 -1.12 -0.33 0.00 0.00 177.00 175.09 1mk8 s SER 282 N -2.29 4.11 0.49 2.53 0.01 -1.26 -4.95 113.70 112.34 1mk8 s SER 282 Ca 0.71 1.64 -0.24 0.00 1.31 0.00 0.00 55.95 59.37 1mk8 s SER 282 Cb -0.27 -2.34 -0.07 0.00 0.21 0.00 0.00 66.02 63.56 1mk8 s SER 282 CO 0.49 -2.26 1.38 -2.84 0.41 0.00 0.00 173.24 170.42 1mk8 s PRO 283 N -4.94 3.49 0.05 12.44 0.02 -1.26 -4.93 135.00 139.87 1mk8 s PRO 283 Ca 0.62 2.30 -0.16 0.00 0.02 0.00 0.00 61.00 63.78 1mk8 s PRO 283 Cb -0.17 -2.50 -0.06 0.00 0.02 0.00 0.00 34.50 31.79 1mk8 s PRO 283 CO 0.56 -0.93 0.49 -0.06 -0.33 0.00 0.00 177.00 176.73 1mk8 s PHE 284 N -1.26 3.74 -0.31 6.54 2.99 0.87 -4.79 117.98 125.77 1mk8 s PHE 284 Ca 0.65 1.11 0.04 0.00 0.00 0.00 0.00 56.93 58.72 1mk8 s PHE 284 Cb -0.41 -2.38 0.08 0.00 0.00 0.00 0.00 43.02 40.31 1mk8 s PHE 284 CO 0.51 0.60 -0.02 0.42 -0.00 0.00 0.00 175.22 176.73 1mk8 s ILE 285 N -1.15 2.21 0.35 0.64 1.01 -1.26 -0.79 121.20 122.22 1mk8 s ILE 285 Ca 0.28 -2.04 -0.25 0.00 0.00 0.00 0.00 60.65 58.63 1mk8 s ILE 285 Cb -0.18 -2.50 -0.10 0.00 0.01 0.00 0.00 42.46 39.70 1mk8 s ILE 285 CO 0.16 -0.36 0.99 -0.36 0.00 0.00 0.00 174.94 175.37 1mk8 s PHE 286 N 0.99 3.53 0.22 3.97 0.08 -1.26 -5.04 117.98 120.47 1mk8 s PHE 286 Ca 0.03 1.72 -0.24 0.00 0.12 0.00 0.00 56.93 58.56 1mk8 s PHE 286 Cb -0.19 -3.01 -0.09 0.00 -0.57 0.00 0.00 43.02 39.17 1mk8 s PHE 286 CO -0.07 -0.12 0.81 0.15 -0.10 0.00 0.00 175.22 175.89 1mk8 s LYS 287 N -2.22 4.52 0.83 0.44 1.02 -1.26 -4.99 119.74 118.08 1mk8 s LYS 287 Ca 0.53 1.15 -0.12 0.00 0.02 0.00 0.00 55.97 57.55 1mk8 s LYS 287 Cb -0.20 -3.07 0.09 0.00 -0.52 0.00 0.00 37.83 34.13 1mk8 s LYS 287 CO 0.25 0.46 1.12 0.95 -0.92 0.00 0.00 175.35 177.21 1mk8 s THR 288 N -1.35 2.65 0.24 2.17 -4.23 -1.26 -4.88 115.64 108.98 1mk8 s THR 288 Ca 0.41 0.21 -0.07 0.00 -1.18 0.00 0.00 61.69 61.06 1mk8 s THR 288 Cb -0.21 -3.00 0.22 0.00 1.34 0.00 0.00 72.50 70.85 1mk8 s THR 288 CO 0.25 -0.28 1.90 -0.07 -0.54 0.00 0.00 174.62 175.88 1mk8 h LEU 289 N -1.18 1.09 -0.58 4.79 3.38 -1.97 -2.13 115.31 118.71 1mk8 h LEU 289 Ca -0.48 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.46 1mk8 h LEU 289 Cb 1.29 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.74 1mk8 h LEU 289 CO 0.61 0.81 0.36 -0.08 0.09 0.00 0.00 178.44 180.23 1mk8 h GLU 290 N 1.27 0.70 0.00 1.13 4.81 -1.93 -0.25 114.58 120.31 1mk8 h GLU 290 Ca 0.34 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.48 1mk8 h GLU 290 Cb -0.10 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.12 1mk8 h GLU 290 CO -0.07 0.46 -0.19 0.93 -0.73 0.00 0.00 179.01 179.41 1mk8 h GLU 291 N 0.72 0.00 -0.00 1.92 5.08 -1.78 -2.24 114.58 118.28 1mk8 h GLU 291 Ca 0.23 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.59 1mk8 h GLU 291 Cb -0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.24 1mk8 h GLU 291 CO -0.08 0.19 -0.33 1.04 -1.00 0.00 0.00 179.01 178.83 1mk8 n GLN 292 N -4.07 0.55 -1.61 2.33 6.02 -0.71 -4.93 117.38 114.96 1mk8 n GLN 292 Ca -0.02 -0.31 -0.06 0.00 -0.01 0.00 0.00 57.00 56.59 1mk8 n GLN 292 Cb 0.27 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 30.02 1mk8 n GLN 292 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1mk8 n GLY 293 N 1.39 0.52 0.72 1.08 0.00 -0.40 -5.08 105.19 103.42 1mk8 n GLY 293 Ca 0.10 -0.71 0.09 0.00 0.00 0.00 0.00 46.02 45.50 1mk8 n GLY 293 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36