#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qb8 s PHE 3 N 0.00 3.59 -0.10 0.54 0.40 -1.26 -1.15 117.98 120.00 1qb8 s PHE 3 Ca 0.00 1.38 -0.02 0.00 -0.60 0.00 0.00 56.93 57.69 1qb8 s PHE 3 Cb 0.00 -2.91 -0.03 0.00 0.51 0.00 0.00 43.02 40.59 1qb8 s PHE 3 CO 0.00 0.03 -0.01 0.15 0.70 0.00 0.00 175.22 176.09 1qb8 s LYS 4 N 0.97 3.13 -0.44 0.44 1.02 0.06 -4.84 119.74 120.08 1qb8 s LYS 4 Ca 0.42 -0.44 -0.29 0.00 0.02 0.00 0.00 55.97 55.68 1qb8 s LYS 4 Cb -0.19 -2.81 0.01 0.00 -0.52 0.00 0.00 37.83 34.32 1qb8 s LYS 4 CO 0.21 0.59 1.37 -2.00 -0.92 0.00 0.00 175.35 174.60 1qb8 s GLU 5 N -0.58 3.56 0.22 1.68 2.12 -1.26 -0.95 118.70 123.50 1qb8 s GLU 5 Ca 0.09 0.83 0.20 0.00 0.36 0.00 0.00 54.97 56.45 1qb8 s GLU 5 Cb -0.12 -4.02 0.04 0.00 0.26 0.00 0.00 34.13 30.29 1qb8 s GLU 5 CO 0.02 -1.58 1.15 -0.39 -0.54 0.00 0.00 175.26 173.92 1qb8 h VAL 6 N 6.43 0.23 -2.59 3.70 -1.51 -1.58 -3.48 116.25 117.46 1qb8 h VAL 6 Ca -0.27 -1.40 0.09 0.00 -1.23 0.00 0.00 66.70 63.90 1qb8 h VAL 6 Cb 1.10 1.84 -0.10 0.00 -2.13 0.00 0.00 31.29 32.00 1qb8 h VAL 6 CO 1.10 0.13 0.38 -0.94 -1.23 0.00 0.00 177.57 177.01 1qb8 s SER 7 N -5.77 -0.33 -0.30 4.19 1.04 -1.19 -5.06 113.70 106.28 1qb8 s SER 7 Ca 0.01 -0.24 -0.41 0.00 0.48 0.00 0.00 55.95 55.79 1qb8 s SER 7 Cb 0.08 0.53 -0.17 0.00 0.10 0.00 0.00 66.02 66.56 1qb8 s SER 7 CO 0.77 -0.92 1.69 -2.65 0.98 0.00 0.00 173.24 173.11 1qb8 n PRO 8 N -0.38 0.91 -2.23 4.02 -0.02 -1.26 -1.36 135.00 134.67 1qb8 n PRO 8 Ca -0.09 0.33 -0.17 0.00 -2.02 0.00 0.00 63.50 61.55 1qb8 n PRO 8 Cb 0.62 -1.97 -0.02 0.00 -0.02 0.00 0.00 33.50 32.10 1qb8 n PRO 8 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1qb8 n ASN 9 N 4.92 -5.01 -3.77 2.55 5.03 -1.26 -4.93 115.26 112.80 1qb8 n ASN 9 Ca 0.27 0.14 -0.26 0.00 0.87 0.00 0.00 54.58 55.60 1qb8 n ASN 9 Cb 0.09 -4.25 -0.17 0.00 -1.02 0.00 0.00 39.78 34.43 1qb8 n ASN 9 CO 0.00 0.00 0.00 -0.55 -1.83 0.00 0.00 177.26 174.88 1qb8 s SER 10 N -2.13 2.56 0.05 6.41 0.15 -0.46 -0.62 113.70 119.65 1qb8 s SER 10 Ca 0.00 -0.61 0.06 0.00 0.70 0.00 0.00 55.95 56.11 1qb8 s SER 10 Cb 0.00 -0.61 -0.03 0.00 -1.71 0.00 0.00 66.02 63.67 1qb8 s SER 10 CO 0.00 -0.26 -0.14 -0.36 1.20 0.00 0.00 173.24 173.68 1qb8 s PHE 11 N 1.85 2.67 -0.04 3.44 0.40 0.11 -1.34 117.98 125.06 1qb8 s PHE 11 Ca 0.01 -0.19 0.03 0.00 -0.60 0.00 0.00 56.93 56.18 1qb8 s PHE 11 Cb -0.16 -1.48 0.00 0.00 0.51 0.00 0.00 43.02 41.90 1qb8 s PHE 11 CO -0.07 0.33 -0.14 -1.17 0.70 0.00 0.00 175.22 174.87 1qb8 s LEU 12 N -1.66 1.83 0.27 -0.37 2.96 -0.12 -1.34 118.68 120.24 1qb8 s LEU 12 Ca 0.17 -0.30 -0.30 0.00 -0.22 0.00 0.00 54.13 53.48 1qb8 s LEU 12 Cb -0.11 -0.84 -0.11 0.00 0.50 0.00 0.00 46.19 45.64 1qb8 s LEU 12 CO 0.08 0.10 1.53 -0.22 -1.32 0.00 0.00 176.35 176.52 1qb8 s LEU 13 N 0.22 4.36 0.28 -0.68 2.96 -0.95 -0.76 118.68 124.12 1qb8 s LEU 13 Ca -0.06 2.82 -0.30 0.00 -0.22 0.00 0.00 54.13 56.37 1qb8 s LEU 13 Cb -0.12 -3.63 -0.12 0.00 0.50 0.00 0.00 46.19 42.83 1qb8 s LEU 13 CO 0.02 -0.82 1.58 -0.67 -1.32 0.00 0.00 176.35 175.14 1qb8 n ASP 14 N 2.30 3.75 0.00 3.68 2.03 -0.30 -4.87 116.55 123.15 1qb8 n ASP 14 Ca 0.08 1.14 0.04 0.00 0.52 0.00 0.00 54.79 56.57 1qb8 n ASP 14 Cb 0.39 -1.58 0.19 0.00 -0.72 0.00 0.00 41.12 39.40 1qb8 n ASP 14 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 1qb8 n ASP 15 N 2.25 0.00 0.15 1.67 5.68 -1.26 -2.16 116.55 122.87 1qb8 n ASP 15 Ca 0.09 0.10 0.10 0.00 -0.50 0.00 0.00 54.79 54.58 1qb8 n ASP 15 Cb 0.36 -0.23 0.06 0.00 -1.14 0.00 0.00 41.12 40.18 1qb8 n ASP 15 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1qb8 h SER 16 N 0.00 0.00 -3.82 -1.12 4.64 -1.98 -3.39 113.55 107.88 1qb8 h SER 16 Ca 0.00 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.77 1qb8 h SER 16 Cb 0.05 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 62.26 1qb8 h SER 16 CO 0.00 0.08 0.69 1.57 -0.87 0.00 0.00 176.83 178.30 1qb8 n HIS 17 N -2.90 2.72 -0.26 4.77 -0.00 -0.92 -4.85 115.22 113.78 1qb8 n HIS 17 Ca 0.01 0.46 0.11 0.00 0.46 0.00 0.00 57.72 58.77 1qb8 n HIS 17 Cb 0.58 -2.48 0.38 0.00 -0.12 0.00 0.00 29.99 28.34 1qb8 n HIS 17 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1qb8 h ALA 18 N 2.60 1.82 -0.45 1.57 0.00 -1.91 -1.98 119.26 120.92 1qb8 h ALA 18 Ca -0.50 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 1qb8 h ALA 18 Cb 1.26 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 1qb8 h ALA 18 CO 0.62 -0.05 0.10 1.25 0.00 0.00 0.00 179.25 181.17 1qb8 h LEU 19 N 0.70 0.69 -0.79 0.00 5.85 -1.94 -1.03 115.31 118.79 1qb8 h LEU 19 Ca 0.43 -0.24 -0.06 0.00 0.84 0.00 0.00 57.88 58.86 1qb8 h LEU 19 Cb 0.68 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 1qb8 h LEU 19 CO -0.19 0.76 0.25 -1.28 -0.34 0.00 0.00 178.44 177.63 1qb8 h SER 20 N 0.60 1.08 -0.11 1.25 0.87 -1.64 -1.39 113.55 114.21 1qb8 h SER 20 Ca 0.14 -0.19 -0.01 0.00 -1.23 0.00 0.00 61.79 60.50 1qb8 h SER 20 Cb 0.34 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 62.01 1qb8 h SER 20 CO 0.00 0.99 0.04 1.56 -0.53 0.00 0.00 176.83 178.89 1qb8 h GLN 21 N 1.11 0.17 -0.85 2.24 1.08 -1.20 -1.59 115.11 116.07 1qb8 h GLN 21 Ca 0.24 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.40 1qb8 h GLN 21 Cb 0.29 -0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.65 1qb8 h GLN 21 CO -0.01 0.30 0.50 1.25 -0.95 0.00 0.00 178.83 179.92 1qb8 h LEU 22 N 0.01 1.04 -0.73 1.46 5.85 -1.04 -0.56 115.31 121.33 1qb8 h LEU 22 Ca 0.04 -0.08 -0.12 0.00 0.84 0.00 0.00 57.88 58.56 1qb8 h LEU 22 Cb 0.20 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 1qb8 h LEU 22 CO -0.00 0.82 -0.30 -0.07 -0.34 0.00 0.00 178.44 178.55 1qb8 h LEU 23 N 1.18 0.66 -0.81 2.25 3.38 -1.15 0.98 115.31 121.79 1qb8 h LEU 23 Ca 0.30 -0.25 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1qb8 h LEU 23 Cb -0.02 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1qb8 h LEU 23 CO -0.05 0.92 -0.20 0.50 0.09 0.00 0.00 178.44 179.69 1qb8 h LYS 24 N 0.55 0.67 -0.01 1.13 3.64 -0.77 -0.77 116.57 121.02 1qb8 h LYS 24 Ca 0.07 -0.25 -0.18 0.00 -1.27 0.00 0.00 60.65 59.02 1qb8 h LYS 24 Cb 0.79 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.58 1qb8 h LYS 24 CO 0.06 0.83 -0.70 -0.22 -2.27 0.00 0.00 179.45 177.15 1qb8 h LYS 25 N 0.60 0.49 0.09 1.90 3.64 -0.84 -3.37 116.57 119.07 1qb8 h LYS 25 Ca 0.09 -0.51 -0.26 0.00 -1.27 0.00 0.00 60.65 58.70 1qb8 h LYS 25 Cb 0.67 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.64 1qb8 h LYS 25 CO 0.05 1.16 -1.15 0.77 -2.27 0.00 0.00 179.45 178.01 1qb8 h SER 26 N 0.02 0.44 -3.61 4.20 0.02 -0.76 -3.47 113.55 110.39 1qb8 h SER 26 Ca -0.09 -0.43 -0.55 0.00 -0.84 0.00 0.00 61.79 59.88 1qb8 h SER 26 Cb 1.40 -0.14 0.10 0.00 0.14 0.00 0.00 62.40 63.90 1qb8 h SER 26 CO 0.14 1.30 0.72 -1.22 -1.14 0.00 0.00 176.83 176.63 1qb8 n TYR 27 N -3.59 2.76 -4.42 3.45 0.53 -0.30 -4.67 117.16 110.93 1qb8 n TYR 27 Ca -0.08 0.44 -0.22 0.00 -1.02 0.00 0.00 57.90 57.03 1qb8 n TYR 27 Cb 0.96 -2.51 -0.16 0.00 -1.03 0.00 0.00 39.34 36.60 1qb8 n TYR 27 CO 0.00 0.00 0.00 1.03 -1.02 0.00 0.00 176.86 176.87 1qb8 s ARG 28 N -1.72 1.16 0.23 -0.72 1.81 -1.26 -4.66 118.95 113.79 1qb8 s ARG 28 Ca 0.56 -0.30 0.11 0.00 -1.72 0.00 0.00 55.73 54.37 1qb8 s ARG 28 Cb -0.51 -1.04 -0.05 0.00 -0.45 0.00 0.00 34.95 32.90 1qb8 s ARG 28 CO 0.60 0.06 -0.16 1.67 -0.68 0.00 0.00 175.30 176.79 1qb8 s TRP 29 N 0.45 2.43 0.02 -0.53 1.48 0.72 -1.73 118.94 121.78 1qb8 s TRP 29 Ca -0.08 -0.30 0.03 0.00 -1.06 0.00 0.00 56.10 54.69 1qb8 s TRP 29 Cb -0.12 -1.13 -0.02 0.00 -1.16 0.00 0.00 33.47 31.05 1qb8 s TRP 29 CO 0.01 0.60 -0.10 0.71 -4.06 0.00 0.00 176.95 174.11 1qb8 s TYR 30 N -2.07 0.89 0.71 1.66 2.02 0.00 -0.30 117.35 120.26 1qb8 s TYR 30 Ca 0.26 -0.29 -0.08 0.00 -0.37 0.00 0.00 57.07 56.59 1qb8 s TYR 30 Cb -0.07 -0.54 0.05 0.00 -0.40 0.00 0.00 41.96 41.00 1qb8 s TYR 30 CO 0.14 -0.01 1.05 -1.54 -1.57 0.00 0.00 175.55 173.62 1qb8 s SER 31 N -0.82 4.97 0.30 2.29 1.04 -1.26 -0.26 113.70 119.97 1qb8 s SER 31 Ca -0.00 0.68 0.04 0.00 0.48 0.00 0.00 55.95 57.15 1qb8 s SER 31 Cb -0.06 -1.37 0.79 0.00 0.10 0.00 0.00 66.02 65.48 1qb8 s SER 31 CO 0.00 -1.54 1.62 -0.65 0.98 0.00 0.00 173.24 173.65 1qb8 h PRO 32 N -0.64 0.13 0.00 4.02 0.11 -1.79 0.06 132.00 133.88 1qb8 h PRO 32 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1qb8 h PRO 32 Cb 1.30 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1qb8 h PRO 32 CO 0.62 0.08 0.00 1.33 -0.21 0.00 0.00 178.00 179.83 1qb8 n VAL 33 N -5.30 0.64 -0.76 3.15 0.24 -1.26 -2.63 118.33 112.42 1qb8 n VAL 33 Ca 0.24 0.16 0.05 0.00 -2.04 0.00 0.00 64.34 62.75 1qb8 n VAL 33 Cb 0.77 -0.87 0.07 0.00 -1.47 0.00 0.00 33.84 32.34 1qb8 n VAL 33 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 1qb8 n PHE 34 N -1.39 0.00 -4.18 6.34 3.01 -0.04 -4.76 117.46 116.44 1qb8 n PHE 34 Ca 0.06 -0.70 -0.13 0.00 1.01 0.00 0.00 57.45 57.69 1qb8 n PHE 34 Cb 0.17 -0.10 -0.09 0.00 -0.01 0.00 0.00 39.48 39.45 1qb8 n PHE 34 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1qb8 s SER 35 N -1.93 0.41 0.00 4.37 1.04 -0.93 -4.76 113.70 111.90 1qb8 s SER 35 Ca 0.17 -1.40 0.25 0.00 0.48 0.00 0.00 55.95 55.45 1qb8 s SER 35 Cb 0.15 0.45 0.59 0.00 0.10 0.00 0.00 66.02 67.31 1qb8 s SER 35 CO 0.02 -0.94 1.48 -0.81 0.98 0.00 0.00 173.24 173.97 1qb8 n PRO 36 N -0.36 2.04 -4.29 4.02 -0.04 -1.26 -4.87 135.00 130.24 1qb8 n PRO 36 Ca 0.02 -1.52 -0.20 0.00 -0.04 0.00 0.00 63.50 61.77 1qb8 n PRO 36 Cb 0.65 -1.47 -0.11 0.00 -0.04 0.00 0.00 33.50 32.53 1qb8 n PRO 36 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 1qb8 s ARG 37 N -1.94 1.16 -1.11 0.54 3.52 -1.26 -5.08 118.95 114.78 1qb8 s ARG 37 Ca 0.33 -1.34 -0.05 0.00 -0.13 0.00 0.00 55.73 54.54 1qb8 s ARG 37 Cb 0.20 -1.14 0.29 0.00 -1.56 0.00 0.00 34.95 32.75 1qb8 s ARG 37 CO 0.31 0.23 1.51 -1.71 -0.81 0.00 0.00 175.30 174.82 1qb8 n ASN 38 N 0.39 6.21 -4.25 -2.12 4.05 -1.26 -4.53 115.26 113.75 1qb8 n ASN 38 Ca -0.14 -3.35 -0.17 0.00 0.45 0.00 0.00 54.58 51.36 1qb8 n ASN 38 Cb 0.57 -1.31 -0.11 0.00 1.23 0.00 0.00 39.78 40.17 1qb8 n ASN 38 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 177.26 174.89 1qb8 s VAL 39 N -2.29 1.34 0.24 3.44 -7.23 -1.26 -5.06 120.40 109.58 1qb8 s VAL 39 Ca 0.32 -1.81 -0.05 0.00 -1.81 0.00 0.00 61.98 58.63 1qb8 s VAL 39 Cb 0.04 -1.62 0.21 0.00 0.56 0.00 0.00 36.38 35.58 1qb8 s VAL 39 CO 0.08 -0.48 1.85 -0.65 -0.31 0.00 0.00 175.10 175.59 1qb8 h PRO 40 N 3.33 0.93 -3.21 4.82 0.11 -1.92 -3.36 132.00 132.70 1qb8 h PRO 40 Ca -0.39 -0.06 -0.49 0.00 0.11 0.00 0.00 66.00 65.18 1qb8 h PRO 40 Cb 1.20 -0.21 -0.41 0.00 0.11 0.00 0.00 31.00 31.69 1qb8 h PRO 40 CO 0.53 0.61 -0.76 1.03 -0.21 0.00 0.00 178.00 179.21 1qb8 s ARG 41 N -6.06 0.28 -0.35 1.05 0.52 -1.26 -4.21 118.95 108.91 1qb8 s ARG 41 Ca -0.13 -0.25 -0.21 0.00 -0.52 0.00 0.00 55.73 54.62 1qb8 s ARG 41 Cb 0.18 -1.88 0.00 0.00 0.52 0.00 0.00 34.95 33.78 1qb8 s ARG 41 CO 0.79 -0.70 0.68 0.12 0.02 0.00 0.00 175.30 176.21 1qb8 s PHE 42 N 2.03 3.14 -0.43 -0.53 5.36 0.64 -4.81 117.98 123.38 1qb8 s PHE 42 Ca 0.02 0.43 -0.29 0.00 -0.96 0.00 0.00 56.93 56.13 1qb8 s PHE 42 Cb -0.16 -3.21 0.02 0.00 -0.34 0.00 0.00 43.02 39.33 1qb8 s PHE 42 CO -0.11 -0.65 1.21 0.00 -1.46 0.00 0.00 175.22 174.21 1qb8 s ALA 43 N 2.82 3.18 -0.35 11.12 0.00 -1.26 -0.82 121.76 136.44 1qb8 s ALA 43 Ca 0.27 -0.31 -0.29 0.00 0.00 0.00 0.00 51.96 51.62 1qb8 s ALA 43 Cb -0.14 -3.88 0.02 0.00 0.00 0.00 0.00 23.12 19.12 1qb8 s ALA 43 CO 0.15 -2.18 1.12 0.34 0.00 0.00 0.00 175.76 175.19 1qb8 s ASP 44 N 2.75 6.83 0.54 0.00 2.15 -0.70 -4.92 116.67 123.32 1qb8 s ASP 44 Ca 0.51 0.93 0.29 0.00 0.43 0.00 0.00 52.55 54.71 1qb8 s ASP 44 Cb -0.10 -2.54 1.53 0.00 -0.30 0.00 0.00 42.92 41.50 1qb8 s ASP 44 CO 0.30 -0.99 2.10 1.62 -0.17 0.00 0.00 175.17 178.02 1qb8 h VAL 45 N 5.88 0.52 -0.13 1.11 3.04 -1.94 -2.06 116.25 122.67 1qb8 h VAL 45 Ca -0.22 -0.45 -0.04 0.00 -1.01 0.00 0.00 66.70 64.98 1qb8 h VAL 45 Cb 1.06 1.30 -0.01 0.00 -2.01 0.00 0.00 31.29 31.63 1qb8 h VAL 45 CO 1.06 0.09 -0.11 0.28 -1.01 0.00 0.00 177.57 177.88 1qb8 h SER 46 N 0.00 0.18 0.30 3.17 0.02 -1.96 -1.02 113.55 114.24 1qb8 h SER 46 Ca -0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 1qb8 h SER 46 Cb 0.29 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.78 1qb8 h SER 46 CO 0.01 0.32 0.00 0.77 -1.14 0.00 0.00 176.83 176.80 1qb8 h SER 47 N 0.19 0.00 0.01 3.07 4.64 -1.69 -0.90 113.55 118.87 1qb8 h SER 47 Ca 0.04 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.96 1qb8 h SER 47 Cb 0.33 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.36 1qb8 h SER 47 CO 0.02 0.00 -2.27 -0.38 -0.87 0.00 0.00 176.83 173.33 1qb8 n ILE 48 N -2.77 1.54 0.21 0.95 2.08 -0.48 -4.20 119.36 116.68 1qb8 n ILE 48 Ca -0.01 -0.39 0.06 0.00 0.56 0.00 0.00 62.75 62.97 1qb8 n ILE 48 Cb 0.13 -1.79 0.45 0.00 -0.75 0.00 0.00 39.64 37.68 1qb8 n ILE 48 CO 0.00 0.00 0.00 0.71 0.56 0.00 0.00 176.55 177.82 1qb8 h THR 49 N -0.68 0.98 -0.00 1.39 1.35 -1.17 -2.06 112.91 112.71 1qb8 h THR 49 Ca -0.59 -1.13 0.00 0.00 -0.55 0.00 0.00 66.41 64.14 1qb8 h THR 49 Cb 1.66 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 69.74 1qb8 h THR 49 CO -0.27 0.30 -0.02 -0.62 -0.25 0.00 0.00 175.52 174.65 1qb8 n GLU 50 N -3.84 0.97 -3.54 4.72 1.02 -0.35 -4.52 120.64 115.10 1qb8 n GLU 50 Ca -0.01 -0.20 -0.41 0.00 -0.02 0.00 0.00 57.16 56.52 1qb8 n GLU 50 Cb 0.39 -1.50 -0.07 0.00 -0.02 0.00 0.00 31.44 30.23 1qb8 n GLU 50 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1qb8 s SER 51 N -2.17 5.81 0.21 1.62 0.15 -0.78 -4.97 113.70 113.58 1qb8 s SER 51 Ca 0.40 -2.23 -0.09 0.00 0.70 0.00 0.00 55.95 54.73 1qb8 s SER 51 Cb 0.21 -2.02 0.32 0.00 -1.71 0.00 0.00 66.02 62.82 1qb8 s SER 51 CO 0.40 -0.61 1.72 -0.65 1.20 0.00 0.00 173.24 175.29 1qb8 h PRO 52 N 8.07 0.33 -0.58 5.44 0.11 -1.82 0.11 132.00 143.66 1qb8 h PRO 52 Ca -0.12 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.96 1qb8 h PRO 52 Cb 1.04 -0.07 -0.03 0.00 0.11 0.00 0.00 31.00 32.05 1qb8 h PRO 52 CO 0.82 0.22 0.31 1.49 -0.21 0.00 0.00 178.00 180.62 1qb8 h GLU 53 N 0.34 0.81 -0.30 1.05 4.81 -1.93 -1.61 114.58 117.74 1qb8 h GLU 53 Ca 0.33 -0.10 -0.15 0.00 -0.13 0.00 0.00 59.36 59.31 1qb8 h GLU 53 Cb 0.47 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 1qb8 h GLU 53 CO -0.37 0.63 -0.40 1.15 -0.73 0.00 0.00 179.01 179.29 1qb8 h THR 54 N 0.78 1.29 -0.39 0.32 2.02 -1.69 -2.21 112.91 113.02 1qb8 h THR 54 Ca 0.20 -1.58 -0.01 0.00 0.77 0.00 0.00 66.41 65.79 1qb8 h THR 54 Cb 0.06 1.60 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 1qb8 h THR 54 CO -0.03 0.51 0.20 0.25 0.37 0.00 0.00 175.52 176.82 1qb8 h LEU 55 N 0.55 0.51 -1.00 2.58 5.85 -0.67 -2.31 115.31 120.82 1qb8 h LEU 55 Ca 0.03 -0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.58 1qb8 h LEU 55 Cb 0.99 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.87 1qb8 h LEU 55 CO 0.09 0.47 0.02 0.50 -0.34 0.00 0.00 178.44 179.19 1qb8 h LYS 56 N 0.50 0.74 -0.70 1.25 3.64 -1.31 -1.96 116.57 118.73 1qb8 h LYS 56 Ca 0.14 -0.18 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 1qb8 h LYS 56 Cb 0.09 -0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 1qb8 h LYS 56 CO -0.02 0.74 0.23 0.00 -2.27 0.00 0.00 179.45 178.13 1qb8 h ALA 57 N 1.32 1.08 -0.10 5.00 0.00 -1.11 0.11 119.26 125.56 1qb8 h ALA 57 Ca 0.14 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1qb8 h ALA 57 Cb 0.40 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1qb8 h ALA 57 CO 0.01 0.63 -0.00 0.82 0.00 0.00 0.00 179.25 180.72 1qb8 h ILE 58 N 1.04 1.25 -0.05 0.00 2.04 -1.17 -1.57 117.51 119.05 1qb8 h ILE 58 Ca 0.23 -0.80 0.01 0.00 1.00 0.00 0.00 64.86 65.30 1qb8 h ILE 58 Cb 0.28 1.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.93 1qb8 h ILE 58 CO -0.01 0.23 -0.04 -0.09 0.00 0.00 0.00 178.15 178.24 1qb8 h ARG 59 N -0.10 -0.05 -0.24 2.37 1.12 -1.11 -1.65 114.38 114.72 1qb8 h ARG 59 Ca 0.03 0.00 0.01 0.00 -1.11 0.00 0.00 59.98 58.91 1qb8 h ARG 59 Cb 0.35 0.01 -0.02 0.00 -0.01 0.00 0.00 29.97 30.31 1qb8 h ARG 59 CO 0.01 -0.03 0.14 -0.44 -3.11 0.00 0.00 179.97 176.53 1qb8 h ASP 60 N -0.05 0.23 0.32 -3.80 3.45 -0.77 -0.80 116.42 114.99 1qb8 h ASP 60 Ca 0.03 0.00 -0.02 0.00 0.43 0.00 0.00 57.03 57.48 1qb8 h ASP 60 Cb 0.10 -0.04 0.00 0.00 -0.56 0.00 0.00 39.33 38.83 1qb8 h ASP 60 CO -0.08 0.17 -0.15 0.15 -1.57 0.00 0.00 179.24 177.76 1qb8 h PHE 61 N 0.29 -0.40 -0.43 4.55 3.57 -1.14 -0.92 116.94 122.45 1qb8 h PHE 61 Ca 0.10 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.50 1qb8 h PHE 61 Cb -0.00 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 1qb8 h PHE 61 CO -0.08 -0.20 -0.08 -0.07 -2.23 0.00 0.00 178.31 175.65 1qb8 h LEU 62 N -0.51 0.74 -0.60 0.59 3.38 -1.31 -0.83 115.31 116.77 1qb8 h LEU 62 Ca -0.04 -0.21 -0.06 0.00 0.09 0.00 0.00 57.88 57.66 1qb8 h LEU 62 Cb 0.38 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 1qb8 h LEU 62 CO 0.07 0.86 0.14 0.58 0.09 0.00 0.00 178.44 180.18 1qb8 h VAL 63 N 0.69 1.25 -0.15 1.22 2.07 -1.07 -1.71 116.25 118.55 1qb8 h VAL 63 Ca 0.12 -0.91 -0.09 0.00 0.82 0.00 0.00 66.70 66.64 1qb8 h VAL 63 Cb 0.54 0.70 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1qb8 h VAL 63 CO 0.03 0.34 -0.33 1.56 0.02 0.00 0.00 177.57 179.19 1qb8 h GLN 64 N 0.87 0.30 0.17 1.57 4.20 -0.89 -1.93 115.11 119.39 1qb8 h GLN 64 Ca 0.19 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 1qb8 h GLN 64 Cb 0.35 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.12 1qb8 h GLN 64 CO 0.00 0.60 -0.08 -0.09 -0.67 0.00 0.00 178.83 178.59 1qb8 h ARG 65 N 0.26 -0.22 0.00 1.46 2.43 -0.79 -2.60 114.38 114.92 1qb8 h ARG 65 Ca 0.03 0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.16 1qb8 h ARG 65 Cb 0.71 0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.30 1qb8 h ARG 65 CO 0.05 0.03 -0.29 1.88 -1.51 0.00 0.00 179.97 180.13 1qb8 h TYR 66 N -0.45 0.00 0.00 2.20 0.05 -1.25 -2.12 116.97 115.40 1qb8 h TYR 66 Ca -0.02 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.62 1qb8 h TYR 66 Cb 0.35 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.07 1qb8 h TYR 66 CO 0.00 0.29 -0.63 0.00 -1.05 0.00 0.00 178.16 176.77 1qb8 h ARG 67 N 0.00 0.00 0.00 4.88 3.08 -1.35 -2.83 114.38 118.15 1qb8 h ARG 67 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1qb8 h ARG 67 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.97 1qb8 h ARG 67 CO 0.04 0.63 -0.50 0.00 -1.07 0.00 0.00 179.97 179.07 1qb8 n ALA 68 N -2.36 3.14 -1.85 0.04 0.00 -0.98 -4.91 120.51 113.58 1qb8 n ALA 68 Ca -0.00 -0.28 -0.40 0.00 0.00 0.00 0.00 53.44 52.76 1qb8 n ALA 68 Cb 0.66 -1.18 -0.05 0.00 0.00 0.00 0.00 19.45 18.88 1qb8 n ALA 68 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1qb8 s MET 69 N -3.07 4.78 -0.14 0.00 0.00 -0.82 -5.06 119.30 114.99 1qb8 s MET 69 Ca 0.09 1.56 -0.06 0.00 0.00 0.00 0.00 55.69 57.28 1qb8 s MET 69 Cb 0.16 -3.28 0.06 0.00 0.00 0.00 0.00 34.83 31.77 1qb8 s MET 69 CO 0.69 0.39 0.31 0.45 0.00 0.00 0.00 175.02 176.86 1qb8 s SER 70 N -0.87 -0.18 0.38 1.11 0.15 -1.26 -2.97 113.70 110.06 1qb8 s SER 70 Ca 0.43 0.68 -0.27 0.00 0.70 0.00 0.00 55.95 57.49 1qb8 s SER 70 Cb -0.27 0.66 -0.10 0.00 -1.71 0.00 0.00 66.02 64.61 1qb8 s SER 70 CO 0.33 -0.20 1.35 -2.16 1.20 0.00 0.00 173.24 173.77 1qb8 s PRO 71 N 1.71 4.11 0.49 5.44 0.04 -1.26 -5.13 135.00 140.40 1qb8 s PRO 71 Ca -0.06 2.29 -0.21 0.00 0.04 0.00 0.00 61.00 63.05 1qb8 s PRO 71 Cb -0.10 -2.90 -0.07 0.00 0.04 0.00 0.00 34.50 31.47 1qb8 s PRO 71 CO -0.10 -0.42 1.13 0.00 0.04 0.00 0.00 177.00 177.65 1qb8 s ALA 72 N -1.19 2.87 0.68 8.56 0.00 -1.16 -5.00 121.76 126.53 1qb8 s ALA 72 Ca 0.54 0.84 -0.16 0.00 0.00 0.00 0.00 51.96 53.17 1qb8 s ALA 72 Cb -0.41 -3.35 0.01 0.00 0.00 0.00 0.00 23.12 19.37 1qb8 s ALA 72 CO 0.54 -0.63 1.23 -2.14 0.00 0.00 0.00 175.76 174.76 1qb8 s PRO 73 N -2.95 2.40 -0.02 0.00 0.02 -1.26 -4.89 135.00 128.30 1qb8 s PRO 73 Ca 0.67 1.84 0.12 0.00 0.02 0.00 0.00 61.00 63.65 1qb8 s PRO 73 Cb -0.25 -1.86 -0.18 0.00 0.02 0.00 0.00 34.50 32.23 1qb8 s PRO 73 CO 0.30 -1.66 0.25 0.25 -0.33 0.00 0.00 177.00 175.81 1qb8 n THR 74 N -2.31 0.02 -3.83 0.99 -2.24 0.51 -4.97 114.28 102.45 1qb8 n THR 74 Ca 0.14 -0.27 -0.10 0.00 -2.27 0.00 0.00 64.05 61.55 1qb8 n THR 74 Cb 0.50 0.21 -0.08 0.00 -2.10 0.00 0.00 70.33 68.86 1qb8 n THR 74 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 1qb8 s HIS 75 N -2.81 0.07 -0.13 4.78 3.76 -1.02 -4.03 115.29 115.92 1qb8 s HIS 75 Ca -0.04 -0.37 0.01 0.00 -0.15 0.00 0.00 55.06 54.51 1qb8 s HIS 75 Cb 0.07 -0.02 0.02 0.00 1.11 0.00 0.00 32.58 33.76 1qb8 s HIS 75 CO 0.49 -0.50 -0.16 0.42 -0.85 0.00 0.00 174.74 174.14 1qb8 s ILE 76 N -3.17 1.64 -0.33 0.60 -1.09 -0.86 -1.36 121.20 116.63 1qb8 s ILE 76 Ca -0.00 -0.71 -0.04 0.00 -2.23 0.00 0.00 60.65 57.67 1qb8 s ILE 76 Cb 0.02 -1.50 0.05 0.00 -1.58 0.00 0.00 42.46 39.45 1qb8 s ILE 76 CO -0.07 0.47 0.07 -0.22 -1.23 0.00 0.00 174.94 173.96 1qb8 s LEU 77 N 1.11 4.26 -0.01 2.97 2.96 0.85 -0.40 118.68 130.43 1qb8 s LEU 77 Ca -0.03 -1.33 -0.04 0.00 -0.22 0.00 0.00 54.13 52.52 1qb8 s LEU 77 Cb -0.14 -1.79 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 1qb8 s LEU 77 CO -0.05 -0.33 0.20 -0.83 -1.32 0.00 0.00 176.35 174.02 1qb8 s GLY 78 N 1.41 2.19 0.01 7.98 0.00 -0.88 -1.33 107.32 116.71 1qb8 s GLY 78 Ca -0.02 -0.73 -0.20 0.00 0.00 0.00 0.00 44.72 43.78 1qb8 s GLY 78 CO 0.00 -0.60 0.57 -1.36 0.00 0.00 0.00 173.10 171.72 1qb8 s PHE 79 N -1.31 3.71 0.00 1.90 0.08 -0.67 -1.97 117.98 119.73 1qb8 s PHE 79 Ca 0.27 1.19 -0.30 0.00 0.12 0.00 0.00 56.93 58.21 1qb8 s PHE 79 Cb -0.13 -2.56 -0.07 0.00 -0.57 0.00 0.00 43.02 39.70 1qb8 s PHE 79 CO 0.18 0.42 1.59 0.34 -0.10 0.00 0.00 175.22 177.65 1qb8 s ASP 80 N -0.43 6.69 -0.00 1.36 -1.08 -0.58 -0.34 116.67 122.28 1qb8 s ASP 80 Ca 0.30 2.30 0.03 0.00 -0.52 0.00 0.00 52.55 54.65 1qb8 s ASP 80 Cb -0.18 -2.55 -0.04 0.00 -1.46 0.00 0.00 42.92 38.68 1qb8 s ASP 80 CO 0.17 -0.86 0.07 0.00 0.52 0.00 0.00 175.17 175.07 1qb8 n ALA 81 N 6.14 2.14 0.28 3.66 0.00 -1.26 -4.84 120.51 126.64 1qb8 n ALA 81 Ca 0.16 -0.07 0.17 0.00 0.00 0.00 0.00 53.44 53.70 1qb8 n ALA 81 Cb 0.42 -0.10 0.78 0.00 0.00 0.00 0.00 19.45 20.55 1qb8 n ALA 81 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qb8 h ARG 82 N 0.00 0.00 0.00 0.00 3.08 -1.97 -1.28 114.38 114.21 1qb8 h ARG 82 Ca 0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 1qb8 h ARG 82 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1qb8 h ARG 82 CO 0.00 0.03 -0.20 0.78 -1.07 0.00 0.00 179.97 179.52 1qb8 h GLY 83 N 1.52 0.00 2.00 0.04 0.00 -0.91 -2.74 103.07 102.97 1qb8 h GLY 83 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1qb8 h GLY 83 CO 0.00 0.00 -0.14 0.74 0.00 0.00 0.00 176.54 177.15 1qb8 h PHE 84 N 0.00 0.00 0.00 5.60 0.04 -1.25 -2.10 116.94 119.23 1qb8 h PHE 84 Ca -0.00 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.71 1qb8 h PHE 84 Cb 0.82 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.96 1qb8 h PHE 84 CO 0.00 0.14 -0.26 -0.07 -0.60 0.00 0.00 178.31 177.52 1qb8 h LEU 85 N 0.00 0.00 0.00 1.54 3.38 -1.57 -3.38 115.31 115.28 1qb8 h LEU 85 Ca -0.00 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 1qb8 h LEU 85 Cb 0.49 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 1qb8 h LEU 85 CO 0.02 0.26 -1.42 0.49 0.09 0.00 0.00 178.44 177.88 1qb8 n PHE 86 N -3.32 0.00 0.31 1.13 3.72 -1.12 -4.79 117.46 113.40 1qb8 n PHE 86 Ca 0.01 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.24 1qb8 n PHE 86 Cb 0.51 -0.29 -0.09 0.00 -0.94 0.00 0.00 39.48 38.67 1qb8 n PHE 86 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 1qb8 h GLY 87 N 1.02 -1.01 0.09 1.37 0.00 -1.56 -3.23 103.07 99.76 1qb8 h GLY 87 Ca -0.16 0.44 0.18 0.00 0.00 0.00 0.00 47.33 47.79 1qb8 h GLY 87 CO -0.00 -0.35 0.52 -2.55 0.00 0.00 0.00 176.54 174.15 1qb8 h PRO 88 N -0.91 0.63 0.00 4.80 0.11 -1.84 -0.22 132.00 134.58 1qb8 h PRO 88 Ca -0.06 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.01 1qb8 h PRO 88 Cb 0.76 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.73 1qb8 h PRO 88 CO 0.03 0.42 0.00 0.00 -0.21 0.00 0.00 178.00 178.23 1qb8 h MET 89 N 0.65 0.00 0.07 1.05 -0.00 -1.86 0.59 114.93 115.42 1qb8 h MET 89 Ca 0.54 0.00 -0.24 0.00 -0.00 0.00 0.00 59.70 60.00 1qb8 h MET 89 Cb 0.86 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 32.45 1qb8 h MET 89 CO -0.40 0.00 -1.29 0.82 -0.00 0.00 0.00 176.91 176.04 1qb8 h ILE 90 N 0.00 1.03 -0.76 -0.10 2.04 -1.24 -3.33 117.51 115.14 1qb8 h ILE 90 Ca 0.00 -2.32 -0.03 0.00 1.00 0.00 0.00 64.86 63.52 1qb8 h ILE 90 Cb 0.49 2.60 -0.04 0.00 -0.74 0.00 0.00 36.82 39.14 1qb8 h ILE 90 CO 0.00 0.59 0.38 0.00 0.00 0.00 0.00 178.15 179.12 1qb8 h ALA 91 N -0.17 1.22 -0.15 1.87 0.00 -0.85 -1.44 119.26 119.75 1qb8 h ALA 91 Ca -0.30 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 1qb8 h ALA 91 Cb 1.57 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1qb8 h ALA 91 CO -0.03 0.60 -0.08 -0.24 0.00 0.00 0.00 179.25 179.50 1qb8 h VAL 92 N 1.08 1.15 0.21 0.00 3.04 -1.05 0.21 116.25 120.89 1qb8 h VAL 92 Ca 0.26 -0.62 -0.31 0.00 -1.01 0.00 0.00 66.70 65.03 1qb8 h VAL 92 Cb 0.09 1.12 0.03 0.00 -2.01 0.00 0.00 31.29 30.53 1qb8 h VAL 92 CO -0.04 0.20 -1.33 -0.33 -1.01 0.00 0.00 177.57 175.06 1qb8 h GLU 93 N 0.21 0.53 0.00 4.17 4.39 -1.53 -3.27 114.58 119.08 1qb8 h GLU 93 Ca 0.05 -0.85 0.00 0.00 0.34 0.00 0.00 59.36 58.90 1qb8 h GLU 93 Cb 0.28 0.31 0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1qb8 h GLU 93 CO 0.01 1.40 0.00 1.28 -1.16 0.00 0.00 179.01 180.54 1qb8 n LEU 94 N -3.80 0.49 -3.38 1.33 4.77 -0.60 -4.94 117.00 110.87 1qb8 n LEU 94 Ca -0.16 0.56 -0.19 0.00 -0.03 0.00 0.00 56.01 56.19 1qb8 n LEU 94 Cb 1.04 -0.41 0.08 0.00 -2.33 0.00 0.00 43.42 41.79 1qb8 n LEU 94 CO 0.58 -0.16 0.16 -0.62 -1.33 0.00 0.00 177.39 176.02 1qb8 n GLU 95 N -1.97 -6.88 -4.25 3.23 1.02 0.72 -5.03 120.64 107.48 1qb8 n GLU 95 Ca 0.06 0.80 -0.16 0.00 -0.02 0.00 0.00 57.16 57.84 1qb8 n GLU 95 Cb 0.37 -5.73 -0.10 0.00 -0.02 0.00 0.00 31.44 25.95 1qb8 n GLU 95 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1qb8 s ILE 96 N -3.33 1.24 0.61 -3.67 -4.36 -1.04 -5.06 121.20 105.59 1qb8 s ILE 96 Ca 0.23 -1.92 -0.19 0.00 -0.26 0.00 0.00 60.65 58.51 1qb8 s ILE 96 Cb -0.10 -1.71 -0.03 0.00 1.25 0.00 0.00 42.46 41.87 1qb8 s ILE 96 CO 0.70 -0.61 1.24 -2.84 0.24 0.00 0.00 174.94 173.66 1qb8 s PRO 97 N -3.30 2.84 -0.25 0.37 0.02 -1.26 -4.59 135.00 128.83 1qb8 s PRO 97 Ca 0.14 1.90 -0.02 0.00 0.02 0.00 0.00 61.00 63.04 1qb8 s PRO 97 Cb -0.01 -1.90 0.03 0.00 0.02 0.00 0.00 34.50 32.64 1qb8 s PRO 97 CO 0.02 -1.33 -0.05 0.12 -0.33 0.00 0.00 177.00 175.42 1qb8 s PHE 98 N -1.53 3.09 0.06 6.54 5.36 -1.26 -2.02 117.98 128.22 1qb8 s PHE 98 Ca 0.79 -1.60 -0.04 0.00 -0.96 0.00 0.00 56.93 55.13 1qb8 s PHE 98 Cb -0.33 -2.06 -0.05 0.00 -0.34 0.00 0.00 43.02 40.24 1qb8 s PHE 98 CO 0.35 -0.74 0.27 0.08 -1.46 0.00 0.00 175.22 173.72 1qb8 s VAL 99 N 1.31 5.31 -0.20 3.12 1.01 0.47 -4.99 120.40 126.44 1qb8 s VAL 99 Ca -0.01 -0.08 -0.07 0.00 0.00 0.00 0.00 61.98 61.83 1qb8 s VAL 99 Cb -0.17 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 1qb8 s VAL 99 CO -0.04 0.21 0.05 -0.76 0.00 0.00 0.00 175.10 174.56 1qb8 s LEU 100 N -2.24 3.65 -0.34 3.92 1.02 -1.26 -2.06 118.68 121.36 1qb8 s LEU 100 Ca 0.33 -0.02 -0.11 0.00 0.02 0.00 0.00 54.13 54.35 1qb8 s LEU 100 Cb -0.13 -1.93 0.00 0.00 0.02 0.00 0.00 46.19 44.15 1qb8 s LEU 100 CO 0.22 0.12 0.19 -0.32 0.02 0.00 0.00 176.35 176.58 1qb8 s MET 101 N 0.70 3.21 0.23 1.70 1.75 -0.83 -4.49 119.30 121.57 1qb8 s MET 101 Ca 0.03 -0.82 -0.02 0.00 -1.25 0.00 0.00 55.69 53.63 1qb8 s MET 101 Cb -0.13 -3.67 -0.03 0.00 2.84 0.00 0.00 34.83 33.84 1qb8 s MET 101 CO 0.02 -0.51 0.23 1.03 -0.65 0.00 0.00 175.02 175.14 1qb8 s ARG 102 N 1.62 1.38 0.70 4.11 0.52 -0.60 -1.53 118.95 125.15 1qb8 s ARG 102 Ca 0.04 -1.62 -0.14 0.00 -0.52 0.00 0.00 55.73 53.50 1qb8 s ARG 102 Cb -0.18 0.32 0.02 0.00 0.52 0.00 0.00 34.95 35.64 1qb8 s ARG 102 CO 0.07 -0.49 1.11 0.15 0.02 0.00 0.00 175.30 176.16 1qb8 s LYS 103 N -3.97 2.58 0.35 3.54 1.02 -1.26 0.28 119.74 122.28 1qb8 s LYS 103 Ca 0.36 1.35 0.07 0.00 0.02 0.00 0.00 55.97 57.77 1qb8 s LYS 103 Cb 0.05 -1.93 0.77 0.00 -0.52 0.00 0.00 37.83 36.20 1qb8 s LYS 103 CO 0.14 -1.42 1.90 0.00 -0.92 0.00 0.00 175.35 175.06 1qb8 h ALA 104 N -0.36 1.77 0.00 5.17 0.00 -1.91 -0.59 119.26 123.34 1qb8 h ALA 104 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1qb8 h ALA 104 Cb 1.24 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1qb8 h ALA 104 CO 0.53 0.04 0.00 -0.40 0.00 0.00 0.00 179.25 179.42 1qb8 n ASP 105 N -4.52 0.00 0.00 0.00 3.85 -1.26 -2.74 116.55 111.88 1qb8 n ASP 105 Ca 0.15 -1.36 0.00 0.00 -0.71 0.00 0.00 54.79 52.87 1qb8 n ASP 105 Cb 0.37 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.14 1qb8 n ASP 105 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1qb8 n LYS 106 N -0.53 1.94 -3.87 0.11 4.76 -0.26 -5.08 118.16 115.23 1qb8 n LYS 106 Ca 0.01 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.13 1qb8 n LYS 106 Cb 0.00 -0.82 -0.04 0.00 -1.84 0.00 0.00 35.03 32.33 1qb8 n LYS 106 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 1qb8 s ASN 107 N -1.38 6.39 0.17 4.39 0.01 -1.06 -4.99 114.94 118.47 1qb8 s ASN 107 Ca 0.00 0.36 0.04 0.00 -0.71 0.00 0.00 52.86 52.55 1qb8 s ASN 107 Cb 0.00 -2.00 -0.04 0.00 0.41 0.00 0.00 41.25 39.62 1qb8 s ASN 107 CO 0.00 0.19 0.20 0.00 -1.51 0.00 0.00 177.10 175.98 1qb8 s ALA 108 N -1.45 3.73 0.00 0.60 0.00 -1.26 -4.95 121.76 118.43 1qb8 s ALA 108 Ca 0.33 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 51.13 1qb8 s ALA 108 Cb -0.13 -1.53 0.00 0.00 0.00 0.00 0.00 23.12 21.46 1qb8 s ALA 108 CO 0.24 0.49 0.00 0.41 0.00 0.00 0.00 175.76 176.90 1qb8 n GLY 109 N -0.51 -1.93 3.70 0.00 0.00 -1.26 -4.73 105.19 100.46 1qb8 n GLY 109 Ca -0.08 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.84 1qb8 n GLY 109 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qb8 s LEU 110 N 0.00 4.30 0.31 0.99 1.43 -1.26 -4.97 118.68 119.48 1qb8 s LEU 110 Ca 0.00 1.71 0.09 0.00 -1.03 0.00 0.00 54.13 54.90 1qb8 s LEU 110 Cb 0.00 -3.56 -0.05 0.00 0.03 0.00 0.00 46.19 42.61 1qb8 s LEU 110 CO 0.00 -0.45 0.02 -0.76 0.23 0.00 0.00 176.35 175.39 1qb8 s LEU 111 N 1.73 3.11 -0.12 1.79 1.43 -1.26 0.62 118.68 125.98 1qb8 s LEU 111 Ca 0.53 -0.80 0.03 0.00 -1.03 0.00 0.00 54.13 52.85 1qb8 s LEU 111 Cb -0.22 -1.57 0.00 0.00 0.03 0.00 0.00 46.19 44.43 1qb8 s LEU 111 CO 0.23 -0.14 -0.22 -0.63 0.23 0.00 0.00 176.35 175.82 1qb8 s ILE 112 N -2.42 2.16 0.05 -0.59 1.01 -0.60 -4.72 121.20 116.09 1qb8 s ILE 112 Ca 0.34 -0.96 0.03 0.00 0.00 0.00 0.00 60.65 60.05 1qb8 s ILE 112 Cb -0.03 -1.85 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 1qb8 s ILE 112 CO 0.20 0.55 0.03 0.00 0.00 0.00 0.00 174.94 175.72 1qb8 s ARG 113 N 0.59 2.76 0.83 2.79 1.70 -1.26 -2.76 118.95 123.60 1qb8 s ARG 113 Ca -0.12 -0.69 -0.12 0.00 -0.47 0.00 0.00 55.73 54.33 1qb8 s ARG 113 Cb -0.17 -2.66 0.09 0.00 -0.57 0.00 0.00 34.95 31.65 1qb8 s ARG 113 CO 0.03 0.58 1.13 -1.54 -1.08 0.00 0.00 175.30 174.42 1qb8 s SER 114 N -2.04 4.22 -0.61 -2.89 1.04 0.45 -4.98 113.70 108.91 1qb8 s SER 114 Ca 0.24 1.05 0.05 0.00 0.48 0.00 0.00 55.95 57.77 1qb8 s SER 114 Cb -0.12 -1.69 0.17 0.00 0.10 0.00 0.00 66.02 64.49 1qb8 s SER 114 CO 0.16 -2.11 0.44 -1.61 0.98 0.00 0.00 173.24 171.11 1qb8 s GLU 115 N -5.31 1.93 0.75 4.02 2.02 -1.26 -4.69 118.70 116.16 1qb8 s GLU 115 Ca 0.62 -2.93 -0.14 0.00 0.02 0.00 0.00 54.97 52.54 1qb8 s GLU 115 Cb -0.13 -2.73 0.05 0.00 0.10 0.00 0.00 34.13 31.42 1qb8 s GLU 115 CO 0.53 -1.32 1.18 -1.25 0.02 0.00 0.00 175.26 174.41 1qb8 s PRO 116 N -0.95 2.09 0.72 0.39 0.04 -1.26 -5.02 135.00 131.00 1qb8 s PRO 116 Ca 0.28 1.65 -0.11 0.00 0.04 0.00 0.00 61.00 62.85 1qb8 s PRO 116 Cb -0.01 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 32.71 1qb8 s PRO 116 CO -0.18 -1.85 1.08 0.71 0.04 0.00 0.00 177.00 176.80 1qb8 s TYR 117 N -2.17 3.19 0.57 0.56 4.12 -1.26 -5.01 117.35 117.35 1qb8 s TYR 117 Ca 0.72 1.16 -0.21 0.00 0.02 0.00 0.00 57.07 58.76 1qb8 s TYR 117 Cb -0.26 -3.01 -0.04 0.00 -1.52 0.00 0.00 41.96 37.12 1qb8 s TYR 117 CO 0.47 -1.29 1.33 -1.21 0.02 0.00 0.00 175.55 174.86 1qb8 s GLU 118 N -5.24 3.01 0.01 -0.62 2.02 -1.26 -4.80 118.70 111.82 1qb8 s GLU 118 Ca 0.58 2.15 -0.30 0.00 0.02 0.00 0.00 54.97 57.42 1qb8 s GLU 118 Cb -0.12 -2.14 -0.05 0.00 0.10 0.00 0.00 34.13 31.92 1qb8 s GLU 118 CO 0.53 -1.26 1.24 -1.59 0.02 0.00 0.00 175.26 174.20 1qb8 s LYS 119 N -3.04 4.37 -1.40 1.61 -2.85 -1.26 -4.93 119.74 112.25 1qb8 s LYS 119 Ca 0.74 1.78 -0.13 0.00 -1.00 0.00 0.00 55.97 57.36 1qb8 s LYS 119 Cb -0.39 -3.46 0.08 0.00 -2.06 0.00 0.00 37.83 32.00 1qb8 s LYS 119 CO 0.44 -0.39 2.10 0.39 0.10 0.00 0.00 175.35 178.00 1qb8 n GLU 120 N 4.66 3.09 -1.32 1.78 1.02 -1.26 -4.93 120.64 123.67 1qb8 n GLU 120 Ca 0.10 -2.90 0.18 0.00 -0.02 0.00 0.00 57.16 54.52 1qb8 n GLU 120 Cb 0.46 -3.19 -0.05 0.00 -0.02 0.00 0.00 31.44 28.64 1qb8 n GLU 120 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 1qb8 n TYR 121 N 5.56 -3.32 -1.51 -0.32 9.36 -1.26 -4.84 117.16 120.83 1qb8 n TYR 121 Ca 0.48 1.66 -0.18 0.00 3.32 0.00 0.00 57.90 63.19 1qb8 n TYR 121 Cb 0.39 -3.01 -0.08 0.00 -0.63 0.00 0.00 39.34 36.01 1qb8 n TYR 121 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 1qb8 n LYS 122 N -3.93 -1.39 0.00 2.98 3.00 -1.26 -4.70 118.16 112.85 1qb8 n LYS 122 Ca 0.00 1.12 0.00 0.00 -0.00 0.00 0.00 58.31 59.43 1qb8 n LYS 122 Cb 0.65 -5.45 0.00 0.00 0.00 0.00 0.00 35.03 30.24 1qb8 n LYS 122 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1qb8 n GLU 123 N -2.16 0.00 -2.92 1.64 1.02 -1.26 -4.98 120.64 111.99 1qb8 n GLU 123 Ca -0.18 0.00 -0.04 0.00 -0.02 0.00 0.00 57.16 56.92 1qb8 n GLU 123 Cb 0.62 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 32.06 1qb8 n GLU 123 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1qb8 n ALA 124 N 10.67 -2.33 -1.76 0.62 0.00 -1.26 -4.67 120.51 121.78 1qb8 n ALA 124 Ca 0.00 0.04 -0.42 0.00 0.00 0.00 0.00 53.44 53.06 1qb8 n ALA 124 Cb 0.00 -2.54 -0.03 0.00 0.00 0.00 0.00 19.45 16.88 1qb8 n ALA 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qb8 s ALA 125 N -3.11 3.86 0.48 0.00 0.00 -1.26 -4.87 121.76 116.86 1qb8 s ALA 125 Ca 0.13 1.51 -0.23 0.00 0.00 0.00 0.00 51.96 53.37 1qb8 s ALA 125 Cb -0.02 -3.71 -0.07 0.00 0.00 0.00 0.00 23.12 19.33 1qb8 s ALA 125 CO 0.65 -1.01 1.21 -2.14 0.00 0.00 0.00 175.76 174.47 1qb8 s PRO 126 N 1.73 3.61 -0.04 0.00 0.02 -1.26 -5.03 135.00 134.03 1qb8 s PRO 126 Ca 0.76 1.89 -0.18 0.00 0.02 0.00 0.00 61.00 63.49 1qb8 s PRO 126 Cb -0.47 -2.38 -0.05 0.00 0.02 0.00 0.00 34.50 31.62 1qb8 s PRO 126 CO 0.33 -0.70 0.49 -1.21 -0.33 0.00 0.00 177.00 175.58 1qb8 s GLU 127 N -2.74 4.20 -0.24 5.54 2.02 -1.26 -5.02 118.70 121.20 1qb8 s GLU 127 Ca 0.65 0.53 -0.20 0.00 0.02 0.00 0.00 54.97 55.97 1qb8 s GLU 127 Cb -0.31 -3.33 -0.02 0.00 0.10 0.00 0.00 34.13 30.56 1qb8 s GLU 127 CO 0.38 0.41 0.63 0.08 0.02 0.00 0.00 175.26 176.77 1qb8 s VAL 128 N -0.22 4.99 0.32 2.63 1.01 -1.26 -4.76 120.40 123.11 1qb8 s VAL 128 Ca 0.27 1.14 0.08 0.00 0.00 0.00 0.00 61.98 63.47 1qb8 s VAL 128 Cb -0.17 -3.93 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 1qb8 s VAL 128 CO 0.14 0.05 0.14 -0.04 0.00 0.00 0.00 175.10 175.38 1qb8 s MET 129 N 2.37 2.45 0.17 2.72 -1.94 -1.26 -4.50 119.30 119.31 1qb8 s MET 129 Ca 0.27 -1.45 -0.07 0.00 -1.71 0.00 0.00 55.69 52.73 1qb8 s MET 129 Cb -0.16 -2.24 -0.02 0.00 2.01 0.00 0.00 34.83 34.42 1qb8 s MET 129 CO 0.09 0.18 0.24 0.95 -0.01 0.00 0.00 175.02 176.47 1qb8 s THR 130 N -2.37 0.06 0.04 2.05 -4.23 0.14 -0.41 115.64 110.92 1qb8 s THR 130 Ca 0.37 -1.55 -0.07 0.00 -1.18 0.00 0.00 61.69 59.26 1qb8 s THR 130 Cb -0.04 -1.98 -0.01 0.00 1.34 0.00 0.00 72.50 71.82 1qb8 s THR 130 CO 0.23 -0.28 0.13 0.27 -0.54 0.00 0.00 174.62 174.43 1qb8 s ILE 131 N -4.01 0.12 0.26 2.99 -4.36 -1.11 -1.55 121.20 113.54 1qb8 s ILE 131 Ca 0.21 -1.01 -0.30 0.00 -0.26 0.00 0.00 60.65 59.30 1qb8 s ILE 131 Cb 0.04 -0.86 -0.10 0.00 1.25 0.00 0.00 42.46 42.80 1qb8 s ILE 131 CO 0.02 -0.55 1.29 -0.60 0.24 0.00 0.00 174.94 175.34 1qb8 s ARG 132 N -2.50 4.40 0.11 0.37 3.52 -1.26 -1.56 118.95 122.03 1qb8 s ARG 132 Ca -0.06 2.10 -0.31 0.00 -0.13 0.00 0.00 55.73 57.33 1qb8 s ARG 132 Cb -0.02 -3.14 -0.10 0.00 -1.56 0.00 0.00 34.95 30.13 1qb8 s ARG 132 CO -0.04 -0.18 1.83 -0.47 -0.81 0.00 0.00 175.30 175.63 1qb8 s TYR 133 N -0.52 2.07 0.00 5.12 6.14 0.20 -1.70 117.35 128.66 1qb8 s TYR 133 Ca 0.52 -0.04 0.00 0.00 0.64 0.00 0.00 57.07 58.19 1qb8 s TYR 133 Cb -0.37 -4.17 0.00 0.00 0.42 0.00 0.00 41.96 37.84 1qb8 s TYR 133 CO 0.44 -4.85 0.00 0.41 0.64 0.00 0.00 175.55 172.19 1qb8 n GLY 134 N 4.25 0.88 0.20 8.97 0.00 -1.26 -4.88 105.19 113.34 1qb8 n GLY 134 Ca 0.18 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.24 1qb8 n GLY 134 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1qb8 h SER 135 N 0.00 0.00 -3.20 1.61 4.64 -1.71 -3.39 113.55 111.50 1qb8 h SER 135 Ca 0.00 0.00 -0.56 0.00 -0.47 0.00 0.00 61.79 60.76 1qb8 h SER 135 Cb 0.00 0.00 -0.36 0.00 -0.31 0.00 0.00 62.40 61.73 1qb8 h SER 135 CO 0.00 0.34 -0.82 -0.63 -0.87 0.00 0.00 176.83 174.85 1qb8 s ILE 136 N -4.09 1.28 0.54 0.95 1.01 -1.26 -5.01 121.20 114.61 1qb8 s ILE 136 Ca -0.02 -0.47 0.08 0.00 0.00 0.00 0.00 60.65 60.24 1qb8 s ILE 136 Cb 0.14 -1.22 0.06 0.00 0.01 0.00 0.00 42.46 41.45 1qb8 s ILE 136 CO 0.70 0.41 0.74 -0.83 0.00 0.00 0.00 174.94 175.96 1qb8 s GLY 137 N 1.42 1.80 0.24 6.18 0.00 -1.26 -4.88 107.32 110.83 1qb8 s GLY 137 Ca 0.01 -1.92 -0.31 0.00 0.00 0.00 0.00 44.72 42.50 1qb8 s GLY 137 CO -0.07 -1.54 1.53 1.17 0.00 0.00 0.00 173.10 174.19 1qb8 n LYS 138 N -2.19 2.35 -0.27 2.90 4.81 -1.25 -1.78 118.16 122.73 1qb8 n LYS 138 Ca 0.13 0.84 0.00 0.00 -0.87 0.00 0.00 58.31 58.41 1qb8 n LYS 138 Cb 0.61 -2.57 0.00 0.00 0.02 0.00 0.00 35.03 33.08 1qb8 n LYS 138 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1qb8 n GLY 139 N 2.53 1.51 3.76 3.14 0.00 -1.01 -4.98 105.19 110.13 1qb8 n GLY 139 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 1qb8 n GLY 139 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qb8 s SER 140 N -3.19 5.23 -0.29 1.61 0.01 -0.73 -4.85 113.70 111.48 1qb8 s SER 140 Ca 0.00 2.28 0.03 0.00 1.31 0.00 0.00 55.95 59.57 1qb8 s SER 140 Cb 0.00 -2.59 0.08 0.00 0.21 0.00 0.00 66.02 63.72 1qb8 s SER 140 CO 0.00 -1.56 -0.01 -0.13 0.41 0.00 0.00 173.24 171.95 1qb8 s ARG 141 N -3.47 1.65 -0.16 12.44 0.52 -1.26 -1.47 118.95 127.20 1qb8 s ARG 141 Ca 0.75 -1.47 -0.07 0.00 -0.52 0.00 0.00 55.73 54.42 1qb8 s ARG 141 Cb -0.27 -2.87 -0.04 0.00 0.52 0.00 0.00 34.95 32.29 1qb8 s ARG 141 CO 0.34 -0.77 0.07 0.08 0.02 0.00 0.00 175.30 175.03 1qb8 s VAL 142 N 1.13 4.86 -0.25 3.52 1.01 -0.37 -0.36 120.40 129.94 1qb8 s VAL 142 Ca 0.02 -0.02 -0.12 0.00 0.00 0.00 0.00 61.98 61.86 1qb8 s VAL 142 Cb -0.19 -3.16 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 1qb8 s VAL 142 CO -0.09 0.50 0.22 -0.69 0.00 0.00 0.00 175.10 175.05 1qb8 s VAL 143 N -0.01 5.30 -0.03 2.92 1.01 -0.46 -0.37 120.40 128.76 1qb8 s VAL 143 Ca 0.06 0.29 -0.14 0.00 0.00 0.00 0.00 61.98 62.19 1qb8 s VAL 143 Cb -0.12 -3.56 -0.05 0.00 0.00 0.00 0.00 36.38 32.64 1qb8 s VAL 143 CO 0.01 0.28 0.38 -0.76 0.00 0.00 0.00 175.10 175.01 1qb8 s LEU 144 N 1.43 4.43 -0.04 3.92 1.02 -0.61 -0.10 118.68 128.73 1qb8 s LEU 144 Ca 0.10 0.87 -0.04 0.00 0.02 0.00 0.00 54.13 55.07 1qb8 s LEU 144 Cb -0.15 -2.53 0.01 0.00 0.02 0.00 0.00 46.19 43.55 1qb8 s LEU 144 CO 0.08 0.29 0.12 -0.51 0.02 0.00 0.00 176.35 176.34 1qb8 s ILE 145 N -0.81 0.01 0.25 -0.59 2.07 -0.44 -0.26 121.20 121.42 1qb8 s ILE 145 Ca 0.22 -0.07 -0.17 0.00 -1.41 0.00 0.00 60.65 59.23 1qb8 s ILE 145 Cb -0.16 -0.19 0.01 0.00 0.13 0.00 0.00 42.46 42.25 1qb8 s ILE 145 CO 0.11 -0.04 0.59 -0.62 -1.91 0.00 0.00 174.94 173.08 1qb8 s ASP 146 N -0.06 -0.20 -0.10 4.50 3.68 -1.04 -1.66 116.67 121.78 1qb8 s ASP 146 Ca -0.01 -0.69 -0.27 0.00 2.13 0.00 0.00 52.55 53.70 1qb8 s ASP 146 Cb -0.01 0.65 -0.25 0.00 -1.45 0.00 0.00 42.92 41.85 1qb8 s ASP 146 CO 0.00 -1.21 0.88 -2.24 0.13 0.00 0.00 175.17 172.73 1qb8 h ASP 147 N 2.13 0.08 -3.36 -0.34 -0.00 -1.87 -3.14 116.42 109.92 1qb8 h ASP 147 Ca -0.24 -0.90 -0.60 0.00 -0.00 0.00 0.00 57.03 55.29 1qb8 h ASP 147 Cb 1.25 -0.02 -0.33 0.00 -0.00 0.00 0.00 39.33 40.23 1qb8 h ASP 147 CO 0.31 0.97 -0.85 -0.69 -0.00 0.00 0.00 179.24 178.98 1qb8 s VAL 148 N -2.62 1.64 -0.37 4.15 1.01 -1.26 -0.54 120.40 122.41 1qb8 s VAL 148 Ca -0.18 -0.77 -0.14 0.00 0.00 0.00 0.00 61.98 60.89 1qb8 s VAL 148 Cb -0.02 -1.45 0.00 0.00 0.00 0.00 0.00 36.38 34.92 1qb8 s VAL 148 CO 0.71 0.47 0.30 -0.22 0.00 0.00 0.00 175.10 176.36 1qb8 s LEU 149 N 0.53 4.74 0.00 3.92 2.96 0.39 -4.97 118.68 126.25 1qb8 s LEU 149 Ca -0.16 -0.58 0.00 0.00 -0.22 0.00 0.00 54.13 53.17 1qb8 s LEU 149 Cb -0.17 -2.21 0.00 0.00 0.50 0.00 0.00 46.19 44.32 1qb8 s LEU 149 CO 0.06 -0.36 0.00 0.00 -1.32 0.00 0.00 176.35 174.73 1qb8 n ALA 150 N 5.22 0.42 0.25 5.97 0.00 -1.26 -1.55 120.51 129.57 1qb8 n ALA 150 Ca -0.11 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.45 1qb8 n ALA 150 Cb 0.48 0.00 0.14 0.00 0.00 0.00 0.00 19.45 20.07 1qb8 n ALA 150 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.50 179.29 1qb8 h THR 151 N 0.00 0.00 0.00 0.00 1.35 -1.92 -3.36 112.91 108.98 1qb8 h THR 151 Ca 0.00 -0.91 0.00 0.00 -0.55 0.00 0.00 66.41 64.95 1qb8 h THR 151 Cb 0.00 1.71 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 1qb8 h THR 151 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1qb8 n GLY 152 N 1.17 0.76 0.37 5.82 0.00 -1.26 -4.48 105.19 107.57 1qb8 n GLY 152 Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.06 1qb8 n GLY 152 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1qb8 h GLY 153 N 0.00 1.44 1.09 -0.02 0.00 -1.98 -0.97 103.07 102.63 1qb8 h GLY 153 Ca 0.00 -0.49 -0.19 0.00 0.00 0.00 0.00 47.33 46.65 1qb8 h GLY 153 CO 0.00 0.41 -0.62 -0.84 0.00 0.00 0.00 176.54 175.49 1qb8 h THR 154 N 1.23 1.29 -0.78 4.70 2.02 -1.94 -2.76 112.91 116.68 1qb8 h THR 154 Ca 0.39 -1.83 0.05 0.00 0.77 0.00 0.00 66.41 65.79 1qb8 h THR 154 Cb 0.02 1.90 -0.05 0.00 -1.74 0.00 0.00 68.15 68.28 1qb8 h THR 154 CO -0.13 0.58 0.48 0.00 0.37 0.00 0.00 175.52 176.82 1qb8 h ALA 155 N 0.58 1.04 -0.46 6.16 0.00 -1.86 -1.08 119.26 123.65 1qb8 h ALA 155 Ca -0.02 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1qb8 h ALA 155 Cb 1.25 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 1qb8 h ALA 155 CO 0.13 0.23 0.07 1.25 0.00 0.00 0.00 179.25 180.94 1qb8 h LEU 156 N 0.90 0.66 -0.75 0.00 5.85 -1.16 0.38 115.31 121.20 1qb8 h LEU 156 Ca 0.33 -0.12 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 1qb8 h LEU 156 Cb 0.11 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 1qb8 h LEU 156 CO -0.15 0.69 0.26 0.28 -0.34 0.00 0.00 178.44 179.18 1qb8 h SER 157 N 0.68 1.06 -0.09 1.25 0.02 -0.94 -0.88 113.55 114.64 1qb8 h SER 157 Ca 0.15 -0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 1qb8 h SER 157 Cb 0.32 -0.28 -0.00 0.00 0.14 0.00 0.00 62.40 62.58 1qb8 h SER 157 CO 0.00 0.97 0.05 1.23 -1.14 0.00 0.00 176.83 177.95 1qb8 h GLY 158 N 1.10 0.14 0.72 -3.77 0.00 -0.19 -1.60 103.07 99.46 1qb8 h GLY 158 Ca 0.24 -0.06 0.03 0.00 0.00 0.00 0.00 47.33 47.54 1qb8 h GLY 158 CO -0.01 0.06 0.01 1.41 0.00 0.00 0.00 176.54 178.01 1qb8 h LEU 159 N 0.06 -0.05 -0.63 3.11 3.38 -0.70 -1.46 115.31 119.01 1qb8 h LEU 159 Ca 0.03 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.09 1qb8 h LEU 159 Cb 0.08 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.84 1qb8 h LEU 159 CO -0.01 0.00 0.36 1.56 0.09 0.00 0.00 178.44 180.45 1qb8 h GLN 160 N 0.08 0.66 -0.55 1.13 4.20 -1.02 -0.02 115.11 119.59 1qb8 h GLN 160 Ca 0.09 -0.04 -0.10 0.00 0.06 0.00 0.00 58.65 58.66 1qb8 h GLN 160 Cb 0.11 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 1qb8 h GLN 160 CO -0.15 0.44 -0.06 -0.07 -0.67 0.00 0.00 178.83 178.32 1qb8 h LEU 161 N 0.68 0.99 -0.36 1.46 3.38 -0.90 0.15 115.31 120.71 1qb8 h LEU 161 Ca 0.28 -0.30 -0.16 0.00 0.09 0.00 0.00 57.88 57.78 1qb8 h LEU 161 Cb 0.14 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 1qb8 h LEU 161 CO -0.16 1.07 -0.41 0.58 0.09 0.00 0.00 178.44 179.61 1qb8 h VAL 162 N 0.90 1.27 0.07 1.22 2.07 -0.99 -2.37 116.25 118.42 1qb8 h VAL 162 Ca 0.15 -1.58 -0.00 0.00 0.82 0.00 0.00 66.70 66.08 1qb8 h VAL 162 Cb 0.61 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1qb8 h VAL 162 CO 0.04 0.53 -0.03 -0.08 0.02 0.00 0.00 177.57 178.04 1qb8 h GLU 163 N 0.73 -0.09 -0.04 1.57 4.81 -0.84 -1.93 114.58 118.79 1qb8 h GLU 163 Ca 0.05 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1qb8 h GLU 163 Cb 1.01 0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.41 1qb8 h GLU 163 CO 0.10 0.04 0.05 0.00 -0.73 0.00 0.00 179.01 178.47 1qb8 h ALA 164 N 0.73 1.58 -0.04 2.92 0.00 -0.66 -0.47 119.26 123.31 1qb8 h ALA 164 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1qb8 h ALA 164 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1qb8 h ALA 164 CO 0.02 -0.07 0.00 0.43 0.00 0.00 0.00 179.25 179.62 1qb8 n SER 165 N -3.82 0.92 -2.18 0.00 7.64 -0.90 -4.91 113.62 110.38 1qb8 n SER 165 Ca -0.02 -1.40 -0.15 0.00 1.01 0.00 0.00 58.87 58.32 1qb8 n SER 165 Cb 0.14 -0.02 0.03 0.00 -1.01 0.00 0.00 64.21 63.35 1qb8 n SER 165 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1qb8 n ASP 166 N -0.25 -4.61 -4.53 6.43 2.03 -0.19 -3.77 116.55 111.67 1qb8 n ASP 166 Ca 0.19 -0.24 -0.26 0.00 0.52 0.00 0.00 54.79 55.00 1qb8 n ASP 166 Cb 0.24 -3.38 -0.10 0.00 -0.72 0.00 0.00 41.12 37.16 1qb8 n ASP 166 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1qb8 s ALA 167 N -3.04 2.90 0.09 -1.67 0.00 -0.77 -2.40 121.76 116.87 1qb8 s ALA 167 Ca 0.26 -1.95 0.09 0.00 0.00 0.00 0.00 51.96 50.36 1qb8 s ALA 167 Cb -0.11 0.41 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 1qb8 s ALA 167 CO 0.32 -0.21 -0.20 0.14 0.00 0.00 0.00 175.76 175.81 1qb8 s VAL 168 N -3.01 2.70 -0.14 0.00 -7.23 -0.54 -4.18 120.40 108.00 1qb8 s VAL 168 Ca 0.32 -1.45 -0.22 0.00 -1.81 0.00 0.00 61.98 58.82 1qb8 s VAL 168 Cb 0.08 -2.20 -0.03 0.00 0.56 0.00 0.00 36.38 34.79 1qb8 s VAL 168 CO 0.15 0.18 0.65 -0.69 -0.31 0.00 0.00 175.10 175.08 1qb8 s VAL 169 N -1.06 5.04 -0.06 1.32 1.01 -1.26 -1.23 120.40 124.16 1qb8 s VAL 169 Ca 0.16 1.28 -0.26 0.00 0.00 0.00 0.00 61.98 63.16 1qb8 s VAL 169 Cb -0.10 -3.98 -0.22 0.00 0.00 0.00 0.00 36.38 32.08 1qb8 s VAL 169 CO 0.08 0.18 1.08 0.58 0.00 0.00 0.00 175.10 177.02 1qb8 h VAL 170 N 4.98 1.54 0.00 2.92 2.07 -1.04 -3.47 116.25 123.25 1qb8 h VAL 170 Ca -0.36 -1.67 0.00 0.00 0.82 0.00 0.00 66.70 65.49 1qb8 h VAL 170 Cb 1.16 2.63 0.00 0.00 -1.52 0.00 0.00 31.29 33.57 1qb8 h VAL 170 CO 0.77 0.44 0.00 -1.84 0.02 0.00 0.00 177.57 176.96 1qb8 n GLU 171 N -4.70 0.00 -3.76 1.57 0.28 -1.26 -4.51 120.64 108.27 1qb8 n GLU 171 Ca -0.09 0.00 -0.37 0.00 -0.16 0.00 0.00 57.16 56.54 1qb8 n GLU 171 Cb 0.38 0.00 -0.12 0.00 1.43 0.00 0.00 31.44 33.13 1qb8 n GLU 171 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 177.13 178.38 1qb8 s MET 172 N -2.00 3.77 -0.07 3.44 -2.45 -0.26 -1.58 119.30 120.15 1qb8 s MET 172 Ca 0.00 -0.42 0.02 0.00 -1.25 0.00 0.00 55.69 54.04 1qb8 s MET 172 Cb 0.00 -3.38 -0.02 0.00 1.25 0.00 0.00 34.83 32.67 1qb8 s MET 172 CO 0.00 -0.12 -0.13 0.54 1.05 0.00 0.00 175.02 176.36 1qb8 s VAL 173 N 1.46 3.14 0.03 10.11 0.11 0.64 -1.22 120.40 134.66 1qb8 s VAL 173 Ca 0.06 -0.68 0.02 0.00 -2.93 0.00 0.00 61.98 58.45 1qb8 s VAL 173 Cb -0.15 -2.26 -0.02 0.00 -1.53 0.00 0.00 36.38 32.42 1qb8 s VAL 173 CO 0.05 0.57 -0.08 -0.94 -3.33 0.00 0.00 175.10 171.38 1qb8 s SER 174 N -0.44 0.85 0.06 3.54 1.04 -0.77 -2.48 113.70 115.50 1qb8 s SER 174 Ca 0.05 -0.39 -0.19 0.00 0.48 0.00 0.00 55.95 55.90 1qb8 s SER 174 Cb -0.12 -0.01 -0.12 0.00 0.10 0.00 0.00 66.02 65.86 1qb8 s SER 174 CO 0.02 -0.09 1.40 0.40 0.98 0.00 0.00 173.24 175.95 1qb8 h ILE 175 N 4.67 1.32 -4.22 -1.02 1.08 -0.89 -2.69 117.51 115.75 1qb8 h ILE 175 Ca -0.33 -1.21 -0.52 0.00 -0.39 0.00 0.00 64.86 62.41 1qb8 h ILE 175 Cb 1.20 1.71 -0.28 0.00 -3.07 0.00 0.00 36.82 36.38 1qb8 h ILE 175 CO 0.44 0.36 -0.82 -0.22 -0.69 0.00 0.00 178.15 177.22 1qb8 s LEU 176 N -9.19 2.07 0.11 1.44 2.96 0.30 -1.83 118.68 114.54 1qb8 s LEU 176 Ca -0.14 -0.34 0.10 0.00 -0.22 0.00 0.00 54.13 53.52 1qb8 s LEU 176 Cb 0.06 -0.81 -0.04 0.00 0.50 0.00 0.00 46.19 45.91 1qb8 s LEU 176 CO 0.76 0.17 -0.24 -0.94 -1.32 0.00 0.00 176.35 174.77 1qb8 s SER 177 N -0.60 2.99 -0.74 3.68 1.04 -0.45 -0.46 113.70 119.16 1qb8 s SER 177 Ca 0.06 -0.70 0.04 0.00 0.48 0.00 0.00 55.95 55.82 1qb8 s SER 177 Cb -0.07 -0.20 0.22 0.00 0.10 0.00 0.00 66.02 66.08 1qb8 s SER 177 CO -0.00 0.14 0.73 -0.38 0.98 0.00 0.00 173.24 174.71 1qb8 n ILE 178 N 1.09 2.47 0.20 -1.02 2.08 -0.59 -0.87 119.36 122.72 1qb8 n ILE 178 Ca -0.18 -5.15 0.13 0.00 0.56 0.00 0.00 62.75 58.10 1qb8 n ILE 178 Cb 0.53 -2.17 0.44 0.00 -0.75 0.00 0.00 39.64 37.69 1qb8 n ILE 178 CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 1qb8 h PRO 179 N 4.94 0.00 -0.13 0.38 0.13 -1.92 -0.63 132.00 134.77 1qb8 h PRO 179 Ca 0.18 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.23 1qb8 h PRO 179 Cb 0.71 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.83 1qb8 h PRO 179 CO 0.84 0.00 -0.28 0.35 -0.23 0.00 0.00 178.00 178.68 1qb8 h PHE 180 N 0.00 0.27 -0.00 1.56 3.57 -1.95 -2.58 116.94 117.81 1qb8 h PHE 180 Ca 0.11 -0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.56 1qb8 h PHE 180 Cb 1.61 -0.07 0.00 0.00 2.79 0.00 0.00 35.95 40.28 1qb8 h PHE 180 CO 0.00 0.51 -0.00 1.28 -2.23 0.00 0.00 178.31 177.87 1qb8 n LEU 181 N -4.13 0.06 -4.30 0.59 4.77 -0.24 -4.95 117.00 108.79 1qb8 n LEU 181 Ca -0.01 -0.02 -0.36 0.00 -0.03 0.00 0.00 56.01 55.60 1qb8 n LEU 181 Cb 0.39 -0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.42 1qb8 n LEU 181 CO 0.40 0.01 -0.17 0.29 -1.33 0.00 0.00 177.39 176.59 1qb8 n LYS 182 N -0.96 -2.09 0.10 3.23 5.02 -0.98 -4.78 118.16 117.71 1qb8 n LYS 182 Ca 0.24 0.26 -0.12 0.00 -2.02 0.00 0.00 58.31 56.66 1qb8 n LYS 182 Cb 0.12 -4.65 -0.06 0.00 -0.02 0.00 0.00 35.03 30.42 1qb8 n LYS 182 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1qb8 h ALA 183 N 0.87 -0.24 -0.46 7.82 0.00 -1.79 -0.21 119.26 125.25 1qb8 h ALA 183 Ca -0.61 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 54.30 1qb8 h ALA 183 Cb 1.39 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 19.35 1qb8 h ALA 183 CO 0.78 -0.66 0.26 0.00 0.00 0.00 0.00 179.25 179.63 1qb8 h ALA 184 N 0.58 0.58 0.25 0.00 0.00 -1.91 -0.40 119.26 118.36 1qb8 h ALA 184 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1qb8 h ALA 184 Cb 0.29 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1qb8 h ALA 184 CO -0.06 -0.07 -0.15 0.93 0.00 0.00 0.00 179.25 179.90 1qb8 h GLU 185 N 0.51 -0.36 -0.58 0.00 3.07 -1.86 0.38 114.58 115.74 1qb8 h GLU 185 Ca 0.19 0.02 -0.00 0.00 -0.50 0.00 0.00 59.36 59.07 1qb8 h GLU 185 Cb 0.05 0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.01 1qb8 h GLU 185 CO -0.10 -0.24 0.35 0.87 -1.40 0.00 0.00 179.01 178.49 1qb8 h LYS 186 N -0.38 0.79 -0.17 2.33 1.57 -0.90 -2.20 116.57 117.61 1qb8 h LYS 186 Ca -0.02 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.60 1qb8 h LYS 186 Cb 0.31 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 1qb8 h LYS 186 CO 0.03 0.57 -0.28 0.82 -0.57 0.00 0.00 179.45 180.02 1qb8 h ILE 187 N 0.78 1.26 0.00 1.86 2.04 -0.96 -1.43 117.51 121.05 1qb8 h ILE 187 Ca 0.21 -1.24 -0.00 0.00 1.00 0.00 0.00 64.86 64.83 1qb8 h ILE 187 Cb -0.02 1.44 -0.00 0.00 -0.74 0.00 0.00 36.82 37.50 1qb8 h ILE 187 CO -0.04 0.38 -0.02 0.45 0.00 0.00 0.00 178.15 178.92 1qb8 h HIS 188 N 0.29 0.00 0.00 1.37 3.86 -0.38 -3.33 115.15 116.96 1qb8 h HIS 188 Ca 0.04 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.25 1qb8 h HIS 188 Cb 0.64 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.11 1qb8 h HIS 188 CO 0.01 0.02 -1.43 -1.13 0.86 0.00 0.00 177.93 176.26 1qb8 n SER 189 N -3.11 2.85 -4.75 2.45 3.41 -0.88 -3.91 113.62 109.69 1qb8 n SER 189 Ca 0.02 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.25 1qb8 n SER 189 Cb 0.40 1.41 0.05 0.00 -0.26 0.00 0.00 64.21 65.80 1qb8 n SER 189 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1qb8 s THR 190 N -2.64 2.21 -1.30 6.66 -1.32 -0.56 -2.42 115.64 116.28 1qb8 s THR 190 Ca -0.03 0.15 -0.03 0.00 -1.21 0.00 0.00 61.69 60.57 1qb8 s THR 190 Cb 0.06 -3.07 -0.00 0.00 -1.51 0.00 0.00 72.50 67.98 1qb8 s THR 190 CO 0.39 -0.02 0.65 0.00 -2.21 0.00 0.00 174.62 173.43 1qb8 n ALA 191 N -1.39 -2.09 -3.73 11.08 0.00 -1.26 -2.59 120.51 120.53 1qb8 n ALA 191 Ca 0.13 -0.19 -0.23 0.00 0.00 0.00 0.00 53.44 53.15 1qb8 n ALA 191 Cb 0.47 -2.20 0.03 0.00 0.00 0.00 0.00 19.45 17.75 1qb8 n ALA 191 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1qb8 n ASN 192 N -3.01 -1.79 -2.73 0.00 3.02 -1.22 -2.73 115.26 106.81 1qb8 n ASN 192 Ca -0.27 -0.81 -0.18 0.00 -0.03 0.00 0.00 54.58 53.28 1qb8 n ASN 192 Cb 0.67 -4.05 0.00 0.00 -0.61 0.00 0.00 39.78 35.80 1qb8 n ASN 192 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1qb8 n SER 193 N -3.02 -4.79 0.28 6.41 7.64 -1.01 -4.87 113.62 114.25 1qb8 n SER 193 Ca -0.24 -0.06 0.16 0.00 1.01 0.00 0.00 58.87 59.73 1qb8 n SER 193 Cb 0.65 -3.98 0.81 0.00 -1.01 0.00 0.00 64.21 60.69 1qb8 n SER 193 CO 0.00 0.00 0.00 0.08 -3.01 0.00 0.00 175.04 172.11 1qb8 h ARG 194 N -0.48 0.00 -0.34 1.43 0.11 -1.54 -2.08 114.38 111.48 1qb8 h ARG 194 Ca -0.41 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 59.59 1qb8 h ARG 194 Cb 1.30 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.33 1qb8 h ARG 194 CO 0.48 0.07 0.02 0.66 0.10 0.00 0.00 179.97 181.30 1qb8 n TYR 195 N -3.37 1.16 0.03 4.08 4.02 -1.26 -4.66 117.16 117.16 1qb8 n TYR 195 Ca -0.01 -1.10 0.04 0.00 -0.01 0.00 0.00 57.90 56.82 1qb8 n TYR 195 Cb 0.23 -0.40 0.44 0.00 -0.02 0.00 0.00 39.34 39.58 1qb8 n TYR 195 CO 0.00 0.00 0.00 -0.22 -1.01 0.00 0.00 176.86 175.63 1qb8 h LYS 196 N 1.68 0.47 -0.00 -0.72 3.64 -1.49 -2.25 116.57 117.90 1qb8 h LYS 196 Ca 0.09 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1qb8 h LYS 196 Cb 1.61 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 33.33 1qb8 h LYS 196 CO 0.33 0.34 -0.05 -0.25 -2.27 0.00 0.00 179.45 177.55 1qb8 n ASP 197 N -4.46 0.19 -4.66 4.20 8.00 -1.26 -4.84 116.55 113.71 1qb8 n ASP 197 Ca 0.02 -0.37 -0.43 0.00 0.71 0.00 0.00 54.79 54.72 1qb8 n ASP 197 Cb 0.08 -0.18 -0.02 0.00 -0.02 0.00 0.00 41.12 40.98 1qb8 n ASP 197 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1qb8 s ILE 198 N -2.50 3.99 0.17 0.53 -1.09 -0.85 -5.00 121.20 116.46 1qb8 s ILE 198 Ca 0.30 1.23 -0.23 0.00 -2.23 0.00 0.00 60.65 59.72 1qb8 s ILE 198 Cb 0.20 -3.79 -0.08 0.00 -1.58 0.00 0.00 42.46 37.21 1qb8 s ILE 198 CO 0.46 -0.09 0.73 -0.75 -1.23 0.00 0.00 174.94 174.06 1qb8 s LYS 199 N 3.47 4.43 -0.14 2.79 2.20 -1.26 -4.85 119.74 126.39 1qb8 s LYS 199 Ca 0.62 1.02 0.02 0.00 -0.36 0.00 0.00 55.97 57.27 1qb8 s LYS 199 Cb -0.27 -3.16 0.01 0.00 -1.51 0.00 0.00 37.83 32.90 1qb8 s LYS 199 CO 0.21 0.54 -0.20 -0.06 -0.36 0.00 0.00 175.35 175.48 1qb8 s PHE 200 N -1.23 2.50 -0.04 4.03 0.40 0.21 -1.10 117.98 122.74 1qb8 s PHE 200 Ca 0.36 -1.29 0.06 0.00 -0.60 0.00 0.00 56.93 55.46 1qb8 s PHE 200 Cb -0.21 -1.73 -0.01 0.00 0.51 0.00 0.00 43.02 41.58 1qb8 s PHE 200 CO 0.24 -0.62 -0.22 0.96 0.70 0.00 0.00 175.22 176.29 1qb8 s ILE 201 N 0.97 1.75 0.03 0.64 -4.36 -0.36 0.04 121.20 119.92 1qb8 s ILE 201 Ca -0.04 -0.91 0.04 0.00 -0.26 0.00 0.00 60.65 59.47 1qb8 s ILE 201 Cb -0.15 -1.48 -0.02 0.00 1.25 0.00 0.00 42.46 42.07 1qb8 s ILE 201 CO -0.04 0.49 -0.12 -0.55 0.24 0.00 0.00 174.94 174.96 1qb8 s SER 202 N -0.22 1.38 0.19 4.36 0.15 -0.45 -1.84 113.70 117.26 1qb8 s SER 202 Ca 0.00 -0.42 0.21 0.00 0.70 0.00 0.00 55.95 56.44 1qb8 s SER 202 Cb -0.11 -0.08 -0.00 0.00 -1.71 0.00 0.00 66.02 64.12 1qb8 s SER 202 CO 0.02 -0.00 1.05 -0.07 1.20 0.00 0.00 173.24 175.44 1qb8 h LEU 203 N 5.01 0.00 -7.04 3.45 3.38 -1.32 -2.52 115.31 116.27 1qb8 h LEU 203 Ca -0.36 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.55 1qb8 h LEU 203 Cb 1.18 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.73 1qb8 h LEU 203 CO 0.44 0.14 0.10 -0.22 0.09 0.00 0.00 178.44 179.00 1qb8 s LEU 204 N -5.56 -0.58 0.04 1.67 2.96 -0.76 -4.50 118.68 111.95 1qb8 s LEU 204 Ca -0.00 1.17 -0.08 0.00 -0.22 0.00 0.00 54.13 55.00 1qb8 s LEU 204 Cb 0.09 2.37 -0.05 0.00 0.50 0.00 0.00 46.19 49.09 1qb8 s LEU 204 CO 0.78 -0.34 0.32 -0.55 -1.32 0.00 0.00 176.35 175.24 1qb8 s SER 205 N -0.09 6.55 0.36 3.68 0.15 -1.26 -1.34 113.70 121.74 1qb8 s SER 205 Ca -0.03 0.64 0.26 0.00 0.70 0.00 0.00 55.95 57.52 1qb8 s SER 205 Cb -0.04 -2.12 1.25 0.00 -1.71 0.00 0.00 66.02 63.40 1qb8 s SER 205 CO 0.03 0.22 1.80 -2.24 1.20 0.00 0.00 173.24 174.25 1qb8 h ASP 206 N 3.86 0.00 0.73 5.45 -0.00 -1.39 -1.04 116.42 124.03 1qb8 h ASP 206 Ca -0.50 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.53 1qb8 h ASP 206 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.52 1qb8 h ASP 206 CO 0.66 0.00 0.00 -0.78 -0.00 0.00 0.00 179.24 179.12 1qb8 h ASP 207 N 0.00 0.00 0.93 4.15 3.58 -1.93 -1.43 116.42 121.71 1qb8 h ASP 207 Ca 0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 1qb8 h ASP 207 Cb 0.22 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.27 1qb8 h ASP 207 CO 0.00 0.00 -0.07 0.00 -2.88 0.00 0.00 179.24 176.29 1qb8 n ALA 208 N -2.08 2.51 -2.70 -0.78 0.00 -0.39 -4.77 120.51 112.29 1qb8 n ALA 208 Ca -0.00 -0.14 -0.39 0.00 0.00 0.00 0.00 53.44 52.91 1qb8 n ALA 208 Cb 0.24 -1.42 -0.06 0.00 0.00 0.00 0.00 19.45 18.21 1qb8 n ALA 208 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1qb8 s LEU 209 N -3.01 4.25 0.00 0.00 1.43 -0.54 -5.01 118.68 115.80 1qb8 s LEU 209 Ca 0.14 0.91 0.00 0.00 -1.03 0.00 0.00 54.13 54.15 1qb8 s LEU 209 Cb 0.19 -2.84 0.00 0.00 0.03 0.00 0.00 46.19 43.57 1qb8 s LEU 209 CO 0.56 -0.09 0.00 0.35 0.23 0.00 0.00 176.35 177.39 1qb8 n THR 210 N 3.95 0.00 0.26 5.49 -2.24 -1.26 -4.99 114.28 115.48 1qb8 n THR 210 Ca -0.04 -0.04 0.11 0.00 -2.27 0.00 0.00 64.05 61.81 1qb8 n THR 210 Cb 0.51 -0.13 0.71 0.00 -2.10 0.00 0.00 70.33 69.32 1qb8 n THR 210 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1qb8 h GLU 211 N 0.00 0.00 0.00 -0.78 4.39 -1.98 -1.03 114.58 115.18 1qb8 h GLU 211 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 1qb8 h GLU 211 Cb 0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 1qb8 h GLU 211 CO 0.01 0.10 0.00 0.93 -1.16 0.00 0.00 179.01 178.89 1qb8 h GLU 212 N 0.00 0.00 -0.02 2.33 5.08 -1.99 -0.08 114.58 119.90 1qb8 h GLU 212 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1qb8 h GLU 212 Cb 0.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.49 1qb8 h GLU 212 CO 0.01 0.00 -0.11 0.09 -1.00 0.00 0.00 179.01 178.00 1qb8 n ASN 213 N -2.96 2.01 -4.68 1.42 4.13 -0.39 -4.92 115.26 109.86 1qb8 n ASN 213 Ca -0.02 -1.58 -0.42 0.00 1.68 0.00 0.00 54.58 54.24 1qb8 n ASN 213 Cb 0.12 0.09 -0.03 0.00 -1.54 0.00 0.00 39.78 38.43 1qb8 n ASN 213 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1qb8 n GLY 215 N 3.77 0.04 3.60 0.00 0.00 0.59 -4.85 105.19 108.35 1qb8 n GLY 215 Ca 0.14 -0.53 -0.40 0.00 0.00 0.00 0.00 46.02 45.23 1qb8 n GLY 215 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1qb8 n ASP 216 N 0.14 1.00 -4.66 1.61 10.43 -1.26 -4.92 116.55 118.89 1qb8 n ASP 216 Ca 0.14 0.97 -0.42 0.00 2.57 0.00 0.00 54.79 58.05 1qb8 n ASP 216 Cb 0.43 -1.34 -0.03 0.00 1.84 0.00 0.00 41.12 42.01 1qb8 n ASP 216 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 1qb8 s SER 217 N -0.86 7.02 0.01 -2.24 0.01 -1.26 -5.00 113.70 111.38 1qb8 s SER 217 Ca 0.66 1.26 -0.30 0.00 1.31 0.00 0.00 55.95 58.88 1qb8 s SER 217 Cb -0.52 -2.49 -0.04 0.00 0.21 0.00 0.00 66.02 63.17 1qb8 s SER 217 CO 0.55 -0.52 1.07 -0.54 0.41 0.00 0.00 173.24 174.21 1qb8 s LYS 218 N 2.64 4.49 -1.22 12.44 1.02 -1.26 -3.66 119.74 134.19 1qb8 s LYS 218 Ca 0.41 1.56 -0.03 0.00 0.02 0.00 0.00 55.97 57.93 1qb8 s LYS 218 Cb -0.16 -3.43 0.00 0.00 -0.52 0.00 0.00 37.83 33.72 1qb8 s LYS 218 CO 0.10 -0.16 0.41 0.09 -0.92 0.00 0.00 175.35 174.86 1qb8 n ASN 219 N 4.05 -5.04 -4.83 2.83 3.02 -1.26 -5.02 115.26 109.00 1qb8 n ASN 219 Ca 0.07 -0.19 -0.37 0.00 -0.03 0.00 0.00 54.58 54.07 1qb8 n ASN 219 Cb 0.49 -3.93 -0.07 0.00 -0.61 0.00 0.00 39.78 35.66 1qb8 n ASN 219 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1qb8 s TYR 220 N -3.00 3.50 0.00 3.10 6.14 -1.24 -5.01 117.35 120.85 1qb8 s TYR 220 Ca 0.20 0.45 0.00 0.00 0.64 0.00 0.00 57.07 58.36 1qb8 s TYR 220 Cb -0.09 -1.92 0.00 0.00 0.42 0.00 0.00 41.96 40.37 1qb8 s TYR 220 CO 0.25 0.67 0.23 0.25 0.64 0.00 0.00 175.55 177.59 1qb8 n THR 221 N 2.07 0.00 -1.18 4.34 -2.24 -1.26 -5.07 114.28 110.94 1qb8 n THR 221 Ca -0.20 -0.33 -0.13 0.00 -2.27 0.00 0.00 64.05 61.12 1qb8 n THR 221 Cb 0.55 1.23 0.10 0.00 -2.10 0.00 0.00 70.33 70.10 1qb8 n THR 221 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1qb8 n GLY 222 N 0.20 -1.72 3.80 3.38 0.00 -1.26 -5.04 105.19 104.55 1qb8 n GLY 222 Ca 0.00 -1.61 -0.31 0.00 0.00 0.00 0.00 46.02 44.10 1qb8 n GLY 222 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1qb8 s PRO 223 N -4.20 2.68 0.14 1.61 0.04 -1.26 -4.98 135.00 129.03 1qb8 s PRO 223 Ca 0.32 1.03 0.03 0.00 0.04 0.00 0.00 61.00 62.42 1qb8 s PRO 223 Cb -0.02 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.48 1qb8 s PRO 223 CO 0.23 -1.30 1.33 -0.09 0.04 0.00 0.00 177.00 177.21 1qb8 h ARG 224 N -0.87 0.14 -5.45 4.56 2.43 -1.97 -3.44 114.38 109.78 1qb8 h ARG 224 Ca -0.44 -0.18 -0.67 0.00 -0.81 0.00 0.00 59.98 57.89 1qb8 h ARG 224 Cb 1.22 0.06 -0.28 0.00 -0.42 0.00 0.00 29.97 30.54 1qb8 h ARG 224 CO 0.55 0.99 -0.80 0.08 -1.51 0.00 0.00 179.97 179.28 1qb8 s VAL 225 N -3.00 2.77 0.01 0.20 1.01 -1.26 -5.12 120.40 115.01 1qb8 s VAL 225 Ca -0.02 -0.77 0.08 0.00 0.00 0.00 0.00 61.98 61.27 1qb8 s VAL 225 Cb 0.10 -2.13 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 1qb8 s VAL 225 CO 0.83 0.54 -0.23 -0.76 0.00 0.00 0.00 175.10 175.48 1qb8 s LEU 226 N 0.22 2.28 0.70 3.92 1.43 -1.26 -5.14 118.68 120.84 1qb8 s LEU 226 Ca -0.10 -0.46 -0.11 0.00 -1.03 0.00 0.00 54.13 52.42 1qb8 s LEU 226 Cb -0.16 -1.39 0.01 0.00 0.03 0.00 0.00 46.19 44.69 1qb8 s LEU 226 CO 0.06 0.29 1.07 -0.94 0.23 0.00 0.00 176.35 177.07 1qb8 s SER 227 N -0.96 5.41 0.18 2.29 1.04 -1.26 -4.92 113.70 115.47 1qb8 s SER 227 Ca 0.12 1.33 -0.13 0.00 0.48 0.00 0.00 55.95 57.74 1qb8 s SER 227 Cb -0.10 -2.19 0.11 0.00 0.10 0.00 0.00 66.02 63.94 1qb8 s SER 227 CO 0.01 -1.39 1.83 0.00 0.98 0.00 0.00 173.24 174.68 1qb8 h GLY 229 N 0.71 1.41 1.36 0.00 0.00 -1.99 0.29 103.07 104.86 1qb8 h GLY 229 Ca 0.22 -0.42 -0.12 0.00 0.00 0.00 0.00 47.33 47.01 1qb8 h GLY 229 CO -0.08 0.29 -0.27 -0.55 0.00 0.00 0.00 176.54 175.93 1qb8 h ASP 230 N 1.06 0.75 -0.05 0.19 3.45 -1.87 -2.60 116.42 117.34 1qb8 h ASP 230 Ca 0.41 -0.28 -0.17 0.00 0.43 0.00 0.00 57.03 57.41 1qb8 h ASP 230 Cb 0.19 -0.21 -0.00 0.00 -0.56 0.00 0.00 39.33 38.75 1qb8 h ASP 230 CO -0.18 0.98 -0.58 0.58 -1.57 0.00 0.00 179.24 178.47 1qb8 h VAL 231 N 0.63 1.31 -0.24 -1.35 2.07 -1.08 -2.95 116.25 114.64 1qb8 h VAL 231 Ca 0.08 -1.82 -0.01 0.00 0.82 0.00 0.00 66.70 65.78 1qb8 h VAL 231 Cb 0.78 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 1qb8 h VAL 231 CO 0.06 0.57 0.12 -0.07 0.02 0.00 0.00 177.57 178.27 1qb8 h LEU 232 N 0.49 0.29 -0.04 2.57 3.38 -0.81 -1.48 115.31 119.70 1qb8 h LEU 232 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1qb8 h LEU 232 Cb 1.15 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1qb8 h LEU 232 CO 0.11 0.25 0.00 0.00 0.09 0.00 0.00 178.44 178.89 1qb8 n ALA 233 N -2.50 1.87 1.38 1.53 0.00 -0.99 -2.91 120.51 118.89 1qb8 n ALA 233 Ca 0.01 -0.05 0.14 0.00 0.00 0.00 0.00 53.44 53.53 1qb8 n ALA 233 Cb 0.11 -1.32 0.57 0.00 0.00 0.00 0.00 19.45 18.81 1qb8 n ALA 233 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1qb8 n GLU 234 N -1.57 0.73 -3.79 0.00 1.02 -0.56 -4.89 120.64 111.59 1qb8 n GLU 234 Ca 0.04 -0.29 -0.12 0.00 -0.02 0.00 0.00 57.16 56.78 1qb8 n GLU 234 Cb 0.23 -1.49 -0.08 0.00 -0.02 0.00 0.00 31.44 30.07 1qb8 n GLU 234 CO 0.00 0.00 0.00 -3.38 1.18 0.00 0.00 177.13 174.93 1qb8 s HIS 235 N -2.47 -0.09 0.12 -0.32 -3.43 -1.14 -5.14 115.29 102.82 1qb8 s HIS 235 Ca 0.28 0.02 -0.31 0.00 -0.80 0.00 0.00 55.06 54.26 1qb8 s HIS 235 Cb 0.20 0.06 -0.10 0.00 -1.43 0.00 0.00 32.58 31.31 1qb8 s HIS 235 CO 0.48 -0.42 1.71 -2.14 -2.00 0.00 0.00 174.74 172.36 1qb8 s PRO 236 N -1.97 4.17 0.00 -0.38 0.02 -1.26 -4.94 135.00 130.64 1qb8 s PRO 236 Ca -0.09 2.46 0.00 0.00 0.02 0.00 0.00 61.00 63.39 1qb8 s PRO 236 Cb -0.03 -3.47 0.00 0.00 0.02 0.00 0.00 34.50 31.02 1qb8 s PRO 236 CO -0.00 -0.76 0.00 -2.39 -0.33 0.00 0.00 177.00 173.52