#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qbm n VAL 2 N 0.00 3.29 -3.66 2.62 0.31 -1.26 -4.48 118.33 115.14 1qbm n VAL 2 Ca 0.00 -0.50 -0.07 0.00 -0.01 0.00 0.00 64.34 63.76 1qbm n VAL 2 Cb 0.00 -1.76 -0.08 0.00 -0.91 0.00 0.00 33.84 31.09 1qbm n VAL 2 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 1qbm s GLN 3 N -2.65 0.48 -0.31 5.55 -1.52 -0.41 -4.98 119.66 115.82 1qbm s GLN 3 Ca 0.66 1.08 -0.05 0.00 -1.95 0.00 0.00 55.36 55.11 1qbm s GLN 3 Cb -0.43 0.28 0.03 0.00 -0.22 0.00 0.00 33.01 32.67 1qbm s GLN 3 CO 0.54 -0.19 0.05 -0.51 -0.25 0.00 0.00 175.29 174.92 1qbm s LEU 4 N 2.07 3.94 -0.21 2.90 1.02 -1.26 -0.63 118.68 126.51 1qbm s LEU 4 Ca -0.07 -1.04 -0.10 0.00 0.02 0.00 0.00 54.13 52.94 1qbm s LEU 4 Cb -0.09 -1.80 -0.05 0.00 0.02 0.00 0.00 46.19 44.27 1qbm s LEU 4 CO -0.16 -0.25 0.15 -1.10 0.02 0.00 0.00 176.35 175.01 1qbm s GLN 5 N 1.37 4.15 0.17 1.70 -1.52 0.15 -3.94 119.66 121.73 1qbm s GLN 5 Ca -0.01 -0.23 0.06 0.00 -1.95 0.00 0.00 55.36 53.23 1qbm s GLN 5 Cb -0.19 -3.47 -0.04 0.00 -0.22 0.00 0.00 33.01 29.10 1qbm s GLN 5 CO 0.01 0.21 0.06 -0.65 -0.25 0.00 0.00 175.29 174.67 1qbm s GLN 6 N 0.63 2.65 1.09 2.91 -0.21 -1.26 -0.12 119.66 125.34 1qbm s GLN 6 Ca 0.08 -0.98 -0.15 0.00 0.02 0.00 0.00 55.36 54.33 1qbm s GLN 6 Cb -0.12 -2.50 0.15 0.00 1.00 0.00 0.00 33.01 31.54 1qbm s GLN 6 CO 0.01 0.47 0.48 0.43 -2.12 0.00 0.00 175.29 174.56 1qbm n SER 7 N -0.20 -1.89 -3.00 5.90 7.64 -1.11 -4.96 113.62 116.00 1qbm n SER 7 Ca -0.09 -0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.64 1qbm n SER 7 Cb 0.55 -1.14 0.12 0.00 -1.01 0.00 0.00 64.21 62.73 1qbm n SER 7 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qbm n GLY 8 N 1.47 -2.30 3.70 0.23 0.00 -1.26 -4.60 105.19 102.43 1qbm n GLY 8 Ca 0.03 -1.52 -0.33 0.00 0.00 0.00 0.00 46.02 44.20 1qbm n GLY 8 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qbm s ALA 9 N -3.24 1.81 -0.01 4.61 0.00 -1.26 -4.62 121.76 119.06 1qbm s ALA 9 Ca 0.35 0.79 0.05 0.00 0.00 0.00 0.00 51.96 53.16 1qbm s ALA 9 Cb -0.03 -3.48 -0.01 0.00 0.00 0.00 0.00 23.12 19.60 1qbm s ALA 9 CO 0.26 -2.32 -0.17 -1.21 0.00 0.00 0.00 175.76 172.32 1qbm s GLU 10 N -4.22 1.38 -0.11 0.00 0.41 -0.41 -4.93 118.70 110.82 1qbm s GLU 10 Ca 0.72 -0.65 0.02 0.00 -0.41 0.00 0.00 54.97 54.65 1qbm s GLU 10 Cb -0.27 -1.35 -0.01 0.00 -1.78 0.00 0.00 34.13 30.72 1qbm s GLU 10 CO 0.51 0.37 -0.17 -1.17 -0.49 0.00 0.00 175.26 174.31 1qbm s LEU 11 N -0.49 2.48 0.07 1.80 0.20 -1.26 -1.69 118.68 119.79 1qbm s LEU 11 Ca 0.06 -0.40 -0.18 0.00 0.69 0.00 0.00 54.13 54.31 1qbm s LEU 11 Cb -0.07 -1.53 0.04 0.00 -0.43 0.00 0.00 46.19 44.20 1qbm s LEU 11 CO -0.00 0.19 0.42 0.68 -0.29 0.00 0.00 176.35 177.34 1qbm s VAL 12 N 0.20 0.06 0.23 1.68 -7.23 -1.14 -5.01 120.40 109.19 1qbm s VAL 12 Ca -0.11 -0.48 -0.03 0.00 -1.81 0.00 0.00 61.98 59.56 1qbm s VAL 12 Cb -0.16 -1.02 -0.05 0.00 0.56 0.00 0.00 36.38 35.72 1qbm s VAL 12 CO 0.06 -0.26 0.46 -0.54 -0.31 0.00 0.00 175.10 174.50 1qbm s LYS 13 N -2.88 3.57 0.48 4.82 1.02 -1.26 -0.44 119.74 125.05 1qbm s LYS 13 Ca -0.03 -0.19 -0.21 0.00 0.02 0.00 0.00 55.97 55.56 1qbm s LYS 13 Cb 0.00 -2.76 -0.10 0.00 -0.52 0.00 0.00 37.83 34.45 1qbm s LYS 13 CO -0.05 0.33 0.75 -2.30 -0.92 0.00 0.00 175.35 173.16 1qbm n PRO 14 N -0.74 0.86 0.00 -1.68 -0.02 -1.26 -1.05 135.00 131.10 1qbm n PRO 14 Ca -0.03 0.32 0.00 0.00 -2.02 0.00 0.00 63.50 61.76 1qbm n PRO 14 Cb 0.54 -1.82 0.00 0.00 -0.02 0.00 0.00 33.50 32.20 1qbm n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1qbm n GLY 15 N 1.51 2.63 0.00 -1.23 0.00 0.18 -4.81 105.19 103.47 1qbm n GLY 15 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1qbm n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qbm n ALA 16 N -0.03 0.00 -3.28 4.61 0.00 -0.22 -3.69 120.51 117.90 1qbm n ALA 16 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1qbm n ALA 16 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 1qbm n ALA 16 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1qbm s SER 17 N -1.67 -0.29 0.23 0.00 0.01 -1.26 -1.41 113.70 109.30 1qbm s SER 17 Ca 0.00 0.55 0.10 0.00 1.31 0.00 0.00 55.95 57.91 1qbm s SER 17 Cb 0.00 0.53 -0.05 0.00 0.21 0.00 0.00 66.02 66.71 1qbm s SER 17 CO 0.00 -0.11 -0.18 0.54 0.41 0.00 0.00 173.24 173.90 1qbm s VAL 18 N 0.40 2.06 -0.17 3.43 0.11 -0.58 -4.97 120.40 120.68 1qbm s VAL 18 Ca -0.02 -2.23 -0.02 0.00 -2.93 0.00 0.00 61.98 56.78 1qbm s VAL 18 Cb -0.04 -2.11 0.05 0.00 -1.53 0.00 0.00 36.38 32.75 1qbm s VAL 18 CO -0.02 -0.45 0.02 -0.75 -3.33 0.00 0.00 175.10 170.57 1qbm s LYS 19 N -3.40 0.73 -0.03 1.54 2.20 -1.26 -1.33 119.74 118.19 1qbm s LYS 19 Ca 0.24 -0.36 -0.13 0.00 -0.36 0.00 0.00 55.97 55.36 1qbm s LYS 19 Cb -0.04 -1.95 -0.05 0.00 -1.51 0.00 0.00 37.83 34.29 1qbm s LYS 19 CO 0.10 -0.57 0.34 -0.51 -0.36 0.00 0.00 175.35 174.35 1qbm s LEU 20 N 1.85 4.45 0.27 5.43 1.43 -0.49 -4.93 118.68 126.68 1qbm s LEU 20 Ca -0.00 0.84 0.00 0.00 -1.03 0.00 0.00 54.13 53.94 1qbm s LEU 20 Cb -0.16 -2.46 -0.04 0.00 0.03 0.00 0.00 46.19 43.56 1qbm s LEU 20 CO -0.07 0.34 0.46 -0.44 0.23 0.00 0.00 176.35 176.87 1qbm s SER 21 N -1.08 6.35 -0.28 2.29 0.01 -1.26 -2.45 113.70 117.28 1qbm s SER 21 Ca 0.22 0.39 0.01 0.00 1.31 0.00 0.00 55.95 57.87 1qbm s SER 21 Cb -0.15 -2.00 0.17 0.00 0.21 0.00 0.00 66.02 64.24 1qbm s SER 21 CO 0.11 -0.15 0.48 0.00 0.41 0.00 0.00 173.24 174.09 1qbm s THR 23 N 2.67 4.64 -0.08 0.00 2.01 0.82 -1.20 115.64 124.50 1qbm s THR 23 Ca 0.13 -0.22 0.03 0.00 0.31 0.00 0.00 61.69 61.95 1qbm s THR 23 Cb -0.13 -3.01 -0.02 0.00 0.01 0.00 0.00 72.50 69.34 1qbm s THR 23 CO -0.23 0.53 -0.17 0.00 -0.69 0.00 0.00 174.62 174.06 1qbm s ALA 24 N -1.00 2.49 0.07 7.40 0.00 -0.72 0.33 121.76 130.32 1qbm s ALA 24 Ca 0.16 -0.97 0.08 0.00 0.00 0.00 0.00 51.96 51.23 1qbm s ALA 24 Cb -0.12 -0.96 -0.03 0.00 0.00 0.00 0.00 23.12 22.02 1qbm s ALA 24 CO 0.06 0.41 -0.21 -1.54 0.00 0.00 0.00 175.76 174.48 1qbm s SER 25 N -0.17 2.51 0.00 0.00 1.04 0.20 -4.72 113.70 112.55 1qbm s SER 25 Ca -0.01 -0.59 0.00 0.00 0.48 0.00 0.00 55.95 55.83 1qbm s SER 25 Cb -0.14 -0.18 0.00 0.00 0.10 0.00 0.00 66.02 65.80 1qbm s SER 25 CO 0.03 0.12 0.00 0.61 0.98 0.00 0.00 173.24 174.99 1qbm n GLY 26 N 1.55 0.54 0.00 7.32 0.00 -1.26 -1.29 105.19 112.05 1qbm n GLY 26 Ca -0.18 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1qbm n GLY 26 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1qbm n PHE 27 N -2.89 0.00 -2.98 1.61 -1.74 -1.26 -4.54 117.46 105.66 1qbm n PHE 27 Ca 0.00 0.00 -0.41 0.00 -0.56 0.00 0.00 57.45 56.48 1qbm n PHE 27 Cb 0.00 0.00 -0.05 0.00 1.52 0.00 0.00 39.48 40.95 1qbm n PHE 27 CO 0.00 0.00 0.00 1.21 -0.56 0.00 0.00 176.76 177.41 1qbm s ASN 28 N 0.00 6.83 0.66 5.98 2.47 -1.26 -4.88 114.94 124.73 1qbm s ASN 28 Ca 0.00 1.02 0.34 0.00 0.42 0.00 0.00 52.86 54.64 1qbm s ASN 28 Cb 0.00 -2.41 1.86 0.00 -1.45 0.00 0.00 41.25 39.25 1qbm s ASN 28 CO 0.00 -0.36 2.07 0.16 -3.72 0.00 0.00 177.10 175.25 1qbm h ILE 29 N 5.22 0.07 -0.00 -5.21 3.07 -1.91 -0.94 117.51 117.81 1qbm h ILE 29 Ca -0.29 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.12 1qbm h ILE 29 Cb 1.13 0.78 0.00 0.00 -0.27 0.00 0.00 36.82 38.46 1qbm h ILE 29 CO 0.81 0.00 -0.00 2.29 -1.05 0.00 0.00 178.15 180.20 1qbm n LYS 30 N -3.09 1.00 0.00 0.16 2.85 -1.26 -3.00 118.16 114.82 1qbm n LYS 30 Ca -0.01 -0.09 0.15 0.00 -1.05 0.00 0.00 58.31 57.30 1qbm n LYS 30 Cb 0.30 -1.50 0.68 0.00 -0.65 0.00 0.00 35.03 33.86 1qbm n LYS 30 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1qbm n ASP 31 N -0.93 0.56 -2.41 -5.58 8.00 -0.36 -4.45 116.55 111.38 1qbm n ASP 31 Ca 0.22 -0.87 -0.09 0.00 0.71 0.00 0.00 54.79 54.77 1qbm n ASP 31 Cb 0.15 -0.04 -0.01 0.00 -0.02 0.00 0.00 41.12 41.20 1qbm n ASP 31 CO 0.00 0.00 0.00 1.07 -0.39 0.00 0.00 177.20 177.88 1qbm n THR 32 N -0.74 0.00 -3.95 -3.53 5.66 -1.16 -5.00 114.28 105.56 1qbm n THR 32 Ca 0.18 -1.11 -0.36 0.00 -3.05 0.00 0.00 64.05 59.71 1qbm n THR 32 Cb 0.25 0.78 -0.08 0.00 -1.55 0.00 0.00 70.33 69.73 1qbm n THR 32 CO 0.00 0.00 0.00 -0.31 -3.05 0.00 0.00 175.07 171.71 1qbm s TYR 33 N -3.67 3.43 -0.16 1.09 2.02 -0.83 -4.35 117.35 114.88 1qbm s TYR 33 Ca 0.18 0.36 -0.16 0.00 -0.37 0.00 0.00 57.07 57.07 1qbm s TYR 33 Cb -0.02 -1.99 -0.04 0.00 -0.40 0.00 0.00 41.96 39.52 1qbm s TYR 33 CO 0.13 0.50 0.41 -1.64 -1.57 0.00 0.00 175.55 173.39 1qbm s MET 34 N -0.48 4.27 0.30 -0.62 -1.94 -0.67 -1.40 119.30 118.76 1qbm s MET 34 Ca 0.11 0.29 0.10 0.00 -1.71 0.00 0.00 55.69 54.48 1qbm s MET 34 Cb -0.12 -3.47 -0.05 0.00 2.01 0.00 0.00 34.83 33.21 1qbm s MET 34 CO 0.02 0.11 -0.02 -1.01 -0.01 0.00 0.00 175.02 174.11 1qbm s HIS 35 N 0.82 2.58 -0.05 -0.03 0.09 0.78 -0.83 115.29 118.65 1qbm s HIS 35 Ca 0.22 -0.32 0.01 0.00 -0.00 0.00 0.00 55.06 54.97 1qbm s HIS 35 Cb -0.14 -1.28 0.02 0.00 -0.00 0.00 0.00 32.58 31.17 1qbm s HIS 35 CO 0.08 0.57 -0.07 -1.58 -0.00 0.00 0.00 174.74 173.75 1qbm s TRP 36 N -2.42 0.92 -0.03 1.40 0.52 -0.51 -1.04 118.94 117.79 1qbm s TRP 36 Ca 0.33 -0.29 0.03 0.00 0.02 0.00 0.00 56.10 56.19 1qbm s TRP 36 Cb -0.04 -0.76 0.00 0.00 -1.15 0.00 0.00 33.47 31.52 1qbm s TRP 36 CO 0.19 -0.21 -0.10 0.08 0.02 0.00 0.00 176.95 176.94 1qbm s VAL 37 N 0.81 0.86 -0.02 4.03 1.01 0.97 -1.38 120.40 126.69 1qbm s VAL 37 Ca -0.12 -0.41 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 1qbm s VAL 37 Cb -0.15 -0.76 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 1qbm s VAL 37 CO 0.01 0.26 0.10 -0.75 0.00 0.00 0.00 175.10 174.73 1qbm s LYS 38 N 0.15 3.16 -0.29 2.72 2.20 0.88 -0.36 119.74 128.20 1qbm s LYS 38 Ca -0.03 -0.42 -0.03 0.00 -0.36 0.00 0.00 55.97 55.13 1qbm s LYS 38 Cb -0.09 -2.93 0.11 0.00 -1.51 0.00 0.00 37.83 33.41 1qbm s LYS 38 CO 0.01 0.66 0.16 -1.14 -0.36 0.00 0.00 175.35 174.68 1qbm s GLN 39 N -1.69 0.22 0.62 4.03 0.74 0.06 -0.31 119.66 123.34 1qbm s GLN 39 Ca 0.23 -0.50 -0.18 0.00 0.05 0.00 0.00 55.36 54.96 1qbm s GLN 39 Cb -0.12 -1.09 -0.03 0.00 1.10 0.00 0.00 33.01 32.88 1qbm s GLN 39 CO 0.14 -1.03 1.24 1.03 -0.55 0.00 0.00 175.29 176.12 1qbm s ARG 40 N 2.11 2.80 -0.34 1.67 0.52 -1.25 -1.22 118.95 123.23 1qbm s ARG 40 Ca 0.09 1.92 -0.39 0.00 -0.52 0.00 0.00 55.73 56.83 1qbm s ARG 40 Cb -0.16 -1.89 -0.15 0.00 0.52 0.00 0.00 34.95 33.27 1qbm s ARG 40 CO -0.35 -1.37 1.96 -2.30 0.02 0.00 0.00 175.30 173.26 1qbm n PRO 41 N -1.73 0.94 -2.02 3.54 -0.02 -1.26 -0.69 135.00 133.75 1qbm n PRO 41 Ca 0.14 0.31 -0.15 0.00 -2.02 0.00 0.00 63.50 61.78 1qbm n PRO 41 Cb 0.49 -2.13 -0.03 0.00 -0.02 0.00 0.00 33.50 31.81 1qbm n PRO 41 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1qbm n GLU 42 N 6.66 -1.18 -4.55 -0.52 -0.58 -1.26 -5.00 120.64 114.21 1qbm n GLU 42 Ca 0.36 0.84 -0.27 0.00 -0.42 0.00 0.00 57.16 57.67 1qbm n GLU 42 Cb 0.13 -5.13 -0.08 0.00 -0.57 0.00 0.00 31.44 25.80 1qbm n GLU 42 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 1qbm s LYS 43 N -4.30 2.02 1.33 3.49 1.02 0.13 -5.16 119.74 118.27 1qbm s LYS 43 Ca 0.00 -2.25 -0.21 0.00 0.02 0.00 0.00 55.97 53.52 1qbm s LYS 43 Cb 0.00 -0.66 0.33 0.00 -0.52 0.00 0.00 37.83 36.98 1qbm s LYS 43 CO 0.00 -0.52 1.02 0.20 -0.92 0.00 0.00 175.35 175.13 1qbm s GLY 44 N -3.66 1.50 -0.26 -3.33 0.00 -1.26 -4.52 107.32 95.78 1qbm s GLY 44 Ca 0.20 -0.90 -0.16 0.00 0.00 0.00 0.00 44.72 43.86 1qbm s GLY 44 CO 0.14 0.06 0.41 1.08 0.00 0.00 0.00 173.10 174.78 1qbm s LEU 45 N -7.44 4.05 -0.20 0.66 1.43 -1.26 -3.91 118.68 112.01 1qbm s LEU 45 Ca 0.70 0.35 -0.04 0.00 -1.03 0.00 0.00 54.13 54.12 1qbm s LEU 45 Cb -0.11 -2.48 -0.01 0.00 0.03 0.00 0.00 46.19 43.61 1qbm s LEU 45 CO 0.57 -0.20 -0.05 -1.61 0.23 0.00 0.00 176.35 175.29 1qbm s GLU 46 N 2.09 3.42 -0.26 1.70 2.02 0.58 -4.95 118.70 123.30 1qbm s GLU 46 Ca 0.17 -0.62 -0.29 0.00 0.02 0.00 0.00 54.97 54.25 1qbm s GLU 46 Cb -0.16 -2.97 0.01 0.00 0.10 0.00 0.00 34.13 31.11 1qbm s GLU 46 CO 0.10 -0.11 1.12 -0.46 0.02 0.00 0.00 175.26 175.93 1qbm s TRP 47 N 1.24 3.11 -0.13 1.61 -0.00 -1.26 -0.08 118.94 123.42 1qbm s TRP 47 Ca 0.03 1.22 -0.29 0.00 -0.00 0.00 0.00 56.10 57.06 1qbm s TRP 47 Cb -0.14 -3.54 -0.25 0.00 -0.00 0.00 0.00 33.47 29.53 1qbm s TRP 47 CO -0.01 -0.94 0.80 0.82 -0.00 0.00 0.00 176.95 177.61 1qbm h ILE 48 N 5.62 1.75 0.00 5.86 2.04 -1.58 -3.41 117.51 127.80 1qbm h ILE 48 Ca -0.22 -2.25 0.00 0.00 1.00 0.00 0.00 64.86 63.40 1qbm h ILE 48 Cb 1.07 3.28 0.00 0.00 -0.74 0.00 0.00 36.82 40.43 1qbm h ILE 48 CO 1.00 0.58 0.00 0.61 0.00 0.00 0.00 178.15 180.34 1qbm n GLY 49 N 1.50 -1.78 3.14 5.37 0.00 -1.16 -1.27 105.19 111.00 1qbm n GLY 49 Ca -0.10 -1.12 -0.09 0.00 0.00 0.00 0.00 46.02 44.71 1qbm n GLY 49 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1qbm s ARG 50 N -1.73 0.88 -0.05 1.61 1.70 -0.57 -1.42 118.95 119.36 1qbm s ARG 50 Ca 0.00 -1.40 -0.00 0.00 -0.47 0.00 0.00 55.73 53.86 1qbm s ARG 50 Cb 0.00 0.24 0.03 0.00 -0.57 0.00 0.00 34.95 34.64 1qbm s ARG 50 CO 0.00 -0.24 -0.00 -1.50 -1.08 0.00 0.00 175.30 172.48 1qbm s ILE 51 N -4.03 0.33 -0.74 4.99 -1.16 -0.01 -1.81 121.20 118.77 1qbm s ILE 51 Ca 0.21 0.08 -0.24 0.00 -0.51 0.00 0.00 60.65 60.20 1qbm s ILE 51 Cb 0.08 -0.45 0.06 0.00 0.61 0.00 0.00 42.46 42.76 1qbm s ILE 51 CO -0.00 0.22 1.12 -0.62 -2.81 0.00 0.00 174.94 172.84 1qbm s ASP 52 N 1.51 6.24 0.55 4.50 -1.08 0.44 -1.66 116.67 127.17 1qbm s ASP 52 Ca -0.02 -0.97 0.30 0.00 -0.52 0.00 0.00 52.55 51.33 1qbm s ASP 52 Cb -0.13 -2.47 1.46 0.00 -1.46 0.00 0.00 42.92 40.32 1qbm s ASP 52 CO -0.03 -1.53 1.91 -0.65 0.52 0.00 0.00 175.17 175.38 1qbm h PRO 53 N 9.66 0.00 0.15 4.34 0.11 -1.81 0.31 132.00 144.76 1qbm h PRO 53 Ca -0.20 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.90 1qbm h PRO 53 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1qbm h PRO 53 CO 1.23 0.00 -0.07 0.00 -0.21 0.00 0.00 178.00 178.94 1qbm h ALA 54 N 1.55 -0.21 0.00 -0.75 0.00 -1.87 -3.34 119.26 114.64 1qbm h ALA 54 Ca 0.34 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1qbm h ALA 54 Cb 1.45 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1qbm h ALA 54 CO -0.00 -0.54 -0.97 -1.13 0.00 0.00 0.00 179.25 176.61 1qbm n SER 55 N -5.11 0.97 0.00 0.00 3.41 -0.75 -4.95 113.62 107.19 1qbm n SER 55 Ca -0.09 -0.95 0.00 0.00 -0.26 0.00 0.00 58.87 57.57 1qbm n SER 55 Cb 0.16 0.96 0.00 0.00 -0.26 0.00 0.00 64.21 65.07 1qbm n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1qbm n GLY 56 N 1.50 0.67 3.61 5.00 0.00 0.10 -4.95 105.19 111.13 1qbm n GLY 56 Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 1qbm n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1qbm s ASN 57 N -2.54 6.13 0.03 1.61 3.04 -1.23 -4.80 114.94 117.19 1qbm s ASN 57 Ca 0.00 1.31 0.04 0.00 0.04 0.00 0.00 52.86 54.26 1qbm s ASN 57 Cb 0.00 -2.53 -0.04 0.00 -1.54 0.00 0.00 41.25 37.14 1qbm s ASN 57 CO 0.00 -1.52 -0.06 0.42 -3.04 0.00 0.00 177.10 172.90 1qbm s THR 58 N 6.09 3.66 0.01 -5.21 -4.23 -1.26 -0.42 115.64 114.28 1qbm s THR 58 Ca 0.74 -0.89 0.02 0.00 -1.18 0.00 0.00 61.69 60.38 1qbm s THR 58 Cb -0.22 -2.63 -0.01 0.00 1.34 0.00 0.00 72.50 70.98 1qbm s THR 58 CO 0.32 0.31 -0.07 -0.54 -0.54 0.00 0.00 174.62 174.10 1qbm s LYS 59 N -1.68 0.51 0.29 3.99 3.01 -0.75 -4.99 119.74 120.12 1qbm s LYS 59 Ca 0.19 -0.43 0.02 0.00 -1.01 0.00 0.00 55.97 54.74 1qbm s LYS 59 Cb -0.11 -0.42 -0.05 0.00 -1.01 0.00 0.00 37.83 36.24 1qbm s LYS 59 CO 0.10 0.10 0.10 0.71 0.51 0.00 0.00 175.35 176.87 1qbm s TYR 60 N -0.61 1.68 -0.15 3.18 2.02 -1.26 -1.51 117.35 120.69 1qbm s TYR 60 Ca -0.02 -1.15 -0.18 0.00 -0.37 0.00 0.00 57.07 55.35 1qbm s TYR 60 Cb -0.05 -1.02 -0.04 0.00 -0.40 0.00 0.00 41.96 40.45 1qbm s TYR 60 CO 0.00 -0.26 0.48 0.34 -1.57 0.00 0.00 175.55 174.54 1qbm s ASP 61 N -3.39 6.62 0.38 2.29 -1.08 -0.40 -4.95 116.67 116.14 1qbm s ASP 61 Ca 0.36 0.74 0.22 0.00 -0.52 0.00 0.00 52.55 53.35 1qbm s ASP 61 Cb 0.07 -2.28 1.33 0.00 -1.46 0.00 0.00 42.92 40.59 1qbm s ASP 61 CO 0.15 -0.06 1.59 -0.65 0.52 0.00 0.00 175.17 176.72 1qbm h PRO 62 N 7.01 0.05 -0.09 4.34 0.11 -1.95 0.26 132.00 141.72 1qbm h PRO 62 Ca -0.38 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.75 1qbm h PRO 62 Cb 1.17 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1qbm h PRO 62 CO 0.75 0.03 0.08 0.87 -0.21 0.00 0.00 178.00 179.52 1qbm h LYS 63 N 0.05 0.00 -0.12 1.05 1.57 -1.96 -2.09 116.57 115.07 1qbm h LYS 63 Ca 0.84 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.62 1qbm h LYS 63 Cb 2.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.56 1qbm h LYS 63 CO -0.70 0.00 0.00 1.19 -0.57 0.00 0.00 179.45 179.37 1qbm n PHE 64 N -4.06 0.13 -0.26 -1.35 3.72 0.87 -4.62 117.46 111.89 1qbm n PHE 64 Ca -0.01 -0.09 0.07 0.00 -0.05 0.00 0.00 57.45 57.37 1qbm n PHE 64 Cb 0.19 -0.00 0.20 0.00 -0.94 0.00 0.00 39.48 38.92 1qbm n PHE 64 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 1qbm h GLN 65 N 3.26 0.23 0.00 -1.08 3.07 -1.08 0.54 115.11 120.06 1qbm h GLN 65 Ca 0.00 -0.01 -0.15 0.00 0.09 0.00 0.00 58.65 58.58 1qbm h GLN 65 Cb 0.73 -0.05 -0.03 0.00 0.08 0.00 0.00 27.48 28.21 1qbm h GLN 65 CO 0.00 0.16 -1.81 -0.40 0.09 0.00 0.00 178.83 176.86 1qbm n ASP 66 N -5.19 0.36 0.08 0.06 5.68 -1.26 -4.30 116.55 111.98 1qbm n ASP 66 Ca 0.16 0.15 -0.13 0.00 -0.50 0.00 0.00 54.79 54.47 1qbm n ASP 66 Cb 0.50 1.00 -0.13 0.00 -1.14 0.00 0.00 41.12 41.35 1qbm n ASP 66 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 1qbm h LYS 67 N 0.00 0.17 -6.19 0.11 1.63 -1.67 -3.45 116.57 107.16 1qbm h LYS 67 Ca -0.19 -0.28 -0.57 0.00 -0.85 0.00 0.00 60.65 58.75 1qbm h LYS 67 Cb 1.51 0.11 -0.10 0.00 -0.60 0.00 0.00 32.23 33.14 1qbm h LYS 67 CO 0.02 1.10 -0.66 0.00 -3.45 0.00 0.00 179.45 176.46 1qbm s ALA 68 N -2.67 3.09 -0.26 5.00 0.00 0.18 -1.66 121.76 125.46 1qbm s ALA 68 Ca -0.03 -1.72 -0.04 0.00 0.00 0.00 0.00 51.96 50.18 1qbm s ALA 68 Cb 0.08 -0.65 0.14 0.00 0.00 0.00 0.00 23.12 22.69 1qbm s ALA 68 CO 0.86 0.25 0.47 0.99 0.00 0.00 0.00 175.76 178.33 1qbm s THR 69 N -2.37 -0.76 -0.14 0.00 2.01 -0.59 -4.74 115.64 109.04 1qbm s THR 69 Ca 0.31 0.00 -0.07 0.00 0.31 0.00 0.00 61.69 62.25 1qbm s THR 69 Cb -0.06 -0.85 -0.04 0.00 0.01 0.00 0.00 72.50 71.56 1qbm s THR 69 CO 0.19 -0.04 0.11 -0.63 -0.69 0.00 0.00 174.62 173.56 1qbm s ILE 70 N 2.68 5.24 0.26 1.82 1.01 -1.26 -0.02 121.20 130.92 1qbm s ILE 70 Ca 0.10 0.11 0.02 0.00 0.00 0.00 0.00 60.65 60.89 1qbm s ILE 70 Cb -0.14 -3.31 -0.03 0.00 0.01 0.00 0.00 42.46 38.98 1qbm s ILE 70 CO -0.17 0.55 0.21 0.42 0.00 0.00 0.00 174.94 175.95 1qbm s THR 71 N -0.47 0.00 0.18 2.92 -4.23 -0.82 -4.97 115.64 108.25 1qbm s THR 71 Ca 0.11 -1.98 -0.15 0.00 -1.18 0.00 0.00 61.69 58.50 1qbm s THR 71 Cb -0.12 -2.50 0.02 0.00 1.34 0.00 0.00 72.50 71.24 1qbm s THR 71 CO 0.02 0.00 0.44 0.00 -0.54 0.00 0.00 174.62 174.53 1qbm s ALA 72 N -3.84 -0.65 -0.36 3.99 0.00 -1.26 0.04 121.76 119.68 1qbm s ALA 72 Ca 0.39 -0.40 0.02 0.00 0.00 0.00 0.00 51.96 51.97 1qbm s ALA 72 Cb 0.05 0.83 0.15 0.00 0.00 0.00 0.00 23.12 24.15 1qbm s ALA 72 CO 0.19 -0.74 0.32 0.34 0.00 0.00 0.00 175.76 175.86 1qbm s ASP 73 N -2.89 1.82 0.66 0.00 2.15 -0.41 -4.99 116.67 113.00 1qbm s ASP 73 Ca 0.11 -1.78 0.30 0.00 0.43 0.00 0.00 52.55 51.60 1qbm s ASP 73 Cb 0.01 0.22 1.61 0.00 -0.30 0.00 0.00 42.92 44.45 1qbm s ASP 73 CO -0.03 -0.28 1.91 0.71 -0.17 0.00 0.00 175.17 177.31 1qbm h THR 74 N 5.07 0.03 0.12 1.71 1.35 -1.89 -2.17 112.91 117.12 1qbm h THR 74 Ca 0.05 0.00 -0.00 0.00 -0.55 0.00 0.00 66.41 65.91 1qbm h THR 74 Cb 1.03 0.66 -0.01 0.00 -1.73 0.00 0.00 68.15 68.10 1qbm h THR 74 CO 0.22 0.00 -0.16 0.28 -0.25 0.00 0.00 175.52 175.61 1qbm h SER 75 N 0.00 -0.46 0.00 5.36 0.02 -1.94 -2.09 113.55 114.44 1qbm h SER 75 Ca 0.02 0.04 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1qbm h SER 75 Cb 0.71 0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.41 1qbm h SER 75 CO -0.00 -0.20 0.00 -1.54 -1.14 0.00 0.00 176.83 173.95 1qbm n SER 76 N -3.32 0.00 -3.75 3.07 3.41 -0.96 -4.87 113.62 107.20 1qbm n SER 76 Ca -0.03 -1.34 -0.26 0.00 -0.26 0.00 0.00 58.87 56.97 1qbm n SER 76 Cb 0.14 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.14 1qbm n SER 76 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1qbm n ASN 77 N -0.82 -4.78 -4.22 4.04 5.15 -0.79 -4.71 115.26 109.14 1qbm n ASN 77 Ca 0.15 -0.69 -0.25 0.00 -0.60 0.00 0.00 54.58 53.19 1qbm n ASN 77 Cb 0.07 -4.40 -0.14 0.00 -0.53 0.00 0.00 39.78 34.77 1qbm n ASN 77 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1qbm s THR 78 N -3.35 1.56 0.30 -0.44 2.01 -1.08 -1.76 115.64 112.88 1qbm s THR 78 Ca 0.52 -1.08 0.09 0.00 0.31 0.00 0.00 61.69 61.53 1qbm s THR 78 Cb -0.25 -1.35 -0.05 0.00 0.01 0.00 0.00 72.50 70.87 1qbm s THR 78 CO 0.79 0.23 -0.01 0.00 -0.69 0.00 0.00 174.62 174.94 1qbm s ALA 79 N -0.72 3.17 0.05 7.40 0.00 -0.34 -1.29 121.76 130.02 1qbm s ALA 79 Ca 0.07 -1.82 -0.02 0.00 0.00 0.00 0.00 51.96 50.18 1qbm s ALA 79 Cb -0.08 -0.55 -0.03 0.00 0.00 0.00 0.00 23.12 22.46 1qbm s ALA 79 CO 0.01 0.16 0.01 0.71 0.00 0.00 0.00 175.76 176.66 1qbm s TYR 80 N -2.43 0.41 -0.11 0.00 2.02 0.11 -2.34 117.35 114.99 1qbm s TYR 80 Ca 0.33 -0.89 -0.01 0.00 -0.37 0.00 0.00 57.07 56.14 1qbm s TYR 80 Cb -0.03 -0.30 0.03 0.00 -0.40 0.00 0.00 41.96 41.25 1qbm s TYR 80 CO 0.19 -0.38 -0.07 -1.17 -1.57 0.00 0.00 175.55 172.56 1qbm s LEU 81 N -2.68 1.14 -0.39 -1.29 2.96 -1.02 -1.95 118.68 115.46 1qbm s LEU 81 Ca 0.03 -0.30 -0.08 0.00 -0.22 0.00 0.00 54.13 53.56 1qbm s LEU 81 Cb 0.05 -0.80 0.06 0.00 0.50 0.00 0.00 46.19 46.00 1qbm s LEU 81 CO -0.09 -0.13 0.20 -1.58 -1.32 0.00 0.00 176.35 173.43 1qbm s GLN 82 N 1.74 2.57 -0.16 1.98 0.74 0.97 -1.40 119.66 126.09 1qbm s GLN 82 Ca 0.05 -1.37 -0.12 0.00 0.05 0.00 0.00 55.36 53.97 1qbm s GLN 82 Cb -0.13 -3.65 -0.05 0.00 1.10 0.00 0.00 33.01 30.29 1qbm s GLN 82 CO -0.08 -0.85 0.24 -0.51 -0.55 0.00 0.00 175.29 173.55 1qbm s LEU 83 N 1.40 4.25 0.01 3.68 2.01 -0.44 -1.54 118.68 128.05 1qbm s LEU 83 Ca 0.02 0.45 0.04 0.00 0.01 0.00 0.00 54.13 54.65 1qbm s LEU 83 Cb -0.22 -2.29 -0.03 0.00 0.01 0.00 0.00 46.19 43.66 1qbm s LEU 83 CO 0.02 0.15 -0.09 -0.44 1.01 0.00 0.00 176.35 177.00 1qbm s SER 84 N 0.28 4.48 -0.78 2.29 0.01 -0.66 -1.53 113.70 117.79 1qbm s SER 84 Ca 0.14 -0.20 -0.01 0.00 1.31 0.00 0.00 55.95 57.20 1qbm s SER 84 Cb -0.13 -0.99 -0.00 0.00 0.21 0.00 0.00 66.02 65.11 1qbm s SER 84 CO 0.03 0.27 0.68 -1.20 0.41 0.00 0.00 173.24 173.43 1qbm n SER 85 N 1.52 -6.91 -4.70 2.44 7.64 -0.71 -4.85 113.62 108.05 1qbm n SER 85 Ca -0.15 -0.35 -0.38 0.00 1.01 0.00 0.00 58.87 58.99 1qbm n SER 85 Cb 0.52 -4.26 0.05 0.00 -1.01 0.00 0.00 64.21 59.51 1qbm n SER 85 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1qbm n LEU 86 N -2.10 5.00 -4.22 -3.43 4.77 -0.50 -4.57 117.00 111.95 1qbm n LEU 86 Ca -0.09 0.91 -0.13 0.00 -0.03 0.00 0.00 56.01 56.67 1qbm n LEU 86 Cb 0.56 -1.51 -0.10 0.00 -2.33 0.00 0.00 43.42 40.04 1qbm n LEU 86 CO 0.56 -1.03 -0.36 -0.89 -1.33 0.00 0.00 177.39 174.34 1qbm s THR 87 N -1.36 0.75 -0.71 -5.08 2.01 -1.26 -0.65 115.64 109.34 1qbm s THR 87 Ca 0.74 -1.98 0.13 0.00 0.31 0.00 0.00 61.69 60.90 1qbm s THR 87 Cb -0.42 -1.95 0.13 0.00 0.01 0.00 0.00 72.50 70.27 1qbm s THR 87 CO 0.47 -0.63 1.42 -1.54 -0.69 0.00 0.00 174.62 173.65 1qbm n SER 88 N -0.18 0.27 0.17 3.53 3.41 -1.26 -1.26 113.62 118.30 1qbm n SER 88 Ca -0.09 0.60 0.13 0.00 -0.26 0.00 0.00 58.87 59.25 1qbm n SER 88 Cb 0.62 -0.64 0.46 0.00 -0.26 0.00 0.00 64.21 64.39 1qbm n SER 88 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1qbm h GLU 89 N 0.00 0.00 -0.01 4.33 5.08 -1.96 -3.03 114.58 118.99 1qbm h GLU 89 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1qbm h GLU 89 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 1qbm h GLU 89 CO 0.00 0.00 -0.14 -0.25 -1.00 0.00 0.00 179.01 177.62 1qbm n ASP 90 N -2.58 1.24 -4.64 1.42 8.00 -0.39 -4.82 116.55 114.79 1qbm n ASP 90 Ca 0.03 -1.17 -0.43 0.00 0.71 0.00 0.00 54.79 53.93 1qbm n ASP 90 Cb 0.35 0.07 -0.02 0.00 -0.02 0.00 0.00 41.12 41.50 1qbm n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1qbm s THR 91 N -2.27 4.03 -0.03 -3.53 2.01 -1.15 -4.78 115.64 109.93 1qbm s THR 91 Ca 0.31 1.18 -0.30 0.00 0.31 0.00 0.00 61.69 63.19 1qbm s THR 91 Cb 0.20 -4.00 0.12 0.00 0.01 0.00 0.00 72.50 68.83 1qbm s THR 91 CO 0.43 -0.36 1.32 0.00 -0.69 0.00 0.00 174.62 175.32 1qbm s ALA 92 N 4.43 -2.35 0.06 7.40 0.00 -0.47 -4.49 121.76 126.35 1qbm s ALA 92 Ca 0.60 0.61 -0.21 0.00 0.00 0.00 0.00 51.96 52.96 1qbm s ALA 92 Cb -0.20 0.45 -0.06 0.00 0.00 0.00 0.00 23.12 23.30 1qbm s ALA 92 CO 0.23 -1.08 0.64 0.08 0.00 0.00 0.00 175.76 175.63 1qbm s VAL 93 N -2.26 4.72 -0.28 0.00 1.01 -0.36 -0.63 120.40 122.60 1qbm s VAL 93 Ca 0.18 1.36 -0.00 0.00 0.00 0.00 0.00 61.98 63.51 1qbm s VAL 93 Cb 0.04 -3.98 0.05 0.00 0.00 0.00 0.00 36.38 32.50 1qbm s VAL 93 CO -0.04 0.49 -0.04 -0.31 0.00 0.00 0.00 175.10 175.20 1qbm s TYR 94 N -0.73 3.24 -0.11 5.22 1.51 0.25 -0.76 117.35 125.97 1qbm s TYR 94 Ca 0.32 -1.98 -0.09 0.00 -1.01 0.00 0.00 57.07 54.31 1qbm s TYR 94 Cb -0.20 -2.05 -0.04 0.00 -0.11 0.00 0.00 41.96 39.56 1qbm s TYR 94 CO 0.20 -0.82 0.20 0.71 -1.11 0.00 0.00 175.55 174.73 1qbm s TYR 95 N 1.21 3.60 0.06 2.71 2.02 0.51 -1.57 117.35 125.89 1qbm s TYR 95 Ca -0.06 0.60 0.05 0.00 -0.37 0.00 0.00 57.07 57.29 1qbm s TYR 95 Cb -0.19 -2.05 -0.04 0.00 -0.40 0.00 0.00 41.96 39.28 1qbm s TYR 95 CO -0.03 0.65 -0.06 0.00 -1.57 0.00 0.00 175.55 174.54 1qbm s ALA 97 N -1.14 -0.17 -0.27 0.00 0.00 -0.21 -1.57 121.76 118.40 1qbm s ALA 97 Ca 0.20 -0.00 -0.07 0.00 0.00 0.00 0.00 51.96 52.10 1qbm s ALA 97 Cb -0.11 -0.03 -0.00 0.00 0.00 0.00 0.00 23.12 22.97 1qbm s ALA 97 CO 0.12 -0.10 0.07 0.20 0.00 0.00 0.00 175.76 176.04 1qbm s GLY 98 N -0.56 1.76 -0.12 0.00 0.00 0.58 -0.16 107.32 108.83 1qbm s GLY 98 Ca -0.06 -1.32 -0.33 0.00 0.00 0.00 0.00 44.72 43.00 1qbm s GLY 98 CO 0.00 0.59 1.34 -2.52 0.00 0.00 0.00 173.10 172.51 1qbm s TYR 99 N 1.54 -0.04 0.00 1.90 -0.85 -0.49 -1.38 117.35 118.02 1qbm s TYR 99 Ca 0.04 -0.01 0.00 0.00 -0.52 0.00 0.00 57.07 56.58 1qbm s TYR 99 Cb -0.16 0.52 0.00 0.00 0.38 0.00 0.00 41.96 42.70 1qbm s TYR 99 CO 0.02 -0.14 0.00 -0.40 -1.52 0.00 0.00 175.55 173.51 1qbm n ASP 100 N -0.34 0.00 0.00 -0.18 5.68 -1.26 -1.96 116.55 118.49 1qbm n ASP 100 Ca -0.05 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.24 1qbm n ASP 100 Cb 0.61 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.59 1qbm n ASP 100 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1qbm n TYR 101 N -0.46 0.00 -2.67 2.11 4.01 -1.26 -5.04 117.16 113.85 1qbm n TYR 101 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1qbm n TYR 101 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.03 1qbm n TYR 101 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1qbm n GLY 102 N 0.73 6.85 0.00 2.72 0.00 -1.26 -5.03 105.19 109.20 1qbm n GLY 102 Ca 0.00 -1.92 0.13 0.00 0.00 0.00 0.00 46.02 44.23 1qbm n GLY 102 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1qbm n ASN 103 N 0.00 0.00 -4.55 1.61 6.94 -1.26 -4.53 115.26 113.47 1qbm n ASN 103 Ca 0.00 0.28 -0.40 0.00 -0.02 0.00 0.00 54.58 54.44 1qbm n ASN 103 Cb 0.00 -0.42 -0.03 0.00 -2.36 0.00 0.00 39.78 36.97 1qbm n ASN 103 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1qbm s PHE 104 N -2.85 2.02 -0.17 -2.53 2.19 -1.26 -4.89 117.98 110.49 1qbm s PHE 104 Ca 0.17 0.38 -0.05 0.00 0.33 0.00 0.00 56.93 57.76 1qbm s PHE 104 Cb 0.18 -4.37 0.07 0.00 -1.31 0.00 0.00 43.02 37.58 1qbm s PHE 104 CO 0.46 -2.17 0.11 0.34 1.83 0.00 0.00 175.22 175.79 1qbm s ASP 105 N 5.68 2.11 0.02 6.13 -1.08 -1.26 -4.19 116.67 124.07 1qbm s ASP 105 Ca 0.51 -0.51 0.05 0.00 -0.52 0.00 0.00 52.55 52.08 1qbm s ASP 105 Cb -0.10 -0.11 -0.02 0.00 -1.46 0.00 0.00 42.92 41.22 1qbm s ASP 105 CO 0.19 -0.34 -0.14 -0.31 0.52 0.00 0.00 175.17 175.09 1qbm s TYR 106 N 2.18 1.22 0.23 -5.34 1.51 -0.48 -5.01 117.35 111.65 1qbm s TYR 106 Ca 0.03 -0.30 0.10 0.00 -1.01 0.00 0.00 57.07 55.89 1qbm s TYR 106 Cb -0.16 -0.75 -0.05 0.00 -0.11 0.00 0.00 41.96 40.90 1qbm s TYR 106 CO -0.09 0.01 -0.18 -1.58 -1.11 0.00 0.00 175.55 172.60 1qbm s TRP 107 N -0.64 1.99 0.41 2.71 0.52 -1.26 -0.30 118.94 122.37 1qbm s TRP 107 Ca 0.03 -0.45 0.00 0.00 0.02 0.00 0.00 56.10 55.71 1qbm s TRP 107 Cb -0.07 -0.91 -0.02 0.00 -1.15 0.00 0.00 33.47 31.33 1qbm s TRP 107 CO 0.01 0.51 0.62 0.20 0.02 0.00 0.00 176.95 178.31 1qbm s GLY 108 N -3.25 1.49 0.05 0.98 0.00 -0.61 -4.49 107.32 101.49 1qbm s GLY 108 Ca 0.24 -1.00 0.08 0.00 0.00 0.00 0.00 44.72 44.04 1qbm s GLY 108 CO 0.10 -0.87 1.25 -0.18 0.00 0.00 0.00 173.10 173.40 1qbm n GLN 109 N -1.97 0.03 0.00 2.90 -0.06 -1.25 -4.76 117.38 112.26 1qbm n GLN 109 Ca -0.01 0.44 0.00 0.00 -2.00 0.00 0.00 57.00 55.43 1qbm n GLN 109 Cb 0.57 -1.57 0.00 0.00 -4.06 0.00 0.00 30.24 25.18 1qbm n GLN 109 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1qbm n GLY 110 N -0.95 -0.39 3.15 1.69 0.00 -1.26 -5.02 105.19 102.40 1qbm n GLY 110 Ca 0.01 -1.48 -0.31 0.00 0.00 0.00 0.00 46.02 44.23 1qbm n GLY 110 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qbm s THR 111 N -2.73 1.89 -0.27 2.61 2.01 -0.61 -4.88 115.64 113.66 1qbm s THR 111 Ca 0.00 -0.89 -0.14 0.00 0.31 0.00 0.00 61.69 60.97 1qbm s THR 111 Cb 0.00 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 70.80 1qbm s THR 111 CO 0.00 0.52 0.31 0.28 -0.69 0.00 0.00 174.62 175.04 1qbm s THR 112 N 0.73 5.22 -0.18 -0.82 -1.32 -1.26 0.86 115.64 118.86 1qbm s THR 112 Ca -0.10 0.44 -0.08 0.00 -1.21 0.00 0.00 61.69 60.74 1qbm s THR 112 Cb -0.16 -3.64 -0.04 0.00 -1.51 0.00 0.00 72.50 67.14 1qbm s THR 112 CO 0.01 0.19 0.08 -0.22 -2.21 0.00 0.00 174.62 172.47 1qbm s LEU 113 N 1.95 3.90 -0.16 9.08 2.96 0.20 -1.28 118.68 135.33 1qbm s LEU 113 Ca 0.12 0.12 -0.00 0.00 -0.22 0.00 0.00 54.13 54.16 1qbm s LEU 113 Cb -0.16 -1.99 0.04 0.00 0.50 0.00 0.00 46.19 44.58 1qbm s LEU 113 CO 0.10 0.19 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.34 1qbm s THR 114 N 0.31 1.31 -0.72 3.68 2.01 -0.68 -1.37 115.64 120.18 1qbm s THR 114 Ca 0.04 -0.66 -0.24 0.00 0.31 0.00 0.00 61.69 61.15 1qbm s THR 114 Cb -0.12 -1.38 0.06 0.00 0.01 0.00 0.00 72.50 71.07 1qbm s THR 114 CO -0.00 0.24 1.08 -0.69 -0.69 0.00 0.00 174.62 174.56 1qbm s VAL 115 N 1.56 4.17 -0.12 3.82 1.01 -1.26 -2.90 120.40 126.69 1qbm s VAL 115 Ca 0.02 -0.25 -0.09 0.00 0.00 0.00 0.00 61.98 61.66 1qbm s VAL 115 Cb -0.15 -4.77 0.04 0.00 0.00 0.00 0.00 36.38 31.50 1qbm s VAL 115 CO -0.08 -1.60 0.29 -0.55 0.00 0.00 0.00 175.10 173.16 1qbm s SER 116 N 3.76 -0.32 0.14 3.32 0.15 0.42 -4.77 113.70 116.40 1qbm s SER 116 Ca 0.27 0.61 -0.05 0.00 0.70 0.00 0.00 55.95 57.48 1qbm s SER 116 Cb -0.13 0.56 -0.05 0.00 -1.71 0.00 0.00 66.02 64.69 1qbm s SER 116 CO 0.09 -0.13 1.35 0.28 1.20 0.00 0.00 173.24 176.03 1qbm h SER 117 N 6.30 0.60 -1.38 5.45 0.02 -1.82 -3.37 113.55 119.35 1qbm h SER 117 Ca -0.32 -0.43 -0.63 0.00 -0.84 0.00 0.00 61.79 59.57 1qbm h SER 117 Cb 1.18 -0.18 0.14 0.00 0.14 0.00 0.00 62.40 63.68 1qbm h SER 117 CO 0.33 1.21 -0.77 0.00 -1.14 0.00 0.00 176.83 176.47 1qbm n ALA 118 N -2.55 -2.92 -2.49 3.77 0.00 -1.26 -5.01 120.51 110.05 1qbm n ALA 118 Ca -0.06 0.24 -0.20 0.00 0.00 0.00 0.00 53.44 53.42 1qbm n ALA 118 Cb 0.77 -1.50 -0.02 0.00 0.00 0.00 0.00 19.45 18.70 1qbm n ALA 118 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1qbm s GLU 119 N -0.98 2.94 -0.82 0.00 2.12 -1.26 -4.96 118.70 115.73 1qbm s GLU 119 Ca 0.60 -1.14 -0.22 0.00 0.36 0.00 0.00 54.97 54.57 1qbm s GLU 119 Cb -0.74 -2.66 -0.19 0.00 0.26 0.00 0.00 34.13 30.80 1qbm s GLU 119 CO 0.59 0.08 2.36 -2.37 -0.54 0.00 0.00 175.26 175.39 1qbm n THR 120 N -1.51 -0.01 -3.90 -1.70 5.66 -1.26 -4.66 114.28 106.89 1qbm n THR 120 Ca -0.01 -0.51 -0.37 0.00 -3.05 0.00 0.00 64.05 60.11 1qbm n THR 120 Cb 0.59 -1.49 -0.06 0.00 -1.55 0.00 0.00 70.33 67.82 1qbm n THR 120 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1qbm s THR 121 N 10.39 5.46 0.62 1.09 2.01 -0.67 -4.81 115.64 129.73 1qbm s THR 121 Ca 1.06 0.19 -0.12 0.00 0.31 0.00 0.00 61.69 63.13 1qbm s THR 121 Cb -0.38 -3.38 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 1qbm s THR 121 CO 0.25 0.62 1.03 -2.84 -0.69 0.00 0.00 174.62 172.99 1qbm s PRO 122 N -1.03 3.48 0.50 4.92 0.02 -1.26 -1.47 135.00 140.16 1qbm s PRO 122 Ca 0.15 0.86 -0.06 0.00 0.02 0.00 0.00 61.00 61.97 1qbm s PRO 122 Cb -0.12 -2.06 -0.03 0.00 0.02 0.00 0.00 34.50 32.30 1qbm s PRO 122 CO 0.04 -0.66 0.81 -1.25 -0.33 0.00 0.00 177.00 175.61 1qbm s PRO 123 N -4.90 3.50 -0.36 5.54 0.04 -1.26 -4.31 135.00 133.25 1qbm s PRO 123 Ca 0.57 0.22 -0.15 0.00 0.04 0.00 0.00 61.00 61.68 1qbm s PRO 123 Cb -0.12 -2.35 -0.01 0.00 0.04 0.00 0.00 34.50 32.07 1qbm s PRO 123 CO 0.49 -0.27 0.37 -1.12 0.04 0.00 0.00 177.00 176.51 1qbm s SER 124 N -4.13 6.17 -0.20 6.66 0.01 0.55 -4.86 113.70 117.90 1qbm s SER 124 Ca 0.48 -0.34 -0.15 0.00 1.31 0.00 0.00 55.95 57.25 1qbm s SER 124 Cb -0.10 -2.20 -0.04 0.00 0.21 0.00 0.00 66.02 63.89 1qbm s SER 124 CO 0.46 -0.38 0.38 -0.69 0.41 0.00 0.00 173.24 173.42 1qbm s VAL 125 N 2.01 5.21 -0.12 3.43 1.01 -1.26 -0.27 120.40 130.42 1qbm s VAL 125 Ca 0.11 0.66 0.03 0.00 0.00 0.00 0.00 61.98 62.78 1qbm s VAL 125 Cb -0.17 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.51 1qbm s VAL 125 CO 0.12 0.26 -0.23 -0.31 0.00 0.00 0.00 175.10 174.94 1qbm s TYR 126 N 1.29 2.61 0.03 5.22 2.02 0.14 -4.95 117.35 123.71 1qbm s TYR 126 Ca 0.18 -1.13 -0.30 0.00 -0.37 0.00 0.00 57.07 55.44 1qbm s TYR 126 Cb -0.15 -1.75 -0.06 0.00 -0.40 0.00 0.00 41.96 39.60 1qbm s TYR 126 CO 0.08 -0.48 1.28 -1.25 -1.57 0.00 0.00 175.55 173.61 1qbm s PRO 127 N 0.51 4.36 -0.42 -1.71 0.04 -1.26 -0.57 135.00 135.95 1qbm s PRO 127 Ca -0.14 1.85 -0.15 0.00 0.04 0.00 0.00 61.00 62.59 1qbm s PRO 127 Cb -0.17 -3.43 0.03 0.00 0.04 0.00 0.00 34.50 30.97 1qbm s PRO 127 CO 0.05 -0.40 0.33 -0.51 0.04 0.00 0.00 177.00 176.51 1qbm s LEU 128 N 1.63 5.18 -0.12 -3.56 1.02 0.12 -4.92 118.68 118.03 1qbm s LEU 128 Ca 0.60 -0.96 -0.07 0.00 0.02 0.00 0.00 54.13 53.73 1qbm s LEU 128 Cb -0.30 -2.19 -0.04 0.00 0.02 0.00 0.00 46.19 43.68 1qbm s LEU 128 CO 0.27 -0.50 0.14 0.00 0.02 0.00 0.00 176.35 176.28 1qbm s ALA 129 N 1.73 3.88 0.98 4.21 0.00 -1.26 -2.42 121.76 128.88 1qbm s ALA 129 Ca 0.06 -0.64 -0.14 0.00 0.00 0.00 0.00 51.96 51.24 1qbm s ALA 129 Cb -0.20 -1.97 0.05 0.00 0.00 0.00 0.00 23.12 21.00 1qbm s ALA 129 CO 0.10 0.62 0.33 -2.30 0.00 0.00 0.00 175.76 174.50 1qbm n PRO 130 N 1.98 -0.53 -3.57 0.00 -0.02 -1.26 -4.89 135.00 126.70 1qbm n PRO 130 Ca -0.20 -0.12 -0.39 0.00 -2.02 0.00 0.00 63.50 60.77 1qbm n PRO 130 Cb 0.55 -1.82 -0.06 0.00 -0.02 0.00 0.00 33.50 32.15 1qbm n PRO 130 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1qbm s GLY 131 N -1.98 2.85 0.00 -1.23 0.00 -1.26 -4.91 107.32 100.80 1qbm s GLY 131 Ca 0.57 -3.58 0.00 0.00 0.00 0.00 0.00 44.72 41.70 1qbm s GLY 131 CO 0.67 1.19 0.00 -0.37 0.00 0.00 0.00 173.10 174.60 1qbm n THR 132 N 3.00 0.00 0.26 0.90 5.66 -1.26 -3.92 114.28 118.93 1qbm n THR 132 Ca 0.16 0.00 0.18 0.00 -3.05 0.00 0.00 64.05 61.34 1qbm n THR 132 Cb 0.39 0.00 0.88 0.00 -1.55 0.00 0.00 70.33 70.05 1qbm n THR 132 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1qbm h ALA 133 N 0.00 1.53 0.00 1.79 0.00 -2.01 0.37 119.26 120.94 1qbm h ALA 133 Ca 0.00 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 1qbm h ALA 133 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1qbm h ALA 133 CO 0.00 -0.31 -0.42 0.00 0.00 0.00 0.00 179.25 178.52 1qbm h ALA 134 N 1.60 0.77 -0.25 0.00 0.00 -1.93 -3.35 119.26 116.12 1qbm h ALA 134 Ca 0.05 -0.38 0.05 0.00 0.00 0.00 0.00 54.91 54.64 1qbm h ALA 134 Cb 0.56 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 1qbm h ALA 134 CO -0.00 0.52 -0.07 1.25 0.00 0.00 0.00 179.25 180.95 1qbm h LEU 135 N 0.00 -0.26 -3.24 0.00 5.85 -0.54 -2.34 115.31 114.78 1qbm h LEU 135 Ca -0.00 0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.71 1qbm h LEU 135 Cb 1.22 0.16 -0.03 0.00 0.37 0.00 0.00 40.66 42.38 1qbm h LEU 135 CO 0.05 -0.09 0.03 1.17 -0.34 0.00 0.00 178.44 179.26 1qbm n LYS 136 N -5.23 1.29 -4.19 1.25 4.81 -1.26 -4.76 118.16 110.07 1qbm n LYS 136 Ca -0.01 -0.43 -0.11 0.00 -0.87 0.00 0.00 58.31 56.89 1qbm n LYS 136 Cb 0.16 -1.25 -0.10 0.00 0.02 0.00 0.00 35.03 33.86 1qbm n LYS 136 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1qbm s SER 137 N 1.68 0.38 0.23 3.14 0.15 -0.88 -5.09 113.70 113.31 1qbm s SER 137 Ca 0.15 -1.29 -0.08 0.00 0.70 0.00 0.00 55.95 55.43 1qbm s SER 137 Cb 0.09 0.30 0.38 0.00 -1.71 0.00 0.00 66.02 65.09 1qbm s SER 137 CO -0.01 -0.76 1.65 -1.28 1.20 0.00 0.00 173.24 174.05 1qbm h SER 138 N 2.72 -0.26 -3.83 5.45 0.87 -1.86 -3.43 113.55 113.22 1qbm h SER 138 Ca -0.36 0.17 -0.54 0.00 -1.23 0.00 0.00 61.79 59.84 1qbm h SER 138 Cb 1.22 0.29 -0.20 0.00 -0.44 0.00 0.00 62.40 63.28 1qbm h SER 138 CO 0.57 -0.13 -0.80 -0.04 -0.53 0.00 0.00 176.83 175.90 1qbm s MET 139 N -6.12 1.21 -0.05 2.24 -1.94 -1.26 -1.73 119.30 111.65 1qbm s MET 139 Ca -0.13 -1.30 0.05 0.00 -1.71 0.00 0.00 55.69 52.59 1qbm s MET 139 Cb 0.21 -1.35 -0.02 0.00 2.01 0.00 0.00 34.83 35.68 1qbm s MET 139 CO 0.75 0.29 -0.18 0.54 -0.01 0.00 0.00 175.02 176.41 1qbm s VAL 140 N -1.67 2.76 -0.17 -6.03 0.11 -0.03 -4.74 120.40 110.63 1qbm s VAL 140 Ca 0.12 -0.83 -0.03 0.00 -2.93 0.00 0.00 61.98 58.30 1qbm s VAL 140 Cb -0.08 -2.06 -0.02 0.00 -1.53 0.00 0.00 36.38 32.69 1qbm s VAL 140 CO 0.06 0.58 -0.05 -0.89 -3.33 0.00 0.00 175.10 171.47 1qbm s THR 141 N -0.59 3.72 0.43 5.04 2.01 -1.26 -1.89 115.64 123.09 1qbm s THR 141 Ca 0.09 -0.41 0.06 0.00 0.31 0.00 0.00 61.69 61.74 1qbm s THR 141 Cb -0.11 -2.64 -0.06 0.00 0.01 0.00 0.00 72.50 69.70 1qbm s THR 141 CO 0.01 0.48 0.07 -0.76 -0.69 0.00 0.00 174.62 173.73 1qbm s LEU 142 N 0.59 2.87 0.33 4.42 1.43 -0.28 -4.56 118.68 123.47 1qbm s LEU 142 Ca -0.03 -1.32 -0.18 0.00 -1.03 0.00 0.00 54.13 51.57 1qbm s LEU 142 Cb -0.15 -1.04 0.06 0.00 0.03 0.00 0.00 46.19 45.09 1qbm s LEU 142 CO 0.03 -0.55 0.87 -0.83 0.23 0.00 0.00 176.35 176.09 1qbm s GLY 143 N -3.81 0.30 -0.01 -3.19 0.00 -1.01 -1.17 107.32 98.43 1qbm s GLY 143 Ca 0.33 -0.64 0.00 0.00 0.00 0.00 0.00 44.72 44.41 1qbm s GLY 143 CO 0.17 0.53 0.00 0.00 0.00 0.00 0.00 173.10 173.80 1qbm s LEU 145 N 0.54 4.64 -0.56 0.00 0.20 0.27 -2.03 118.68 121.73 1qbm s LEU 145 Ca -0.05 -0.66 -0.12 0.00 0.69 0.00 0.00 54.13 53.99 1qbm s LEU 145 Cb -0.07 -2.10 0.14 0.00 -0.43 0.00 0.00 46.19 43.73 1qbm s LEU 145 CO -0.01 -0.31 0.47 -0.69 -0.29 0.00 0.00 176.35 175.52 1qbm s VAL 146 N 1.66 4.75 0.33 1.68 1.01 0.71 0.25 120.40 130.79 1qbm s VAL 146 Ca 0.05 -1.88 0.08 0.00 0.00 0.00 0.00 61.98 60.23 1qbm s VAL 146 Cb -0.18 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 1qbm s VAL 146 CO 0.09 -0.86 0.22 -0.75 0.00 0.00 0.00 175.10 173.81 1qbm s LYS 147 N 1.16 2.61 -1.77 2.72 2.20 0.63 -0.71 119.74 126.58 1qbm s LYS 147 Ca 0.07 -1.36 -0.17 0.00 -0.36 0.00 0.00 55.97 54.15 1qbm s LYS 147 Cb -0.25 -2.38 0.17 0.00 -1.51 0.00 0.00 37.83 33.87 1qbm s LYS 147 CO -0.01 0.14 0.43 0.41 -0.36 0.00 0.00 175.35 175.97 1qbm n GLY 148 N -1.26 -0.32 3.93 5.54 0.00 -0.44 -0.33 105.19 112.31 1qbm n GLY 148 Ca -0.03 0.10 -0.24 0.00 0.00 0.00 0.00 46.02 45.85 1qbm n GLY 148 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1qbm s TYR 149 N -3.52 1.71 -0.29 1.61 1.13 -0.71 -4.64 117.35 112.64 1qbm s TYR 149 Ca 0.61 -0.77 -0.23 0.00 -1.41 0.00 0.00 57.07 55.26 1qbm s TYR 149 Cb -0.35 -2.01 0.16 0.00 -1.10 0.00 0.00 41.96 38.66 1qbm s TYR 149 CO 1.01 -0.58 1.24 0.12 -2.51 0.00 0.00 175.55 174.82 1qbm s PHE 150 N -2.71 -0.25 0.51 -3.49 5.36 -0.54 -0.49 117.98 116.36 1qbm s PHE 150 Ca 0.42 0.59 0.08 0.00 -0.96 0.00 0.00 56.93 57.06 1qbm s PHE 150 Cb -0.03 0.39 0.08 0.00 -0.34 0.00 0.00 43.02 43.11 1qbm s PHE 150 CO 0.26 -0.12 0.63 -2.30 -1.46 0.00 0.00 175.22 172.23 1qbm n PRO 151 N 2.12 0.68 -1.11 10.12 -0.02 -1.26 -1.68 135.00 143.86 1qbm n PRO 151 Ca -0.12 -2.83 -0.31 0.00 -2.02 0.00 0.00 63.50 58.22 1qbm n PRO 151 Cb 0.56 -0.09 0.11 0.00 -0.02 0.00 0.00 33.50 34.07 1qbm n PRO 151 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1qbm s GLU 152 N -4.25 1.85 0.00 -0.52 0.41 -1.26 -4.85 118.70 110.08 1qbm s GLU 152 Ca 0.48 1.24 0.00 0.00 -0.41 0.00 0.00 54.97 56.28 1qbm s GLU 152 Cb -0.04 -1.85 0.00 0.00 -1.78 0.00 0.00 34.13 30.47 1qbm s GLU 152 CO 0.30 -1.95 0.00 -0.35 -0.49 0.00 0.00 175.26 172.77 1qbm n PRO 153 N -3.74 3.11 -3.64 0.39 -0.04 -1.26 -4.98 135.00 124.84 1qbm n PRO 153 Ca 0.10 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.48 1qbm n PRO 153 Cb 0.53 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.92 1qbm n PRO 153 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1qbm s VAL 154 N 1.84 0.00 -0.21 0.52 1.01 -1.26 -4.57 120.40 117.73 1qbm s VAL 154 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 61.98 61.90 1qbm s VAL 154 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 1qbm s VAL 154 CO 0.00 0.00 0.09 0.42 0.00 0.00 0.00 175.10 175.61 1qbm s THR 155 N 1.45 4.89 -0.25 3.92 -4.23 -0.79 -4.93 115.64 115.69 1qbm s THR 155 Ca -0.09 0.01 -0.01 0.00 -1.18 0.00 0.00 61.69 60.42 1qbm s THR 155 Cb -0.05 -3.23 0.03 0.00 1.34 0.00 0.00 72.50 70.59 1qbm s THR 155 CO -0.17 0.41 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.56 1qbm s VAL 156 N 0.71 2.71 0.44 2.29 1.01 -1.26 -1.04 120.40 125.26 1qbm s VAL 156 Ca 0.05 -1.16 0.06 0.00 0.00 0.00 0.00 61.98 60.93 1qbm s VAL 156 Cb -0.13 -2.42 -0.05 0.00 0.00 0.00 0.00 36.38 33.79 1qbm s VAL 156 CO 0.02 0.15 0.10 0.42 0.00 0.00 0.00 175.10 175.79 1qbm s THR 157 N 1.28 1.91 -0.03 3.92 -4.23 -0.16 -4.98 115.64 113.35 1qbm s THR 157 Ca -0.02 -1.85 0.03 0.00 -1.18 0.00 0.00 61.69 58.68 1qbm s THR 157 Cb -0.17 -2.76 -0.00 0.00 1.34 0.00 0.00 72.50 70.90 1qbm s THR 157 CO -0.05 0.00 -0.12 0.26 -0.54 0.00 0.00 174.62 174.17 1qbm s TRP 158 N -2.71 1.16 -1.56 3.99 0.52 -1.26 -1.61 118.94 117.48 1qbm s TRP 158 Ca 0.31 -0.28 -0.15 0.00 0.02 0.00 0.00 56.10 56.00 1qbm s TRP 158 Cb 0.05 -0.79 0.10 0.00 -1.15 0.00 0.00 33.47 31.68 1qbm s TRP 158 CO 0.17 -0.09 0.94 0.09 0.02 0.00 0.00 176.95 178.08 1qbm n ASN 159 N 3.12 -4.58 -2.39 2.95 4.13 0.05 -0.05 115.26 118.50 1qbm n ASN 159 Ca -0.17 -0.81 -0.21 0.00 1.68 0.00 0.00 54.58 55.08 1qbm n ASN 159 Cb 0.54 -3.67 -0.01 0.00 -1.54 0.00 0.00 39.78 35.11 1qbm n ASN 159 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1qbm n SER 160 N -2.78 -5.92 0.00 6.41 7.64 -1.26 -1.00 113.62 116.71 1qbm n SER 160 Ca 0.05 -0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.90 1qbm n SER 160 Cb 0.52 -4.92 0.00 0.00 -1.01 0.00 0.00 64.21 58.80 1qbm n SER 160 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qbm n GLY 161 N -1.03 0.92 0.31 0.23 0.00 0.93 -4.88 105.19 101.67 1qbm n GLY 161 Ca -0.24 0.00 0.03 0.00 0.00 0.00 0.00 46.02 45.81 1qbm n GLY 161 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1qbm h SER 162 N 0.00 0.48 -2.98 1.61 0.02 -0.81 -3.22 113.55 108.65 1qbm h SER 162 Ca 0.00 -0.02 -0.72 0.00 -0.84 0.00 0.00 61.79 60.21 1qbm h SER 162 Cb 0.00 -0.12 -0.21 0.00 0.14 0.00 0.00 62.40 62.21 1qbm h SER 162 CO 0.00 0.37 0.19 -0.22 -1.14 0.00 0.00 176.83 176.03 1qbm s LEU 163 N -9.46 5.59 -0.26 5.07 2.96 -0.86 -4.82 118.68 116.90 1qbm s LEU 163 Ca -0.08 -1.71 -0.02 0.00 -0.22 0.00 0.00 54.13 52.09 1qbm s LEU 163 Cb 0.17 -2.30 -0.16 0.00 0.50 0.00 0.00 46.19 44.40 1qbm s LEU 163 CO 0.74 -1.02 -0.23 -0.24 -1.32 0.00 0.00 176.35 174.28 1qbm n SER 164 N 5.97 1.98 -4.97 3.68 2.88 -1.22 -4.05 113.62 117.89 1qbm n SER 164 Ca -0.02 -0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.30 1qbm n SER 164 Cb 0.44 -0.53 -0.00 0.00 -0.75 0.00 0.00 64.21 63.36 1qbm n SER 164 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1qbm s SER 165 N -6.78 6.05 0.00 -3.46 0.01 -1.26 -4.34 113.70 103.92 1qbm s SER 165 Ca -0.35 0.08 0.00 0.00 1.31 0.00 0.00 55.95 56.98 1qbm s SER 165 Cb 0.10 -1.55 0.00 0.00 0.21 0.00 0.00 66.02 64.79 1qbm s SER 165 CO 0.58 -0.41 0.00 0.61 0.41 0.00 0.00 173.24 174.43 1qbm n GLY 166 N -1.73 0.54 3.87 3.44 0.00 -1.26 -4.76 105.19 105.29 1qbm n GLY 166 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.64 1qbm n GLY 166 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qbm s VAL 167 N -2.16 5.42 -0.33 1.61 0.11 -1.26 -1.97 120.40 121.83 1qbm s VAL 167 Ca 0.00 0.10 0.00 0.00 -2.93 0.00 0.00 61.98 59.15 1qbm s VAL 167 Cb 0.00 -3.40 0.10 0.00 -1.53 0.00 0.00 36.38 31.56 1qbm s VAL 167 CO 0.00 0.55 0.11 -1.00 -3.33 0.00 0.00 175.10 171.43 1qbm s HIS 168 N -1.09 1.98 -0.29 1.54 3.76 -0.06 -4.97 115.29 116.16 1qbm s HIS 168 Ca 0.18 -1.97 -0.19 0.00 -0.15 0.00 0.00 55.06 52.93 1qbm s HIS 168 Cb -0.12 -1.88 -0.02 0.00 1.11 0.00 0.00 32.58 31.67 1qbm s HIS 168 CO 0.07 -0.88 0.55 0.99 -0.85 0.00 0.00 174.74 174.62 1qbm s THR 169 N 1.39 5.02 0.29 1.30 2.01 -1.26 -0.35 115.64 124.04 1qbm s THR 169 Ca 0.11 0.76 -0.18 0.00 0.31 0.00 0.00 61.69 62.68 1qbm s THR 169 Cb -0.18 -3.91 -0.09 0.00 0.01 0.00 0.00 72.50 68.33 1qbm s THR 169 CO -0.20 -0.05 0.77 -0.36 -0.69 0.00 0.00 174.62 174.09 1qbm s PHE 170 N 2.42 3.51 0.58 4.92 0.40 -0.38 -4.99 117.98 124.44 1qbm s PHE 170 Ca 0.22 1.37 -0.20 0.00 -0.60 0.00 0.00 56.93 57.72 1qbm s PHE 170 Cb -0.15 -2.63 -0.04 0.00 0.51 0.00 0.00 43.02 40.70 1qbm s PHE 170 CO 0.11 0.18 1.21 -2.30 0.70 0.00 0.00 175.22 175.12 1qbm n PRO 171 N 0.13 1.30 -2.74 0.24 -0.02 -1.26 -4.31 135.00 128.33 1qbm n PRO 171 Ca 0.01 0.49 -0.35 0.00 -2.02 0.00 0.00 63.50 61.64 1qbm n PRO 171 Cb 0.52 -2.42 -0.06 0.00 -0.02 0.00 0.00 33.50 31.52 1qbm n PRO 171 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1qbm s ALA 172 N -1.37 3.07 -0.07 3.55 0.00 -1.26 -4.76 121.76 120.91 1qbm s ALA 172 Ca 0.75 0.50 0.04 0.00 0.00 0.00 0.00 51.96 53.25 1qbm s ALA 172 Cb -0.42 -3.19 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1qbm s ALA 172 CO 0.47 0.04 -0.18 0.08 0.00 0.00 0.00 175.76 176.17 1qbm s VAL 173 N -1.94 1.54 -0.44 0.00 1.01 -0.73 -4.94 120.40 114.89 1qbm s VAL 173 Ca 0.59 -0.73 -0.24 0.00 0.00 0.00 0.00 61.98 61.59 1qbm s VAL 173 Cb -0.14 -1.35 0.02 0.00 0.00 0.00 0.00 36.38 34.92 1qbm s VAL 173 CO 0.19 0.44 0.86 -0.22 0.00 0.00 0.00 175.10 176.36 1qbm s LEU 174 N 0.35 4.11 -0.02 3.92 2.96 -1.26 -2.60 118.68 126.13 1qbm s LEU 174 Ca -0.12 0.09 0.06 0.00 -0.22 0.00 0.00 54.13 53.94 1qbm s LEU 174 Cb -0.15 -3.09 -0.01 0.00 0.50 0.00 0.00 46.19 43.43 1qbm s LEU 174 CO 0.05 -0.95 -0.21 -1.58 -1.32 0.00 0.00 176.35 172.33 1qbm s GLN 175 N 3.49 1.82 -1.72 1.98 0.74 -0.24 -4.75 119.66 120.98 1qbm s GLN 175 Ca 0.34 -0.76 -0.13 0.00 0.05 0.00 0.00 55.36 54.86 1qbm s GLN 175 Cb -0.11 -1.71 0.13 0.00 1.10 0.00 0.00 33.01 32.42 1qbm s GLN 175 CO 0.23 0.42 0.38 0.43 -0.55 0.00 0.00 175.29 176.21 1qbm n SER 176 N 2.67 -0.82 0.00 6.67 7.64 -1.26 -0.65 113.62 127.87 1qbm n SER 176 Ca -0.16 -1.23 0.00 0.00 1.01 0.00 0.00 58.87 58.50 1qbm n SER 176 Cb 0.53 -1.79 0.00 0.00 -1.01 0.00 0.00 64.21 61.94 1qbm n SER 176 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1qbm n ASP 177 N -2.67 -0.86 -4.17 6.43 9.92 -1.26 -5.00 116.55 118.94 1qbm n ASP 177 Ca -0.08 0.00 -0.16 0.00 -0.53 0.00 0.00 54.79 54.02 1qbm n ASP 177 Cb 0.56 -0.73 -0.11 0.00 -0.64 0.00 0.00 41.12 40.20 1qbm n ASP 177 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1qbm s LEU 178 N 0.00 2.35 0.44 0.64 1.43 0.18 -4.23 118.68 119.49 1qbm s LEU 178 Ca 0.00 -0.73 -0.14 0.00 -1.03 0.00 0.00 54.13 52.23 1qbm s LEU 178 Cb 0.00 -0.39 -0.08 0.00 0.03 0.00 0.00 46.19 45.76 1qbm s LEU 178 CO 0.00 -0.19 0.87 -0.31 0.23 0.00 0.00 176.35 176.95 1qbm s TYR 179 N -1.96 3.44 -0.16 0.29 2.02 0.36 -1.08 117.35 120.26 1qbm s TYR 179 Ca 0.02 1.28 -0.08 0.00 -0.37 0.00 0.00 57.07 57.93 1qbm s TYR 179 Cb -0.06 -2.63 0.06 0.00 -0.40 0.00 0.00 41.96 38.94 1qbm s TYR 179 CO 0.01 -0.20 0.37 0.99 -1.57 0.00 0.00 175.55 175.16 1qbm s THR 180 N -2.42 -0.21 0.09 -0.71 2.01 -1.07 -1.33 115.64 112.01 1qbm s THR 180 Ca 0.55 0.14 0.00 0.00 0.31 0.00 0.00 61.69 62.70 1qbm s THR 180 Cb -0.10 -0.57 -0.04 0.00 0.01 0.00 0.00 72.50 71.80 1qbm s THR 180 CO 0.29 0.06 -0.02 -1.48 -0.69 0.00 0.00 174.62 172.77 1qbm s LEU 181 N 1.75 2.34 0.02 4.42 0.05 0.11 -1.77 118.68 125.60 1qbm s LEU 181 Ca -0.07 -1.06 0.00 0.00 0.05 0.00 0.00 54.13 53.06 1qbm s LEU 181 Cb -0.10 0.10 -0.02 0.00 -2.05 0.00 0.00 46.19 44.12 1qbm s LEU 181 CO -0.12 -0.57 -0.03 -0.94 -0.55 0.00 0.00 176.35 174.14 1qbm s SER 182 N -3.01 0.29 0.10 1.48 1.04 -1.26 -0.21 113.70 112.13 1qbm s SER 182 Ca 0.13 -0.37 0.06 0.00 0.48 0.00 0.00 55.95 56.26 1qbm s SER 182 Cb 0.07 0.06 -0.03 0.00 0.10 0.00 0.00 66.02 66.21 1qbm s SER 182 CO -0.05 -0.20 -0.16 -0.55 0.98 0.00 0.00 173.24 173.27 1qbm s SER 183 N -1.07 2.04 0.17 7.02 0.15 -0.86 -1.25 113.70 119.90 1qbm s SER 183 Ca -0.11 -0.72 0.07 0.00 0.70 0.00 0.00 55.95 55.89 1qbm s SER 183 Cb -0.07 -0.08 -0.04 0.00 -1.71 0.00 0.00 66.02 64.11 1qbm s SER 183 CO -0.01 -0.07 -0.15 -0.94 1.20 0.00 0.00 173.24 173.27 1qbm s SER 184 N -2.11 2.37 -0.06 5.45 1.04 0.53 -1.00 113.70 119.92 1qbm s SER 184 Ca 0.05 -0.93 -0.04 0.00 0.48 0.00 0.00 55.95 55.51 1qbm s SER 184 Cb -0.08 -0.11 0.03 0.00 0.10 0.00 0.00 66.02 65.96 1qbm s SER 184 CO 0.03 -0.15 0.15 0.54 0.98 0.00 0.00 173.24 174.80 1qbm s VAL 185 N -2.56 -0.02 -0.16 5.02 0.11 -0.31 -0.89 120.40 121.58 1qbm s VAL 185 Ca 0.17 0.08 -0.03 0.00 -2.93 0.00 0.00 61.98 59.27 1qbm s VAL 185 Cb -0.03 -0.23 -0.02 0.00 -1.53 0.00 0.00 36.38 34.57 1qbm s VAL 185 CO 0.05 0.03 -0.06 -0.89 -3.33 0.00 0.00 175.10 170.90 1qbm s THR 186 N 0.61 3.56 0.05 5.04 2.01 -0.83 -1.13 115.64 124.95 1qbm s THR 186 Ca -0.04 -0.47 0.02 0.00 0.31 0.00 0.00 61.69 61.50 1qbm s THR 186 Cb -0.06 -2.56 -0.03 0.00 0.01 0.00 0.00 72.50 69.87 1qbm s THR 186 CO -0.03 0.49 -0.06 0.68 -0.69 0.00 0.00 174.62 175.00 1qbm s VAL 187 N 0.60 0.48 0.77 3.82 -7.23 -0.79 -4.76 120.40 113.28 1qbm s VAL 187 Ca -0.04 -1.27 -0.15 0.00 -1.81 0.00 0.00 61.98 58.71 1qbm s VAL 187 Cb -0.15 -0.82 0.06 0.00 0.56 0.00 0.00 36.38 36.03 1qbm s VAL 187 CO 0.03 -0.54 1.22 -2.65 -0.31 0.00 0.00 175.10 172.85 1qbm n PRO 188 N 1.10 0.42 0.10 4.82 -0.02 -1.26 -0.85 135.00 139.31 1qbm n PRO 188 Ca -0.20 0.22 0.07 0.00 -2.02 0.00 0.00 63.50 61.56 1qbm n PRO 188 Cb 0.56 -2.46 0.36 0.00 -0.02 0.00 0.00 33.50 31.94 1qbm n PRO 188 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1qbm n SER 189 N -2.91 0.35 -0.03 2.55 7.64 -0.70 -1.36 113.62 119.16 1qbm n SER 189 Ca 0.14 0.66 -0.16 0.00 1.01 0.00 0.00 58.87 60.53 1qbm n SER 189 Cb 0.50 -0.70 -0.09 0.00 -1.01 0.00 0.00 64.21 62.90 1qbm n SER 189 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1qbm h SER 190 N 0.00 0.47 0.39 6.43 0.02 -1.87 -3.35 113.55 115.64 1qbm h SER 190 Ca 0.00 -0.66 -0.09 0.00 -0.84 0.00 0.00 61.79 60.19 1qbm h SER 190 Cb 0.01 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 1qbm h SER 190 CO 0.00 1.06 -0.43 0.71 -1.14 0.00 0.00 176.83 177.03 1qbm h THR 191 N -0.08 1.31 -3.96 -2.27 1.35 -1.56 -3.40 112.91 104.30 1qbm h THR 191 Ca -0.03 -1.50 -0.34 0.00 -0.55 0.00 0.00 66.41 63.99 1qbm h THR 191 Cb 1.06 1.77 -0.27 0.00 -1.73 0.00 0.00 68.15 68.98 1qbm h THR 191 CO 0.08 0.43 -0.76 0.86 -0.25 0.00 0.00 175.52 175.88 1qbm s TRP 192 N -4.07 0.66 -2.13 4.73 -0.00 -1.23 0.25 118.94 117.16 1qbm s TRP 192 Ca -0.03 -0.20 0.31 0.00 -0.00 0.00 0.00 56.10 56.17 1qbm s TRP 192 Cb 0.14 -0.42 1.63 0.00 -0.00 0.00 0.00 33.47 34.82 1qbm s TRP 192 CO 0.74 -0.02 2.07 -0.35 -0.00 0.00 0.00 176.95 179.40 1qbm n PRO 193 N 2.56 1.18 -0.24 5.86 -0.04 -1.26 -4.70 135.00 138.36 1qbm n PRO 193 Ca -0.15 -0.29 0.03 0.00 -0.04 0.00 0.00 63.50 63.05 1qbm n PRO 193 Cb 0.57 -1.49 0.13 0.00 -0.04 0.00 0.00 33.50 32.67 1qbm n PRO 193 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 1qbm h SER 194 N 0.72 -0.34 -2.25 3.54 0.02 -1.77 -3.41 113.55 110.06 1qbm h SER 194 Ca 0.00 0.18 -0.55 0.00 -0.84 0.00 0.00 61.79 60.58 1qbm h SER 194 Cb 0.16 0.33 -0.09 0.00 0.14 0.00 0.00 62.40 62.94 1qbm h SER 194 CO 0.00 -0.16 -0.63 -1.10 -1.14 0.00 0.00 176.83 173.80 1qbm s GLN 195 N -6.13 2.37 0.27 3.45 1.11 0.14 -5.08 119.66 115.78 1qbm s GLN 195 Ca -0.14 -1.36 -0.29 0.00 0.01 0.00 0.00 55.36 53.58 1qbm s GLN 195 Cb 0.21 -2.22 -0.09 0.00 -1.01 0.00 0.00 33.01 29.90 1qbm s GLN 195 CO 0.75 0.37 1.16 0.99 0.01 0.00 0.00 175.29 178.57 1qbm s THR 196 N -2.26 3.36 -0.13 -0.19 2.01 -1.26 -4.29 115.64 112.87 1qbm s THR 196 Ca 0.31 1.31 -0.03 0.00 0.31 0.00 0.00 61.69 63.60 1qbm s THR 196 Cb -0.07 -3.83 0.05 0.00 0.01 0.00 0.00 72.50 68.65 1qbm s THR 196 CO 0.20 0.29 0.04 -0.69 -0.69 0.00 0.00 174.62 173.77 1qbm s VAL 197 N -0.90 0.29 0.01 3.82 1.01 -1.26 -4.99 120.40 118.38 1qbm s VAL 197 Ca 0.47 -0.13 0.05 0.00 0.00 0.00 0.00 61.98 62.37 1qbm s VAL 197 Cb -0.34 -0.67 -0.02 0.00 0.00 0.00 0.00 36.38 35.35 1qbm s VAL 197 CO 0.42 -0.01 -0.16 0.28 0.00 0.00 0.00 175.10 175.63 1qbm s THR 198 N 1.98 1.26 -0.17 3.92 -1.32 -1.26 -1.35 115.64 118.71 1qbm s THR 198 Ca 0.02 -0.85 -0.06 0.00 -1.21 0.00 0.00 61.69 59.59 1qbm s THR 198 Cb -0.15 -1.08 -0.04 0.00 -1.51 0.00 0.00 72.50 69.72 1qbm s THR 198 CO -0.07 0.22 0.04 0.00 -2.21 0.00 0.00 174.62 172.61 1qbm s ASN 200 N 0.22 5.04 -0.07 0.00 -0.87 -0.63 -0.89 114.94 117.74 1qbm s ASN 200 Ca 0.03 -0.16 0.03 0.00 -1.57 0.00 0.00 52.86 51.18 1qbm s ASN 200 Cb -0.13 -1.88 0.01 0.00 -0.02 0.00 0.00 41.25 39.24 1qbm s ASN 200 CO 0.01 0.05 -0.15 0.68 -2.57 0.00 0.00 177.10 175.12 1qbm s VAL 201 N 1.12 1.34 -0.10 1.60 -7.23 0.02 -0.99 120.40 116.16 1qbm s VAL 201 Ca 0.03 -0.60 0.02 0.00 -1.81 0.00 0.00 61.98 59.62 1qbm s VAL 201 Cb -0.14 -1.20 -0.02 0.00 0.56 0.00 0.00 36.38 35.58 1qbm s VAL 201 CO 0.02 0.40 -0.15 0.00 -0.31 0.00 0.00 175.10 175.06 1qbm s ALA 202 N 0.57 2.55 -0.52 1.32 0.00 -0.20 -1.13 121.76 124.35 1qbm s ALA 202 Ca -0.15 -0.93 0.04 0.00 0.00 0.00 0.00 51.96 50.92 1qbm s ALA 202 Cb -0.16 -1.08 0.14 0.00 0.00 0.00 0.00 23.12 22.01 1qbm s ALA 202 CO 0.05 0.33 0.28 -1.58 0.00 0.00 0.00 175.76 174.84 1qbm s HIS 203 N 0.08 2.90 0.31 0.00 2.46 0.34 -1.89 115.29 119.50 1qbm s HIS 203 Ca -0.07 -3.00 0.08 0.00 0.47 0.00 0.00 55.06 52.54 1qbm s HIS 203 Cb -0.15 -2.55 0.88 0.00 -0.13 0.00 0.00 32.58 30.62 1qbm s HIS 203 CO 0.05 -0.73 1.69 -1.35 -2.47 0.00 0.00 174.74 171.93 1qbm h PRO 204 N 6.41 0.41 0.24 2.88 0.11 -1.80 -0.59 132.00 139.65 1qbm h PRO 204 Ca -0.03 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 1qbm h PRO 204 Cb 0.88 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.89 1qbm h PRO 204 CO 0.64 0.27 -0.24 0.00 -0.21 0.00 0.00 178.00 178.46 1qbm h ALA 205 N 1.76 -0.94 0.00 -0.75 0.00 -1.89 -1.96 119.26 115.49 1qbm h ALA 205 Ca 0.63 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.45 1qbm h ALA 205 Cb 1.28 0.48 0.00 0.00 0.00 0.00 0.00 17.79 19.56 1qbm h ALA 205 CO -0.54 -0.96 0.00 -1.13 0.00 0.00 0.00 179.25 176.62 1qbm n SER 206 N -3.80 0.00 -0.21 0.00 3.41 -1.12 -4.85 113.62 107.05 1qbm n SER 206 Ca -0.06 -0.11 -0.03 0.00 -0.26 0.00 0.00 58.87 58.41 1qbm n SER 206 Cb 0.22 -0.23 -0.01 0.00 -0.26 0.00 0.00 64.21 63.93 1qbm n SER 206 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1qbm n SER 207 N -1.23 -4.87 -4.72 4.04 7.64 -0.26 -4.96 113.62 109.26 1qbm n SER 207 Ca 0.10 0.07 -0.41 0.00 1.01 0.00 0.00 58.87 59.64 1qbm n SER 207 Cb 0.14 -2.61 -0.04 0.00 -1.01 0.00 0.00 64.21 60.69 1qbm n SER 207 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1qbm s THR 208 N -1.59 4.47 -0.12 0.44 2.01 -1.00 -4.90 115.64 114.96 1qbm s THR 208 Ca 0.00 1.95 0.00 0.00 0.31 0.00 0.00 61.69 63.95 1qbm s THR 208 Cb 0.00 -4.25 0.02 0.00 0.01 0.00 0.00 72.50 68.29 1qbm s THR 208 CO 0.00 0.25 -0.10 -0.75 -0.69 0.00 0.00 174.62 173.33 1qbm s LYS 209 N 0.33 1.79 -0.02 4.92 2.36 -1.26 -0.51 119.74 127.36 1qbm s LYS 209 Ca 0.50 -0.37 0.01 0.00 -2.55 0.00 0.00 55.97 53.56 1qbm s LYS 209 Cb -0.24 -1.72 0.01 0.00 -1.05 0.00 0.00 37.83 34.83 1qbm s LYS 209 CO 0.30 -0.21 -0.04 0.54 1.55 0.00 0.00 175.35 177.49 1qbm s VAL 210 N 1.48 0.39 0.05 4.02 0.11 -0.29 -5.01 120.40 121.15 1qbm s VAL 210 Ca 0.02 -0.13 0.05 0.00 -2.93 0.00 0.00 61.98 58.98 1qbm s VAL 210 Cb -0.13 -0.38 -0.04 0.00 -1.53 0.00 0.00 36.38 34.30 1qbm s VAL 210 CO -0.07 0.15 -0.05 -1.81 -3.33 0.00 0.00 175.10 169.98 1qbm s ASP 211 N 0.36 4.70 -0.17 3.54 1.01 -1.26 -0.80 116.67 124.05 1qbm s ASP 211 Ca -0.04 -0.21 -0.04 0.00 0.71 0.00 0.00 52.55 52.97 1qbm s ASP 211 Cb -0.07 -1.06 0.08 0.00 1.01 0.00 0.00 42.92 42.88 1qbm s ASP 211 CO -0.00 0.23 0.27 -0.54 0.21 0.00 0.00 175.17 175.33 1qbm s LYS 212 N -1.86 0.19 0.23 8.23 3.01 -0.07 -4.96 119.74 124.51 1qbm s LYS 212 Ca 0.21 0.55 -0.30 0.00 -1.01 0.00 0.00 55.97 55.41 1qbm s LYS 212 Cb -0.11 -0.48 -0.09 0.00 -1.01 0.00 0.00 37.83 36.14 1qbm s LYS 212 CO 0.12 -0.45 0.98 0.15 0.51 0.00 0.00 175.35 176.65 1qbm s LYS 213 N 2.41 4.79 -0.57 1.68 3.01 -1.26 -0.35 119.74 129.45 1qbm s LYS 213 Ca 0.05 1.55 -0.22 0.00 -1.01 0.00 0.00 55.97 56.34 1qbm s LYS 213 Cb -0.14 -3.27 0.06 0.00 -1.01 0.00 0.00 37.83 33.47 1qbm s LYS 213 CO -0.11 0.42 0.83 0.42 0.51 0.00 0.00 175.35 177.42 1qbm s ILE 214 N -1.03 4.56 -0.07 2.17 1.09 -0.45 -4.85 121.20 122.61 1qbm s ILE 214 Ca 0.42 -0.26 -0.12 0.00 -1.10 0.00 0.00 60.65 59.59 1qbm s ILE 214 Cb -0.27 -4.51 -0.05 0.00 -1.06 0.00 0.00 42.46 36.58 1qbm s ILE 214 CO 0.34 -1.12 0.30 0.54 -0.10 0.00 0.00 174.94 174.89 1qbm s VAL 215 N 3.46 5.24 0.43 2.92 0.11 -1.26 -4.76 120.40 126.54 1qbm s VAL 215 Ca 0.22 0.58 -0.25 0.00 -2.93 0.00 0.00 61.98 59.59 1qbm s VAL 215 Cb -0.17 -3.59 -0.10 0.00 -1.53 0.00 0.00 36.38 30.99 1qbm s VAL 215 CO 0.13 0.56 1.27 -2.65 -3.33 0.00 0.00 175.10 171.08 1qbm n PRO 216 N 2.17 1.90 -0.25 1.54 -0.02 -1.26 -4.71 135.00 134.37 1qbm n PRO 216 Ca -0.16 0.68 -0.06 0.00 -2.02 0.00 0.00 63.50 61.94 1qbm n PRO 216 Cb 0.53 -2.38 0.05 0.00 -0.02 0.00 0.00 33.50 31.68 1qbm n PRO 216 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 1qbm n ARG 217 N 0.01 -1.27 -1.03 -0.52 1.85 -1.26 -4.75 116.66 109.68 1qbm n ARG 217 Ca 0.07 -0.38 -0.23 0.00 -1.00 0.00 0.00 57.85 56.30 1qbm n ARG 217 Cb 0.40 -0.34 -0.08 0.00 -1.05 0.00 0.00 32.46 31.39 1qbm n ARG 217 CO 0.00 0.00 0.00 -1.71 -0.01 0.00 0.00 177.63 175.91 1qbm n ASN 218 N -3.36 6.32 0.00 2.89 5.15 -1.26 -5.16 115.26 119.84 1qbm n ASN 218 Ca 0.03 -2.44 0.00 0.00 -0.60 0.00 0.00 54.58 51.57 1qbm n ASN 218 Cb 0.12 -1.36 0.00 0.00 -0.53 0.00 0.00 39.78 38.02 1qbm n ASN 218 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66