#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qbv s VAL 17 N 0.00 5.03 -1.21 1.39 1.01 0.45 -4.11 120.40 122.97 1qbv s VAL 17 Ca 0.00 0.06 -0.02 0.00 0.00 0.00 0.00 61.98 62.02 1qbv s VAL 17 Cb 0.00 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 33.08 1qbv s VAL 17 CO 0.00 0.41 0.21 -0.62 0.00 0.00 0.00 175.10 175.10 1qbv n GLU 18 N 3.87 -2.29 -1.12 2.72 -0.58 -1.26 -1.72 120.64 120.25 1qbv n GLU 18 Ca -0.16 0.70 -0.02 0.00 -0.42 0.00 0.00 57.16 57.26 1qbv n GLU 18 Cb 0.52 -5.03 0.01 0.00 -0.57 0.00 0.00 31.44 26.37 1qbv n GLU 18 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1qbv n GLY 19 N -1.15 1.70 3.46 0.62 0.00 -1.26 -4.65 105.19 103.91 1qbv n GLY 19 Ca -0.13 -2.10 -0.22 0.00 0.00 0.00 0.00 46.02 43.56 1qbv n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qbv s SER 20 N -1.36 2.74 0.26 1.61 0.01 0.05 -4.89 113.70 112.12 1qbv s SER 20 Ca 0.06 -1.29 -0.30 0.00 1.31 0.00 0.00 55.95 55.73 1qbv s SER 20 Cb -0.00 -0.16 -0.11 0.00 0.21 0.00 0.00 66.02 65.95 1qbv s SER 20 CO 0.04 -0.47 1.54 -1.81 0.41 0.00 0.00 173.24 172.96 1qbv s ASP 21 N -3.49 6.50 0.64 2.44 1.11 -1.26 -0.14 116.67 122.46 1qbv s ASP 21 Ca 0.33 2.80 -0.16 0.00 0.18 0.00 0.00 52.55 55.70 1qbv s ASP 21 Cb 0.07 -2.62 -0.01 0.00 1.07 0.00 0.00 42.92 41.42 1qbv s ASP 21 CO 0.14 -0.83 1.13 0.00 1.18 0.00 0.00 175.17 176.80 1qbv s ALA 22 N 0.21 2.47 0.60 5.23 0.00 0.71 -4.76 121.76 126.22 1qbv s ALA 22 Ca 0.63 0.68 -0.14 0.00 0.00 0.00 0.00 51.96 53.13 1qbv s ALA 22 Cb -0.45 -3.36 -0.04 0.00 0.00 0.00 0.00 23.12 19.27 1qbv s ALA 22 CO 0.43 -1.25 1.04 -1.21 0.00 0.00 0.00 175.76 174.77 1qbv s GLU 23 N -3.85 3.38 0.22 0.00 2.02 -1.26 -4.93 118.70 114.28 1qbv s GLU 23 Ca 0.70 1.07 -0.31 0.00 0.02 0.00 0.00 54.97 56.44 1qbv s GLU 23 Cb -0.23 -2.05 -0.11 0.00 0.10 0.00 0.00 34.13 31.84 1qbv s GLU 23 CO 0.38 -0.75 1.62 0.42 0.02 0.00 0.00 175.26 176.95 1qbv s ILE 24 N -2.67 2.27 0.00 -1.63 -1.09 -1.26 -2.08 121.20 114.75 1qbv s ILE 24 Ca 0.61 0.21 0.00 0.00 -2.23 0.00 0.00 60.65 59.24 1qbv s ILE 24 Cb -0.14 -3.13 0.00 0.00 -1.58 0.00 0.00 42.46 37.61 1qbv s ILE 24 CO 0.41 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.75 1qbv n GLY 25 N 3.30 0.38 0.22 6.18 0.00 -1.26 -4.90 105.19 109.11 1qbv n GLY 25 Ca 0.12 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.09 1qbv n GLY 25 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 1qbv h MET 26 N 0.88 0.48 -2.48 1.61 -1.53 -1.79 -3.34 114.93 108.77 1qbv h MET 26 Ca 0.00 -0.23 -0.59 0.00 -3.44 0.00 0.00 59.70 55.44 1qbv h MET 26 Cb 0.29 -0.01 -0.40 0.00 -0.55 0.00 0.00 31.60 30.94 1qbv h MET 26 CO 0.00 0.78 -0.84 0.43 0.14 0.00 0.00 176.91 177.42 1qbv n SER 27 N -4.05 1.16 0.00 1.39 7.64 -1.26 -4.97 113.62 113.53 1qbv n SER 27 Ca -0.01 -2.80 0.11 0.00 1.01 0.00 0.00 58.87 57.18 1qbv n SER 27 Cb 0.48 -0.64 0.59 0.00 -1.01 0.00 0.00 64.21 63.63 1qbv n SER 27 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1qbv n PRO 28 N 2.08 0.36 0.00 1.43 -0.04 -1.26 -1.28 135.00 136.29 1qbv n PRO 28 Ca 0.26 0.06 0.13 0.00 -0.04 0.00 0.00 63.50 63.90 1qbv n PRO 28 Cb 0.44 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.73 1qbv n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1qbv n TRP 29 N -1.26 0.00 -2.03 0.54 2.14 -0.98 -1.85 117.44 113.99 1qbv n TRP 29 Ca 0.11 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.26 1qbv n TRP 29 Cb 0.17 -0.16 -0.03 0.00 -0.81 0.00 0.00 31.31 30.48 1qbv n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 1qbv s GLN 30 N -2.67 4.25 0.01 -2.67 2.00 -0.40 -0.61 119.66 119.58 1qbv s GLN 30 Ca 0.20 2.23 0.08 0.00 -2.00 0.00 0.00 55.36 55.87 1qbv s GLN 30 Cb 0.19 -3.29 -0.03 0.00 0.80 0.00 0.00 33.01 30.68 1qbv s GLN 30 CO 0.58 -0.57 -0.25 0.08 -0.50 0.00 0.00 175.29 174.64 1qbv s VAL 31 N 1.49 2.22 -0.27 1.34 1.01 -0.42 -4.17 120.40 121.59 1qbv s VAL 31 Ca 0.68 -1.23 -0.09 0.00 0.00 0.00 0.00 61.98 61.34 1qbv s VAL 31 Cb -0.40 -1.83 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 1qbv s VAL 31 CO 0.31 0.46 0.13 -0.32 0.00 0.00 0.00 175.10 175.68 1qbv s MET 32 N -0.99 3.80 -0.12 2.72 1.75 0.05 -1.82 119.30 124.69 1qbv s MET 32 Ca 0.11 -0.40 -0.29 0.00 -1.25 0.00 0.00 55.69 53.86 1qbv s MET 32 Cb -0.10 -3.50 -0.01 0.00 2.84 0.00 0.00 34.83 34.06 1qbv s MET 32 CO 0.01 -0.19 1.05 -0.51 -0.65 0.00 0.00 175.02 174.73 1qbv s LEU 33 N 1.69 4.22 -0.11 4.11 1.02 -0.25 -0.68 118.68 128.68 1qbv s LEU 33 Ca 0.07 1.55 -0.00 0.00 0.02 0.00 0.00 54.13 55.76 1qbv s LEU 33 Cb -0.16 -3.55 0.02 0.00 0.02 0.00 0.00 46.19 42.53 1qbv s LEU 33 CO 0.07 -0.52 -0.08 0.12 0.02 0.00 0.00 176.35 175.97 1qbv s PHE 34 N 2.30 1.50 0.22 0.29 2.19 0.43 -0.29 117.98 124.61 1qbv s PHE 34 Ca 0.49 -0.75 -0.30 0.00 0.33 0.00 0.00 56.93 56.70 1qbv s PHE 34 Cb -0.19 -1.24 -0.09 0.00 -1.31 0.00 0.00 43.02 40.20 1qbv s PHE 34 CO 0.16 -0.52 1.19 0.50 1.83 0.00 0.00 175.22 178.38 1qbv s ARG 35 N 1.71 4.51 -0.04 10.12 3.52 0.13 -1.02 118.95 137.88 1qbv s ARG 35 Ca 0.05 1.89 -0.26 0.00 -0.13 0.00 0.00 55.73 57.28 1qbv s ARG 35 Cb -0.13 -3.22 -0.21 0.00 -1.56 0.00 0.00 34.95 29.84 1qbv s ARG 35 CO -0.08 -0.03 1.18 0.87 -0.81 0.00 0.00 175.30 176.43 1qbv h LYS 36 N 4.79 -0.01 -2.68 5.12 1.57 -1.82 -2.78 116.57 120.77 1qbv h LYS 36 Ca -0.45 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.19 1qbv h LYS 36 Cb 1.21 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 33.24 1qbv h LYS 36 CO 0.72 0.54 -0.41 -1.54 -0.57 0.00 0.00 179.45 178.20 1qbv s SER 36 N -5.75 -0.15 0.41 0.86 1.04 -1.26 -3.03 113.70 105.81 1qbv s SER 36 Ca -0.16 0.82 -0.26 0.00 0.48 0.00 0.00 55.95 56.83 1qbv s SER 36 Cb 0.01 0.96 -0.09 0.00 0.10 0.00 0.00 66.02 67.00 1qbv s SER 36 CO 0.67 -0.22 1.36 -2.16 0.98 0.00 0.00 173.24 173.87 1qbv s PRO 37 N 2.17 3.95 -0.43 4.02 0.04 -1.26 -5.03 135.00 138.46 1qbv s PRO 37 Ca -0.03 2.29 -0.27 0.00 0.04 0.00 0.00 61.00 63.03 1qbv s PRO 37 Cb -0.11 -2.79 -0.04 0.00 0.04 0.00 0.00 34.50 31.60 1qbv s PRO 37 CO -0.11 -0.56 2.07 -0.65 0.04 0.00 0.00 177.00 177.79 1qbv s GLN 38 N -2.23 2.76 0.03 4.56 -0.21 -1.17 -4.60 119.66 118.80 1qbv s GLN 38 Ca 0.57 1.33 -0.10 0.00 0.02 0.00 0.00 55.36 57.17 1qbv s GLN 38 Cb -0.41 -4.39 0.01 0.00 1.00 0.00 0.00 33.01 29.22 1qbv s GLN 38 CO 0.53 -2.53 0.21 -1.83 -2.12 0.00 0.00 175.29 169.55 1qbv s GLU 39 N 6.88 0.66 0.01 2.91 -1.05 -1.05 -4.95 118.70 122.12 1qbv s GLU 39 Ca 0.85 -0.53 -0.30 0.00 -0.15 0.00 0.00 54.97 54.84 1qbv s GLU 39 Cb -0.20 0.28 -0.06 0.00 -0.44 0.00 0.00 34.13 33.70 1qbv s GLU 39 CO 0.28 -0.19 1.48 -1.17 0.95 0.00 0.00 175.26 176.62 1qbv s LEU 40 N -1.87 4.33 -0.12 1.83 2.96 -1.26 0.22 118.68 124.77 1qbv s LEU 40 Ca -0.08 2.22 -0.15 0.00 -0.22 0.00 0.00 54.13 55.89 1qbv s LEU 40 Cb -0.03 -3.56 -0.26 0.00 0.50 0.00 0.00 46.19 42.84 1qbv s LEU 40 CO -0.02 -0.78 0.49 -0.07 -1.32 0.00 0.00 176.35 174.66 1qbv h LEU 41 N 8.51 0.33 -7.11 -0.68 4.07 -1.01 -3.46 115.31 115.96 1qbv h LEU 41 Ca -0.39 -0.83 0.29 0.00 0.08 0.00 0.00 57.88 57.04 1qbv h LEU 41 Cb 1.18 -0.11 -0.16 0.00 1.08 0.00 0.00 40.66 42.66 1qbv h LEU 41 CO 0.91 1.63 0.83 0.00 -1.08 0.00 0.00 178.44 180.73 1qbv n GLY 43 N -0.29 -0.02 3.91 0.00 0.00 0.33 -1.09 105.19 108.03 1qbv n GLY 43 Ca -0.04 -1.90 0.04 0.00 0.00 0.00 0.00 46.02 44.13 1qbv n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qbv s ALA 44 N -3.36 -2.67 0.01 4.61 0.00 -0.75 -3.79 121.76 115.80 1qbv s ALA 44 Ca 0.44 0.33 -0.04 0.00 0.00 0.00 0.00 51.96 52.70 1qbv s ALA 44 Cb -0.02 0.77 -0.01 0.00 0.00 0.00 0.00 23.12 23.86 1qbv s ALA 44 CO 0.30 -1.15 0.06 -1.54 0.00 0.00 0.00 175.76 173.43 1qbv s SER 45 N -3.70 0.12 -0.32 0.00 1.04 -0.28 -1.30 113.70 109.25 1qbv s SER 45 Ca 0.28 -0.32 -0.15 0.00 0.48 0.00 0.00 55.95 56.23 1qbv s SER 45 Cb 0.02 0.15 -0.02 0.00 0.10 0.00 0.00 66.02 66.27 1qbv s SER 45 CO -0.03 -0.32 0.38 -0.22 0.98 0.00 0.00 173.24 174.02 1qbv s LEU 46 N -1.34 4.29 -0.01 2.42 2.96 0.23 -0.85 118.68 126.37 1qbv s LEU 46 Ca -0.15 -0.04 0.11 0.00 -0.22 0.00 0.00 54.13 53.84 1qbv s LEU 46 Cb -0.08 -2.39 -0.15 0.00 0.50 0.00 0.00 46.19 44.07 1qbv s LEU 46 CO 0.00 -0.30 0.34 2.30 -1.32 0.00 0.00 176.35 177.38 1qbv n ILE 47 N 5.22 0.00 -3.51 6.68 -5.35 -0.86 -1.52 119.36 120.01 1qbv n ILE 47 Ca -0.09 -0.25 -0.04 0.00 -0.27 0.00 0.00 62.75 62.11 1qbv n ILE 47 Cb 0.50 0.56 -0.00 0.00 -1.74 0.00 0.00 39.64 38.96 1qbv n ILE 47 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 1qbv n SER 48 N -1.63 -0.50 0.00 7.28 3.41 -1.19 -4.70 113.62 116.29 1qbv n SER 48 Ca -0.00 -1.51 0.10 0.00 -0.26 0.00 0.00 58.87 57.20 1qbv n SER 48 Cb 0.24 0.88 0.53 0.00 -0.26 0.00 0.00 64.21 65.60 1qbv n SER 48 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1qbv n ASP 49 N -1.65 0.00 0.00 4.04 5.75 -1.26 -3.27 116.55 120.16 1qbv n ASP 49 Ca -0.01 -0.11 0.00 0.00 -0.01 0.00 0.00 54.79 54.67 1qbv n ASP 49 Cb 0.17 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.02 1qbv n ASP 49 CO 0.00 0.00 0.00 0.54 -0.11 0.00 0.00 177.20 177.63 1qbv n ARG 50 N -1.24 1.14 -5.01 0.11 1.74 -1.26 -0.17 116.66 111.97 1qbv n ARG 50 Ca 0.11 -0.09 -0.29 0.00 -0.77 0.00 0.00 57.85 56.81 1qbv n ARG 50 Cb 0.15 -0.43 -0.16 0.00 -1.02 0.00 0.00 32.46 31.00 1qbv n ARG 50 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1qbv s TRP 51 N -0.19 2.07 -0.06 -1.55 0.52 -1.20 -0.50 118.94 118.03 1qbv s TRP 51 Ca 0.00 -0.70 0.06 0.00 0.02 0.00 0.00 56.10 55.48 1qbv s TRP 51 Cb 0.00 -1.39 -0.01 0.00 -1.15 0.00 0.00 33.47 30.92 1qbv s TRP 51 CO 0.00 -0.26 -0.24 0.08 0.02 0.00 0.00 176.95 176.55 1qbv s VAL 52 N 0.15 1.98 -0.14 4.03 1.01 -0.39 -2.03 120.40 125.03 1qbv s VAL 52 Ca -0.09 -1.02 -0.05 0.00 0.00 0.00 0.00 61.98 60.82 1qbv s VAL 52 Cb -0.14 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.52 1qbv s VAL 52 CO 0.04 0.55 0.04 -0.22 0.00 0.00 0.00 175.10 175.51 1qbv s LEU 53 N -0.10 3.73 0.00 3.92 2.96 -0.03 -0.80 118.68 128.37 1qbv s LEU 53 Ca -0.05 0.13 -0.01 0.00 -0.22 0.00 0.00 54.13 53.97 1qbv s LEU 53 Cb -0.14 -1.90 0.01 0.00 0.50 0.00 0.00 46.19 44.65 1qbv s LEU 53 CO 0.04 0.28 0.35 1.07 -1.32 0.00 0.00 176.35 176.76 1qbv n THR 54 N 2.85 0.00 -3.14 3.68 5.66 -0.50 -1.13 114.28 121.70 1qbv n THR 54 Ca -0.18 -1.28 -0.39 0.00 -3.05 0.00 0.00 64.05 59.15 1qbv n THR 54 Cb 0.53 0.78 -0.06 0.00 -1.55 0.00 0.00 70.33 70.04 1qbv n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1qbv s ALA 55 N -2.44 3.48 0.48 1.79 0.00 -1.26 -1.85 121.76 121.95 1qbv s ALA 55 Ca 0.21 0.13 0.17 0.00 0.00 0.00 0.00 51.96 52.47 1qbv s ALA 55 Cb -0.01 -2.80 1.18 0.00 0.00 0.00 0.00 23.12 21.49 1qbv s ALA 55 CO 0.15 0.22 2.03 0.00 0.00 0.00 0.00 175.76 178.15 1qbv h ALA 56 N 5.21 2.13 0.00 0.00 0.00 -1.70 -1.78 119.26 123.12 1qbv h ALA 56 Ca -0.46 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1qbv h ALA 56 Cb 1.21 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1qbv h ALA 56 CO 0.68 -0.23 0.00 -2.39 0.00 0.00 0.00 179.25 177.31 1qbv n HIS 57 N -4.46 0.77 0.23 0.00 1.44 -1.26 -0.89 115.22 111.05 1qbv n HIS 57 Ca 0.06 0.28 0.08 0.00 -2.01 0.00 0.00 57.72 56.14 1qbv n HIS 57 Cb 0.35 -0.96 0.56 0.00 0.12 0.00 0.00 29.99 30.06 1qbv n HIS 57 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1qbv n LEU 59 N -3.89 1.28 -3.65 0.00 4.77 -0.21 -4.87 117.00 110.41 1qbv n LEU 59 Ca -0.02 -0.03 -0.24 0.00 -0.03 0.00 0.00 56.01 55.69 1qbv n LEU 59 Cb 0.30 -0.06 -0.17 0.00 -2.33 0.00 0.00 43.42 41.16 1qbv n LEU 59 CO 0.34 0.48 -0.34 -0.22 -1.33 0.00 0.00 177.39 176.32 1qbv s LEU 60 N -5.27 0.38 0.15 2.23 2.96 -0.07 -0.18 118.68 118.89 1qbv s LEU 60 Ca -0.12 -0.38 -0.16 0.00 -0.22 0.00 0.00 54.13 53.25 1qbv s LEU 60 Cb 0.04 -0.26 0.03 0.00 0.50 0.00 0.00 46.19 46.50 1qbv s LEU 60 CO 0.41 -0.30 0.44 -0.47 -1.32 0.00 0.00 176.35 175.11 1qbv s TYR 60 N 2.11 -0.14 0.00 5.38 5.04 0.55 -4.09 117.35 126.20 1qbv s TYR 60 Ca 0.03 -0.19 0.00 0.00 -2.44 0.00 0.00 57.07 54.47 1qbv s TYR 60 Cb -0.15 0.29 0.00 0.00 0.35 0.00 0.00 41.96 42.46 1qbv s TYR 60 CO -0.07 -0.79 0.00 -2.30 -1.34 0.00 0.00 175.55 171.06 1qbv n PRO 60 N -0.27 0.00 -0.43 4.97 -0.02 -1.26 -1.87 135.00 136.12 1qbv n PRO 60 Ca -0.13 0.00 0.10 0.00 -2.02 0.00 0.00 63.50 61.44 1qbv n PRO 60 Cb 0.63 0.00 0.30 0.00 -0.02 0.00 0.00 33.50 34.41 1qbv n PRO 60 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1qbv n TRP 60 N 0.00 1.07 -3.89 6.00 8.01 -1.26 -4.97 117.44 122.40 1qbv n TRP 60 Ca 0.00 -0.56 -0.29 0.00 -1.31 0.00 0.00 57.50 55.34 1qbv n TRP 60 Cb 0.00 -0.11 0.03 0.00 -2.01 0.00 0.00 31.31 29.21 1qbv n TRP 60 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.69 176.43 1qbv n ASP 60 N 1.12 -4.37 -4.58 -0.99 8.00 -1.12 -4.97 116.55 109.64 1qbv n ASP 60 Ca 0.22 -0.78 -0.37 0.00 0.71 0.00 0.00 54.79 54.57 1qbv n ASP 60 Cb 0.70 -3.90 -0.11 0.00 -0.02 0.00 0.00 41.12 37.79 1qbv n ASP 60 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1qbv s LYS 60 N -6.55 3.91 -0.51 -1.24 2.20 -0.78 -5.00 119.74 111.78 1qbv s LYS 60 Ca 0.58 -0.35 0.07 0.00 -0.36 0.00 0.00 55.97 55.91 1qbv s LYS 60 Cb -0.29 -3.48 0.19 0.00 -1.51 0.00 0.00 37.83 32.74 1qbv s LYS 60 CO 0.83 -0.05 0.69 -1.71 -0.36 0.00 0.00 175.35 174.75 1qbv n ASN 60 N 4.60 -3.15 -4.78 1.43 5.15 -1.20 -0.33 115.26 116.98 1qbv n ASN 60 Ca -0.15 -2.87 -0.37 0.00 -0.60 0.00 0.00 54.58 50.59 1qbv n ASN 60 Cb 0.52 1.52 -0.06 0.00 -0.53 0.00 0.00 39.78 41.23 1qbv n ASN 60 CO 0.00 0.00 0.00 -0.36 1.40 0.00 0.00 177.26 178.30 1qbv s PHE 60 N 0.78 3.61 0.54 1.20 0.08 0.75 -5.00 117.98 119.93 1qbv s PHE 60 Ca 0.30 1.75 0.03 0.00 0.12 0.00 0.00 56.93 59.14 1qbv s PHE 60 Cb 0.01 -2.95 0.02 0.00 -0.57 0.00 0.00 43.02 39.53 1qbv s PHE 60 CO -0.07 0.07 0.25 0.95 -0.10 0.00 0.00 175.22 176.32 1qbv s THR 60 N -1.66 1.40 0.24 0.64 -4.23 -1.26 -4.87 115.64 105.90 1qbv s THR 60 Ca 0.52 -1.69 -0.05 0.00 -1.18 0.00 0.00 61.69 59.28 1qbv s THR 60 Cb -0.19 -2.09 0.21 0.00 1.34 0.00 0.00 72.50 71.78 1qbv s THR 60 CO 0.24 0.00 1.71 -0.33 -0.54 0.00 0.00 174.62 175.70 1qbv h GLU 61 N 0.95 0.34 -0.00 3.99 3.07 -1.94 -0.91 114.58 120.07 1qbv h GLU 61 Ca -0.39 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.45 1qbv h GLU 61 Cb 1.31 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 29.15 1qbv h GLU 61 CO 0.63 0.23 -0.01 0.09 -1.40 0.00 0.00 179.01 178.55 1qbv n ASN 62 N -5.08 0.37 0.04 1.42 3.02 -1.26 -2.34 115.26 111.44 1qbv n ASN 62 Ca 0.13 -0.99 0.13 0.00 -0.03 0.00 0.00 54.58 53.82 1qbv n ASN 62 Cb 0.41 -0.03 0.45 0.00 -0.61 0.00 0.00 39.78 40.01 1qbv n ASN 62 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1qbv n ASP 63 N -0.77 0.43 -4.22 6.41 8.00 -0.35 -4.93 116.55 121.11 1qbv n ASP 63 Ca 0.21 0.41 -0.21 0.00 0.71 0.00 0.00 54.79 55.91 1qbv n ASP 63 Cb 0.19 -0.46 -0.12 0.00 -0.02 0.00 0.00 41.12 40.71 1qbv n ASP 63 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1qbv s LEU 64 N -3.69 2.30 -0.01 0.64 1.43 -0.99 -2.63 118.68 115.73 1qbv s LEU 64 Ca 0.12 -0.66 0.03 0.00 -1.03 0.00 0.00 54.13 52.59 1qbv s LEU 64 Cb 0.16 -0.67 -0.01 0.00 0.03 0.00 0.00 46.19 45.70 1qbv s LEU 64 CO 0.59 -0.03 -0.09 -0.76 0.23 0.00 0.00 176.35 176.29 1qbv s LEU 65 N -1.86 2.00 -0.19 1.79 1.02 -0.19 -4.44 118.68 116.80 1qbv s LEU 65 Ca 0.02 -0.17 -0.09 0.00 0.02 0.00 0.00 54.13 53.91 1qbv s LEU 65 Cb -0.10 -0.49 -0.05 0.00 0.02 0.00 0.00 46.19 45.58 1qbv s LEU 65 CO 0.03 0.11 0.11 0.68 0.02 0.00 0.00 176.35 177.30 1qbv s VAL 66 N -0.18 5.24 -0.17 -1.59 -7.23 -0.50 -0.43 120.40 115.54 1qbv s VAL 66 Ca 0.03 0.13 -0.03 0.00 -1.81 0.00 0.00 61.98 60.30 1qbv s VAL 66 Cb -0.04 -3.38 -0.02 0.00 0.56 0.00 0.00 36.38 33.50 1qbv s VAL 66 CO -0.00 0.45 -0.05 -0.13 -0.31 0.00 0.00 175.10 175.06 1qbv s ARG 67 N 0.32 3.54 -0.03 4.82 0.52 0.14 -0.17 118.95 128.10 1qbv s ARG 67 Ca 0.07 -0.58 0.05 0.00 -0.52 0.00 0.00 55.73 54.75 1qbv s ARG 67 Cb -0.11 -2.90 -0.01 0.00 0.52 0.00 0.00 34.95 32.45 1qbv s ARG 67 CO -0.01 0.11 -0.17 0.42 0.02 0.00 0.00 175.30 175.66 1qbv s ILE 68 N 0.69 1.39 0.00 1.52 1.01 0.62 -0.77 121.20 125.66 1qbv s ILE 68 Ca -0.03 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 59.90 1qbv s ILE 68 Cb -0.15 -1.18 0.00 0.00 0.01 0.00 0.00 42.46 41.15 1qbv s ILE 68 CO 0.02 0.40 0.00 0.61 0.00 0.00 0.00 174.94 175.97 1qbv n GLY 69 N 2.92 0.93 3.88 6.18 0.00 -1.26 -0.33 105.19 117.51 1qbv n GLY 69 Ca -0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 1qbv n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qbv s LYS 70 N -0.96 3.63 0.19 1.61 1.02 -1.26 -4.34 119.74 119.63 1qbv s LYS 70 Ca 0.00 0.56 0.00 0.00 0.02 0.00 0.00 55.97 56.55 1qbv s LYS 70 Cb 0.00 -2.21 0.00 0.00 -0.52 0.00 0.00 37.83 35.10 1qbv s LYS 70 CO 0.00 -0.37 0.00 1.58 -0.92 0.00 0.00 175.35 175.64 1qbv n HIS 71 N -2.35 -1.51 -2.10 3.18 -0.00 -1.26 -4.93 115.22 106.25 1qbv n HIS 71 Ca 0.04 0.27 -0.41 0.00 -0.00 0.00 0.00 57.72 57.61 1qbv n HIS 71 Cb 0.54 0.41 -0.03 0.00 -0.00 0.00 0.00 29.99 30.91 1qbv n HIS 71 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1qbv s SER 72 N -5.24 6.75 0.09 0.26 0.15 -1.26 -0.09 113.70 114.36 1qbv s SER 72 Ca 0.00 2.54 -0.20 0.00 0.70 0.00 0.00 55.95 58.99 1qbv s SER 72 Cb 0.00 -2.61 -0.09 0.00 -1.71 0.00 0.00 66.02 61.60 1qbv s SER 72 CO 0.00 -0.64 1.63 -0.09 1.20 0.00 0.00 173.24 175.34 1qbv h ARG 73 N 5.37 0.27 0.00 5.44 2.43 -1.33 -3.39 114.38 123.17 1qbv h ARG 73 Ca -0.45 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 58.61 1qbv h ARG 73 Cb 1.21 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.71 1qbv h ARG 73 CO 0.79 0.34 -1.69 0.25 -1.51 0.00 0.00 179.97 178.15 1qbv n THR 74 N -4.85 0.23 -2.25 0.20 -2.24 -1.26 -4.98 114.28 99.13 1qbv n THR 74 Ca -0.04 -0.37 -0.38 0.00 -2.27 0.00 0.00 64.05 60.98 1qbv n THR 74 Cb 0.12 -0.04 -0.01 0.00 -2.10 0.00 0.00 70.33 68.30 1qbv n THR 74 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1qbv s ARG 75 N -2.78 3.94 -0.47 -0.78 3.00 -1.26 -4.98 118.95 115.61 1qbv s ARG 75 Ca -0.05 1.85 -0.24 0.00 0.00 0.00 0.00 55.73 57.29 1qbv s ARG 75 Cb 0.07 -2.59 0.03 0.00 0.00 0.00 0.00 34.95 32.46 1qbv s ARG 75 CO 0.56 -0.42 0.87 -0.47 0.00 0.00 0.00 175.30 175.84 1qbv s TYR 76 N -1.44 2.92 -1.17 -0.53 5.04 -1.26 -4.90 117.35 116.02 1qbv s TYR 76 Ca 0.59 0.22 -0.16 0.00 -2.44 0.00 0.00 57.07 55.28 1qbv s TYR 76 Cb -0.31 -3.87 0.14 0.00 0.35 0.00 0.00 41.96 38.27 1qbv s TYR 76 CO 0.38 -1.11 1.43 -1.21 -1.34 0.00 0.00 175.55 173.71 1qbv s GLU 77 N 3.61 3.97 0.17 4.97 2.02 -1.26 -4.96 118.70 127.22 1qbv s GLU 77 Ca 0.33 -2.29 -0.32 0.00 0.02 0.00 0.00 54.97 52.70 1qbv s GLU 77 Cb -0.11 -5.12 -0.12 0.00 0.10 0.00 0.00 34.13 28.87 1qbv s GLU 77 CO 0.24 -1.86 1.73 -2.13 0.02 0.00 0.00 175.26 173.25 1qbv n ARG 77 N 6.36 2.66 -0.86 1.61 0.63 -1.26 -0.96 116.66 124.83 1qbv n ARG 77 Ca 0.36 0.96 0.00 0.00 -0.92 0.00 0.00 57.85 58.25 1qbv n ARG 77 Cb 0.45 -2.80 0.00 0.00 0.45 0.00 0.00 32.46 30.55 1qbv n ARG 77 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1qbv n ASN 78 N 4.32 -0.12 -0.01 6.15 5.03 -1.26 -4.75 115.26 124.62 1qbv n ASN 78 Ca 0.17 0.00 -0.04 0.00 0.87 0.00 0.00 54.58 55.57 1qbv n ASN 78 Cb 0.34 -0.77 -0.01 0.00 -1.02 0.00 0.00 39.78 38.32 1qbv n ASN 78 CO 0.00 0.00 0.00 -0.38 -1.83 0.00 0.00 177.26 175.05 1qbv n ILE 79 N -2.02 0.80 -2.66 2.41 5.41 -0.48 -5.06 119.36 117.75 1qbv n ILE 79 Ca 0.00 0.13 -0.32 0.00 1.00 0.00 0.00 62.75 63.55 1qbv n ILE 79 Cb 0.00 -1.67 -0.05 0.00 -0.71 0.00 0.00 39.64 37.22 1qbv n ILE 79 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 1qbv s GLU 80 N -2.15 4.00 -0.04 0.38 -1.05 -0.14 -4.77 118.70 114.93 1qbv s GLU 80 Ca -0.07 0.89 0.06 0.00 -0.15 0.00 0.00 54.97 55.70 1qbv s GLU 80 Cb 0.02 -2.22 -0.02 0.00 -0.44 0.00 0.00 34.13 31.47 1qbv s GLU 80 CO 0.10 -0.12 -0.21 0.15 0.95 0.00 0.00 175.26 176.12 1qbv s LYS 81 N -3.68 2.35 -0.19 -4.83 -0.14 0.55 -4.91 119.74 108.89 1qbv s LYS 81 Ca 0.58 -0.84 -0.03 0.00 -1.36 0.00 0.00 55.97 54.33 1qbv s LYS 81 Cb -0.10 -2.19 -0.01 0.00 -1.68 0.00 0.00 37.83 33.85 1qbv s LYS 81 CO 0.25 0.54 -0.07 0.42 -0.76 0.00 0.00 175.35 175.73 1qbv s ILE 82 N -0.55 3.30 0.17 2.17 1.01 -1.26 -0.28 121.20 125.76 1qbv s ILE 82 Ca 0.08 -0.54 0.11 0.00 0.00 0.00 0.00 60.65 60.30 1qbv s ILE 82 Cb -0.11 -2.47 -0.04 0.00 0.01 0.00 0.00 42.46 39.85 1qbv s ILE 82 CO 0.00 0.46 -0.24 -0.44 0.00 0.00 0.00 174.94 174.72 1qbv s SER 83 N 1.08 3.32 0.20 3.58 0.01 0.76 -4.98 113.70 117.67 1qbv s SER 83 Ca 0.01 -0.83 -0.01 0.00 1.31 0.00 0.00 55.95 56.43 1qbv s SER 83 Cb -0.15 -0.23 -0.04 0.00 0.21 0.00 0.00 66.02 65.81 1qbv s SER 83 CO -0.01 0.12 0.39 -0.04 0.41 0.00 0.00 173.24 174.12 1qbv s MET 84 N -2.50 3.52 -0.03 12.44 -1.94 -1.26 -1.41 119.30 128.13 1qbv s MET 84 Ca 0.18 -0.33 -0.14 0.00 -1.71 0.00 0.00 55.69 53.70 1qbv s MET 84 Cb -0.08 -2.84 -0.05 0.00 2.01 0.00 0.00 34.83 33.86 1qbv s MET 84 CO 0.08 0.40 0.37 -0.51 -0.01 0.00 0.00 175.02 175.36 1qbv s LEU 85 N -3.29 4.44 -0.11 -0.03 1.43 -1.26 -0.55 118.68 119.31 1qbv s LEU 85 Ca 0.39 0.87 -0.07 0.00 -1.03 0.00 0.00 54.13 54.29 1qbv s LEU 85 Cb -0.11 -2.51 -0.27 0.00 0.03 0.00 0.00 46.19 43.33 1qbv s LEU 85 CO 0.29 0.31 0.42 -0.08 0.23 0.00 0.00 176.35 177.52 1qbv h GLU 86 N 4.95 0.28 -1.85 1.70 4.81 -0.42 -3.43 114.58 120.60 1qbv h GLU 86 Ca -0.51 -0.47 0.01 0.00 -0.13 0.00 0.00 59.36 58.26 1qbv h GLU 86 Cb 1.22 0.18 -0.23 0.00 0.63 0.00 0.00 28.75 30.54 1qbv h GLU 86 CO 0.62 1.21 0.21 0.21 -0.73 0.00 0.00 179.01 180.53 1qbv s LYS 87 N -2.56 0.69 -0.11 1.92 2.36 -1.12 -5.00 119.74 115.91 1qbv s LYS 87 Ca -0.21 0.91 -0.02 0.00 -2.55 0.00 0.00 55.97 54.10 1qbv s LYS 87 Cb 0.06 0.28 -0.03 0.00 -1.05 0.00 0.00 37.83 37.10 1qbv s LYS 87 CO 0.78 -0.10 -0.03 0.42 1.55 0.00 0.00 175.35 177.98 1qbv s ILE 88 N 0.68 3.99 -0.16 5.43 1.01 -1.26 -0.65 121.20 130.24 1qbv s ILE 88 Ca -0.02 -0.35 0.00 0.00 0.00 0.00 0.00 60.65 60.29 1qbv s ILE 88 Cb -0.05 -2.70 0.03 0.00 0.01 0.00 0.00 42.46 39.75 1qbv s ILE 88 CO -0.06 0.55 -0.11 -0.31 0.00 0.00 0.00 174.94 175.01 1qbv s TYR 89 N -0.33 2.14 -0.07 3.97 1.51 0.10 -4.99 117.35 119.68 1qbv s TYR 89 Ca 0.06 -1.28 -0.04 0.00 -1.01 0.00 0.00 57.07 54.80 1qbv s TYR 89 Cb -0.12 -1.55 -0.04 0.00 -0.11 0.00 0.00 41.96 40.14 1qbv s TYR 89 CO 0.02 -0.67 0.10 0.42 -1.11 0.00 0.00 175.55 174.31 1qbv s ILE 90 N 1.49 5.04 0.07 2.71 -1.09 -1.26 -0.11 121.20 128.06 1qbv s ILE 90 Ca 0.03 -0.09 -0.35 0.00 -2.23 0.00 0.00 60.65 58.00 1qbv s ILE 90 Cb -0.14 -3.23 -0.15 0.00 -1.58 0.00 0.00 42.46 37.36 1qbv s ILE 90 CO -0.09 0.51 1.56 1.57 -1.23 0.00 0.00 174.94 177.25 1qbv n HIS 91 N 1.67 2.03 0.31 3.97 -0.00 -1.02 -4.84 115.22 117.34 1qbv n HIS 91 Ca -0.17 0.37 0.18 0.00 -0.00 0.00 0.00 57.72 58.10 1qbv n HIS 91 Cb 0.54 -2.49 1.02 0.00 -0.00 0.00 0.00 29.99 29.06 1qbv n HIS 91 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1qbv h PRO 92 N 6.03 0.00 -0.19 1.57 0.13 -1.94 -2.09 132.00 135.51 1qbv h PRO 92 Ca -0.46 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 1qbv h PRO 92 Cb 1.29 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.39 1qbv h PRO 92 CO 0.87 0.01 -0.06 0.54 -0.23 0.00 0.00 178.00 179.12 1qbv n ARG 93 N -3.53 2.08 -1.67 0.86 1.74 -1.26 -5.00 116.66 109.88 1qbv n ARG 93 Ca -0.03 -2.90 -0.47 0.00 -0.77 0.00 0.00 57.85 53.68 1qbv n ARG 93 Cb 0.09 -1.72 -0.04 0.00 -1.02 0.00 0.00 32.46 29.76 1qbv n ARG 93 CO 0.00 0.00 0.00 0.98 -1.52 0.00 0.00 177.63 177.09 1qbv n TYR 94 N -0.98 2.27 -3.46 -1.55 9.36 -0.79 -4.69 117.16 117.33 1qbv n TYR 94 Ca 0.23 0.18 -0.42 0.00 3.32 0.00 0.00 57.90 61.20 1qbv n TYR 94 Cb 0.84 -2.58 -0.03 0.00 -0.63 0.00 0.00 39.34 36.94 1qbv n TYR 94 CO 0.00 0.00 0.00 1.21 0.22 0.00 0.00 176.86 178.29 1qbv s ASN 95 N 2.11 6.69 0.47 2.98 3.84 0.86 -4.82 114.94 127.08 1qbv s ASN 95 Ca 0.84 -3.48 0.26 0.00 0.21 0.00 0.00 52.86 50.69 1qbv s ASN 95 Cb -0.70 -2.09 0.63 0.00 -0.55 0.00 0.00 41.25 38.54 1qbv s ASN 95 CO 0.44 -0.29 1.71 4.11 -2.79 0.00 0.00 177.10 180.27 1qbv h TRP 96 N 6.61 0.00 -0.08 0.43 5.08 -1.92 0.13 115.95 126.20 1qbv h TRP 96 Ca 0.15 0.00 -0.10 0.00 1.08 0.00 0.00 58.89 60.03 1qbv h TRP 96 Cb 0.88 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.03 1qbv h TRP 96 CO 0.78 0.02 -0.39 0.00 -1.28 0.00 0.00 178.44 177.57 1qbv h ARG 97 N 0.00 0.16 0.00 0.12 3.08 -1.99 -3.43 114.38 112.32 1qbv h ARG 97 Ca -0.00 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.98 1qbv h ARG 97 Cb 0.87 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.92 1qbv h ARG 97 CO 0.00 0.53 0.00 -1.91 -1.07 0.00 0.00 179.97 177.52 1qbv n GLU 97 N -4.05 0.00 -0.13 0.04 2.13 -1.23 -5.01 120.64 112.40 1qbv n GLU 97 Ca -0.01 0.00 0.01 0.00 0.66 0.00 0.00 57.16 57.82 1qbv n GLU 97 Cb 0.45 -0.06 0.02 0.00 0.27 0.00 0.00 31.44 32.12 1qbv n GLU 97 CO 0.00 0.00 0.00 0.27 -0.41 0.00 0.00 177.13 176.99 1qbv n ASN 98 N -2.63 0.74 -2.57 4.31 6.94 -1.19 -4.98 115.26 115.87 1qbv n ASN 98 Ca 0.00 -1.73 -0.19 0.00 -0.02 0.00 0.00 54.58 52.64 1qbv n ASN 98 Cb 0.00 -0.10 -0.00 0.00 -2.36 0.00 0.00 39.78 37.32 1qbv n ASN 98 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1qbv n LEU 99 N -0.29 -1.90 -4.76 -4.53 4.77 0.44 -4.96 117.00 105.77 1qbv n LEU 99 Ca 0.02 -0.04 -0.41 0.00 -0.03 0.00 0.00 56.01 55.55 1qbv n LEU 99 Cb 0.51 -2.74 -0.01 0.00 -2.33 0.00 0.00 43.42 38.84 1qbv n LEU 99 CO 0.00 -0.10 1.17 -0.62 -1.33 0.00 0.00 177.39 176.51 1qbv s ASP 100 N -2.20 6.45 -1.15 -1.43 2.15 -1.23 -2.88 116.67 116.37 1qbv s ASP 100 Ca 0.08 2.91 -0.01 0.00 0.43 0.00 0.00 52.55 55.96 1qbv s ASP 100 Cb -0.04 -2.64 -0.01 0.00 -0.30 0.00 0.00 42.92 39.93 1qbv s ASP 100 CO 0.09 -0.83 0.97 0.54 -0.17 0.00 0.00 175.17 175.77 1qbv n ARG 101 N 1.58 -6.08 -2.63 4.34 1.74 -1.26 -0.09 116.66 114.26 1qbv n ARG 101 Ca 0.05 0.83 -0.43 0.00 -0.77 0.00 0.00 57.85 57.53 1qbv n ARG 101 Cb 0.39 -5.77 -0.00 0.00 -1.02 0.00 0.00 32.46 26.05 1qbv n ARG 101 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1qbv s ASP 102 N -4.24 6.84 -0.16 0.55 2.15 -1.14 -4.24 116.67 116.44 1qbv s ASP 102 Ca 0.04 -2.44 -0.19 0.00 0.43 0.00 0.00 52.55 50.39 1qbv s ASP 102 Cb -0.01 -2.56 0.05 0.00 -0.30 0.00 0.00 42.92 40.11 1qbv s ASP 102 CO 0.71 -1.14 0.51 -0.51 -0.17 0.00 0.00 175.17 174.57 1qbv s ILE 103 N 3.95 0.01 -0.07 4.11 2.07 -1.26 -3.79 121.20 126.22 1qbv s ILE 103 Ca 0.52 -0.05 -0.15 0.00 -1.41 0.00 0.00 60.65 59.56 1qbv s ILE 103 Cb 0.03 -0.74 0.03 0.00 0.13 0.00 0.00 42.46 41.91 1qbv s ILE 103 CO 0.06 -0.03 0.36 0.00 -1.91 0.00 0.00 174.94 173.41 1qbv s ALA 104 N -0.06 -0.89 0.04 1.50 0.00 -0.77 -2.44 121.76 119.13 1qbv s ALA 104 Ca -0.03 0.70 0.03 0.00 0.00 0.00 0.00 51.96 52.66 1qbv s ALA 104 Cb -0.03 -0.24 -0.04 0.00 0.00 0.00 0.00 23.12 22.81 1qbv s ALA 104 CO 0.02 -0.23 0.00 -0.51 0.00 0.00 0.00 175.76 175.05 1qbv s LEU 105 N -0.63 3.50 -0.12 0.00 1.43 0.85 -1.41 118.68 122.30 1qbv s LEU 105 Ca -0.07 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 1qbv s LEU 105 Cb -0.04 -2.11 0.02 0.00 0.03 0.00 0.00 46.19 44.09 1qbv s LEU 105 CO 0.03 0.23 -0.11 -0.04 0.23 0.00 0.00 176.35 176.69 1qbv s MET 106 N -1.89 1.86 -0.17 1.70 -1.94 0.02 0.02 119.30 118.90 1qbv s MET 106 Ca 0.22 -0.40 -0.23 0.00 -1.71 0.00 0.00 55.69 53.58 1qbv s MET 106 Cb -0.12 -1.77 -0.02 0.00 2.01 0.00 0.00 34.83 34.93 1qbv s MET 106 CO 0.14 -0.22 0.74 0.21 -0.01 0.00 0.00 175.02 175.88 1qbv s LYS 107 N 1.49 4.28 0.47 2.03 2.20 0.18 -1.26 119.74 129.13 1qbv s LYS 107 Ca 0.02 0.84 -0.20 0.00 -0.36 0.00 0.00 55.97 56.27 1qbv s LYS 107 Cb -0.13 -3.56 -0.09 0.00 -1.51 0.00 0.00 37.83 32.54 1qbv s LYS 107 CO -0.08 -0.24 1.02 -0.51 -0.36 0.00 0.00 175.35 175.18 1qbv s LEU 108 N 1.88 3.87 0.32 5.43 1.43 0.35 0.25 118.68 132.21 1qbv s LEU 108 Ca 0.34 1.88 0.10 0.00 -1.03 0.00 0.00 54.13 55.41 1qbv s LEU 108 Cb -0.16 -4.55 0.54 0.00 0.03 0.00 0.00 46.19 42.05 1qbv s LEU 108 CO 0.12 -0.68 1.74 0.50 0.23 0.00 0.00 176.35 178.26 1qbv h LYS 109 N 1.66 0.11 -4.16 1.70 3.64 -1.09 -3.40 116.57 115.01 1qbv h LYS 109 Ca -0.49 -0.05 -0.13 0.00 -1.27 0.00 0.00 60.65 58.70 1qbv h LYS 109 Cb 1.21 -0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 32.86 1qbv h LYS 109 CO 0.59 0.52 -0.68 0.15 -2.27 0.00 0.00 179.45 177.77 1qbv s LYS 110 N -4.08 0.53 0.32 1.90 1.02 -1.26 -4.96 119.74 113.21 1qbv s LYS 110 Ca -0.03 -1.05 -0.29 0.00 0.02 0.00 0.00 55.97 54.62 1qbv s LYS 110 Cb 0.14 0.18 -0.10 0.00 -0.52 0.00 0.00 37.83 37.53 1qbv s LYS 110 CO 0.75 -0.10 1.23 -1.25 -0.92 0.00 0.00 175.35 175.07 1qbv s PRO 111 N -3.25 4.43 0.22 -1.68 0.04 -1.26 -4.86 135.00 128.65 1qbv s PRO 111 Ca 0.01 2.07 -0.15 0.00 0.04 0.00 0.00 61.00 62.96 1qbv s PRO 111 Cb 0.03 -3.09 -0.08 0.00 0.04 0.00 0.00 34.50 31.40 1qbv s PRO 111 CO -0.08 -0.06 0.65 0.54 0.04 0.00 0.00 177.00 178.09 1qbv s VAL 112 N -1.16 4.74 -0.00 -0.36 0.11 0.76 -5.00 120.40 119.48 1qbv s VAL 112 Ca 0.48 0.95 -0.20 0.00 -2.93 0.00 0.00 61.98 60.28 1qbv s VAL 112 Cb -0.37 -3.73 -0.06 0.00 -1.53 0.00 0.00 36.38 30.70 1qbv s VAL 112 CO 0.48 0.10 0.57 0.00 -3.33 0.00 0.00 175.10 172.92 1qbv s ALA 113 N -1.64 3.52 0.64 1.54 0.00 -1.26 -4.78 121.76 119.78 1qbv s ALA 113 Ca 0.44 -0.01 -0.11 0.00 0.00 0.00 0.00 51.96 52.28 1qbv s ALA 113 Cb -0.14 -2.69 -0.02 0.00 0.00 0.00 0.00 23.12 20.27 1qbv s ALA 113 CO 0.20 0.22 1.04 -0.06 0.00 0.00 0.00 175.76 177.15 1qbv s PHE 114 N -0.35 3.38 0.06 0.00 0.08 -1.26 -4.90 117.98 114.99 1qbv s PHE 114 Ca 0.30 1.36 -0.03 0.00 0.12 0.00 0.00 56.93 58.68 1qbv s PHE 114 Cb -0.18 -2.80 0.01 0.00 -0.57 0.00 0.00 43.02 39.48 1qbv s PHE 114 CO 0.17 -0.91 0.14 -1.13 -0.10 0.00 0.00 175.22 173.39 1qbv n SER 115 N -2.79 -0.38 0.30 1.36 3.41 -0.33 -4.95 113.62 110.25 1qbv n SER 115 Ca 0.07 -1.25 0.17 0.00 -0.26 0.00 0.00 58.87 57.59 1qbv n SER 115 Cb 0.54 0.63 0.97 0.00 -0.26 0.00 0.00 64.21 66.08 1qbv n SER 115 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1qbv h ASP 116 N 0.33 0.00 -0.00 4.04 3.32 -1.99 -3.02 116.42 119.09 1qbv h ASP 116 Ca -0.06 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1qbv h ASP 116 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 1qbv h ASP 116 CO 0.07 0.01 -0.34 -1.22 -1.72 0.00 0.00 179.24 176.04 1qbv n TYR 117 N -3.67 0.00 -3.72 4.55 4.01 -1.26 -4.75 117.16 112.32 1qbv n TYR 117 Ca -0.03 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.46 1qbv n TYR 117 Cb 0.09 0.00 -0.17 0.00 -0.31 0.00 0.00 39.34 38.95 1qbv n TYR 117 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1qbv s ILE 118 N -1.65 0.35 -0.28 -0.72 1.01 -1.14 -4.15 121.20 114.61 1qbv s ILE 118 Ca 0.05 -0.22 -0.22 0.00 0.00 0.00 0.00 60.65 60.27 1qbv s ILE 118 Cb 0.07 -0.75 0.10 0.00 0.01 0.00 0.00 42.46 41.89 1qbv s ILE 118 CO 0.32 -0.04 0.84 -2.28 0.00 0.00 0.00 174.94 173.78 1qbv s HIS 119 N 1.96 -0.73 0.44 3.97 2.46 -0.77 -1.18 115.29 121.43 1qbv s HIS 119 Ca 0.02 1.65 -0.22 0.00 0.47 0.00 0.00 55.06 56.98 1qbv s HIS 119 Cb -0.15 0.39 -0.09 0.00 -0.13 0.00 0.00 32.58 32.60 1qbv s HIS 119 CO -0.07 -0.36 1.04 -1.25 -2.47 0.00 0.00 174.74 171.64 1qbv s PRO 120 N 0.74 3.99 0.43 2.88 0.04 -1.26 -2.33 135.00 139.49 1qbv s PRO 120 Ca -0.03 1.43 -0.07 0.00 0.04 0.00 0.00 61.00 62.37 1qbv s PRO 120 Cb -0.05 -2.31 -0.05 0.00 0.04 0.00 0.00 34.50 32.13 1qbv s PRO 120 CO -0.08 -0.28 0.75 0.54 0.04 0.00 0.00 177.00 177.97 1qbv s VAL 121 N -1.83 4.88 0.50 -0.36 0.11 -0.58 -4.91 120.40 118.21 1qbv s VAL 121 Ca 0.63 0.31 -0.15 0.00 -2.93 0.00 0.00 61.98 59.84 1qbv s VAL 121 Cb -0.19 -3.80 -0.07 0.00 -1.53 0.00 0.00 36.38 30.78 1qbv s VAL 121 CO 0.23 -0.66 0.95 0.00 -3.33 0.00 0.00 175.10 172.29 1qbv s LEU 123 N -4.07 4.38 0.46 0.00 1.43 -1.26 -1.16 118.68 118.47 1qbv s LEU 123 Ca 0.57 0.43 -0.21 0.00 -1.03 0.00 0.00 54.13 53.89 1qbv s LEU 123 Cb -0.10 -2.23 -0.09 0.00 0.03 0.00 0.00 46.19 43.80 1qbv s LEU 123 CO 0.32 0.37 1.05 -2.16 0.23 0.00 0.00 176.35 176.15 1qbv s PRO 124 N -1.30 3.90 0.61 1.29 0.04 -1.26 -4.93 135.00 133.34 1qbv s PRO 124 Ca 0.19 1.43 0.01 0.00 0.04 0.00 0.00 61.00 62.66 1qbv s PRO 124 Cb -0.12 -2.24 0.06 0.00 0.04 0.00 0.00 34.50 32.25 1qbv s PRO 124 CO 0.08 -0.36 0.85 0.16 0.04 0.00 0.00 177.00 177.78 1qbv s ASP 125 N -1.83 4.96 0.28 6.66 -4.77 -1.26 -4.88 116.67 115.83 1qbv s ASP 125 Ca 0.64 -0.12 0.02 0.00 -3.30 0.00 0.00 52.55 49.79 1qbv s ASP 125 Cb -0.19 -0.59 0.63 0.00 -1.09 0.00 0.00 42.92 41.68 1qbv s ASP 125 CO 0.23 -1.39 1.76 -0.09 0.70 0.00 0.00 175.17 176.38 1qbv h ARG 126 N -0.14 0.65 0.00 2.11 2.43 -1.97 -2.13 114.38 115.33 1qbv h ARG 126 Ca -0.40 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 58.70 1qbv h ARG 126 Cb 1.29 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.69 1qbv h ARG 126 CO 0.49 0.43 -0.85 1.05 -1.51 0.00 0.00 179.97 179.58 1qbv h GLU 127 N 0.67 0.00 -0.72 0.20 9.09 -2.04 -1.38 114.58 120.41 1qbv h GLU 127 Ca 0.52 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.93 1qbv h GLU 127 Cb 0.77 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.87 1qbv h GLU 127 CO -0.38 0.07 0.00 2.41 0.05 0.00 0.00 179.01 181.16 1qbv n THR 128 N -2.82 0.11 0.00 -1.06 -1.04 -0.80 -1.66 114.28 107.00 1qbv n THR 128 Ca -0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 1qbv n THR 128 Cb 0.60 -0.35 0.00 0.00 -1.82 0.00 0.00 70.33 68.76 1qbv n THR 128 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1qbv n ALA 129 N 0.38 0.00 -0.10 2.41 0.00 -0.52 -1.25 120.51 121.44 1qbv n ALA 129 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 1qbv n ALA 129 Cb 0.14 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.58 1qbv n ALA 129 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1qbv h SER 129 N 0.00 0.96 0.00 0.00 0.87 -1.59 -3.37 113.55 110.43 1qbv h SER 129 Ca 0.00 -0.46 -0.31 0.00 -1.23 0.00 0.00 61.79 59.79 1qbv h SER 129 Cb 0.00 -0.27 -0.06 0.00 -0.44 0.00 0.00 62.40 61.63 1qbv h SER 129 CO 0.00 1.25 -2.17 0.18 -0.53 0.00 0.00 176.83 175.56 1qbv n LEU 129 N -4.04 0.25 -4.14 2.23 4.77 -0.38 -4.72 117.00 110.97 1qbv n LEU 129 Ca -0.03 -0.01 -0.42 0.00 -0.03 0.00 0.00 56.01 55.52 1qbv n LEU 129 Cb 0.57 0.32 -0.00 0.00 -2.33 0.00 0.00 43.42 41.97 1qbv n LEU 129 CO 0.49 0.46 2.34 0.18 -1.33 0.00 0.00 177.39 179.53 1qbv n LEU 130 N -2.67 5.93 -4.09 2.23 4.77 -1.26 -4.82 117.00 117.09 1qbv n LEU 130 Ca -0.28 -4.03 -0.19 0.00 -0.03 0.00 0.00 56.01 51.48 1qbv n LEU 130 Cb 1.04 -1.70 -0.14 0.00 -2.33 0.00 0.00 43.42 40.29 1qbv n LEU 130 CO 0.35 0.64 -0.44 -1.10 -1.33 0.00 0.00 177.39 175.50 1qbv s GLN 131 N 3.71 0.81 0.22 3.23 -0.21 -1.26 -4.94 119.66 121.21 1qbv s GLN 131 Ca 0.50 -0.60 -0.31 0.00 0.02 0.00 0.00 55.36 54.98 1qbv s GLN 131 Cb 0.09 -0.77 -0.10 0.00 1.00 0.00 0.00 33.01 33.23 1qbv s GLN 131 CO -0.01 0.19 1.55 0.00 -2.12 0.00 0.00 175.29 174.91 1qbv s ALA 132 N -0.69 3.74 0.00 6.09 0.00 -1.26 -1.49 121.76 128.16 1qbv s ALA 132 Ca 0.01 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.38 1qbv s ALA 132 Cb -0.07 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.44 1qbv s ALA 132 CO 0.01 -0.82 0.00 0.41 0.00 0.00 0.00 175.76 175.36 1qbv n GLY 133 N 3.04 2.89 3.76 0.00 0.00 0.31 -4.94 105.19 110.25 1qbv n GLY 133 Ca 0.11 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 1qbv n GLY 133 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qbv s TYR 134 N -1.85 3.18 -0.08 1.61 1.51 -0.55 -4.63 117.35 116.54 1qbv s TYR 134 Ca 0.00 1.43 -0.09 0.00 -1.01 0.00 0.00 57.07 57.40 1qbv s TYR 134 Cb 0.00 -3.60 -0.04 0.00 -0.11 0.00 0.00 41.96 38.21 1qbv s TYR 134 CO 0.00 -1.64 0.22 0.15 -1.11 0.00 0.00 175.55 173.17 1qbv s LYS 135 N -1.42 3.57 0.19 -0.62 1.02 -1.26 -0.60 119.74 120.62 1qbv s LYS 135 Ca 0.50 0.00 0.01 0.00 0.02 0.00 0.00 55.97 56.49 1qbv s LYS 135 Cb -0.38 -3.19 0.01 0.00 -0.52 0.00 0.00 37.83 33.75 1qbv s LYS 135 CO 0.48 0.75 0.04 0.41 -0.92 0.00 0.00 175.35 176.11 1qbv n GLY 136 N 1.85 3.67 2.98 -3.33 0.00 -0.26 -4.86 105.19 105.23 1qbv n GLY 136 Ca -0.18 -2.25 -0.22 0.00 0.00 0.00 0.00 46.02 43.38 1qbv n GLY 136 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1qbv s ARG 137 N -2.71 1.15 -0.02 1.61 3.52 0.06 -0.57 118.95 121.99 1qbv s ARG 137 Ca 0.03 -0.28 0.08 0.00 -0.13 0.00 0.00 55.73 55.43 1qbv s ARG 137 Cb -0.00 -1.04 -0.02 0.00 -1.56 0.00 0.00 34.95 32.33 1qbv s ARG 137 CO 0.02 0.03 -0.26 0.08 -0.81 0.00 0.00 175.30 174.37 1qbv s VAL 138 N 0.54 2.08 0.09 7.11 1.01 0.65 -1.33 120.40 130.56 1qbv s VAL 138 Ca -0.09 -1.12 0.06 0.00 0.00 0.00 0.00 61.98 60.83 1qbv s VAL 138 Cb -0.13 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 1qbv s VAL 138 CO 0.01 0.56 -0.16 0.42 0.00 0.00 0.00 175.10 175.94 1qbv s THR 139 N -0.63 1.36 0.00 3.92 -4.23 -1.25 -0.98 115.64 113.83 1qbv s THR 139 Ca 0.10 -1.47 0.00 0.00 -1.18 0.00 0.00 61.69 59.14 1qbv s THR 139 Cb -0.10 -1.33 0.00 0.00 1.34 0.00 0.00 72.50 72.41 1qbv s THR 139 CO -0.01 -0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.47 1qbv n GLY 140 N 1.05 -0.00 0.46 3.99 0.00 -0.66 -4.60 105.19 105.42 1qbv n GLY 140 Ca -0.19 -0.97 0.05 0.00 0.00 0.00 0.00 46.02 44.91 1qbv n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1qbv n TRP 141 N -0.24 0.40 -0.80 1.61 8.01 -1.26 -1.49 117.44 123.66 1qbv n TRP 141 Ca 0.00 -0.65 -0.02 0.00 -1.31 0.00 0.00 57.50 55.51 1qbv n TRP 141 Cb 0.00 -0.12 0.02 0.00 -2.01 0.00 0.00 31.31 29.20 1qbv n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1qbv n GLY 142 N -0.24 -1.83 3.76 6.99 0.00 -1.26 -4.49 105.19 108.12 1qbv n GLY 142 Ca 0.12 -1.56 -0.37 0.00 0.00 0.00 0.00 46.02 44.21 1qbv n GLY 142 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qbv s ASN 143 N -1.56 5.41 0.07 1.61 0.01 0.62 -2.96 114.94 118.14 1qbv s ASN 143 Ca 0.06 2.44 0.25 0.00 -0.71 0.00 0.00 52.86 54.90 1qbv s ASN 143 Cb -0.00 -2.61 0.47 0.00 0.41 0.00 0.00 41.25 39.52 1qbv s ASN 143 CO 0.04 -1.45 1.40 0.18 -1.51 0.00 0.00 177.10 175.77 1qbv n LEU 144 N -1.25 0.58 -3.73 0.60 4.77 0.20 -0.20 117.00 117.97 1qbv n LEU 144 Ca 0.12 0.16 -0.13 0.00 -0.03 0.00 0.00 56.01 56.13 1qbv n LEU 144 Cb 0.48 -0.23 -0.08 0.00 -2.33 0.00 0.00 43.42 41.27 1qbv n LEU 144 CO 0.47 0.02 0.08 -0.54 -1.33 0.00 0.00 177.39 176.08 1qbv s LYS 145 N -3.09 0.76 0.00 3.23 1.02 -1.26 -4.34 119.74 116.06 1qbv s LYS 145 Ca 0.09 -0.23 0.00 0.00 0.02 0.00 0.00 55.97 55.84 1qbv s LYS 145 Cb 0.15 0.34 0.00 0.00 -0.52 0.00 0.00 37.83 37.80 1qbv s LYS 145 CO 0.70 -0.23 0.12 -1.91 -0.92 0.00 0.00 175.35 173.11 1qbv n GLU 146 N 1.02 0.15 0.00 1.68 2.13 -1.26 -4.93 120.64 119.43 1qbv n GLU 146 Ca -0.20 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.62 1qbv n GLU 146 Cb 0.57 -1.30 0.00 0.00 0.27 0.00 0.00 31.44 30.98 1qbv n GLU 146 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1qbv n GLY 150 N 0.75 0.11 3.28 8.31 0.00 -1.26 -4.97 105.19 111.41 1qbv n GLY 150 Ca 0.00 -0.06 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 1qbv n GLY 150 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qbv s GLN 151 N -1.00 1.65 0.63 1.61 -0.21 -1.26 -0.63 119.66 120.45 1qbv s GLN 151 Ca 0.00 -0.95 -0.11 0.00 0.02 0.00 0.00 55.36 54.32 1qbv s GLN 151 Cb 0.00 -1.73 -0.03 0.00 1.00 0.00 0.00 33.01 32.25 1qbv s GLN 151 CO 0.00 0.45 1.04 -1.25 -2.12 0.00 0.00 175.29 173.41 1qbv s PRO 152 N -1.00 3.50 0.37 2.91 0.04 -1.26 -4.96 135.00 134.60 1qbv s PRO 152 Ca 0.09 0.76 0.22 0.00 0.04 0.00 0.00 61.00 62.12 1qbv s PRO 152 Cb -0.09 -2.07 0.24 0.00 0.04 0.00 0.00 34.50 32.62 1qbv s PRO 152 CO 0.01 -0.65 1.47 0.66 0.04 0.00 0.00 177.00 178.53 1qbv h SER 153 N -0.38 0.00 -4.92 6.66 4.64 -1.97 -3.43 113.55 114.15 1qbv h SER 153 Ca -0.44 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.71 1qbv h SER 153 Cb 1.19 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.07 1qbv h SER 153 CO 0.61 0.05 -0.66 -0.69 -0.87 0.00 0.00 176.83 175.27 1qbv s VAL 154 N -3.22 0.10 0.05 0.95 1.01 -1.26 -0.99 120.40 117.04 1qbv s VAL 154 Ca 0.05 -0.83 -0.38 0.00 0.00 0.00 0.00 61.98 60.82 1qbv s VAL 154 Cb 0.06 -0.28 -0.18 0.00 0.00 0.00 0.00 36.38 35.98 1qbv s VAL 154 CO 0.70 -0.46 1.22 -0.11 0.00 0.00 0.00 175.10 176.45 1qbv n LEU 155 N 1.64 0.88 -4.84 3.92 7.94 0.87 -4.83 117.00 122.58 1qbv n LEU 155 Ca -0.23 1.14 -0.24 0.00 -1.11 0.00 0.00 56.01 55.56 1qbv n LEU 155 Cb 0.55 -1.06 -0.04 0.00 0.53 0.00 0.00 43.42 43.39 1qbv n LEU 155 CO 0.20 -1.45 -0.17 -1.10 -1.11 0.00 0.00 177.39 173.77 1qbv s GLN 156 N 0.26 3.03 -0.00 1.96 -1.52 -0.56 -0.21 119.66 122.63 1qbv s GLN 156 Ca 0.88 -0.88 0.01 0.00 -1.95 0.00 0.00 55.36 53.41 1qbv s GLN 156 Cb -1.10 -2.69 -0.00 0.00 -0.22 0.00 0.00 33.01 29.00 1qbv s GLN 156 CO 0.52 0.46 -0.02 0.54 -0.25 0.00 0.00 175.29 176.53 1qbv s VAL 157 N -1.89 0.15 -0.06 1.09 0.11 0.80 -1.66 120.40 118.93 1qbv s VAL 157 Ca 0.32 -0.11 -0.07 0.00 -2.93 0.00 0.00 61.98 59.20 1qbv s VAL 157 Cb -0.09 -0.14 0.02 0.00 -1.53 0.00 0.00 36.38 34.64 1qbv s VAL 157 CO 0.25 0.02 0.18 0.54 -3.33 0.00 0.00 175.10 172.77 1qbv s VAL 158 N -0.09 0.01 -0.14 2.04 0.11 -0.16 -0.77 120.40 121.40 1qbv s VAL 158 Ca 0.00 -0.06 -0.05 0.00 -2.93 0.00 0.00 61.98 58.94 1qbv s VAL 158 Cb -0.01 -0.28 -0.03 0.00 -1.53 0.00 0.00 36.38 34.52 1qbv s VAL 158 CO -0.00 -0.04 0.02 0.20 -3.33 0.00 0.00 175.10 171.95 1qbv s ASN 159 N -0.04 5.31 0.01 3.54 0.01 -1.26 -0.25 114.94 122.25 1qbv s ASN 159 Ca -0.01 0.06 0.00 0.00 -0.71 0.00 0.00 52.86 52.20 1qbv s ASN 159 Cb -0.02 -1.77 -0.01 0.00 0.41 0.00 0.00 41.25 39.87 1qbv s ASN 159 CO 0.00 0.25 -0.02 -0.76 -1.51 0.00 0.00 177.10 175.06 1qbv s LEU 160 N -0.08 2.07 0.30 0.60 1.43 0.26 -4.95 118.68 118.32 1qbv s LEU 160 Ca 0.05 -0.17 -0.23 0.00 -1.03 0.00 0.00 54.13 52.74 1qbv s LEU 160 Cb -0.13 -0.03 -0.09 0.00 0.03 0.00 0.00 46.19 45.97 1qbv s LEU 160 CO 0.02 -0.07 0.87 -2.16 0.23 0.00 0.00 176.35 175.24 1qbv s PRO 161 N -0.46 4.44 0.45 1.29 0.04 -1.26 -1.11 135.00 138.39 1qbv s PRO 161 Ca -0.04 1.16 -0.25 0.00 0.04 0.00 0.00 61.00 61.91 1qbv s PRO 161 Cb -0.03 -2.76 -0.08 0.00 0.04 0.00 0.00 34.50 31.67 1qbv s PRO 161 CO -0.00 0.28 1.30 0.42 0.04 0.00 0.00 177.00 179.04 1qbv s ILE 162 N -1.65 2.53 -0.04 0.56 -1.09 0.23 -0.94 121.20 120.79 1qbv s ILE 162 Ca 0.49 0.44 0.03 0.00 -2.23 0.00 0.00 60.65 59.39 1qbv s ILE 162 Cb -0.17 -3.25 -0.03 0.00 -1.58 0.00 0.00 42.46 37.43 1qbv s ILE 162 CO 0.22 0.04 -0.13 -0.69 -1.23 0.00 0.00 174.94 173.15 1qbv s VAL 163 N -1.31 3.15 0.26 2.92 1.01 -0.57 -0.53 120.40 125.32 1qbv s VAL 163 Ca 0.61 -0.72 -0.29 0.00 0.00 0.00 0.00 61.98 61.58 1qbv s VAL 163 Cb -0.38 -2.25 -0.15 0.00 0.00 0.00 0.00 36.38 33.61 1qbv s VAL 163 CO 0.47 0.57 1.00 -0.62 0.00 0.00 0.00 175.10 176.52 1qbv n GLU 164 N 2.23 1.19 -0.34 2.72 4.71 -1.26 -4.64 120.64 125.25 1qbv n GLU 164 Ca -0.17 0.42 0.04 0.00 -0.01 0.00 0.00 57.16 57.44 1qbv n GLU 164 Cb 0.52 -1.78 0.19 0.00 -1.01 0.00 0.00 31.44 29.36 1qbv n GLU 164 CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 1qbv h ARG 165 N 2.20 0.97 -0.49 3.49 2.43 -1.98 -1.77 114.38 119.23 1qbv h ARG 165 Ca -0.39 -0.06 -0.13 0.00 -0.81 0.00 0.00 59.98 58.59 1qbv h ARG 165 Cb 1.35 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.67 1qbv h ARG 165 CO 0.62 0.64 -0.21 -1.35 -1.51 0.00 0.00 179.97 178.16 1qbv h PRO 166 N 1.00 1.01 -0.77 0.20 0.11 -1.99 -0.86 132.00 130.70 1qbv h PRO 166 Ca 0.44 -0.43 0.07 0.00 0.11 0.00 0.00 66.00 66.19 1qbv h PRO 166 Cb 0.33 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 31.35 1qbv h PRO 166 CO -0.22 1.11 0.45 0.28 -0.21 0.00 0.00 178.00 179.41 1qbv h VAL 167 N 0.87 0.98 -0.29 3.15 2.07 -1.80 0.33 116.25 121.56 1qbv h VAL 167 Ca 0.11 -0.28 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1qbv h VAL 167 Cb 0.79 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 1qbv h VAL 167 CO 0.07 0.15 0.16 0.00 0.02 0.00 0.00 177.57 177.97 1qbv h LYS 169 N 0.36 0.97 0.00 0.00 1.57 -0.87 -2.96 116.57 115.63 1qbv h LYS 169 Ca 0.10 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1qbv h LYS 169 Cb 0.04 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.22 1qbv h LYS 169 CO -0.02 0.88 0.00 -0.25 -0.57 0.00 0.00 179.45 179.49 1qbv n ASP 170 N -4.36 0.00 -0.13 0.86 8.00 0.08 -2.68 116.55 118.31 1qbv n ASP 170 Ca 0.03 -0.69 0.11 0.00 0.71 0.00 0.00 54.79 54.95 1qbv n ASP 170 Cb 0.23 -0.04 0.11 0.00 -0.02 0.00 0.00 41.12 41.40 1qbv n ASP 170 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1qbv n SER 171 N -1.04 1.04 -3.91 -2.24 3.41 -1.06 -4.99 113.62 104.84 1qbv n SER 171 Ca 0.18 -0.84 -0.09 0.00 -0.26 0.00 0.00 58.87 57.86 1qbv n SER 171 Cb 0.10 0.52 -0.08 0.00 -0.26 0.00 0.00 64.21 64.49 1qbv n SER 171 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1qbv s THR 172 N -2.81 0.16 -0.75 6.66 -1.32 -1.09 -4.87 115.64 111.60 1qbv s THR 172 Ca 0.14 -1.29 0.24 0.00 -1.21 0.00 0.00 61.69 59.57 1qbv s THR 172 Cb 0.17 -1.33 -0.03 0.00 -1.51 0.00 0.00 72.50 69.80 1qbv s THR 172 CO 0.70 -0.71 1.23 0.54 -2.21 0.00 0.00 174.62 174.17 1qbv n ARG 173 N 0.05 0.19 -2.30 7.08 1.74 -1.26 -4.92 116.66 117.23 1qbv n ARG 173 Ca -0.15 0.03 -0.41 0.00 -0.77 0.00 0.00 57.85 56.54 1qbv n ARG 173 Cb 0.62 -1.59 -0.03 0.00 -1.02 0.00 0.00 32.46 30.44 1qbv n ARG 173 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1qbv s ILE 174 N -3.12 3.33 -0.27 0.55 1.01 -1.26 -4.97 121.20 116.47 1qbv s ILE 174 Ca 0.07 1.16 -0.29 0.00 0.00 0.00 0.00 60.65 61.59 1qbv s ILE 174 Cb 0.15 -3.74 -0.03 0.00 0.01 0.00 0.00 42.46 38.85 1qbv s ILE 174 CO 0.75 0.20 1.81 -0.60 0.00 0.00 0.00 174.94 177.10 1qbv s ARG 175 N -0.52 3.47 0.18 2.79 3.52 -1.26 -5.01 118.95 122.12 1qbv s ARG 175 Ca 0.53 1.62 -0.27 0.00 -0.13 0.00 0.00 55.73 57.48 1qbv s ARG 175 Cb -0.35 -4.17 -0.08 0.00 -1.56 0.00 0.00 34.95 28.79 1qbv s ARG 175 CO 0.40 -1.69 0.83 0.42 -0.81 0.00 0.00 175.30 174.44 1qbv s ILE 176 N 6.50 4.31 0.51 4.11 -1.09 -1.26 -4.87 121.20 129.41 1qbv s ILE 176 Ca 0.81 1.82 0.03 0.00 -2.23 0.00 0.00 60.65 61.07 1qbv s ILE 176 Cb -0.25 -4.20 0.00 0.00 -1.58 0.00 0.00 42.46 36.43 1qbv s ILE 176 CO 0.33 0.50 0.15 0.42 -1.23 0.00 0.00 174.94 175.11 1qbv s THR 177 N -1.06 1.40 -0.96 2.92 -4.23 -1.26 -5.02 115.64 107.43 1qbv s THR 177 Ca 0.38 -1.81 0.23 0.00 -1.18 0.00 0.00 61.69 59.30 1qbv s THR 177 Cb -0.24 -2.22 0.20 0.00 1.34 0.00 0.00 72.50 71.58 1qbv s THR 177 CO 0.28 0.00 1.73 0.47 -0.54 0.00 0.00 174.62 176.55 1qbv n ASP 178 N -1.42 0.08 -0.83 3.99 8.00 -1.26 -2.59 116.55 122.51 1qbv n ASP 178 Ca -0.12 0.51 0.04 0.00 0.71 0.00 0.00 54.79 55.93 1qbv n ASP 178 Cb 0.66 -0.53 0.16 0.00 -0.02 0.00 0.00 41.12 41.39 1qbv n ASP 178 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 1qbv n ASN 179 N -1.58 2.35 -4.08 -2.24 3.02 -1.26 -4.84 115.26 106.64 1qbv n ASN 179 Ca 0.05 -2.19 -0.13 0.00 -0.03 0.00 0.00 54.58 52.28 1qbv n ASN 179 Cb 0.27 -0.39 -0.11 0.00 -0.61 0.00 0.00 39.78 38.94 1qbv n ASN 179 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 1qbv s MET 180 N -1.66 0.57 0.13 3.52 -1.94 -1.07 -1.00 119.30 117.84 1qbv s MET 180 Ca 0.23 -0.82 -0.01 0.00 -1.71 0.00 0.00 55.69 53.38 1qbv s MET 180 Cb 0.14 -0.31 -0.04 0.00 2.01 0.00 0.00 34.83 36.64 1qbv s MET 180 CO 0.11 0.05 0.04 -0.59 -0.01 0.00 0.00 175.02 174.62 1qbv s PHE 181 N -1.59 0.88 0.09 -0.03 -0.12 -0.33 -4.82 117.98 112.06 1qbv s PHE 181 Ca -0.08 -1.18 0.09 0.00 -0.05 0.00 0.00 56.93 55.71 1qbv s PHE 181 Cb -0.09 -0.51 -0.03 0.00 -0.63 0.00 0.00 43.02 41.76 1qbv s PHE 181 CO -0.00 -0.45 -0.24 0.00 -0.05 0.00 0.00 175.22 174.48 1qbv s ALA 183 N -0.99 0.18 0.00 0.00 0.00 -0.32 -1.52 121.76 119.11 1qbv s ALA 183 Ca 0.10 -0.42 0.00 0.00 0.00 0.00 0.00 51.96 51.63 1qbv s ALA 183 Cb -0.10 0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.10 1qbv s ALA 183 CO 0.04 -0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.13 1qbv n GLY 184 N 2.09 3.64 3.78 0.00 0.00 -0.12 -2.07 105.19 112.52 1qbv n GLY 184 Ca -0.20 -1.17 -0.38 0.00 0.00 0.00 0.00 46.02 44.27 1qbv n GLY 184 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qbv s TYR 184 N -2.00 3.77 0.73 1.61 2.02 -1.26 -4.45 117.35 117.77 1qbv s TYR 184 Ca 0.00 1.69 -0.13 0.00 -0.37 0.00 0.00 57.07 58.27 1qbv s TYR 184 Cb 0.00 -2.84 0.04 0.00 -0.40 0.00 0.00 41.96 38.76 1qbv s TYR 184 CO 0.00 0.33 1.11 0.15 -1.57 0.00 0.00 175.55 175.58 1qbv s LYS 185 N -1.73 2.39 0.37 -0.62 -0.14 -1.26 -4.79 119.74 113.95 1qbv s LYS 185 Ca 0.44 1.34 0.13 0.00 -1.36 0.00 0.00 55.97 56.52 1qbv s LYS 185 Cb -0.20 -1.90 0.94 0.00 -1.68 0.00 0.00 37.83 34.98 1qbv s LYS 185 CO 0.25 -1.56 1.81 -1.00 -0.76 0.00 0.00 175.35 174.08 1qbv h PRO 186 N -0.62 0.54 0.00 -1.68 0.13 -1.95 -1.79 132.00 126.64 1qbv h PRO 186 Ca -0.45 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 1qbv h PRO 186 Cb 1.25 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 32.25 1qbv h PRO 186 CO 0.52 0.36 -0.10 -0.40 -0.23 0.00 0.00 178.00 178.14 1qbv n ASP 186 N -4.64 0.64 0.16 1.44 5.75 -1.26 -3.71 116.55 114.93 1qbv n ASP 186 Ca 0.22 0.47 0.13 0.00 -0.01 0.00 0.00 54.79 55.60 1qbv n ASP 186 Cb 0.68 -0.57 0.43 0.00 -1.03 0.00 0.00 41.12 40.62 1qbv n ASP 186 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1qbv h GLU 186 N 0.00 0.00 -0.24 0.11 5.08 -1.69 -3.46 114.58 114.38 1qbv h GLU 186 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.26 1qbv h GLU 186 Cb 0.69 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.90 1qbv h GLU 186 CO 0.00 0.00 -0.09 0.41 -1.00 0.00 0.00 179.01 178.33 1qbv n GLY 186 N 0.72 0.66 3.39 -3.84 0.00 -1.24 -4.98 105.19 99.90 1qbv n GLY 186 Ca 0.04 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 1qbv n GLY 186 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qbv s LYS 186 N -1.95 1.40 0.11 1.61 1.02 -1.26 -5.16 119.74 115.51 1qbv s LYS 186 Ca 0.00 -1.36 0.00 0.00 0.02 0.00 0.00 55.97 54.63 1qbv s LYS 186 Cb 0.00 -1.88 0.00 0.00 -0.52 0.00 0.00 37.83 35.43 1qbv s LYS 186 CO 0.00 0.44 0.01 0.54 -0.92 0.00 0.00 175.35 175.42 1qbv n ARG 187 N 0.86 1.70 0.00 1.68 1.74 -1.26 -4.68 116.66 116.70 1qbv n ARG 187 Ca -0.18 -0.76 0.00 0.00 -0.77 0.00 0.00 57.85 56.15 1qbv n ARG 187 Cb 0.53 0.19 0.00 0.00 -1.02 0.00 0.00 32.46 32.16 1qbv n ARG 187 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1qbv n GLY 188 N 3.73 3.97 3.56 -0.13 0.00 -1.25 -4.91 105.19 110.16 1qbv n GLY 188 Ca -0.04 -1.46 -0.06 0.00 0.00 0.00 0.00 46.02 44.46 1qbv n GLY 188 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1qbv s ASP 189 N 0.00 -0.23 0.99 1.61 2.15 -0.70 -4.73 116.67 115.76 1qbv s ASP 189 Ca 0.00 0.02 -0.14 0.00 0.43 0.00 0.00 52.55 52.86 1qbv s ASP 189 Cb 0.00 0.24 0.18 0.00 -0.30 0.00 0.00 42.92 43.04 1qbv s ASP 189 CO 0.00 -0.38 1.13 0.00 -0.17 0.00 0.00 175.17 175.75 1qbv s ALA 190 N -2.61 1.38 0.00 3.66 0.00 -1.26 -0.41 121.76 122.52 1qbv s ALA 190 Ca 0.07 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.44 1qbv s ALA 190 Cb -0.01 -3.02 0.00 0.00 0.00 0.00 0.00 23.12 20.10 1qbv s ALA 190 CO -0.06 -2.66 0.00 0.00 0.00 0.00 0.00 175.76 173.03 1qbv s GLU 192 N -1.50 4.21 0.00 0.00 2.12 -1.26 -1.78 118.70 120.48 1qbv s GLU 192 Ca 0.00 2.42 0.00 0.00 0.36 0.00 0.00 54.97 57.75 1qbv s GLU 192 Cb 0.00 -3.06 0.00 0.00 0.26 0.00 0.00 34.13 31.33 1qbv s GLU 192 CO 0.00 -0.49 0.00 0.41 -0.54 0.00 0.00 175.26 174.64 1qbv n GLY 193 N 1.95 2.41 0.10 -1.50 0.00 -1.26 -0.28 105.19 106.61 1qbv n GLY 193 Ca 0.06 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.07 1qbv n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1qbv h ASP 194 N 0.00 0.00 -0.21 1.61 3.32 -1.70 -3.31 116.42 116.13 1qbv h ASP 194 Ca 0.00 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.89 1qbv h ASP 194 Cb 0.00 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.57 1qbv h ASP 194 CO 0.00 0.66 -0.04 -1.20 -1.72 0.00 0.00 179.24 176.94 1qbv n SER 195 N -2.98 -0.12 0.00 6.45 7.64 -1.25 -1.67 113.62 121.69 1qbv n SER 195 Ca -0.09 0.25 0.00 0.00 1.01 0.00 0.00 58.87 60.03 1qbv n SER 195 Cb 0.87 -0.20 0.00 0.00 -1.01 0.00 0.00 64.21 63.87 1qbv n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1qbv n GLY 196 N 0.37 1.87 3.89 0.23 0.00 -0.28 -0.51 105.19 110.76 1qbv n GLY 196 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1qbv n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1qbv s GLY 197 N -1.94 1.59 0.07 -0.02 0.00 -0.67 -2.99 107.32 103.35 1qbv s GLY 197 Ca 0.00 -0.65 -0.24 0.00 0.00 0.00 0.00 44.72 43.83 1qbv s GLY 197 CO 0.00 -0.15 0.75 2.56 0.00 0.00 0.00 173.10 176.26 1qbv s PRO 198 N -5.56 4.48 -0.32 2.90 0.04 -1.26 -0.80 135.00 134.49 1qbv s PRO 198 Ca 0.62 1.04 -0.10 0.00 0.04 0.00 0.00 61.00 62.61 1qbv s PRO 198 Cb -0.11 -3.34 -0.01 0.00 0.04 0.00 0.00 34.50 31.09 1qbv s PRO 198 CO 0.49 0.36 0.16 0.12 0.04 0.00 0.00 177.00 178.18 1qbv s PHE 199 N -0.32 3.18 0.21 0.56 2.19 -0.07 -3.78 117.98 119.95 1qbv s PHE 199 Ca 0.37 -0.55 0.11 0.00 0.33 0.00 0.00 56.93 57.19 1qbv s PHE 199 Cb -0.21 -2.37 -0.05 0.00 -1.31 0.00 0.00 43.02 39.09 1qbv s PHE 199 CO 0.23 -0.45 -0.22 0.14 1.83 0.00 0.00 175.22 176.75 1qbv s VAL 200 N 1.62 2.29 0.06 3.12 -7.23 -0.44 -0.86 120.40 118.96 1qbv s VAL 200 Ca 0.05 -2.12 0.04 0.00 -1.81 0.00 0.00 61.98 58.14 1qbv s VAL 200 Cb -0.17 -2.13 -0.03 0.00 0.56 0.00 0.00 36.38 34.62 1qbv s VAL 200 CO 0.07 -0.23 -0.12 -0.04 -0.31 0.00 0.00 175.10 174.46 1qbv s MET 201 N -2.93 0.74 -0.35 4.82 -1.94 0.19 -0.76 119.30 119.07 1qbv s MET 201 Ca 0.22 -0.85 -0.16 0.00 -1.71 0.00 0.00 55.69 53.20 1qbv s MET 201 Cb -0.07 -0.68 -0.01 0.00 2.01 0.00 0.00 34.83 36.09 1qbv s MET 201 CO 0.11 0.15 0.41 0.21 -0.01 0.00 0.00 175.02 175.89 1qbv s LYS 202 N -1.56 3.56 0.16 2.03 2.20 -1.26 -0.55 119.74 124.32 1qbv s LYS 202 Ca -0.04 -0.35 -0.32 0.00 -0.36 0.00 0.00 55.97 54.90 1qbv s LYS 202 Cb -0.09 -3.81 -0.12 0.00 -1.51 0.00 0.00 37.83 32.30 1qbv s LYS 202 CO 0.02 -0.57 1.77 0.45 -0.36 0.00 0.00 175.35 176.66 1qbv n SER 203 N 5.50 3.95 0.00 1.43 2.88 0.37 -4.89 113.62 122.86 1qbv n SER 203 Ca -0.08 1.03 0.12 0.00 -1.33 0.00 0.00 58.87 58.60 1qbv n SER 203 Cb 0.49 -1.55 0.59 0.00 -0.75 0.00 0.00 64.21 63.00 1qbv n SER 203 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 1qbv n PRO 204 N 4.78 0.34 -0.07 -1.46 -0.04 -1.26 -0.71 135.00 136.59 1qbv n PRO 204 Ca 0.17 0.06 -0.21 0.00 -0.04 0.00 0.00 63.50 63.49 1qbv n PRO 204 Cb 0.35 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.19 1qbv n PRO 204 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1qbv n PHE 204 N -1.28 0.64 -0.21 0.54 3.72 -1.26 -4.61 117.46 115.00 1qbv n PHE 204 Ca 0.11 0.15 0.00 0.00 -0.05 0.00 0.00 57.45 57.66 1qbv n PHE 204 Cb 0.18 -1.08 0.00 0.00 -0.94 0.00 0.00 39.48 37.64 1qbv n PHE 204 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 176.76 176.98 1qbv n ASN 204 N -3.50 1.18 -2.24 4.37 2.04 -1.25 -5.02 115.26 110.85 1qbv n ASN 204 Ca -0.39 -1.39 -0.18 0.00 -0.44 0.00 0.00 54.58 52.17 1qbv n ASN 204 Cb 0.99 0.00 -0.02 0.00 -2.53 0.00 0.00 39.78 38.22 1qbv n ASN 204 CO 0.00 0.00 0.00 0.59 -0.44 0.00 0.00 177.26 177.41 1qbv n ASN 205 N -0.20 -5.22 -4.93 0.53 3.02 0.11 -4.99 115.26 103.58 1qbv n ASN 205 Ca 0.00 0.13 -0.28 0.00 -0.03 0.00 0.00 54.58 54.40 1qbv n ASN 205 Cb 0.18 -4.43 -0.03 0.00 -0.61 0.00 0.00 39.78 34.89 1qbv n ASN 205 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1qbv s ARG 206 N -4.75 3.47 -0.07 3.52 0.52 -1.25 -4.82 118.95 115.57 1qbv s ARG 206 Ca 0.00 -0.47 -0.21 0.00 -0.52 0.00 0.00 55.73 54.53 1qbv s ARG 206 Cb 0.00 -2.94 -0.04 0.00 0.52 0.00 0.00 34.95 32.48 1qbv s ARG 206 CO 0.00 0.51 0.60 -1.58 0.02 0.00 0.00 175.30 174.84 1qbv s TRP 207 N -1.72 3.57 -0.05 -0.53 0.52 -1.26 -0.48 118.94 119.00 1qbv s TRP 207 Ca 0.36 1.10 0.06 0.00 0.02 0.00 0.00 56.10 57.65 1qbv s TRP 207 Cb -0.12 -2.67 -0.01 0.00 -1.15 0.00 0.00 33.47 29.52 1qbv s TRP 207 CO 0.28 0.17 -0.25 0.71 0.02 0.00 0.00 176.95 177.88 1qbv s TYR 208 N 0.54 2.42 -0.47 -1.98 2.02 0.28 -2.14 117.35 118.02 1qbv s TYR 208 Ca 0.32 -0.67 -0.25 0.00 -0.37 0.00 0.00 57.07 56.10 1qbv s TYR 208 Cb -0.17 -1.58 0.03 0.00 -0.40 0.00 0.00 41.96 39.84 1qbv s TYR 208 CO 0.15 -0.18 0.93 -1.14 -1.57 0.00 0.00 175.55 173.74 1qbv s GLN 209 N -0.25 3.52 -0.06 -0.62 0.74 -0.30 -0.64 119.66 122.04 1qbv s GLN 209 Ca -0.01 0.14 0.10 0.00 0.05 0.00 0.00 55.36 55.64 1qbv s GLN 209 Cb -0.13 -3.94 -0.24 0.00 1.10 0.00 0.00 33.01 29.81 1qbv s GLN 209 CO 0.03 -1.25 0.58 -1.33 -0.55 0.00 0.00 175.29 172.77 1qbv n MET 210 N 7.22 0.65 -4.14 1.67 2.81 -0.04 -4.35 117.12 120.94 1qbv n MET 210 Ca 0.06 0.28 -0.09 0.00 -1.81 0.00 0.00 57.70 56.14 1qbv n MET 210 Cb 0.48 -1.77 -0.10 0.00 -0.71 0.00 0.00 33.22 31.13 1qbv n MET 210 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 1qbv s GLY 211 N -5.21 0.73 -0.12 3.03 0.00 -0.85 -1.50 107.32 103.41 1qbv s GLY 211 Ca -0.08 -1.34 0.02 0.00 0.00 0.00 0.00 44.72 43.32 1qbv s GLY 211 CO 0.82 -1.38 -0.19 -0.42 0.00 0.00 0.00 173.10 171.92 1qbv s ILE 212 N -3.86 2.47 -0.20 0.90 1.01 -1.00 -0.90 121.20 119.63 1qbv s ILE 212 Ca 0.14 -0.87 -0.34 0.00 0.00 0.00 0.00 60.65 59.58 1qbv s ILE 212 Cb 0.07 -1.99 -0.11 0.00 0.01 0.00 0.00 42.46 40.44 1qbv s ILE 212 CO -0.05 0.54 2.00 0.52 0.00 0.00 0.00 174.94 177.96 1qbv n VAL 213 N 3.57 0.41 0.00 2.92 0.31 0.02 -1.14 118.33 124.42 1qbv n VAL 213 Ca -0.19 -0.19 -0.01 0.00 -0.01 0.00 0.00 64.34 63.94 1qbv n VAL 213 Cb 0.53 -1.82 -0.00 0.00 -0.91 0.00 0.00 33.84 31.63 1qbv n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1qbv n SER 214 N 8.10 0.46 -3.60 4.52 2.88 -0.75 -1.12 113.62 124.11 1qbv n SER 214 Ca 0.29 0.07 -0.12 0.00 -1.33 0.00 0.00 58.87 57.79 1qbv n SER 214 Cb 0.28 -0.26 -0.05 0.00 -0.75 0.00 0.00 64.21 63.43 1qbv n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1qbv s TRP 215 N -1.43 -0.30 0.27 0.66 1.48 -0.96 -4.91 118.94 113.76 1qbv s TRP 215 Ca -0.03 0.10 -0.19 0.00 -1.06 0.00 0.00 56.10 54.92 1qbv s TRP 215 Cb 0.00 0.31 0.01 0.00 -1.16 0.00 0.00 33.47 32.63 1qbv s TRP 215 CO 0.05 -0.69 0.65 0.20 -4.06 0.00 0.00 176.95 173.10 1qbv s GLY 216 N -2.52 0.09 -0.41 3.67 0.00 -1.26 -0.81 107.32 106.07 1qbv s GLY 216 Ca -0.00 -0.47 -0.03 0.00 0.00 0.00 0.00 44.72 44.22 1qbv s GLY 216 CO -0.09 -0.25 0.21 -0.54 0.00 0.00 0.00 173.10 172.44 1qbv s GLU 217 N -3.95 2.02 0.82 2.90 2.02 -1.26 -4.97 118.70 116.27 1qbv s GLU 217 Ca 0.14 -1.84 0.00 0.00 0.02 0.00 0.00 54.97 53.29 1qbv s GLU 217 Cb -0.04 -3.59 0.00 0.00 0.10 0.00 0.00 34.13 30.60 1qbv s GLU 217 CO 0.08 -1.08 0.00 0.41 0.02 0.00 0.00 175.26 174.69 1qbv n GLY 219 N 4.57 -2.04 2.80 -1.39 0.00 -1.26 -4.71 105.19 103.15 1qbv n GLY 219 Ca -0.02 -1.41 -0.26 0.00 0.00 0.00 0.00 46.02 44.33 1qbv n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qbv n ASP 221 N 5.03 -5.10 -4.77 0.00 2.03 -1.26 -4.57 116.55 107.91 1qbv n ASP 221 Ca -0.09 -0.32 -0.38 0.00 0.52 0.00 0.00 54.79 54.51 1qbv n ASP 221 Cb 0.49 -3.80 -0.06 0.00 -0.72 0.00 0.00 41.12 37.03 1qbv n ASP 221 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 1qbv s ARG 221 N -5.74 4.61 0.29 -0.67 1.81 -1.26 -4.95 118.95 113.04 1qbv s ARG 221 Ca 0.35 1.45 -0.29 0.00 -1.72 0.00 0.00 55.73 55.52 1qbv s ARG 221 Cb -0.15 -2.94 -0.10 0.00 -0.45 0.00 0.00 34.95 31.31 1qbv s ARG 221 CO 0.43 0.28 1.36 -0.51 -0.68 0.00 0.00 175.30 176.18 1qbv s ASP 222 N -1.41 6.73 0.00 0.23 1.01 -1.26 -2.10 116.67 119.87 1qbv s ASP 222 Ca 0.48 2.66 0.00 0.00 0.71 0.00 0.00 52.55 56.40 1qbv s ASP 222 Cb -0.23 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 41.07 1qbv s ASP 222 CO 0.28 -0.60 0.00 0.61 0.21 0.00 0.00 175.17 175.67 1qbv n GLY 223 N 1.43 0.61 3.58 0.21 0.00 -1.26 -5.00 105.19 104.76 1qbv n GLY 223 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 1qbv n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qbv s LYS 224 N -0.24 2.09 0.09 1.61 -0.14 -0.89 -4.78 119.74 117.47 1qbv s LYS 224 Ca 0.00 -1.38 0.03 0.00 -1.36 0.00 0.00 55.97 53.25 1qbv s LYS 224 Cb 0.00 -2.11 -0.04 0.00 -1.68 0.00 0.00 37.83 34.00 1qbv s LYS 224 CO 0.00 0.40 -0.08 0.71 -0.76 0.00 0.00 175.35 175.62 1qbv s TYR 225 N -2.01 0.93 0.21 3.18 1.51 -1.26 -4.75 117.35 115.16 1qbv s TYR 225 Ca 0.28 -0.75 -0.27 0.00 -1.01 0.00 0.00 57.07 55.32 1qbv s TYR 225 Cb -0.07 -0.52 -0.09 0.00 -0.11 0.00 0.00 41.96 41.17 1qbv s TYR 225 CO 0.17 -0.08 0.85 0.20 -1.11 0.00 0.00 175.55 175.58 1qbv s GLY 226 N -2.62 2.96 -0.03 0.71 0.00 -0.88 -4.50 107.32 102.96 1qbv s GLY 226 Ca 0.06 0.46 0.04 0.00 0.00 0.00 0.00 44.72 45.28 1qbv s GLY 226 CO -0.02 0.97 -0.13 -1.36 0.00 0.00 0.00 173.10 172.56 1qbv s PHE 227 N -1.23 2.74 -0.01 1.90 0.40 0.01 -1.17 117.98 120.61 1qbv s PHE 227 Ca 0.40 -0.13 0.03 0.00 -0.60 0.00 0.00 56.93 56.62 1qbv s PHE 227 Cb -0.23 -1.61 -0.01 0.00 0.51 0.00 0.00 43.02 41.68 1qbv s PHE 227 CO 0.28 0.24 -0.10 0.71 0.70 0.00 0.00 175.22 177.05 1qbv s TYR 228 N -0.81 0.91 0.18 0.36 1.51 0.77 -1.81 117.35 118.46 1qbv s TYR 228 Ca 0.13 -0.18 -0.32 0.00 -1.01 0.00 0.00 57.07 55.69 1qbv s TYR 228 Cb -0.11 -0.59 -0.12 0.00 -0.11 0.00 0.00 41.96 41.03 1qbv s TYR 228 CO 0.02 -0.03 1.75 2.41 -1.11 0.00 0.00 175.55 178.60 1qbv n THR 229 N 2.90 0.11 -2.48 -0.71 -1.04 -0.29 -1.19 114.28 111.58 1qbv n THR 229 Ca -0.14 -0.02 -0.40 0.00 -2.04 0.00 0.00 64.05 61.45 1qbv n THR 229 Cb 0.56 -2.01 -0.03 0.00 -1.82 0.00 0.00 70.33 67.03 1qbv n THR 229 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 1qbv s HIS 230 N 1.62 2.27 0.18 -1.42 2.46 -0.17 -2.37 115.29 117.86 1qbv s HIS 230 Ca 0.77 -0.18 -0.11 0.00 0.47 0.00 0.00 55.06 56.02 1qbv s HIS 230 Cb -0.51 -4.57 0.08 0.00 -0.13 0.00 0.00 32.58 27.45 1qbv s HIS 230 CO 0.34 -2.04 1.70 0.28 -2.47 0.00 0.00 174.74 172.54 1qbv h VAL 231 N 6.40 1.25 -0.70 0.89 2.07 -1.58 -2.44 116.25 122.14 1qbv h VAL 231 Ca -0.12 -0.89 -0.03 0.00 0.82 0.00 0.00 66.70 66.49 1qbv h VAL 231 Cb 1.05 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 1qbv h VAL 231 CO 1.32 0.34 0.33 0.15 0.02 0.00 0.00 177.57 179.72 1qbv h PHE 232 N 0.90 1.00 0.00 1.57 3.57 -1.87 -0.80 116.94 121.31 1qbv h PHE 232 Ca 0.20 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 1qbv h PHE 232 Cb 0.33 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 38.76 1qbv h PHE 232 CO 0.02 0.74 -0.01 0.00 -2.23 0.00 0.00 178.31 176.83 1qbv h ARG 233 N 1.00 0.00 -0.28 1.11 2.47 -1.81 -2.23 114.38 114.63 1qbv h ARG 233 Ca 0.24 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.96 1qbv h ARG 233 Cb 0.12 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.44 1qbv h ARG 233 CO -0.03 0.01 0.00 1.28 0.56 0.00 0.00 179.97 181.79 1qbv n LEU 234 N -3.97 3.40 0.19 3.04 4.77 -0.40 -4.61 117.00 119.43 1qbv n LEU 234 Ca -0.03 -2.56 0.05 0.00 -0.03 0.00 0.00 56.01 53.44 1qbv n LEU 234 Cb 0.09 -0.40 0.38 0.00 -2.33 0.00 0.00 43.42 41.17 1qbv n LEU 234 CO 0.29 0.69 0.71 0.50 -1.33 0.00 0.00 177.39 178.26 1qbv h LYS 235 N 1.81 0.00 -0.69 3.23 3.64 -0.67 -1.88 116.57 122.01 1qbv h LYS 235 Ca 0.00 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 1qbv h LYS 235 Cb 1.11 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.90 1qbv h LYS 235 CO 0.12 0.36 0.24 0.87 -2.27 0.00 0.00 179.45 178.77 1qbv h LYS 236 N 0.00 1.04 -0.49 1.90 6.56 -1.82 0.60 116.57 124.36 1qbv h LYS 236 Ca -0.00 -0.19 -0.10 0.00 -1.06 0.00 0.00 60.65 59.30 1qbv h LYS 236 Cb 0.79 -0.17 -0.02 0.00 -0.57 0.00 0.00 32.23 32.27 1qbv h LYS 236 CO 0.05 0.87 -0.07 2.35 -2.06 0.00 0.00 179.45 180.58 1qbv h TRP 237 N 1.01 1.02 0.05 -1.35 7.01 -1.70 -1.80 115.95 120.19 1qbv h TRP 237 Ca 0.23 -0.20 0.01 0.00 2.11 0.00 0.00 58.89 61.03 1qbv h TRP 237 Cb 0.24 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 27.04 1qbv h TRP 237 CO 0.02 0.97 -0.08 0.82 -2.79 0.00 0.00 178.44 177.38 1qbv h ILE 238 N 0.77 0.81 -0.21 2.65 2.04 -0.86 -1.26 117.51 121.45 1qbv h ILE 238 Ca 0.13 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.02 1qbv h ILE 238 Cb 0.62 0.81 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 1qbv h ILE 238 CO 0.04 0.00 0.05 1.56 0.00 0.00 0.00 178.15 179.80 1qbv h GLN 239 N -0.17 0.13 -0.29 2.37 1.08 -0.85 -1.35 115.11 116.03 1qbv h GLN 239 Ca 0.01 -0.01 0.07 0.00 -1.45 0.00 0.00 58.65 57.27 1qbv h GLN 239 Cb 0.18 -0.03 -0.08 0.00 -0.05 0.00 0.00 27.48 27.50 1qbv h GLN 239 CO -0.04 0.09 -0.27 -0.22 -0.95 0.00 0.00 178.83 177.43 1qbv h LYS 240 N 0.14 -0.25 -0.56 1.46 3.64 -1.15 -1.28 116.57 118.57 1qbv h LYS 240 Ca 0.09 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 1qbv h LYS 240 Cb 0.08 0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 1qbv h LYS 240 CO -0.12 -0.16 0.32 0.28 -2.27 0.00 0.00 179.45 177.50 1qbv h VAL 241 N -0.25 1.18 -0.22 2.00 2.07 -0.78 -1.56 116.25 118.68 1qbv h VAL 241 Ca 0.15 -0.42 -0.11 0.00 0.82 0.00 0.00 66.70 67.14 1qbv h VAL 241 Cb 0.49 0.44 -0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1qbv h VAL 241 CO -0.43 0.19 -0.30 0.40 0.02 0.00 0.00 177.57 177.44 1qbv h ILE 242 N 0.75 1.32 -0.44 4.57 2.04 -0.67 -1.54 117.51 123.55 1qbv h ILE 242 Ca 0.20 -1.50 0.00 0.00 1.00 0.00 0.00 64.86 64.56 1qbv h ILE 242 Cb 0.02 1.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.86 1qbv h ILE 242 CO -0.03 0.46 0.00 -0.90 0.00 0.00 0.00 178.15 177.68 1qbv n ASP 243 N -4.32 2.84 -0.02 1.72 5.68 -0.54 -3.25 116.55 118.67 1qbv n ASP 243 Ca -0.05 -1.94 -0.18 0.00 -0.50 0.00 0.00 54.79 52.12 1qbv n ASP 243 Cb 0.47 -0.29 -0.14 0.00 -1.14 0.00 0.00 41.12 40.03 1qbv n ASP 243 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.20 177.54 1qbv n GLN 244 N 1.06 0.72 0.00 0.11 7.27 -0.59 -5.06 117.38 120.89 1qbv n GLN 244 Ca 0.18 0.25 0.03 0.00 0.07 0.00 0.00 57.00 57.53 1qbv n GLN 244 Cb 0.48 -1.70 0.03 0.00 2.41 0.00 0.00 30.24 31.45 1qbv n GLN 244 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 177.06 178.32