#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbi n LYS 2 N 0.00 -0.25 -0.09 0.00 2.85 -1.26 0.48 118.16 119.89 2qbi n LYS 2 Ca 0.00 1.02 -0.13 0.00 -1.05 0.00 0.00 58.31 58.15 2qbi n LYS 2 Cb 0.00 -1.50 -0.01 0.00 -0.65 0.00 0.00 35.03 32.87 2qbi n LYS 2 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 2qbi h LEU 3 N 0.00 0.93 -0.92 -5.58 7.12 -1.98 -2.84 115.31 112.04 2qbi h LEU 3 Ca 0.09 -0.46 0.08 0.00 0.13 0.00 0.00 57.88 57.73 2qbi h LEU 3 Cb 0.24 -0.26 -0.11 0.00 -0.53 0.00 0.00 40.66 39.99 2qbi h LEU 3 CO -0.54 1.24 -0.57 -0.74 -0.13 0.00 0.00 178.44 177.70 2qbi h HIS 4 N 0.68 -1.83 -0.31 1.25 2.76 -0.30 0.50 115.15 117.90 2qbi h HIS 4 Ca 0.04 0.12 -0.02 0.00 -2.20 0.00 0.00 60.37 58.31 2qbi h HIS 4 Cb 1.04 0.92 -0.01 0.00 1.55 0.00 0.00 27.41 30.91 2qbi h HIS 4 CO 0.06 -0.37 0.11 -0.44 -1.30 0.00 0.00 177.93 176.00 2qbi h ASP 5 N -0.03 0.43 -1.14 3.26 3.45 -0.94 -2.04 116.42 119.41 2qbi h ASP 5 Ca 0.15 -0.18 0.33 0.00 0.43 0.00 0.00 57.03 57.75 2qbi h ASP 5 Cb 0.41 -0.11 -0.06 0.00 -0.56 0.00 0.00 39.33 39.01 2qbi h ASP 5 CO -0.88 0.50 0.81 0.22 -1.57 0.00 0.00 179.24 178.31 2qbi h TYR 6 N 0.34 0.12 0.33 4.55 5.03 -0.52 0.31 116.97 127.13 2qbi h TYR 6 Ca 0.10 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.40 2qbi h TYR 6 Cb 0.21 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 38.46 2qbi h TYR 6 CO -0.00 0.01 -0.16 -0.92 -1.32 0.00 0.00 178.16 175.77 2qbi h TYR 7 N 0.07 -0.41 -0.10 -3.82 3.20 0.59 -0.53 116.97 115.97 2qbi h TYR 7 Ca 0.56 -0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.44 2qbi h TYR 7 Cb 2.10 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 40.49 2qbi h TYR 7 CO -0.00 -0.07 -0.00 -0.22 -1.64 0.00 0.00 178.16 176.22 2qbi h LYS 8 N -0.86 0.03 0.00 1.82 3.11 -0.62 -1.93 116.57 118.12 2qbi h LYS 8 Ca -0.05 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.79 2qbi h LYS 8 Cb 0.53 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.75 2qbi h LYS 8 CO 0.07 0.02 0.00 -0.25 -2.81 0.00 0.00 179.45 176.49 2qbi n ASP 9 N -5.11 0.00 0.27 4.20 10.43 0.80 -4.53 116.55 122.61 2qbi n ASP 9 Ca -0.05 0.07 -0.17 0.00 2.57 0.00 0.00 54.79 57.22 2qbi n ASP 9 Cb 0.07 0.00 -0.09 0.00 1.84 0.00 0.00 41.12 42.94 2qbi n ASP 9 CO 0.00 0.00 0.00 -0.08 -1.07 0.00 0.00 177.20 176.05 2qbi h GLU 10 N 0.00 -0.89 0.00 -1.24 4.22 -1.48 -3.40 114.58 111.79 2qbi h GLU 10 Ca 0.00 0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.50 2qbi h GLU 10 Cb 0.00 0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2qbi h GLU 10 CO 0.00 -0.60 0.00 0.28 -2.18 0.00 0.00 179.01 176.51 2qbi n VAL 11 N -5.28 0.00 0.00 0.32 0.31 -0.30 -3.61 118.33 109.77 2qbi n VAL 11 Ca -0.11 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.22 2qbi n VAL 11 Cb 0.43 -0.66 0.00 0.00 -0.91 0.00 0.00 33.84 32.69 2qbi n VAL 11 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2qbi n VAL 12 N -1.79 0.00 -0.25 2.52 0.31 -0.98 -3.92 118.33 114.23 2qbi n VAL 12 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2qbi n VAL 12 Cb 0.00 0.00 0.21 0.00 -0.91 0.00 0.00 33.84 33.14 2qbi n VAL 12 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 2qbi h LYS 13 N 0.00 1.06 -0.43 5.55 2.10 -1.77 0.52 116.57 123.60 2qbi h LYS 13 Ca 0.00 -0.08 0.06 0.00 -2.00 0.00 0.00 60.65 58.63 2qbi h LYS 13 Cb 0.00 -0.23 -0.05 0.00 -0.90 0.00 0.00 32.23 31.05 2qbi h LYS 13 CO 0.00 0.72 0.14 -0.22 -2.00 0.00 0.00 179.45 178.09 2qbi h LYS 14 N 1.08 0.30 -0.07 0.07 3.11 -1.68 0.11 116.57 119.50 2qbi h LYS 14 Ca 0.29 -0.02 -0.18 0.00 -2.81 0.00 0.00 60.65 57.93 2qbi h LYS 14 Cb -0.09 -0.07 -0.01 0.00 -1.00 0.00 0.00 32.23 31.07 2qbi h LYS 14 CO -0.06 0.20 -0.72 -0.07 -2.81 0.00 0.00 179.45 175.99 2qbi h LEU 15 N 0.31 0.42 -1.68 5.20 3.38 -1.68 -1.61 115.31 119.64 2qbi h LEU 15 Ca 0.20 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2qbi h LEU 15 Cb 0.20 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2qbi h LEU 15 CO -0.21 1.00 -0.05 0.24 0.09 0.00 0.00 178.44 179.51 2qbi h MET 16 N 0.24 0.14 0.00 1.13 2.86 0.12 -0.99 114.93 118.42 2qbi h MET 16 Ca -0.03 -0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 2qbi h MET 16 Cb 1.29 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.92 2qbi h MET 16 CO 0.12 0.20 -1.15 0.25 1.06 0.00 0.00 176.91 177.39 2qbi n THR 17 N -4.40 0.07 0.00 2.22 -2.24 0.29 -3.06 114.28 107.15 2qbi n THR 17 Ca -0.01 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.59 2qbi n THR 17 Cb 0.18 0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 2qbi n THR 17 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71 2qbi n GLU 18 N -1.81 0.00 0.13 -0.78 0.00 -0.61 -4.44 120.64 113.13 2qbi n GLU 18 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.29 2qbi n GLU 18 Cb 0.41 -0.14 0.51 0.00 0.00 0.00 0.00 31.44 32.22 2qbi n GLU 18 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 2qbi n PHE 19 N -0.40 0.77 -2.92 4.31 3.01 -0.45 -4.93 117.46 116.85 2qbi n PHE 19 Ca 0.00 0.33 -0.10 0.00 1.01 0.00 0.00 57.45 58.68 2qbi n PHE 19 Cb 0.00 -1.02 0.01 0.00 -0.01 0.00 0.00 39.48 38.46 2qbi n PHE 19 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 2qbi n ASN 20 N -2.23 -7.62 -4.77 4.37 5.15 -0.92 -4.98 115.26 104.27 2qbi n ASN 20 Ca 0.01 0.61 -0.37 0.00 -0.60 0.00 0.00 54.58 54.23 2qbi n ASN 20 Cb 0.18 -4.79 -0.06 0.00 -0.53 0.00 0.00 39.78 34.58 2qbi n ASN 20 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 2qbi s TYR 21 N -2.23 3.57 0.37 1.20 2.02 -1.22 -4.97 117.35 116.08 2qbi s TYR 21 Ca 0.21 0.82 0.26 0.00 -0.37 0.00 0.00 57.07 57.99 2qbi s TYR 21 Cb -0.05 -2.38 1.32 0.00 -0.40 0.00 0.00 41.96 40.45 2qbi s TYR 21 CO 0.76 0.36 2.02 -2.95 -1.57 0.00 0.00 175.55 174.17 2qbi h ASN 22 N 6.00 0.00 -4.21 2.29 -1.07 -1.93 -3.43 115.58 113.22 2qbi h ASN 22 Ca -0.45 0.00 -0.49 0.00 0.07 0.00 0.00 56.30 55.43 2qbi h ASN 22 Cb 1.19 0.00 -0.29 0.00 -2.07 0.00 0.00 38.32 37.15 2qbi h ASN 22 CO 0.70 0.15 -0.81 -0.55 0.07 0.00 0.00 177.43 176.99 2qbi s SER 23 N -6.23 1.66 0.65 6.14 0.15 -1.26 -5.00 113.70 109.82 2qbi s SER 23 Ca -0.02 -0.26 0.42 0.00 0.70 0.00 0.00 55.95 56.79 2qbi s SER 23 Cb 0.13 -0.18 2.31 0.00 -1.71 0.00 0.00 66.02 66.56 2qbi s SER 23 CO 0.60 0.17 2.34 1.62 1.20 0.00 0.00 173.24 179.18 2qbi h VAL 24 N 4.79 0.06 -1.09 4.45 3.04 -2.01 -3.00 116.25 122.48 2qbi h VAL 24 Ca -0.34 -0.04 -0.74 0.00 -1.01 0.00 0.00 66.70 64.57 2qbi h VAL 24 Cb 1.16 1.03 -0.12 0.00 -2.01 0.00 0.00 31.29 31.36 2qbi h VAL 24 CO 0.49 0.00 2.49 0.80 -1.01 0.00 0.00 177.57 180.34 2qbi n MET 25 N -3.17 4.55 0.00 4.17 0.00 -1.26 -3.79 117.12 117.63 2qbi n MET 25 Ca -0.03 -3.40 0.00 0.00 -0.00 0.00 0.00 57.70 54.28 2qbi n MET 25 Cb 0.09 -2.64 0.00 0.00 0.00 0.00 0.00 33.22 30.67 2qbi n MET 25 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 175.97 176.91 2qbi n GLN 26 N 1.81 0.00 -0.86 2.12 0.00 -1.13 -5.09 117.38 114.23 2qbi n GLN 26 Ca 0.63 0.00 -0.41 0.00 -0.00 0.00 0.00 57.00 57.23 2qbi n GLN 26 Cb 0.25 -0.03 -0.08 0.00 0.00 0.00 0.00 30.24 30.38 2qbi n GLN 26 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.06 178.39 2qbi n VAL 27 N -2.30 0.00 -1.50 1.69 0.24 -1.25 -4.53 118.33 110.69 2qbi n VAL 27 Ca 0.00 0.00 -0.33 0.00 -2.04 0.00 0.00 64.34 61.97 2qbi n VAL 27 Cb 0.00 -0.34 -0.17 0.00 -1.47 0.00 0.00 33.84 31.87 2qbi n VAL 27 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 2qbi n PRO 28 N 4.92 0.08 -1.70 7.34 -0.02 -1.26 -4.89 135.00 139.47 2qbi n PRO 28 Ca 0.36 -0.03 -0.30 0.00 -2.02 0.00 0.00 63.50 61.52 2qbi n PRO 28 Cb -0.03 -1.52 0.19 0.00 -0.02 0.00 0.00 33.50 32.12 2qbi n PRO 28 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2qbi s ARG 29 N 8.29 0.32 -0.09 -0.52 3.00 -1.26 -4.87 118.95 123.81 2qbi s ARG 29 Ca 1.31 -0.24 -0.21 0.00 0.00 0.00 0.00 55.73 56.59 2qbi s ARG 29 Cb -1.02 -1.79 -0.04 0.00 0.00 0.00 0.00 34.95 32.09 2qbi s ARG 29 CO 0.49 -2.66 0.59 0.08 0.00 0.00 0.00 175.30 173.80 2qbi s VAL 30 N -3.62 5.12 -0.71 3.52 1.01 -1.26 -3.14 120.40 121.33 2qbi s VAL 30 Ca 0.72 1.19 0.02 0.00 0.00 0.00 0.00 61.98 63.91 2qbi s VAL 30 Cb -0.06 -3.93 0.17 0.00 0.00 0.00 0.00 36.38 32.56 2qbi s VAL 30 CO 0.53 0.29 0.51 -0.70 0.00 0.00 0.00 175.10 175.74 2qbi s GLU 31 N 0.72 2.59 0.00 2.72 2.56 -1.15 -4.87 118.70 121.26 2qbi s GLU 31 Ca 0.32 -3.11 0.00 0.00 0.00 0.00 0.00 54.97 52.18 2qbi s GLU 31 Cb -0.16 -3.57 0.00 0.00 2.00 0.00 0.00 34.13 32.39 2qbi s GLU 31 CO 0.14 -1.24 0.00 0.36 -0.56 0.00 0.00 175.26 173.97 2qbi n LYS 32 N 2.44 0.00 -1.31 4.30 0.00 -1.26 -4.45 118.16 117.88 2qbi n LYS 32 Ca 0.16 0.00 -0.30 0.00 -0.00 0.00 0.00 58.31 58.17 2qbi n LYS 32 Cb 0.35 -0.36 0.12 0.00 -0.00 0.00 0.00 35.03 35.13 2qbi n LYS 32 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2qbi s ILE 33 N -0.58 2.90 -0.01 0.58 1.01 -1.26 -4.51 121.20 119.35 2qbi s ILE 33 Ca 0.00 0.29 -0.02 0.00 0.00 0.00 0.00 60.65 60.92 2qbi s ILE 33 Cb 0.00 -2.85 -0.01 0.00 0.01 0.00 0.00 42.46 39.61 2qbi s ILE 33 CO 0.00 -0.38 -0.05 0.35 0.00 0.00 0.00 174.94 174.85 2qbi n THR 34 N -3.69 0.63 -1.06 2.92 -2.24 -0.77 0.94 114.28 111.00 2qbi n THR 34 Ca 0.07 0.10 0.01 0.00 -2.27 0.00 0.00 64.05 61.97 2qbi n THR 34 Cb 0.55 -1.61 -0.01 0.00 -2.10 0.00 0.00 70.33 67.16 2qbi n THR 34 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2qbi n LEU 35 N -3.36 -1.09 0.16 3.22 4.77 -1.25 -1.16 117.00 118.28 2qbi n LEU 35 Ca -0.06 1.91 0.00 0.00 -0.03 0.00 0.00 56.01 57.83 2qbi n LEU 35 Cb 0.38 -1.86 0.00 0.00 -2.33 0.00 0.00 43.42 39.61 2qbi n LEU 35 CO 0.02 -0.67 0.00 -3.20 -1.33 0.00 0.00 177.39 172.20 2qbi n ASN 36 N -2.42 -1.63 -3.45 -1.43 5.15 -0.63 -4.02 115.26 106.83 2qbi n ASN 36 Ca -0.01 0.58 -0.19 0.00 -0.60 0.00 0.00 54.58 54.37 2qbi n ASN 36 Cb 0.35 1.66 0.03 0.00 -0.53 0.00 0.00 39.78 41.28 2qbi n ASN 36 CO 0.00 0.00 0.00 0.80 1.40 0.00 0.00 177.26 179.46 2qbi n MET 37 N -3.34 -1.46 -2.62 1.20 0.00 -1.26 -1.87 117.12 107.77 2qbi n MET 37 Ca 0.00 0.87 -0.43 0.00 -0.00 0.00 0.00 57.70 58.14 2qbi n MET 37 Cb 0.00 -4.55 0.00 0.00 0.00 0.00 0.00 33.22 28.67 2qbi n MET 37 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2qbi n GLY 38 N -1.63 3.94 0.29 -5.12 0.00 -1.26 -3.14 105.19 98.26 2qbi n GLY 38 Ca -0.10 -1.99 0.16 0.00 0.00 0.00 0.00 46.02 44.09 2qbi n GLY 38 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2qbi h VAL 39 N 4.30 0.36 0.00 1.61 3.04 -1.87 -3.46 116.25 120.23 2qbi h VAL 39 Ca 0.37 -0.32 0.00 0.00 -1.01 0.00 0.00 66.70 65.74 2qbi h VAL 39 Cb 0.76 1.23 0.00 0.00 -2.01 0.00 0.00 31.29 31.27 2qbi h VAL 39 CO 1.45 0.06 0.00 0.61 -1.01 0.00 0.00 177.57 178.67 2qbi n GLY 40 N -0.79 3.29 5.37 3.17 0.00 0.37 -4.80 105.19 111.80 2qbi n GLY 40 Ca -0.02 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.78 2qbi n GLY 40 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qbi n GLU 41 N 14.00 0.00 0.00 1.61 -0.58 -1.26 -4.78 120.64 129.63 2qbi n GLU 41 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2qbi n GLU 41 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2qbi n GLU 41 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qbi n ALA 42 N 6.06 0.00 -0.17 0.62 0.00 -1.26 -4.07 120.51 121.69 2qbi n ALA 42 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 2qbi n ALA 42 Cb 0.00 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.70 2qbi n ALA 42 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 2qbi n ILE 43 N 0.00 -0.22 0.00 0.00 0.13 -1.26 0.82 119.36 118.84 2qbi n ILE 43 Ca 0.00 1.07 0.00 0.00 -1.10 0.00 0.00 62.75 62.72 2qbi n ILE 43 Cb 0.00 -1.68 0.00 0.00 -0.84 0.00 0.00 39.64 37.12 2qbi n ILE 43 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2qbi n ALA 44 N -2.88 -0.00 0.08 1.51 0.00 -1.26 -4.65 120.51 113.32 2qbi n ALA 44 Ca 0.17 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.38 2qbi n ALA 44 Cb 0.57 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.88 2qbi n ALA 44 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2qbi h ASP 45 N 0.00 0.63 0.00 0.00 -0.00 -1.79 -3.47 116.42 111.79 2qbi h ASP 45 Ca 0.00 -0.90 0.00 0.00 -0.00 0.00 0.00 57.03 56.13 2qbi h ASP 45 Cb 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 39.33 39.12 2qbi h ASP 45 CO 0.00 1.76 0.00 0.29 -0.00 0.00 0.00 179.24 181.29 2qbi n LYS 46 N -3.60 0.00 0.09 0.28 5.02 0.24 -4.52 118.16 115.68 2qbi n LYS 46 Ca -0.23 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 55.98 2qbi n LYS 46 Cb 1.08 -0.34 -0.02 0.00 -0.02 0.00 0.00 35.03 35.73 2qbi n LYS 46 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2qbi h LYS 47 N 0.00 0.14 -0.05 1.97 6.56 -1.92 -3.10 116.57 120.18 2qbi h LYS 47 Ca 0.00 -0.17 0.01 0.00 -1.06 0.00 0.00 60.65 59.43 2qbi h LYS 47 Cb 0.00 0.05 -0.00 0.00 -0.57 0.00 0.00 32.23 31.71 2qbi h LYS 47 CO 0.00 0.95 0.24 1.37 -2.06 0.00 0.00 179.45 179.95 2qbi h LEU 48 N 0.07 0.00 0.39 2.94 -0.00 -1.93 0.91 115.31 117.68 2qbi h LEU 48 Ca -0.04 0.00 -0.02 0.00 -0.00 0.00 0.00 57.88 57.82 2qbi h LEU 48 Cb 1.55 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.21 2qbi h LEU 48 CO 0.13 0.00 -0.19 0.25 -0.00 0.00 0.00 178.44 178.64 2qbi h LEU 49 N 0.00 -0.44 -2.81 0.17 7.12 -1.86 -1.20 115.31 116.29 2qbi h LEU 49 Ca 0.02 -0.07 -0.00 0.00 0.13 0.00 0.00 57.88 57.96 2qbi h LEU 49 Cb 0.50 0.11 -0.00 0.00 -0.53 0.00 0.00 40.66 40.75 2qbi h LEU 49 CO -0.00 0.01 -0.00 -2.24 -0.13 0.00 0.00 178.44 176.07 2qbi h ASP 50 N -1.07 0.00 0.39 1.25 2.03 -1.34 0.27 116.42 117.95 2qbi h ASP 50 Ca -0.05 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.23 2qbi h ASP 50 Cb 0.48 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.99 2qbi h ASP 50 CO 0.09 0.00 -0.19 0.78 -1.03 0.00 0.00 179.24 178.89 2qbi h ASN 51 N 0.00 -0.45 -0.50 4.15 -0.26 -0.72 0.12 115.58 117.92 2qbi h ASN 51 Ca -0.00 0.02 0.12 0.00 -0.56 0.00 0.00 56.30 55.88 2qbi h ASN 51 Cb 0.02 0.12 -0.02 0.00 -1.06 0.00 0.00 38.32 37.37 2qbi h ASN 51 CO 0.00 -0.19 0.35 0.00 -1.06 0.00 0.00 177.43 176.53 2qbi h ALA 52 N -1.51 2.29 -0.59 -0.83 0.00 -0.65 0.63 119.26 118.62 2qbi h ALA 52 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2qbi h ALA 52 Cb 0.40 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2qbi h ALA 52 CO 0.09 -0.43 0.00 0.00 0.00 0.00 0.00 179.25 178.91 2qbi n ALA 53 N -2.59 -0.36 -0.24 0.00 0.00 0.91 0.30 120.51 118.53 2qbi n ALA 53 Ca 0.09 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.72 2qbi n ALA 53 Cb 0.48 0.00 0.53 0.00 0.00 0.00 0.00 19.45 20.46 2qbi n ALA 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbi h ALA 54 N -2.00 2.26 -0.79 0.00 0.00 -0.42 0.66 119.26 118.96 2qbi h ALA 54 Ca 0.00 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2qbi h ALA 54 Cb 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 2qbi h ALA 54 CO 0.00 -0.54 0.38 -0.44 0.00 0.00 0.00 179.25 178.65 2qbi h ASP 55 N 0.37 1.04 0.43 0.00 5.19 0.41 -1.21 116.42 122.65 2qbi h ASP 55 Ca 0.47 -0.14 -0.17 0.00 -0.62 0.00 0.00 57.03 56.57 2qbi h ASP 55 Cb 1.21 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 40.44 2qbi h ASP 55 CO -0.17 0.88 -0.71 0.25 -3.12 0.00 0.00 179.24 176.38 2qbi h LEU 56 N 1.12 0.28 0.00 1.55 7.12 0.47 -2.36 115.31 123.49 2qbi h LEU 56 Ca 0.27 -0.19 0.00 0.00 0.13 0.00 0.00 57.88 58.10 2qbi h LEU 56 Cb 0.12 -0.08 0.00 0.00 -0.53 0.00 0.00 40.66 40.17 2qbi h LEU 56 CO -0.03 0.90 0.00 0.00 -0.13 0.00 0.00 178.44 179.17 2qbi n ALA 57 N -2.47 1.90 -0.10 1.25 0.00 0.14 -1.56 120.51 119.68 2qbi n ALA 57 Ca -0.03 -0.08 -0.23 0.00 0.00 0.00 0.00 53.44 53.10 2qbi n ALA 57 Cb 0.69 -1.26 -0.12 0.00 0.00 0.00 0.00 19.45 18.76 2qbi n ALA 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbi n ALA 58 N -1.27 0.85 0.23 0.00 0.00 -0.54 -4.10 120.51 115.69 2qbi n ALA 58 Ca 0.08 -0.58 0.09 0.00 0.00 0.00 0.00 53.44 53.02 2qbi n ALA 58 Cb 0.12 -0.48 0.58 0.00 0.00 0.00 0.00 19.45 19.67 2qbi n ALA 58 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2qbi h ILE 59 N -0.90 0.84 -3.36 0.00 2.04 -1.40 -3.41 117.51 111.32 2qbi h ILE 59 Ca -0.40 -0.77 -0.44 0.00 1.00 0.00 0.00 64.86 64.24 2qbi h ILE 59 Cb 1.41 1.46 -0.35 0.00 -0.74 0.00 0.00 36.82 38.59 2qbi h ILE 59 CO -0.21 0.20 -0.78 -0.94 0.00 0.00 0.00 178.15 176.41 2qbi s SER 60 N -6.51 1.39 0.26 1.72 1.04 -0.60 -5.00 113.70 106.01 2qbi s SER 60 Ca -0.03 -0.16 0.20 0.00 0.48 0.00 0.00 55.95 56.44 2qbi s SER 60 Cb 0.14 -0.54 0.98 0.00 0.10 0.00 0.00 66.02 66.70 2qbi s SER 60 CO 0.64 -0.09 1.60 0.61 0.98 0.00 0.00 173.24 176.98 2qbi n GLY 61 N 4.46 -0.94 3.83 7.32 0.00 -1.26 -4.16 105.19 114.45 2qbi n GLY 61 Ca -0.18 0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 2qbi n GLY 61 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2qbi s GLN 62 N -3.42 4.13 -0.10 1.61 0.00 -1.26 -5.00 119.66 115.62 2qbi s GLN 62 Ca -0.00 0.94 -0.29 0.00 -0.00 0.00 0.00 55.36 56.00 2qbi s GLN 62 Cb 0.06 -2.27 -0.05 0.00 0.00 0.00 0.00 33.01 30.76 2qbi s GLN 62 CO 0.23 0.02 1.61 0.21 0.00 0.00 0.00 175.29 177.36 2qbi s LYS 63 N -3.17 4.11 0.62 9.60 2.20 -1.26 -4.61 119.74 127.22 2qbi s LYS 63 Ca 0.59 2.04 -0.19 0.00 -0.36 0.00 0.00 55.97 58.05 2qbi s LYS 63 Cb -0.09 -3.97 -0.02 0.00 -1.51 0.00 0.00 37.83 32.23 2qbi s LYS 63 CO 0.16 -0.92 1.30 -2.14 -0.36 0.00 0.00 175.35 173.39 2qbi s PRO 64 N 4.11 2.74 -0.52 4.03 0.02 -1.26 -4.94 135.00 139.17 2qbi s PRO 64 Ca 0.71 2.08 -0.13 0.00 0.02 0.00 0.00 61.00 63.68 2qbi s PRO 64 Cb -0.31 -1.95 0.13 0.00 0.02 0.00 0.00 34.50 32.39 2qbi s PRO 64 CO 0.28 -1.46 0.45 -1.17 -0.33 0.00 0.00 177.00 174.76 2qbi s LEU 65 N -4.13 6.01 -0.46 -5.54 2.96 -1.26 -4.98 118.68 111.27 2qbi s LEU 65 Ca 0.80 -1.88 -0.27 0.00 -0.22 0.00 0.00 54.13 52.56 2qbi s LEU 65 Cb -0.37 -2.13 -0.04 0.00 0.50 0.00 0.00 46.19 44.15 2qbi s LEU 65 CO 0.41 -0.78 2.08 -0.51 -1.32 0.00 0.00 176.35 176.22 2qbi s ILE 66 N 1.45 3.22 0.86 6.68 2.07 -1.26 -2.93 121.20 131.29 2qbi s ILE 66 Ca 0.05 0.17 -0.14 0.00 -1.41 0.00 0.00 60.65 59.31 2qbi s ILE 66 Cb -0.28 -3.44 0.22 0.00 0.13 0.00 0.00 42.46 39.09 2qbi s ILE 66 CO 0.01 -0.38 0.53 0.35 -1.91 0.00 0.00 174.94 173.54 2qbi n THR 67 N 7.59 0.00 -4.20 4.00 -2.24 0.18 -4.92 114.28 114.69 2qbi n THR 67 Ca 0.28 -0.03 -0.15 0.00 -2.27 0.00 0.00 64.05 61.87 2qbi n THR 67 Cb 0.51 -0.64 -0.08 0.00 -2.10 0.00 0.00 70.33 68.02 2qbi n THR 67 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2qbi s LYS 68 N -4.26 1.58 0.55 -0.78 2.47 -1.26 -3.62 119.74 114.43 2qbi s LYS 68 Ca 0.40 -1.79 -0.11 0.00 -1.56 0.00 0.00 55.97 52.92 2qbi s LYS 68 Cb -0.07 0.34 -0.05 0.00 -1.46 0.00 0.00 37.83 36.59 2qbi s LYS 68 CO 0.33 -0.59 0.95 0.00 0.16 0.00 0.00 175.35 176.20 2qbi s ALA 69 N -3.66 3.18 0.00 3.13 0.00 0.61 -4.69 121.76 120.34 2qbi s ALA 69 Ca 0.37 -0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.18 2qbi s ALA 69 Cb 0.03 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.21 2qbi s ALA 69 CO 0.20 -0.49 0.00 -2.13 0.00 0.00 0.00 175.76 173.34 2qbi n ARG 70 N -2.33 0.00 0.22 0.00 0.63 -1.26 -4.57 116.66 109.35 2qbi n ARG 70 Ca 0.05 0.00 0.12 0.00 -0.92 0.00 0.00 57.85 57.10 2qbi n ARG 70 Cb 0.54 0.00 0.67 0.00 0.45 0.00 0.00 32.46 34.12 2qbi n ARG 70 CO 0.00 0.00 0.00 -0.22 -2.51 0.00 0.00 177.63 174.90 2qbi h LYS 71 N 0.00 0.00 0.00 -0.14 3.64 -1.97 -3.42 116.57 114.68 2qbi h LYS 71 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2qbi h LYS 71 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 2qbi h LYS 71 CO 0.00 0.00 0.00 0.45 -2.27 0.00 0.00 179.45 177.63 2qbi n SER 72 N -2.42 0.00 -4.52 4.20 2.88 -1.26 -4.83 113.62 107.67 2qbi n SER 72 Ca -0.02 0.00 -0.52 0.00 -1.33 0.00 0.00 58.87 57.00 2qbi n SER 72 Cb 0.16 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.57 2qbi n SER 72 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2qbi n VAL 73 N 0.00 0.74 -3.54 2.46 0.31 -1.26 -4.14 118.33 112.90 2qbi n VAL 73 Ca 0.00 -0.18 -0.17 0.00 -0.01 0.00 0.00 64.34 63.98 2qbi n VAL 73 Cb 0.00 -0.39 -0.06 0.00 -0.91 0.00 0.00 33.84 32.48 2qbi n VAL 73 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qbi s ALA 74 N -0.23 -1.80 0.58 3.52 0.00 -1.21 -5.00 121.76 117.63 2qbi s ALA 74 Ca 0.78 1.42 0.28 0.00 0.00 0.00 0.00 51.96 54.44 2qbi s ALA 74 Cb -1.02 -0.21 1.59 0.00 0.00 0.00 0.00 23.12 23.48 2qbi s ALA 74 CO 0.54 -0.36 2.06 0.78 0.00 0.00 0.00 175.76 178.78 2qbi h GLY 75 N 3.11 0.00 0.00 0.00 0.00 -2.00 -3.33 103.07 100.85 2qbi h GLY 75 Ca -0.26 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.07 2qbi h GLY 75 CO 0.35 0.00 0.00 0.69 0.00 0.00 0.00 176.54 177.58 2qbi n PHE 76 N -3.87 0.00 0.00 5.60 3.72 -1.26 -5.11 117.46 116.54 2qbi n PHE 76 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 2qbi n PHE 76 Cb 0.40 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 2qbi n PHE 76 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2qbi n LYS 77 N 0.00 0.00 -1.43 -1.08 3.00 -1.25 -5.16 118.16 112.23 2qbi n LYS 77 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2qbi n LYS 77 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 2qbi n LYS 77 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 2qbi n ILE 78 N 0.00 -4.78 -3.66 3.15 -0.00 -1.26 -3.32 119.36 109.48 2qbi n ILE 78 Ca 0.00 2.11 -0.12 0.00 -0.00 0.00 0.00 62.75 64.74 2qbi n ILE 78 Cb 0.00 -2.91 -0.12 0.00 -0.00 0.00 0.00 39.64 36.61 2qbi n ILE 78 CO 0.00 0.00 0.00 -0.13 -0.00 0.00 0.00 176.55 176.42 2qbi s ARG 79 N -3.41 0.22 0.00 0.38 0.52 -1.26 -4.32 118.95 111.08 2qbi s ARG 79 Ca 0.00 0.85 0.00 0.00 -0.52 0.00 0.00 55.73 56.06 2qbi s ARG 79 Cb 0.00 0.10 0.00 0.00 0.52 0.00 0.00 34.95 35.57 2qbi s ARG 79 CO 0.00 -0.27 0.00 0.94 0.02 0.00 0.00 175.30 175.99 2qbi n GLN 80 N 5.30 0.00 0.00 3.54 -0.06 -1.26 -0.80 117.38 124.10 2qbi n GLN 80 Ca -0.08 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.92 2qbi n GLN 80 Cb 0.50 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.68 2qbi n GLN 80 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2qbi n GLY 81 N 0.00 -2.62 3.07 1.69 0.00 -1.26 -3.15 105.19 102.92 2qbi n GLY 81 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2qbi n GLY 81 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2qbi n TYR 82 N -0.42 0.00 -1.73 1.61 4.19 0.02 0.22 117.16 121.06 2qbi n TYR 82 Ca 0.00 0.00 -0.37 0.00 3.31 0.00 0.00 57.90 60.84 2qbi n TYR 82 Cb 0.00 -0.96 0.07 0.00 0.49 0.00 0.00 39.34 38.94 2qbi n TYR 82 CO 0.00 0.00 0.00 -2.30 0.91 0.00 0.00 176.86 175.47 2qbi n PRO 83 N 1.37 1.12 0.00 2.98 -0.02 -1.26 -0.60 135.00 138.59 2qbi n PRO 83 Ca 0.00 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 2qbi n PRO 83 Cb 0.44 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 2qbi n PRO 83 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2qbi n ILE 84 N -1.91 0.00 -2.13 4.25 5.41 -1.24 -4.68 119.36 119.06 2qbi n ILE 84 Ca 0.16 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.91 2qbi n ILE 84 Cb 0.48 -0.52 0.00 0.00 -0.71 0.00 0.00 39.64 38.89 2qbi n ILE 84 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2qbi n GLY 85 N 1.67 4.50 3.05 7.39 0.00 -1.26 0.14 105.19 120.68 2qbi n GLY 85 Ca 0.00 -1.03 -0.03 0.00 0.00 0.00 0.00 46.02 44.96 2qbi n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbi n LYS 87 N 4.11 0.00 -2.33 0.00 2.85 -1.04 -4.18 118.16 117.56 2qbi n LYS 87 Ca 0.13 0.24 -0.02 0.00 -1.05 0.00 0.00 58.31 57.60 2qbi n LYS 87 Cb 0.55 -0.89 0.00 0.00 -0.65 0.00 0.00 35.03 34.04 2qbi n LYS 87 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 177.40 177.63 2qbi n VAL 88 N -0.63 -6.60 -0.62 0.58 0.31 -1.25 -2.66 118.33 107.46 2qbi n VAL 88 Ca 0.00 0.14 -0.31 0.00 -0.01 0.00 0.00 64.34 64.17 2qbi n VAL 88 Cb 0.00 -5.62 0.28 0.00 -0.91 0.00 0.00 33.84 27.58 2qbi n VAL 88 CO 0.00 0.00 0.00 0.42 -1.32 0.00 0.00 176.83 175.93 2qbi s THR 89 N -2.52 1.26 0.28 2.52 -4.23 -0.31 -4.28 115.64 108.36 2qbi s THR 89 Ca 0.06 0.00 0.09 0.00 -1.18 0.00 0.00 61.69 60.66 2qbi s THR 89 Cb -0.02 -2.23 -0.04 0.00 1.34 0.00 0.00 72.50 71.55 2qbi s THR 89 CO 0.43 0.00 0.02 -0.76 -0.54 0.00 0.00 174.62 173.77 2qbi s LEU 90 N -7.60 3.20 -0.18 4.79 2.01 0.27 -4.86 118.68 116.31 2qbi s LEU 90 Ca 0.70 -0.68 -0.01 0.00 0.01 0.00 0.00 54.13 54.14 2qbi s LEU 90 Cb -0.10 -1.70 0.05 0.00 0.01 0.00 0.00 46.19 44.45 2qbi s LEU 90 CO 0.57 -0.06 -0.01 0.00 1.01 0.00 0.00 176.35 177.86 2qbi s ARG 91 N -3.70 1.01 0.00 1.70 3.03 -1.26 -4.28 118.95 115.44 2qbi s ARG 91 Ca 0.33 -0.47 0.00 0.00 2.03 0.00 0.00 55.73 57.61 2qbi s ARG 91 Cb -0.05 -2.03 0.00 0.00 -1.03 0.00 0.00 34.95 31.84 2qbi s ARG 91 CO 0.20 -0.54 0.00 0.41 -1.13 0.00 0.00 175.30 174.24 2qbi n GLY 92 N 4.96 0.07 0.00 3.88 0.00 -1.26 -1.28 105.19 111.56 2qbi n GLY 92 Ca -0.10 0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.95 2qbi n GLY 92 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2qbi n GLU 93 N 0.00 0.00 0.06 1.61 -0.58 -1.26 0.18 120.64 120.64 2qbi n GLU 93 Ca 0.00 0.67 0.20 0.00 -0.42 0.00 0.00 57.16 57.61 2qbi n GLU 93 Cb 0.00 -1.35 0.73 0.00 -0.57 0.00 0.00 31.44 30.26 2qbi n GLU 93 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 2qbi h ARG 94 N 0.00 0.00 0.19 3.49 9.65 -1.61 1.00 114.38 127.10 2qbi h ARG 94 Ca 0.00 0.00 -0.01 0.00 -1.10 0.00 0.00 59.98 58.87 2qbi h ARG 94 Cb 0.00 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.58 2qbi h ARG 94 CO 0.00 0.00 -0.09 1.98 2.80 0.00 0.00 179.97 184.66 2qbi h MET 95 N 0.00 -0.24 -0.57 0.20 4.05 0.05 0.82 114.93 119.24 2qbi h MET 95 Ca 0.21 0.02 0.08 0.00 -0.28 0.00 0.00 59.70 59.73 2qbi h MET 95 Cb 0.98 0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 31.80 2qbi h MET 95 CO -0.00 -0.16 0.38 -1.49 0.23 0.00 0.00 176.91 175.87 2qbi h TRP 96 N -0.36 0.46 -0.35 1.39 6.55 0.21 1.24 115.95 125.09 2qbi h TRP 96 Ca -0.03 0.01 -0.08 0.00 0.95 0.00 0.00 58.89 59.74 2qbi h TRP 96 Cb 0.19 -0.15 -0.02 0.00 -0.86 0.00 0.00 29.16 28.33 2qbi h TRP 96 CO 0.10 0.23 -0.13 1.49 -1.05 0.00 0.00 178.44 179.08 2qbi h GLU 97 N 0.44 0.62 -0.08 0.49 4.22 -0.84 -0.00 114.58 119.43 2qbi h GLU 97 Ca 0.26 -0.20 -0.22 0.00 0.08 0.00 0.00 59.36 59.29 2qbi h GLU 97 Cb 0.44 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.65 2qbi h GLU 97 CO -0.07 0.73 -0.80 0.35 -2.18 0.00 0.00 179.01 177.04 2qbi h PHE 98 N 0.56 0.95 0.00 0.92 3.57 0.22 0.35 116.94 123.52 2qbi h PHE 98 Ca 0.10 -0.47 0.00 0.00 3.53 0.00 0.00 57.97 61.13 2qbi h PHE 98 Cb 0.56 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 39.17 2qbi h PHE 98 CO 0.02 1.29 0.00 0.34 -2.23 0.00 0.00 178.31 177.73 2qbi n PHE 99 N -3.99 0.14 -0.12 0.41 7.35 0.39 -0.83 117.46 120.80 2qbi n PHE 99 Ca -0.09 0.07 -0.21 0.00 -0.76 0.00 0.00 57.45 56.45 2qbi n PHE 99 Cb 0.76 -0.61 -0.07 0.00 0.35 0.00 0.00 39.48 39.91 2qbi n PHE 99 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 2qbi n GLU 100 N -1.64 0.56 -0.33 -4.13 4.07 -0.07 -4.35 120.64 114.75 2qbi n GLU 100 Ca 0.01 0.29 0.21 0.00 -0.06 0.00 0.00 57.16 57.61 2qbi n GLU 100 Cb 0.05 -1.51 0.44 0.00 -0.06 0.00 0.00 31.44 30.37 2qbi n GLU 100 CO 0.00 0.00 0.00 -0.09 -0.06 0.00 0.00 177.13 176.98 2qbi h ARG 101 N -1.00 0.37 -6.44 5.31 2.43 0.61 -3.10 114.38 112.57 2qbi h ARG 101 Ca -0.41 -0.02 -0.42 0.00 -0.81 0.00 0.00 59.98 58.31 2qbi h ARG 101 Cb 1.33 -0.08 0.02 0.00 -0.42 0.00 0.00 29.97 30.82 2qbi h ARG 101 CO -0.25 0.25 -0.26 -0.48 -1.51 0.00 0.00 179.97 177.71 2qbi s LEU 102 N -10.42 3.70 0.00 3.80 -0.00 -0.01 -2.29 118.68 113.46 2qbi s LEU 102 Ca -0.10 -0.35 0.00 0.00 -0.00 0.00 0.00 54.13 53.68 2qbi s LEU 102 Cb 0.29 -2.69 0.00 0.00 -0.00 0.00 0.00 46.19 43.79 2qbi s LEU 102 CO 0.79 -0.72 0.00 0.00 -0.00 0.00 0.00 176.35 176.42 2qbi n ILE 103 N -1.84 0.00 0.25 1.48 3.06 -1.26 -4.26 119.36 116.79 2qbi n ILE 103 Ca 0.06 0.00 0.03 0.00 -2.50 0.00 0.00 62.75 60.34 2qbi n ILE 103 Cb 0.59 0.00 -0.02 0.00 0.54 0.00 0.00 39.64 40.74 2qbi n ILE 103 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 2qbi n THR 104 N -0.04 0.00 0.00 9.51 -1.04 -1.17 -4.54 114.28 117.00 2qbi n THR 104 Ca 0.00 -0.39 0.00 0.00 -2.04 0.00 0.00 64.05 61.62 2qbi n THR 104 Cb 0.00 1.01 0.00 0.00 -1.82 0.00 0.00 70.33 69.52 2qbi n THR 104 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2qbi n ILE 105 N -0.96 0.00 0.02 12.58 5.41 -1.08 -4.80 119.36 130.53 2qbi n ILE 105 Ca 0.01 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.75 2qbi n ILE 105 Cb 0.09 0.00 -0.00 0.00 -0.71 0.00 0.00 39.64 39.02 2qbi n ILE 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qbi h ALA 106 N 0.00 -0.34 -1.00 -1.39 0.00 -1.72 -0.36 119.26 114.44 2qbi h ALA 106 Ca 0.00 -0.01 0.21 0.00 0.00 0.00 0.00 54.91 55.10 2qbi h ALA 106 Cb 0.00 0.02 -0.11 0.00 0.00 0.00 0.00 17.79 17.70 2qbi h ALA 106 CO 0.00 -0.34 0.61 0.28 0.00 0.00 0.00 179.25 179.81 2qbi h VAL 107 N -0.15 0.66 -0.91 0.00 2.07 -1.88 0.32 116.25 116.36 2qbi h VAL 107 Ca -0.01 -0.24 -0.02 0.00 0.82 0.00 0.00 66.70 67.26 2qbi h VAL 107 Cb 0.05 -0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 29.68 2qbi h VAL 107 CO 0.01 0.13 0.51 -0.65 0.02 0.00 0.00 177.57 177.58 2qbi h PRO 108 N 0.69 1.27 -3.56 1.57 0.11 -1.80 -3.00 132.00 127.28 2qbi h PRO 108 Ca 0.59 -0.14 -0.65 0.00 0.11 0.00 0.00 66.00 65.91 2qbi h PRO 108 Cb 1.02 -0.25 0.00 0.00 0.11 0.00 0.00 31.00 31.88 2qbi h PRO 108 CO -0.39 0.92 3.32 -2.13 -0.21 0.00 0.00 178.00 179.51 2qbi n ARG 109 N -4.33 3.01 -0.04 1.05 0.00 0.11 -4.90 116.66 111.57 2qbi n ARG 109 Ca 0.10 -2.24 -0.02 0.00 -0.00 0.00 0.00 57.85 55.69 2qbi n ARG 109 Cb 0.09 -2.96 0.02 0.00 0.00 0.00 0.00 32.46 29.61 2qbi n ARG 109 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.63 178.07 2qbi n ILE 110 N 4.45 0.00 0.00 5.15 -5.35 -1.14 -4.82 119.36 117.65 2qbi n ILE 110 Ca 0.62 -0.01 0.00 0.00 -0.27 0.00 0.00 62.75 63.09 2qbi n ILE 110 Cb 0.30 -0.48 0.00 0.00 -1.74 0.00 0.00 39.64 37.72 2qbi n ILE 110 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2qbi n ARG 111 N -2.00 2.33 0.00 6.28 3.00 -1.26 -4.89 116.66 120.11 2qbi n ARG 111 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.85 2qbi n ARG 111 Cb 0.04 -0.73 0.00 0.00 0.00 0.00 0.00 32.46 31.77 2qbi n ARG 111 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2qbi n ASP 112 N -1.01 0.00 -3.93 0.55 2.03 -1.26 -5.13 116.55 107.80 2qbi n ASP 112 Ca 0.00 0.00 -0.54 0.00 0.52 0.00 0.00 54.79 54.77 2qbi n ASP 112 Cb 0.15 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.47 2qbi n ASP 112 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 2qbi n PHE 113 N 0.00 1.09 -2.75 -0.67 7.35 -1.26 -4.87 117.46 116.35 2qbi n PHE 113 Ca 0.00 0.94 -0.03 0.00 -0.76 0.00 0.00 57.45 57.60 2qbi n PHE 113 Cb 0.00 -1.83 0.06 0.00 0.35 0.00 0.00 39.48 38.06 2qbi n PHE 113 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 2qbi n ARG 114 N 2.50 1.47 0.00 -4.13 3.00 -1.26 -5.06 116.66 113.18 2qbi n ARG 114 Ca 0.22 -2.96 0.00 0.00 -0.00 0.00 0.00 57.85 55.11 2qbi n ARG 114 Cb -0.00 -1.08 0.00 0.00 0.00 0.00 0.00 32.46 31.38 2qbi n ARG 114 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2qbi n GLY 115 N -0.59 3.99 3.79 5.14 0.00 -1.26 -5.07 105.19 111.19 2qbi n GLY 115 Ca 0.03 -1.14 -0.36 0.00 0.00 0.00 0.00 46.02 44.56 2qbi n GLY 115 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qbi s LEU 116 N 0.00 4.01 0.57 0.99 2.96 0.29 -4.86 118.68 122.64 2qbi s LEU 116 Ca 0.00 0.30 -0.20 0.00 -0.22 0.00 0.00 54.13 54.00 2qbi s LEU 116 Cb 0.00 -2.01 -0.04 0.00 0.50 0.00 0.00 46.19 44.63 2qbi s LEU 116 CO 0.00 0.38 1.21 -0.24 -1.32 0.00 0.00 176.35 176.38 2qbi n SER 117 N 1.91 1.92 -0.32 3.68 2.88 -1.26 -0.02 113.62 122.41 2qbi n SER 117 Ca -0.18 0.90 0.03 0.00 -1.33 0.00 0.00 58.87 58.29 2qbi n SER 117 Cb 0.54 -1.50 0.08 0.00 -0.75 0.00 0.00 64.21 62.58 2qbi n SER 117 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qbi n ALA 118 N -1.38 2.11 -1.21 -1.46 0.00 -1.26 -4.50 120.51 112.81 2qbi n ALA 118 Ca 0.12 -1.15 0.09 0.00 0.00 0.00 0.00 53.44 52.50 2qbi n ALA 118 Cb 0.46 -0.23 0.13 0.00 0.00 0.00 0.00 19.45 19.80 2qbi n ALA 118 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2qbi n LYS 119 N -0.07 1.13 0.00 0.00 5.02 -1.26 -4.65 118.16 118.34 2qbi n LYS 119 Ca 0.06 -2.42 0.11 0.00 -2.02 0.00 0.00 58.31 54.05 2qbi n LYS 119 Cb 0.36 -1.38 0.65 0.00 -0.02 0.00 0.00 35.03 34.64 2qbi n LYS 119 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2qbi n SER 120 N -1.24 0.00 -4.63 4.39 3.41 -1.26 -4.82 113.62 109.46 2qbi n SER 120 Ca 0.14 -0.49 -0.29 0.00 -0.26 0.00 0.00 58.87 57.98 2qbi n SER 120 Cb 0.65 -0.10 0.20 0.00 -0.26 0.00 0.00 64.21 64.70 2qbi n SER 120 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 2qbi s PHE 121 N -2.20 1.91 -0.10 7.33 -0.00 -1.26 -1.76 117.98 121.89 2qbi s PHE 121 Ca 0.30 1.03 -0.10 0.00 -0.00 0.00 0.00 56.93 58.16 2qbi s PHE 121 Cb 0.16 -3.22 -0.03 0.00 -0.00 0.00 0.00 43.02 39.92 2qbi s PHE 121 CO 0.29 -3.16 -0.20 -0.25 -0.00 0.00 0.00 175.22 171.91 2qbi n ASP 122 N -4.38 1.13 0.00 1.98 10.43 -0.78 -4.84 116.55 120.09 2qbi n ASP 122 Ca 0.05 0.21 0.00 0.00 2.57 0.00 0.00 54.79 57.62 2qbi n ASP 122 Cb 0.57 -0.65 0.00 0.00 1.84 0.00 0.00 41.12 42.88 2qbi n ASP 122 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2qbi n GLY 123 N 1.49 0.00 0.03 0.44 0.00 -1.26 -4.95 105.19 100.93 2qbi n GLY 123 Ca -0.08 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.06 2qbi n GLY 123 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2qbi n ARG 124 N 0.00 0.16 0.00 1.61 3.00 -1.26 -3.22 116.66 116.94 2qbi n ARG 124 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 57.85 57.88 2qbi n ARG 124 Cb 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 32.46 30.87 2qbi n ARG 124 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2qbi n GLY 125 N 1.42 1.79 3.85 5.14 0.00 -1.26 -2.21 105.19 113.91 2qbi n GLY 125 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 2qbi n GLY 125 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2qbi s ASN 126 N -1.86 5.87 0.13 1.61 -0.87 -1.26 -4.23 114.94 114.33 2qbi s ASN 126 Ca 0.00 1.50 0.07 0.00 -1.57 0.00 0.00 52.86 52.86 2qbi s ASN 126 Cb 0.00 -2.47 -0.04 0.00 -0.02 0.00 0.00 41.25 38.72 2qbi s ASN 126 CO 0.00 -1.11 -0.17 -0.31 -2.57 0.00 0.00 177.10 172.93 2qbi s TYR 127 N -3.13 1.63 -0.24 2.20 1.51 -1.26 -1.87 117.35 116.20 2qbi s TYR 127 Ca 0.56 -0.48 -0.06 0.00 -1.01 0.00 0.00 57.07 56.08 2qbi s TYR 127 Cb -0.12 -0.85 0.12 0.00 -0.11 0.00 0.00 41.96 40.99 2qbi s TYR 127 CO 0.54 0.22 0.46 -1.54 -1.11 0.00 0.00 175.55 174.13 2qbi s SER 128 N -2.36 -0.39 -0.15 2.29 1.04 -0.72 -0.77 113.70 112.64 2qbi s SER 128 Ca 0.10 0.88 -0.04 0.00 0.48 0.00 0.00 55.95 57.36 2qbi s SER 128 Cb -0.07 1.52 0.05 0.00 0.10 0.00 0.00 66.02 67.63 2qbi s SER 128 CO 0.05 -0.25 0.08 0.00 0.98 0.00 0.00 173.24 174.10 2qbi s MET 129 N 2.67 0.04 0.13 4.02 0.23 -0.85 -4.66 119.30 120.88 2qbi s MET 129 Ca 0.04 0.00 -0.31 0.00 -1.03 0.00 0.00 55.69 54.39 2qbi s MET 129 Cb -0.13 -1.59 -0.09 0.00 -1.53 0.00 0.00 34.83 31.48 2qbi s MET 129 CO -0.15 -0.61 1.57 0.20 -2.03 0.00 0.00 175.02 174.00 2qbi s GLY 130 N 2.14 1.60 0.00 3.16 0.00 -1.26 -3.92 107.32 109.04 2qbi s GLY 130 Ca 0.03 1.30 0.00 0.00 0.00 0.00 0.00 44.72 46.04 2qbi s GLY 130 CO -0.08 2.67 0.95 3.33 0.00 0.00 0.00 173.10 179.97 2qbi n VAL 131 N 4.17 1.81 0.00 1.40 0.24 -0.99 -4.77 118.33 120.20 2qbi n VAL 131 Ca 0.14 0.48 0.00 0.00 -2.04 0.00 0.00 64.34 62.92 2qbi n VAL 131 Cb 0.39 -1.48 0.00 0.00 -1.47 0.00 0.00 33.84 31.29 2qbi n VAL 131 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2qbi n ARG 132 N -1.45 0.00 0.00 7.34 5.12 -1.26 -4.72 116.66 121.69 2qbi n ARG 132 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2qbi n ARG 132 Cb 0.02 -3.18 0.00 0.00 -1.16 0.00 0.00 32.46 28.15 2qbi n ARG 132 CO 0.00 0.00 0.00 -1.91 -1.93 0.00 0.00 177.63 173.79 2qbi n GLU 133 N -1.94 0.00 -1.57 5.56 0.00 -1.26 -4.86 120.64 116.56 2qbi n GLU 133 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.74 2qbi n GLU 133 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 31.44 31.40 2qbi n GLU 133 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.13 178.07 2qbi n GLN 134 N -0.06 1.62 0.00 5.31 0.00 -1.26 -4.73 117.38 118.25 2qbi n GLN 134 Ca 0.00 0.36 0.00 0.00 -0.00 0.00 0.00 57.00 57.36 2qbi n GLN 134 Cb 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 30.24 27.02 2qbi n GLN 134 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.06 177.50 2qbi n ILE 135 N 7.79 0.00 -1.18 1.69 -6.64 -1.26 -4.63 119.36 115.12 2qbi n ILE 135 Ca 0.33 0.00 -0.06 0.00 -1.77 0.00 0.00 62.75 61.25 2qbi n ILE 135 Cb 0.45 -0.50 -0.03 0.00 -1.44 0.00 0.00 39.64 38.12 2qbi n ILE 135 CO 0.00 0.00 0.00 -0.38 -1.77 0.00 0.00 176.55 174.40 2qbi n ILE 136 N -0.39 0.00 -0.88 7.28 2.08 -1.26 -4.95 119.36 121.24 2qbi n ILE 136 Ca 0.00 0.00 -0.35 0.00 0.56 0.00 0.00 62.75 62.96 2qbi n ILE 136 Cb 0.00 -1.06 0.09 0.00 -0.75 0.00 0.00 39.64 37.92 2qbi n ILE 136 CO 0.00 0.00 0.00 2.22 0.56 0.00 0.00 176.55 179.33 2qbi n PHE 137 N -2.42 -2.79 0.00 1.39 -0.00 -1.26 -3.99 117.46 108.39 2qbi n PHE 137 Ca -0.06 0.19 0.00 0.00 -0.00 0.00 0.00 57.45 57.57 2qbi n PHE 137 Cb 0.41 -1.56 0.00 0.00 -0.00 0.00 0.00 39.48 38.32 2qbi n PHE 137 CO 0.00 0.00 0.00 -2.30 -0.00 0.00 0.00 176.76 174.46 2qbi n PRO 138 N 0.37 0.00 -3.27 3.97 -0.02 -1.26 -4.82 135.00 129.97 2qbi n PRO 138 Ca 0.01 0.00 -0.20 0.00 -2.02 0.00 0.00 63.50 61.29 2qbi n PRO 138 Cb 0.59 0.00 0.01 0.00 -0.02 0.00 0.00 33.50 34.08 2qbi n PRO 138 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2qbi n GLU 139 N 0.00 0.79 -2.55 -0.52 0.00 -1.26 -4.56 120.64 112.55 2qbi n GLU 139 Ca 0.00 -2.79 -0.42 0.00 0.00 0.00 0.00 57.16 53.95 2qbi n GLU 139 Cb 0.00 0.21 -0.02 0.00 0.00 0.00 0.00 31.44 31.63 2qbi n GLU 139 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2qbi s ILE 140 N -2.20 4.04 -0.43 6.31 1.01 -1.26 -4.21 121.20 124.46 2qbi s ILE 140 Ca 0.30 0.98 -0.29 0.00 0.00 0.00 0.00 60.65 61.65 2qbi s ILE 140 Cb -0.02 -4.62 0.04 0.00 0.01 0.00 0.00 42.46 37.87 2qbi s ILE 140 CO 0.19 -1.18 0.62 0.47 0.00 0.00 0.00 174.94 175.05 2qbi n ASP 141 N 8.41 -6.57 -0.07 3.58 8.00 -1.26 -4.04 116.55 124.59 2qbi n ASP 141 Ca 0.11 0.16 0.21 0.00 0.71 0.00 0.00 54.79 55.97 2qbi n ASP 141 Cb 0.49 -3.26 0.32 0.00 -0.02 0.00 0.00 41.12 38.65 2qbi n ASP 141 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 2qbi h TYR 142 N 2.09 0.00 0.02 1.24 -1.99 -1.90 1.05 116.97 117.48 2qbi h TYR 142 Ca -0.32 0.00 -0.37 0.00 2.00 0.00 0.00 58.73 60.04 2qbi h TYR 142 Cb 1.22 0.00 -0.06 0.00 2.00 0.00 0.00 36.73 39.89 2qbi h TYR 142 CO 0.04 0.00 -2.33 -0.40 -0.00 0.00 0.00 178.16 175.48 2qbi n ASP 143 N -3.05 1.29 -2.61 3.88 5.75 -1.26 -4.35 116.55 116.21 2qbi n ASP 143 Ca 0.17 -0.01 -0.32 0.00 -0.01 0.00 0.00 54.79 54.63 2qbi n ASP 143 Cb 1.40 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 41.48 2qbi n ASP 143 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2qbi n LYS 144 N -3.11 2.51 0.00 0.11 5.02 0.36 -4.91 118.16 118.14 2qbi n LYS 144 Ca -0.38 -2.79 0.00 0.00 -2.02 0.00 0.00 58.31 53.12 2qbi n LYS 144 Cb 1.06 -2.17 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 2qbi n LYS 144 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 2qbi n VAL 145 N 0.22 0.00 -4.18 -0.18 0.24 -0.87 -4.69 118.33 108.87 2qbi n VAL 145 Ca 0.50 0.00 -0.28 0.00 -2.04 0.00 0.00 64.34 62.53 2qbi n VAL 145 Cb 0.44 -0.56 -0.08 0.00 -1.47 0.00 0.00 33.84 32.17 2qbi n VAL 145 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2qbi s ASP 146 N -0.73 4.82 -0.28 -1.34 3.68 -1.26 -5.05 116.67 116.50 2qbi s ASP 146 Ca 0.00 -0.32 -0.39 0.00 2.13 0.00 0.00 52.55 53.97 2qbi s ASP 146 Cb 0.00 -1.06 -0.15 0.00 -1.45 0.00 0.00 42.92 40.27 2qbi s ASP 146 CO 0.00 0.12 1.84 -1.14 0.13 0.00 0.00 175.17 176.13 2qbi n ARG 147 N 0.17 1.20 0.00 4.34 0.00 -1.26 -4.74 116.66 116.37 2qbi n ARG 147 Ca -0.10 0.42 0.00 0.00 -0.00 0.00 0.00 57.85 58.17 2qbi n ARG 147 Cb 0.54 -2.19 0.00 0.00 0.00 0.00 0.00 32.46 30.81 2qbi n ARG 147 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 2qbi n VAL 148 N 5.13 0.00 0.00 5.15 0.24 -1.26 -5.02 118.33 122.57 2qbi n VAL 148 Ca 0.29 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.59 2qbi n VAL 148 Cb 0.15 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.52 2qbi n VAL 148 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2qbi n ARG 149 N 0.00 0.00 -0.59 7.34 5.12 -1.26 -5.01 116.66 122.25 2qbi n ARG 149 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2qbi n ARG 149 Cb 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.30 2qbi n ARG 149 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2qbi n GLY 150 N 0.00 -3.73 3.00 -0.13 0.00 -1.26 -4.77 105.19 98.30 2qbi n GLY 150 Ca 0.00 -0.90 -0.09 0.00 0.00 0.00 0.00 46.02 45.03 2qbi n GLY 150 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2qbi n LEU 151 N -0.59 0.00 -4.30 0.99 -0.00 -1.26 -4.74 117.00 107.10 2qbi n LEU 151 Ca 0.00 -2.20 -0.23 0.00 -0.00 0.00 0.00 56.01 53.58 2qbi n LEU 151 Cb 0.00 2.83 -0.12 0.00 -0.00 0.00 0.00 43.42 46.13 2qbi n LEU 151 CO 0.00 -0.66 -0.50 -1.81 -0.00 0.00 0.00 177.39 174.42 2qbi s ASP 152 N -2.73 2.55 -0.03 1.45 -0.00 -1.26 -2.34 116.67 114.30 2qbi s ASP 152 Ca 0.16 -0.74 -0.01 0.00 -0.00 0.00 0.00 52.55 51.97 2qbi s ASP 152 Cb -0.03 -0.14 0.03 0.00 -0.00 0.00 0.00 42.92 42.78 2qbi s ASP 152 CO 0.12 0.03 0.06 -0.63 -0.00 0.00 0.00 175.17 174.74 2qbi s ILE 153 N -1.43 -0.08 -0.25 0.77 1.01 -1.25 -1.60 121.20 118.37 2qbi s ILE 153 Ca 0.09 0.28 0.02 0.00 0.00 0.00 0.00 60.65 61.04 2qbi s ILE 153 Cb -0.09 -0.13 0.05 0.00 0.01 0.00 0.00 42.46 42.30 2qbi s ILE 153 CO 0.05 0.11 -0.12 -0.89 0.00 0.00 0.00 174.94 174.09 2qbi s THR 154 N 1.44 2.20 0.06 2.92 2.01 -1.26 -2.00 115.64 121.01 2qbi s THR 154 Ca -0.05 -1.48 -0.32 0.00 0.31 0.00 0.00 61.69 60.15 2qbi s THR 154 Cb -0.13 -2.22 -0.19 0.00 0.01 0.00 0.00 72.50 69.98 2qbi s THR 154 CO -0.03 0.08 1.58 0.40 -0.69 0.00 0.00 174.62 175.96 2qbi h ILE 155 N 6.58 0.35 -5.00 1.82 5.03 -1.23 -2.05 117.51 123.01 2qbi h ILE 155 Ca -0.25 -0.05 0.00 0.00 -0.12 0.00 0.00 64.86 64.44 2qbi h ILE 155 Cb 1.06 0.37 -0.06 0.00 -3.03 0.00 0.00 36.82 35.16 2qbi h ILE 155 CO 0.50 0.01 -1.25 0.41 -0.68 0.00 0.00 178.15 177.14 2qbi n THR 156 N -5.45-12.20 -4.07 -0.27 -1.04 -1.19 -4.01 114.28 86.05 2qbi n THR 156 Ca -0.13 2.24 -0.23 0.00 -2.04 0.00 0.00 64.05 63.89 2qbi n THR 156 Cb 0.36 -6.68 -0.04 0.00 -1.82 0.00 0.00 70.33 62.15 2qbi n THR 156 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2qbi s THR 157 N -1.15 4.67 -0.81 12.58 -1.32 -1.26 -2.95 115.64 125.40 2qbi s THR 157 Ca -0.13 -1.22 0.00 0.00 -1.21 0.00 0.00 61.69 59.12 2qbi s THR 157 Cb 0.01 -3.50 0.00 0.00 -1.51 0.00 0.00 72.50 67.50 2qbi s THR 157 CO 0.77 -0.29 0.49 0.35 -2.21 0.00 0.00 174.62 173.73 2qbi n THR 158 N -1.05 0.16 -2.03 5.08 -2.24 -1.19 -4.35 114.28 108.67 2qbi n THR 158 Ca -0.08 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.37 2qbi n THR 158 Cb 0.57 -0.51 0.01 0.00 -2.10 0.00 0.00 70.33 68.31 2qbi n THR 158 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2qbi s ALA 159 N -0.77 2.69 -0.12 6.98 0.00 -1.26 -4.78 121.76 124.49 2qbi s ALA 159 Ca 0.00 0.47 0.18 0.00 0.00 0.00 0.00 51.96 52.60 2qbi s ALA 159 Cb 0.00 -3.26 -0.18 0.00 0.00 0.00 0.00 23.12 19.68 2qbi s ALA 159 CO 0.00 -0.87 0.67 0.36 0.00 0.00 0.00 175.76 175.91 2qbi n LYS 160 N -2.00 0.64 -4.12 0.00 2.85 -1.18 -4.33 118.16 110.03 2qbi n LYS 160 Ca 0.09 0.14 -0.16 0.00 -1.05 0.00 0.00 58.31 57.33 2qbi n LYS 160 Cb 0.52 -1.73 -0.15 0.00 -0.65 0.00 0.00 35.03 33.03 2qbi n LYS 160 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2qbi s SER 161 N -5.59 0.56 0.52 -5.58 1.04 -0.94 -4.53 113.70 99.18 2qbi s SER 161 Ca -0.05 -0.08 0.33 0.00 0.48 0.00 0.00 55.95 56.64 2qbi s SER 161 Cb 0.09 -0.09 1.47 0.00 0.10 0.00 0.00 66.02 67.59 2qbi s SER 161 CO 0.83 0.04 1.79 -2.24 0.98 0.00 0.00 173.24 174.64 2qbi h ASP 162 N 6.18 0.08 0.32 7.02 2.03 -1.70 0.36 116.42 130.71 2qbi h ASP 162 Ca -0.29 0.02 -0.02 0.00 -0.73 0.00 0.00 57.03 56.01 2qbi h ASP 162 Cb 1.19 0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.70 2qbi h ASP 162 CO 0.50 0.01 -0.15 -0.08 -1.03 0.00 0.00 179.24 178.49 2qbi h GLU 163 N 0.07 -0.41 -0.06 4.15 4.81 -1.91 -0.33 114.58 120.90 2qbi h GLU 163 Ca 0.58 0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.85 2qbi h GLU 163 Cb 2.15 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 31.62 2qbi h GLU 163 CO -0.07 -0.25 0.12 0.93 -0.73 0.00 0.00 179.01 179.01 2qbi h GLU 164 N -0.45 0.00 0.00 1.92 5.08 -0.69 0.47 114.58 120.91 2qbi h GLU 164 Ca -0.04 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.20 2qbi h GLU 164 Cb 0.34 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 2qbi h GLU 164 CO 0.07 0.00 -0.56 0.78 -1.00 0.00 0.00 179.01 178.30 2qbi h GLY 165 N 0.00 0.00 0.92 -3.84 0.00 -0.29 -2.81 103.07 97.04 2qbi h GLY 165 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.34 2qbi h GLY 165 CO -0.00 0.00 -0.14 3.21 0.00 0.00 0.00 176.54 179.61 2qbi h ARG 166 N 0.00 -0.37 -0.18 4.80 3.08 0.57 -2.95 114.38 119.33 2qbi h ARG 166 Ca -0.01 0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.12 2qbi h ARG 166 Cb 1.04 0.08 -0.05 0.00 0.08 0.00 0.00 29.97 31.12 2qbi h ARG 166 CO 0.07 -0.18 -0.12 0.00 -1.07 0.00 0.00 179.97 178.67 2qbi h ALA 167 N 0.23 0.02 -2.17 0.04 0.00 -1.53 -3.26 119.26 112.58 2qbi h ALA 167 Ca -0.04 0.07 -0.43 0.00 0.00 0.00 0.00 54.91 54.51 2qbi h ALA 167 Cb 0.35 0.27 0.20 0.00 0.00 0.00 0.00 17.79 18.62 2qbi h ALA 167 CO 0.06 -0.55 0.03 -1.17 0.00 0.00 0.00 179.25 177.62 2qbi s LEU 168 N -10.44 0.72 0.00 0.00 1.98 -1.06 0.61 118.68 110.49 2qbi s LEU 168 Ca -0.14 1.33 0.00 0.00 -2.89 0.00 0.00 54.13 52.43 2qbi s LEU 168 Cb 0.11 -3.22 0.00 0.00 0.66 0.00 0.00 46.19 43.74 2qbi s LEU 168 CO 0.68 -4.15 0.00 0.18 -1.89 0.00 0.00 176.35 171.18 2qbi n LEU 169 N -4.86 0.00 0.27 -0.68 4.77 -1.26 -3.63 117.00 111.61 2qbi n LEU 169 Ca 0.04 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.15 2qbi n LEU 169 Cb 0.56 0.00 0.78 0.00 -2.33 0.00 0.00 43.42 42.43 2qbi n LEU 169 CO 0.56 0.00 1.02 0.00 -1.33 0.00 0.00 177.39 177.64 2qbi h ALA 170 N 0.00 1.35 0.00 -1.18 0.00 -1.59 0.18 119.26 118.02 2qbi h ALA 170 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2qbi h ALA 170 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2qbi h ALA 170 CO 0.00 0.11 0.04 0.00 0.00 0.00 0.00 179.25 179.39 2qbi h ALA 171 N 1.91 1.04 -3.00 0.00 0.00 0.11 -3.41 119.26 115.90 2qbi h ALA 171 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qbi h ALA 171 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2qbi h ALA 171 CO 0.01 -0.04 0.00 1.19 0.00 0.00 0.00 179.25 180.42 2qbi n PHE 172 N -2.98 0.00 -1.27 0.00 3.72 0.64 -4.77 117.46 112.80 2qbi n PHE 172 Ca -0.03 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.13 2qbi n PHE 172 Cb 0.10 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.63 2qbi n PHE 172 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2qbi n ASP 173 N 0.00 6.58 -4.55 4.37 8.00 -1.26 -4.91 116.55 124.79 2qbi n ASP 173 Ca 0.00 -3.21 -0.43 0.00 0.71 0.00 0.00 54.79 51.86 2qbi n ASP 173 Cb 0.00 -1.15 -0.03 0.00 -0.02 0.00 0.00 41.12 39.92 2qbi n ASP 173 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2qbi s PHE 174 N -1.95 2.75 0.16 1.24 5.36 -1.21 -4.83 117.98 119.50 2qbi s PHE 174 Ca 0.49 0.23 -0.30 0.00 -0.96 0.00 0.00 56.93 56.38 2qbi s PHE 174 Cb 0.34 -4.22 -0.05 0.00 -0.34 0.00 0.00 43.02 38.75 2qbi s PHE 174 CO -0.13 -1.38 1.55 -1.00 -1.46 0.00 0.00 175.22 172.79 2qbi h PRO 175 N 9.34 -0.15 0.00 10.12 0.13 -1.90 -3.43 132.00 146.10 2qbi h PRO 175 Ca -0.25 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 2qbi h PRO 175 Cb 1.07 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2qbi h PRO 175 CO 1.11 -0.10 0.00 1.19 -0.23 0.00 0.00 178.00 179.97 2qbi n PHE 176 N -5.32 -1.10 -3.50 1.56 3.01 -1.26 -4.77 117.46 106.08 2qbi n PHE 176 Ca 0.01 0.00 -0.14 0.00 1.01 0.00 0.00 57.45 58.33 2qbi n PHE 176 Cb 0.31 0.17 -0.04 0.00 -0.01 0.00 0.00 39.48 39.91 2qbi n PHE 176 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 2qbi s ARG 177 N 0.00 1.15 0.00 -1.08 6.06 0.97 -0.55 118.95 125.50 2qbi s ARG 177 Ca 0.00 -0.24 0.00 0.00 -2.50 0.00 0.00 55.73 52.99 2qbi s ARG 177 Cb 0.00 0.53 0.00 0.00 0.06 0.00 0.00 34.95 35.54 2qbi s ARG 177 CO 0.00 -0.45 0.42 1.17 -2.50 0.00 0.00 175.30 173.94