#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbi n ARG 2 N 0.00 1.08 -2.28 0.00 0.63 -1.26 -4.90 116.66 109.94 2qbi n ARG 2 Ca 0.00 0.14 -0.38 0.00 -0.92 0.00 0.00 57.85 56.68 2qbi n ARG 2 Cb 0.00 -3.02 -0.02 0.00 0.45 0.00 0.00 32.46 29.87 2qbi n ARG 2 CO 0.00 0.00 0.00 0.08 -2.51 0.00 0.00 177.63 175.20 2qbi s VAL 3 N 10.41 3.11 0.10 5.15 1.01 -1.26 -4.97 120.40 133.96 2qbi s VAL 3 Ca 1.05 0.94 -0.21 0.00 0.00 0.00 0.00 61.98 63.76 2qbi s VAL 3 Cb -0.44 -3.53 -0.05 0.00 0.00 0.00 0.00 36.38 32.35 2qbi s VAL 3 CO 0.34 0.09 1.36 0.11 0.00 0.00 0.00 175.10 177.01 2qbi h LYS 4 N 2.67 -0.07 -6.19 2.72 1.57 -2.08 -3.45 116.57 111.73 2qbi h LYS 4 Ca -0.49 0.01 -0.45 0.00 -1.87 0.00 0.00 60.65 57.85 2qbi h LYS 4 Cb 1.23 0.02 0.01 0.00 0.08 0.00 0.00 32.23 33.57 2qbi h LYS 4 CO 0.63 -0.05 -0.77 -2.13 -0.57 0.00 0.00 179.45 176.56 2qbi n ARG 5 N -4.51 -5.66 0.00 3.15 0.63 -1.26 -4.92 116.66 104.09 2qbi n ARG 5 Ca 0.00 0.63 0.00 0.00 -0.92 0.00 0.00 57.85 57.57 2qbi n ARG 5 Cb 0.19 -5.46 0.00 0.00 0.45 0.00 0.00 32.46 27.64 2qbi n ARG 5 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2qbi n GLY 6 N -1.69 1.08 0.32 5.14 0.00 -1.26 -4.76 105.19 104.02 2qbi n GLY 6 Ca -0.06 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.09 2qbi n GLY 6 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2qbi h VAL 7 N 0.00 0.15 -0.96 1.61 -1.51 -1.96 0.42 116.25 114.00 2qbi h VAL 7 Ca 0.00 -0.03 0.29 0.00 -1.23 0.00 0.00 66.70 65.74 2qbi h VAL 7 Cb 0.00 0.07 -0.15 0.00 -2.13 0.00 0.00 31.29 29.08 2qbi h VAL 7 CO 0.00 0.01 0.44 -0.29 -1.23 0.00 0.00 177.57 176.50 2qbi h ILE 8 N 0.08 0.28 0.03 7.19 6.09 -1.98 0.54 117.51 129.74 2qbi h ILE 8 Ca 0.56 -0.09 -0.00 0.00 -1.37 0.00 0.00 64.86 63.96 2qbi h ILE 8 Cb 1.15 -0.00 0.00 0.00 0.47 0.00 0.00 36.82 38.44 2qbi h ILE 8 CO -0.80 0.05 -0.01 0.00 -3.07 0.00 0.00 178.15 174.31 2qbi h ALA 9 N 1.84 -0.53 0.00 0.18 0.00 -0.46 -3.13 119.26 117.16 2qbi h ALA 9 Ca 0.67 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.58 2qbi h ALA 9 Cb 1.49 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2qbi h ALA 9 CO -0.64 -0.53 0.00 2.89 0.00 0.00 0.00 179.25 180.97 2qbi n ARG 10 N -2.19 0.21 -0.10 0.00 1.85 -1.01 -1.85 116.66 113.57 2qbi n ARG 10 Ca -0.01 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.69 2qbi n ARG 10 Cb 0.02 -1.08 -0.06 0.00 -1.05 0.00 0.00 32.46 30.29 2qbi n ARG 10 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2qbi n ALA 11 N 0.16 0.90 0.29 2.89 0.00 0.15 -3.36 120.51 121.54 2qbi n ALA 11 Ca 0.00 -0.81 0.16 0.00 0.00 0.00 0.00 53.44 52.79 2qbi n ALA 11 Cb 0.04 0.01 0.64 0.00 0.00 0.00 0.00 19.45 20.13 2qbi n ALA 11 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2qbi h ARG 12 N -1.00 0.00 0.36 0.00 0.11 -1.35 -2.03 114.38 110.47 2qbi h ARG 12 Ca -0.23 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.83 2qbi h ARG 12 Cb 1.13 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.21 2qbi h ARG 12 CO -0.14 0.00 -0.17 0.45 0.10 0.00 0.00 179.97 180.20 2qbi h HIS 13 N 0.00 -0.45 -0.63 4.08 3.86 -1.54 -2.50 115.15 117.96 2qbi h HIS 13 Ca 0.00 -0.01 0.17 0.00 -1.16 0.00 0.00 60.37 59.37 2qbi h HIS 13 Cb 0.53 0.15 -0.03 0.00 1.06 0.00 0.00 27.41 29.12 2qbi h HIS 13 CO 0.00 -0.28 0.45 -0.22 0.86 0.00 0.00 177.93 178.73 2qbi h LYS 14 N -0.67 0.06 0.00 2.45 3.64 -1.54 0.36 116.57 120.87 2qbi h LYS 14 Ca -0.05 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.33 2qbi h LYS 14 Cb 0.37 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 2qbi h LYS 14 CO 0.08 0.04 0.00 1.17 -2.27 0.00 0.00 179.45 178.47 2qbi n LYS 15 N -4.38 0.00 -0.32 1.90 0.00 -0.77 -2.47 118.16 112.12 2qbi n LYS 15 Ca 0.12 0.20 0.19 0.00 0.00 0.00 0.00 58.31 58.82 2qbi n LYS 15 Cb 0.66 -1.14 0.40 0.00 0.00 0.00 0.00 35.03 34.95 2qbi n LYS 15 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 2qbi h ILE 16 N 0.00 0.31 0.00 3.15 5.03 -1.12 -0.23 117.51 124.66 2qbi h ILE 16 Ca 0.00 -0.10 -0.11 0.00 -0.12 0.00 0.00 64.86 64.53 2qbi h ILE 16 Cb 0.00 -0.00 -0.04 0.00 -3.03 0.00 0.00 36.82 33.75 2qbi h ILE 16 CO 0.00 0.05 -0.04 -0.11 -0.68 0.00 0.00 178.15 177.37 2qbi n LEU 17 N -5.11 3.20 0.00 1.44 7.94 0.12 -1.52 117.00 123.07 2qbi n LEU 17 Ca 0.28 -2.09 0.00 0.00 -1.11 0.00 0.00 56.01 53.09 2qbi n LEU 17 Cb 0.86 -0.85 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2qbi n LEU 17 CO 0.08 0.83 0.00 1.17 -1.11 0.00 0.00 177.39 178.36 2qbi n LYS 18 N 2.63 0.00 0.00 1.96 4.81 -0.10 -4.80 118.16 122.66 2qbi n LYS 18 Ca 0.25 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.69 2qbi n LYS 18 Cb 0.54 -0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.59 2qbi n LYS 18 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 2qbi n GLN 19 N -1.39 0.53 0.00 1.64 6.02 -0.57 -1.36 117.38 122.25 2qbi n GLN 19 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2qbi n GLN 19 Cb 0.00 -1.06 0.00 0.00 1.02 0.00 0.00 30.24 30.20 2qbi n GLN 19 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2qbi n ALA 20 N -0.33 1.93 -1.21 -1.58 0.00 -1.23 -4.71 120.51 113.38 2qbi n ALA 20 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 53.44 52.90 2qbi n ALA 20 Cb 0.03 0.15 -0.10 0.00 0.00 0.00 0.00 19.45 19.54 2qbi n ALA 20 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2qbi n LYS 21 N -1.75 0.00 0.00 0.00 4.76 -0.46 -1.51 118.16 119.20 2qbi n LYS 21 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2qbi n LYS 21 Cb 0.30 -1.28 0.00 0.00 -1.84 0.00 0.00 35.03 32.21 2qbi n LYS 21 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qbi n GLY 22 N 5.41 1.38 3.78 0.72 0.00 -1.26 -5.08 105.19 110.14 2qbi n GLY 22 Ca 0.40 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 46.03 2qbi n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qbi s TYR 23 N -0.79 3.88 0.86 1.61 4.12 -0.57 -5.06 117.35 121.41 2qbi s TYR 23 Ca 0.00 1.69 -0.12 0.00 0.02 0.00 0.00 57.07 58.66 2qbi s TYR 23 Cb 0.00 -2.82 0.11 0.00 -1.52 0.00 0.00 41.96 37.73 2qbi s TYR 23 CO 0.00 0.45 1.10 -0.47 0.02 0.00 0.00 175.55 176.65 2qbi s TYR 24 N -1.25 2.53 0.03 2.71 5.04 -1.26 -3.72 117.35 121.43 2qbi s TYR 24 Ca 0.39 1.17 0.00 0.00 -2.44 0.00 0.00 57.07 56.19 2qbi s TYR 24 Cb -0.23 -3.17 0.00 0.00 0.35 0.00 0.00 41.96 38.91 2qbi s TYR 24 CO 0.27 -2.17 0.00 0.41 -1.34 0.00 0.00 175.55 172.72 2qbi n GLY 25 N -1.60 -1.17 0.00 8.97 0.00 -1.26 -3.00 105.19 107.12 2qbi n GLY 25 Ca 0.07 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 45.02 2qbi n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbi n ALA 26 N -0.20 0.71 0.11 4.61 0.00 -1.26 -2.19 120.51 122.29 2qbi n ALA 26 Ca 0.00 0.00 0.20 0.00 0.00 0.00 0.00 53.44 53.64 2qbi n ALA 26 Cb 0.05 -0.70 0.74 0.00 0.00 0.00 0.00 19.45 19.55 2qbi n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbi h ARG 27 N 0.00 0.00 0.00 0.00 3.08 -1.79 0.35 114.38 116.02 2qbi h ARG 27 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2qbi h ARG 27 Cb 0.29 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.34 2qbi h ARG 27 CO 0.00 0.00 0.00 0.43 -1.07 0.00 0.00 179.97 179.33 2qbi n SER 28 N -3.60 1.09 -0.01 7.04 7.64 -0.93 -3.97 113.62 120.89 2qbi n SER 28 Ca 0.07 -1.51 -0.01 0.00 1.01 0.00 0.00 58.87 58.43 2qbi n SER 28 Cb 0.62 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.81 2qbi n SER 28 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2qbi n ARG 29 N -0.26 1.04 -0.02 1.43 1.74 -0.41 -4.83 116.66 115.36 2qbi n ARG 29 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2qbi n ARG 29 Cb 0.33 -1.02 0.00 0.00 -1.02 0.00 0.00 32.46 30.74 2qbi n ARG 29 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 2qbi n VAL 30 N -2.40 0.00 0.00 1.55 3.14 0.11 -5.03 118.33 115.70 2qbi n VAL 30 Ca -0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.36 2qbi n VAL 30 Cb 0.52 -1.04 0.00 0.00 -1.06 0.00 0.00 33.84 32.27 2qbi n VAL 30 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2qbi n TYR 31 N -0.02 0.00 -0.34 1.45 9.36 -1.26 -4.46 117.16 121.90 2qbi n TYR 31 Ca 0.00 0.00 0.28 0.00 3.32 0.00 0.00 57.90 61.50 2qbi n TYR 31 Cb 0.00 0.11 0.60 0.00 -0.63 0.00 0.00 39.34 39.42 2qbi n TYR 31 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2qbi h ARG 32 N 0.00 0.23 0.03 2.98 3.08 -1.99 0.21 114.38 118.93 2qbi h ARG 32 Ca 0.00 -0.01 -0.38 0.00 0.07 0.00 0.00 59.98 59.65 2qbi h ARG 32 Cb 0.37 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.31 2qbi h ARG 32 CO 0.00 0.15 -2.35 1.33 -1.07 0.00 0.00 179.97 178.03 2qbi n VAL 33 N -4.49 1.57 -0.19 2.04 0.24 -1.26 -3.53 118.33 112.71 2qbi n VAL 33 Ca 0.27 -0.59 0.28 0.00 -2.04 0.00 0.00 64.34 62.26 2qbi n VAL 33 Cb 1.05 -1.50 0.72 0.00 -1.47 0.00 0.00 33.84 32.64 2qbi n VAL 33 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qbi h ALA 34 N 0.02 2.83 0.07 2.33 0.00 -1.43 0.73 119.26 123.82 2qbi h ALA 34 Ca -0.54 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.34 2qbi h ALA 34 Cb 1.94 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.79 2qbi h ALA 34 CO -0.04 -1.10 -0.03 0.35 0.00 0.00 0.00 179.25 178.43 2qbi h PHE 35 N 0.02 -0.08 0.00 0.00 3.04 -0.79 -2.40 116.94 116.73 2qbi h PHE 35 Ca 0.43 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.38 2qbi h PHE 35 Cb 1.71 0.03 0.00 0.00 2.56 0.00 0.00 35.95 40.25 2qbi h PHE 35 CO -0.00 0.49 0.00 1.04 -2.02 0.00 0.00 178.31 177.82 2qbi n GLN 36 N -4.80 0.28 0.00 1.11 6.02 0.13 -2.34 117.38 117.78 2qbi n GLN 36 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.91 2qbi n GLN 36 Cb 0.30 -1.14 0.00 0.00 1.02 0.00 0.00 30.24 30.42 2qbi n GLN 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2qbi n ALA 37 N -0.64 0.00 -0.23 -1.58 0.00 0.21 -4.21 120.51 114.06 2qbi n ALA 37 Ca 0.02 -0.18 -0.04 0.00 0.00 0.00 0.00 53.44 53.24 2qbi n ALA 37 Cb 0.01 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.48 2qbi n ALA 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qbi h VAL 38 N 0.00 0.16 -0.97 0.00 2.07 -1.34 0.38 116.25 116.56 2qbi h VAL 38 Ca 0.00 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.62 2qbi h VAL 38 Cb 0.00 0.16 -0.12 0.00 -1.52 0.00 0.00 31.29 29.80 2qbi h VAL 38 CO 0.00 0.00 -0.52 -0.38 0.02 0.00 0.00 177.57 176.69 2qbi n ILE 39 N -5.45 -0.62 0.06 4.57 2.08 -0.99 -0.04 119.36 118.97 2qbi n ILE 39 Ca 0.06 2.32 -0.14 0.00 0.56 0.00 0.00 62.75 65.54 2qbi n ILE 39 Cb 0.36 -2.91 -0.08 0.00 -0.75 0.00 0.00 39.64 36.26 2qbi n ILE 39 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 2qbi h LYS 40 N 0.00 -0.59 -0.67 0.38 1.79 -1.11 -1.59 116.57 114.77 2qbi h LYS 40 Ca 0.20 0.04 0.14 0.00 -2.18 0.00 0.00 60.65 58.85 2qbi h LYS 40 Cb 0.44 0.13 -0.11 0.00 -1.58 0.00 0.00 32.23 31.11 2qbi h LYS 40 CO -0.92 -0.40 0.06 0.00 -1.08 0.00 0.00 179.45 177.11 2qbi h ALA 41 N -0.19 0.73 -0.65 3.86 0.00 -0.24 0.70 119.26 123.48 2qbi h ALA 41 Ca 0.04 0.19 0.19 0.00 0.00 0.00 0.00 54.91 55.32 2qbi h ALA 41 Cb 0.69 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 2qbi h ALA 41 CO -0.34 -0.38 0.47 0.78 0.00 0.00 0.00 179.25 179.79 2qbi h GLY 42 N 0.16 0.00 0.00 0.00 0.00 0.50 0.15 103.07 103.88 2qbi h GLY 42 Ca 0.36 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.67 2qbi h GLY 42 CO -0.54 0.00 -0.13 1.46 0.00 0.00 0.00 176.54 177.33 2qbi h GLN 43 N 0.00 0.00 0.03 4.80 4.20 0.87 -3.13 115.11 121.87 2qbi h GLN 43 Ca 0.31 0.00 0.02 0.00 0.06 0.00 0.00 58.65 59.04 2qbi h GLN 43 Cb 1.25 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 28.98 2qbi h GLN 43 CO -0.00 0.61 -0.49 1.88 -0.67 0.00 0.00 178.83 180.16 2qbi h TYR 44 N -1.00 -1.43 -0.32 2.96 0.99 0.01 0.78 116.97 118.96 2qbi h TYR 44 Ca -0.03 0.04 0.04 0.00 2.00 0.00 0.00 58.73 60.78 2qbi h TYR 44 Cb 0.66 0.62 -0.06 0.00 1.00 0.00 0.00 36.73 38.95 2qbi h TYR 44 CO 0.15 -0.53 -0.42 0.00 -0.00 0.00 0.00 178.16 177.35 2qbi h ALA 45 N -0.55 -0.66 -0.99 3.88 0.00 -0.92 1.06 119.26 121.08 2qbi h ALA 45 Ca 0.01 0.00 0.31 0.00 0.00 0.00 0.00 54.91 55.23 2qbi h ALA 45 Cb 0.67 1.03 -0.15 0.00 0.00 0.00 0.00 17.79 19.34 2qbi h ALA 45 CO -0.31 -0.86 0.52 -0.92 0.00 0.00 0.00 179.25 177.68 2qbi h TYR 46 N -0.29 0.85 0.34 0.00 3.20 -1.43 1.49 116.97 121.13 2qbi h TYR 46 Ca 0.06 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 2qbi h TYR 46 Cb 0.44 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.50 2qbi h TYR 46 CO -0.71 -0.18 -0.16 -0.09 -1.64 0.00 0.00 178.16 175.38 2qbi h ARG 47 N 0.31 -0.44 0.00 1.82 2.43 0.22 -3.18 114.38 115.53 2qbi h ARG 47 Ca 0.71 0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.90 2qbi h ARG 47 Cb 1.60 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 31.25 2qbi h ARG 47 CO -0.62 -0.12 -0.03 -0.44 -1.51 0.00 0.00 179.97 177.25 2qbi h ASP 48 N -0.94 0.00 -0.78 -3.80 3.45 0.27 -2.28 116.42 112.34 2qbi h ASP 48 Ca -0.05 0.00 0.13 0.00 0.43 0.00 0.00 57.03 57.54 2qbi h ASP 48 Cb 0.52 0.00 -0.09 0.00 -0.56 0.00 0.00 39.33 39.21 2qbi h ASP 48 CO 0.08 0.03 0.37 -0.09 -1.57 0.00 0.00 179.24 178.06 2qbi h ARG 49 N 0.00 0.56 0.00 3.56 9.65 0.20 0.23 114.38 128.57 2qbi h ARG 49 Ca -0.00 -0.03 -0.07 0.00 -1.10 0.00 0.00 59.98 58.78 2qbi h ARG 49 Cb 0.21 -0.13 -0.01 0.00 -1.39 0.00 0.00 29.97 28.66 2qbi h ARG 49 CO 0.00 0.37 -0.47 0.00 2.80 0.00 0.00 179.97 182.68 2qbi h ARG 50 N 0.57 0.00 -0.04 0.20 -0.00 -1.52 -3.27 114.38 110.31 2qbi h ARG 50 Ca 0.41 0.00 -0.13 0.00 -0.50 0.00 0.00 59.98 59.76 2qbi h ARG 50 Cb 0.55 0.00 -0.01 0.00 0.00 0.00 0.00 29.97 30.51 2qbi h ARG 50 CO -0.34 0.28 -0.58 1.96 0.00 0.00 0.00 179.97 181.29 2qbi h GLN 51 N 0.00 0.14 -0.43 0.04 4.20 -0.55 -3.12 115.11 115.38 2qbi h GLN 51 Ca -0.02 -0.09 0.02 0.00 0.06 0.00 0.00 58.65 58.63 2qbi h GLN 51 Cb 1.25 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 29.01 2qbi h GLN 51 CO 0.04 0.68 0.24 -0.09 -0.67 0.00 0.00 178.83 179.02 2qbi h ARG 52 N 0.10 0.47 0.00 1.46 2.43 -0.78 0.29 114.38 118.36 2qbi h ARG 52 Ca -0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2qbi h ARG 52 Cb 1.05 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.50 2qbi h ARG 52 CO 0.08 0.31 0.00 1.63 -1.51 0.00 0.00 179.97 180.48 2qbi n LYS 53 N -4.87 0.24 0.01 0.20 5.02 -1.18 -2.73 118.16 114.85 2qbi n LYS 53 Ca 0.02 0.00 -0.03 0.00 -2.02 0.00 0.00 58.31 56.28 2qbi n LYS 53 Cb 0.08 -1.25 -0.01 0.00 -0.02 0.00 0.00 35.03 33.83 2qbi n LYS 53 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qbi n ARG 54 N -0.75 0.12 0.23 1.97 1.74 0.70 -4.36 116.66 116.30 2qbi n ARG 54 Ca 0.03 0.05 0.14 0.00 -0.77 0.00 0.00 57.85 57.30 2qbi n ARG 54 Cb 0.01 -0.70 0.57 0.00 -1.02 0.00 0.00 32.46 31.32 2qbi n ARG 54 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2qbi h GLN 55 N -0.21 0.00 0.01 5.56 4.20 -0.45 0.26 115.11 124.48 2qbi h GLN 55 Ca -0.03 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.33 2qbi h GLN 55 Cb 0.41 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.13 2qbi h GLN 55 CO -0.02 0.00 -2.15 1.19 -0.67 0.00 0.00 178.83 177.18 2qbi n PHE 56 N -3.00 0.45 0.05 2.96 0.99 -1.13 -3.35 117.46 114.44 2qbi n PHE 56 Ca 0.03 0.14 -0.13 0.00 -0.00 0.00 0.00 57.45 57.49 2qbi n PHE 56 Cb 0.70 -1.08 -0.09 0.00 -1.00 0.00 0.00 39.48 38.02 2qbi n PHE 56 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.76 176.67 2qbi h ARG 57 N 0.01 -0.13 0.00 -1.08 2.43 -0.76 0.94 114.38 115.78 2qbi h ARG 57 Ca -0.46 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.72 2qbi h ARG 57 Cb 2.10 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.68 2qbi h ARG 57 CO 0.03 0.20 0.00 1.04 -1.51 0.00 0.00 179.97 179.74 2qbi n GLN 58 N -4.99 0.06 -0.09 0.20 6.02 -0.31 -1.89 117.38 116.38 2qbi n GLN 58 Ca -0.09 0.26 -0.13 0.00 -0.01 0.00 0.00 57.00 57.04 2qbi n GLN 58 Cb 0.21 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.91 2qbi n GLN 58 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2qbi n LEU 59 N -1.41 1.85 0.20 1.08 -0.00 -0.52 -3.41 117.00 114.78 2qbi n LEU 59 Ca 0.04 0.52 -0.17 0.00 -0.00 0.00 0.00 56.01 56.39 2qbi n LEU 59 Cb 0.11 -0.89 -0.10 0.00 -0.00 0.00 0.00 43.42 42.54 2qbi n LEU 59 CO 0.09 -0.12 0.52 -0.50 -0.00 0.00 0.00 177.39 177.38 2qbi h TRP 60 N -1.00 -1.46 -0.81 1.96 6.55 0.11 -1.67 115.95 119.63 2qbi h TRP 60 Ca -0.17 0.03 0.17 0.00 0.95 0.00 0.00 58.89 59.87 2qbi h TRP 60 Cb 0.90 0.60 -0.15 0.00 -0.86 0.00 0.00 29.16 29.65 2qbi h TRP 60 CO -0.12 -0.63 -0.14 0.82 -1.05 0.00 0.00 178.44 177.32 2qbi h ILE 61 N -0.87 0.21 -0.72 1.49 2.04 -1.60 0.50 117.51 118.56 2qbi h ILE 61 Ca -0.03 -0.01 0.13 0.00 1.00 0.00 0.00 64.86 65.95 2qbi h ILE 61 Cb 0.81 0.18 -0.13 0.00 -0.74 0.00 0.00 36.82 36.94 2qbi h ILE 61 CO -0.18 0.00 -0.31 0.00 0.00 0.00 0.00 178.15 177.66 2qbi h ALA 62 N 1.80 0.14 0.01 1.87 0.00 -1.33 0.30 119.26 122.05 2qbi h ALA 62 Ca 0.41 0.22 -0.23 0.00 0.00 0.00 0.00 54.91 55.32 2qbi h ALA 62 Cb 0.67 0.78 0.00 0.00 0.00 0.00 0.00 17.79 19.25 2qbi h ALA 62 CO -0.81 -0.60 -0.96 0.07 0.00 0.00 0.00 179.25 176.96 2qbi h ARG 63 N -0.09 0.36 0.23 0.00 0.11 -0.59 -2.62 114.38 111.78 2qbi h ARG 63 Ca 0.29 -0.41 0.00 0.00 0.10 0.00 0.00 59.98 59.97 2qbi h ARG 63 Cb 0.57 0.12 -0.04 0.00 1.11 0.00 0.00 29.97 31.73 2qbi h ARG 63 CO -0.77 1.09 -0.48 0.82 0.10 0.00 0.00 179.97 180.73 2qbi h ILE 64 N 0.20 0.00 -0.81 0.08 1.08 0.22 1.13 117.51 119.40 2qbi h ILE 64 Ca -0.08 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.46 2qbi h ILE 64 Cb 1.60 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 35.29 2qbi h ILE 64 CO 0.16 0.00 0.48 -1.13 -0.69 0.00 0.00 178.15 176.98 2qbi h ASN 65 N -0.77 0.74 -0.64 1.72 -1.24 -0.63 -0.57 115.58 114.20 2qbi h ASN 65 Ca -0.02 0.02 0.04 0.00 0.71 0.00 0.00 56.30 57.05 2qbi h ASN 65 Cb 0.73 -0.13 -0.05 0.00 0.73 0.00 0.00 38.32 39.61 2qbi h ASN 65 CO -0.19 0.47 0.37 0.00 -1.29 0.00 0.00 177.43 176.79 2qbi h ALA 66 N 1.40 0.84 0.84 1.57 0.00 -0.88 0.61 119.26 123.64 2qbi h ALA 66 Ca 0.36 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 2qbi h ALA 66 Cb 0.21 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 17.84 2qbi h ALA 66 CO -0.19 0.09 -0.40 0.00 0.00 0.00 0.00 179.25 178.75 2qbi h ALA 67 N 1.30 -1.16 -0.46 0.00 0.00 0.24 -1.39 119.26 117.79 2qbi h ALA 67 Ca 0.27 -0.25 0.13 0.00 0.00 0.00 0.00 54.91 55.07 2qbi h ALA 67 Cb 0.09 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2qbi h ALA 67 CO -0.14 -1.08 0.34 0.00 0.00 0.00 0.00 179.25 178.37 2qbi h ALA 68 N -1.35 2.41 -0.09 0.00 0.00 -1.01 0.64 119.26 119.87 2qbi h ALA 68 Ca -0.12 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 2qbi h ALA 68 Cb 0.86 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2qbi h ALA 68 CO 0.19 -0.57 -0.24 -0.09 0.00 0.00 0.00 179.25 178.54 2qbi h ARG 69 N 0.00 0.16 -0.07 0.00 9.65 0.67 -1.55 114.38 123.24 2qbi h ARG 69 Ca 0.22 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 59.05 2qbi h ARG 69 Cb 0.89 -0.02 -0.00 0.00 -1.39 0.00 0.00 29.97 29.45 2qbi h ARG 69 CO -0.00 0.40 0.03 0.37 2.80 0.00 0.00 179.97 183.56 2qbi h GLN 70 N 0.15 0.09 0.00 0.20 5.75 0.14 -3.42 115.11 118.02 2qbi h GLN 70 Ca 0.02 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.52 2qbi h GLN 70 Cb 0.51 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.04 2qbi h GLN 70 CO 0.04 0.08 0.00 0.09 -2.65 0.00 0.00 178.83 176.38 2qbi n ASN 71 N -4.51 0.00 -0.29 -0.69 4.13 -0.59 -5.02 115.26 108.29 2qbi n ASN 71 Ca -0.02 0.00 0.07 0.00 1.68 0.00 0.00 54.58 56.31 2qbi n ASN 71 Cb 0.10 0.00 0.13 0.00 -1.54 0.00 0.00 39.78 38.47 2qbi n ASN 71 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2qbi n GLY 72 N 5.00 4.02 3.24 7.41 0.00 -1.25 -5.02 105.19 118.59 2qbi n GLY 72 Ca 0.00 -0.76 -0.20 0.00 0.00 0.00 0.00 46.02 45.06 2qbi n GLY 72 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2qbi s ILE 73 N -2.21 1.40 0.12 -0.61 1.10 -1.18 -5.08 121.20 114.75 2qbi s ILE 73 Ca 0.26 -1.56 0.05 0.00 -0.51 0.00 0.00 60.65 58.88 2qbi s ILE 73 Cb 0.21 -1.42 -0.04 0.00 0.15 0.00 0.00 42.46 41.36 2qbi s ILE 73 CO 0.05 -0.26 0.08 -0.94 -2.11 0.00 0.00 174.94 171.76 2qbi s SER 74 N -2.11 5.35 0.12 4.50 1.04 -1.26 -2.91 113.70 118.43 2qbi s SER 74 Ca 0.05 -0.12 -0.24 0.00 0.48 0.00 0.00 55.95 56.12 2qbi s SER 74 Cb -0.08 -1.37 -0.05 0.00 0.10 0.00 0.00 66.02 64.62 2qbi s SER 74 CO 0.03 0.13 1.32 0.00 0.98 0.00 0.00 173.24 175.70 2qbi n TYR 75 N 0.12 -0.33 0.00 5.02 9.36 -1.26 0.83 117.16 130.90 2qbi n TYR 75 Ca -0.09 0.95 0.00 0.00 3.32 0.00 0.00 57.90 62.08 2qbi n TYR 75 Cb 0.53 -0.55 0.00 0.00 -0.63 0.00 0.00 39.34 38.69 2qbi n TYR 75 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 2qbi n SER 76 N -4.77 0.00 0.23 2.98 7.64 -1.26 -0.63 113.62 117.81 2qbi n SER 76 Ca 0.02 0.41 0.07 0.00 1.01 0.00 0.00 58.87 60.38 2qbi n SER 76 Cb 0.20 -0.04 0.56 0.00 -1.01 0.00 0.00 64.21 63.91 2qbi n SER 76 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2qbi h LYS 77 N 0.00 0.00 0.00 1.43 1.57 -1.91 -1.71 116.57 115.95 2qbi h LYS 77 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2qbi h LYS 77 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2qbi h LYS 77 CO 0.00 0.17 0.00 0.34 -0.57 0.00 0.00 179.45 179.39 2qbi n PHE 78 N -4.14 0.00 -0.07 -1.35 -0.00 0.24 0.12 117.46 112.27 2qbi n PHE 78 Ca -0.02 0.00 0.20 0.00 -0.00 0.00 0.00 57.45 57.63 2qbi n PHE 78 Cb 0.25 -0.35 0.65 0.00 -0.00 0.00 0.00 39.48 40.02 2qbi n PHE 78 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 176.76 177.73 2qbi h ILE 79 N 0.00 0.73 -0.09 -2.13 -0.00 -0.90 0.34 117.51 115.46 2qbi h ILE 79 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 64.86 64.83 2qbi h ILE 79 Cb 0.00 0.61 -0.01 0.00 -0.00 0.00 0.00 36.82 37.42 2qbi h ILE 79 CO 0.00 0.02 0.05 -1.13 -0.00 0.00 0.00 178.15 177.09 2qbi h ASN 80 N 0.11 0.09 0.11 2.19 -0.00 -0.64 0.66 115.58 118.09 2qbi h ASN 80 Ca 0.31 0.00 -0.01 0.00 -0.00 0.00 0.00 56.30 56.60 2qbi h ASN 80 Cb 1.06 -0.02 0.00 0.00 -0.00 0.00 0.00 38.32 39.36 2qbi h ASN 80 CO -0.04 0.07 -0.05 1.23 -0.00 0.00 0.00 177.43 178.64 2qbi h GLY 81 N 0.11 -0.15 -0.32 1.57 0.00 0.46 0.45 103.07 105.18 2qbi h GLY 81 Ca 0.04 0.06 0.24 0.00 0.00 0.00 0.00 47.33 47.67 2qbi h GLY 81 CO -0.02 -0.06 0.39 1.41 0.00 0.00 0.00 176.54 178.27 2qbi h LEU 82 N -0.33 0.29 0.69 3.11 3.38 -0.35 0.84 115.31 122.94 2qbi h LEU 82 Ca -0.02 0.17 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 2qbi h LEU 82 Cb 0.27 0.17 0.01 0.00 0.09 0.00 0.00 40.66 41.19 2qbi h LEU 82 CO 0.02 -0.06 -0.33 0.50 0.09 0.00 0.00 178.44 178.66 2qbi h LYS 83 N 0.34 -0.90 -0.35 1.13 1.63 0.12 -3.23 116.57 115.31 2qbi h LYS 83 Ca 0.59 0.06 0.04 0.00 -0.85 0.00 0.00 60.65 60.49 2qbi h LYS 83 Cb 1.19 0.20 -0.05 0.00 -0.60 0.00 0.00 32.23 32.97 2qbi h LYS 83 CO -0.57 -0.60 -0.32 0.87 -3.45 0.00 0.00 179.45 175.37 2qbi h LYS 84 N -1.02 -0.14 -5.69 1.90 1.57 0.25 -3.16 116.57 110.29 2qbi h LYS 84 Ca -0.10 0.01 -0.60 0.00 -1.87 0.00 0.00 60.65 58.10 2qbi h LYS 84 Cb 0.72 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 33.03 2qbi h LYS 84 CO 0.16 -0.09 1.53 0.00 -0.57 0.00 0.00 179.45 180.48 2qbi n ALA 85 N -3.00 0.77 -0.01 3.86 0.00 0.26 -4.20 120.51 118.19 2qbi n ALA 85 Ca -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.16 2qbi n ALA 85 Cb 0.18 -2.58 0.00 0.00 0.00 0.00 0.00 19.45 17.04 2qbi n ALA 85 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2qbi n SER 86 N 11.05 0.00 0.00 0.00 7.64 -1.26 -4.09 113.62 126.96 2qbi n SER 86 Ca 0.47 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.35 2qbi n SER 86 Cb 0.23 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 2qbi n SER 86 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2qbi n VAL 87 N 0.02 0.00 -2.39 0.44 0.31 -1.19 -4.88 118.33 110.64 2qbi n VAL 87 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 2qbi n VAL 87 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 2qbi n VAL 87 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2qbi n GLU 88 N 0.00 -4.28 0.00 5.55 0.00 -1.26 -4.21 120.64 116.44 2qbi n GLU 88 Ca 0.00 3.24 0.00 0.00 0.00 0.00 0.00 57.16 60.40 2qbi n GLU 88 Cb 0.00 -4.53 0.00 0.00 0.00 0.00 0.00 31.44 26.91 2qbi n GLU 88 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 2qbi n ILE 89 N 1.55 0.00 -0.53 6.31 2.08 -1.26 -4.76 119.36 122.75 2qbi n ILE 89 Ca -0.28 0.15 0.00 0.00 0.56 0.00 0.00 62.75 63.19 2qbi n ILE 89 Cb 0.43 -0.31 0.00 0.00 -0.75 0.00 0.00 39.64 39.00 2qbi n ILE 89 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 2qbi n ASP 90 N -0.45 0.00 -0.41 4.38 9.92 -1.26 -4.81 116.55 123.93 2qbi n ASP 90 Ca 0.00 0.00 0.03 0.00 -0.53 0.00 0.00 54.79 54.29 2qbi n ASP 90 Cb 0.00 -1.76 -0.01 0.00 -0.64 0.00 0.00 41.12 38.71 2qbi n ASP 90 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 2qbi n ARG 91 N -2.00 -0.41 -0.00 -1.24 0.63 -1.26 -1.42 116.66 110.96 2qbi n ARG 91 Ca 0.00 0.27 0.07 0.00 -0.92 0.00 0.00 57.85 57.27 2qbi n ARG 91 Cb 0.00 -0.50 -0.09 0.00 0.45 0.00 0.00 32.46 32.32 2qbi n ARG 91 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2qbi n LYS 92 N -1.13 1.66 -0.11 -0.14 5.02 -1.26 -3.65 118.16 118.54 2qbi n LYS 92 Ca 0.00 -0.03 -0.24 0.00 -2.02 0.00 0.00 58.31 56.03 2qbi n LYS 92 Cb 0.09 -1.25 -0.11 0.00 -0.02 0.00 0.00 35.03 33.74 2qbi n LYS 92 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 2qbi n ILE 93 N -1.50 1.55 0.32 -0.18 3.06 -1.26 -4.01 119.36 117.33 2qbi n ILE 93 Ca 0.02 -0.45 0.11 0.00 -2.50 0.00 0.00 62.75 59.93 2qbi n ILE 93 Cb 0.27 -1.71 0.48 0.00 0.54 0.00 0.00 39.64 39.22 2qbi n ILE 93 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 2qbi n LEU 94 N -3.81 0.55 -0.21 9.51 7.99 -1.20 -0.75 117.00 129.08 2qbi n LEU 94 Ca -0.46 0.67 0.00 0.00 -0.01 0.00 0.00 56.01 56.21 2qbi n LEU 94 Cb 0.92 -0.64 0.01 0.00 -0.11 0.00 0.00 43.42 43.60 2qbi n LEU 94 CO 0.18 -0.64 0.42 0.00 -1.51 0.00 0.00 177.39 175.84 2qbi n ALA 95 N -1.74 2.51 1.10 -1.18 0.00 -0.51 -3.04 120.51 117.64 2qbi n ALA 95 Ca 0.01 -0.04 0.13 0.00 0.00 0.00 0.00 53.44 53.54 2qbi n ALA 95 Cb 0.16 -1.00 0.62 0.00 0.00 0.00 0.00 19.45 19.23 2qbi n ALA 95 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2qbi n ASP 96 N -0.28 0.00 0.00 0.00 5.68 0.07 -3.02 116.55 119.00 2qbi n ASP 96 Ca 0.01 0.20 0.00 0.00 -0.50 0.00 0.00 54.79 54.50 2qbi n ASP 96 Cb 0.11 -0.39 0.02 0.00 -1.14 0.00 0.00 41.12 39.72 2qbi n ASP 96 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 2qbi n ILE 97 N -1.39 0.00 0.66 2.12 -5.35 -1.17 0.15 119.36 114.37 2qbi n ILE 97 Ca 0.10 0.00 0.11 0.00 -0.27 0.00 0.00 62.75 62.69 2qbi n ILE 97 Cb 0.26 -0.96 0.27 0.00 -1.74 0.00 0.00 39.64 37.47 2qbi n ILE 97 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2qbi n ALA 98 N -0.97 2.46 -0.06 -1.28 0.00 -1.17 -3.72 120.51 115.77 2qbi n ALA 98 Ca 0.01 -0.82 -0.11 0.00 0.00 0.00 0.00 53.44 52.52 2qbi n ALA 98 Cb 0.00 -0.95 -0.04 0.00 0.00 0.00 0.00 19.45 18.46 2qbi n ALA 98 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qbi n VAL 99 N 1.06 1.26 -4.09 0.00 0.31 0.38 -4.77 118.33 112.49 2qbi n VAL 99 Ca 0.18 0.05 -0.26 0.00 -0.01 0.00 0.00 64.34 64.31 2qbi n VAL 99 Cb 0.50 -1.96 -0.05 0.00 -0.91 0.00 0.00 33.84 31.42 2qbi n VAL 99 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 2qbi s PHE 100 N -2.50 3.14 -1.42 3.52 2.99 -1.19 -4.38 117.98 118.14 2qbi s PHE 100 Ca -0.21 -0.03 -0.05 0.00 0.00 0.00 0.00 56.93 56.64 2qbi s PHE 100 Cb 0.05 -1.50 0.03 0.00 0.00 0.00 0.00 43.02 41.61 2qbi s PHE 100 CO 0.30 0.52 0.70 -3.47 -0.00 0.00 0.00 175.22 173.27 2qbi n ASP 101 N -0.45 -1.99 0.00 1.36 4.64 -1.26 -4.45 116.55 114.41 2qbi n ASP 101 Ca -0.08 -0.88 0.23 0.00 -1.38 0.00 0.00 54.79 52.68 2qbi n ASP 101 Cb 0.55 -3.64 0.69 0.00 -1.04 0.00 0.00 41.12 37.68 2qbi n ASP 101 CO 0.00 0.00 0.00 0.50 -0.82 0.00 0.00 177.20 176.88 2qbi h LYS 102 N -1.88 0.00 -0.32 -0.67 3.64 -1.76 0.87 116.57 116.45 2qbi h LYS 102 Ca -0.61 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 58.80 2qbi h LYS 102 Cb 1.37 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.16 2qbi h LYS 102 CO 0.62 0.00 0.14 0.28 -2.27 0.00 0.00 179.45 178.22 2qbi h VAL 103 N 0.00 0.95 -2.81 2.00 2.07 -1.85 -3.35 116.25 113.27 2qbi h VAL 103 Ca 0.28 -0.10 -0.37 0.00 0.82 0.00 0.00 66.70 67.33 2qbi h VAL 103 Cb 1.52 0.64 0.21 0.00 -1.52 0.00 0.00 31.29 32.13 2qbi h VAL 103 CO -0.00 0.05 -0.21 0.00 0.02 0.00 0.00 177.57 177.43 2qbi n ALA 104 N -2.27 -3.98 0.00 1.67 0.00 0.30 -2.82 120.51 113.41 2qbi n ALA 104 Ca -0.00 -1.60 0.00 0.00 0.00 0.00 0.00 53.44 51.84 2qbi n ALA 104 Cb 0.09 -1.60 0.00 0.00 0.00 0.00 0.00 19.45 17.95 2qbi n ALA 104 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2qbi n PHE 105 N -5.36 0.00 -0.27 0.00 -0.00 -1.26 -4.24 117.46 106.34 2qbi n PHE 105 Ca 0.09 0.00 0.28 0.00 -0.00 0.00 0.00 57.45 57.82 2qbi n PHE 105 Cb 0.55 0.00 0.66 0.00 -0.00 0.00 0.00 39.48 40.70 2qbi n PHE 105 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 2qbi h THR 106 N 0.00 0.51 -0.01 -2.13 2.02 -1.66 0.93 112.91 112.57 2qbi h THR 106 Ca 0.00 -0.05 -0.01 0.00 0.77 0.00 0.00 66.41 67.13 2qbi h THR 106 Cb 0.00 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 66.77 2qbi h THR 106 CO 0.00 0.02 -0.03 0.00 0.37 0.00 0.00 175.52 175.89 2qbi h ALA 107 N 1.53 0.02 -0.81 6.16 0.00 -1.73 -3.03 119.26 121.39 2qbi h ALA 107 Ca 0.52 -0.31 0.19 0.00 0.00 0.00 0.00 54.91 55.31 2qbi h ALA 107 Cb 1.79 -0.00 -0.13 0.00 0.00 0.00 0.00 17.79 19.46 2qbi h ALA 107 CO -0.09 -0.16 0.20 -0.07 0.00 0.00 0.00 179.25 179.13 2qbi h LEU 108 N -0.56 -0.00 -0.79 0.00 3.38 0.32 0.36 115.31 118.02 2qbi h LEU 108 Ca -0.00 0.17 0.15 0.00 0.09 0.00 0.00 57.88 58.29 2qbi h LEU 108 Cb 0.64 0.23 -0.15 0.00 0.09 0.00 0.00 40.66 41.47 2qbi h LEU 108 CO 0.01 -0.09 -0.24 0.58 0.09 0.00 0.00 178.44 178.78 2qbi h VAL 109 N 0.24 0.17 -0.31 1.22 2.07 -0.22 0.32 116.25 119.75 2qbi h VAL 109 Ca 0.48 0.00 0.04 0.00 0.82 0.00 0.00 66.70 68.04 2qbi h VAL 109 Cb 0.89 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.79 2qbi h VAL 109 CO -0.59 0.00 0.08 -0.33 0.02 0.00 0.00 177.57 176.76 2qbi h GLU 110 N -0.03 0.20 -0.54 1.57 3.07 -0.28 -1.49 114.58 117.09 2qbi h GLU 110 Ca 0.36 -0.01 0.06 0.00 -0.50 0.00 0.00 59.36 59.27 2qbi h GLU 110 Cb 0.59 -0.04 -0.09 0.00 -0.84 0.00 0.00 28.75 28.36 2qbi h GLU 110 CO -0.83 0.13 -0.54 -0.22 -1.40 0.00 0.00 179.01 176.16 2qbi h LYS 111 N 0.20 -0.29 0.47 2.33 1.63 0.05 0.39 116.57 121.35 2qbi h LYS 111 Ca 0.14 0.02 -0.01 0.00 -0.85 0.00 0.00 60.65 59.95 2qbi h LYS 111 Cb 0.13 0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.81 2qbi h LYS 111 CO -0.16 -0.19 -0.44 0.00 -3.45 0.00 0.00 179.45 175.21 2qbi h ALA 112 N 0.19 -0.98 -0.97 5.00 0.00 -1.16 -1.40 119.26 119.94 2qbi h ALA 112 Ca 0.11 -0.16 0.32 0.00 0.00 0.00 0.00 54.91 55.18 2qbi h ALA 112 Cb 0.56 0.62 -0.16 0.00 0.00 0.00 0.00 17.79 18.81 2qbi h ALA 112 CO -0.67 -1.09 0.38 0.87 0.00 0.00 0.00 179.25 178.74 2qbi h LYS 113 N -0.91 0.14 0.80 0.00 1.57 -0.33 0.69 116.57 118.53 2qbi h LYS 113 Ca -0.05 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.68 2qbi h LYS 113 Cb 0.79 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 33.08 2qbi h LYS 113 CO -0.05 0.09 -0.38 0.00 -0.57 0.00 0.00 179.45 178.54 2qbi h ALA 114 N 1.90 -1.09 -0.26 3.86 0.00 0.46 -1.77 119.26 122.37 2qbi h ALA 114 Ca 0.70 -0.23 0.08 0.00 0.00 0.00 0.00 54.91 55.45 2qbi h ALA 114 Cb 1.62 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 19.82 2qbi h ALA 114 CO -0.73 -1.01 0.21 0.00 0.00 0.00 0.00 179.25 177.72 2qbi h ALA 115 N -1.31 2.14 0.00 0.00 0.00 -0.03 0.65 119.26 120.72 2qbi h ALA 115 Ca -0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2qbi h ALA 115 Cb 0.82 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.63 2qbi h ALA 115 CO 0.18 -0.35 0.00 1.28 0.00 0.00 0.00 179.25 180.36 2qbi n LEU 116 N -4.26 0.49 -0.59 0.00 4.77 0.22 -4.88 117.00 112.76 2qbi n LEU 116 Ca 0.03 0.57 0.14 0.00 -0.03 0.00 0.00 56.01 56.72 2qbi n LEU 116 Cb 0.36 -0.45 0.43 0.00 -2.33 0.00 0.00 43.42 41.43 2qbi n LEU 116 CO 0.33 -0.26 0.82 0.00 -1.33 0.00 0.00 177.39 176.95