#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qbc s ARG 2 N 0.00 2.71 0.38 0.00 3.52 -1.26 -4.93 118.95 119.38 2qbc s ARG 2 Ca 0.00 1.60 -0.26 0.00 -0.13 0.00 0.00 55.73 56.94 2qbc s ARG 2 Cb 0.00 -4.44 -0.09 0.00 -1.56 0.00 0.00 34.95 28.87 2qbc s ARG 2 CO 0.00 -2.58 1.22 0.08 -0.81 0.00 0.00 175.30 173.20 2qbc s VAL 3 N 9.71 2.99 0.00 7.11 1.01 -1.26 -4.99 120.40 134.97 2qbc s VAL 3 Ca 0.94 0.88 0.00 0.00 0.00 0.00 0.00 61.98 63.80 2qbc s VAL 3 Cb -0.24 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.63 2qbc s VAL 3 CO 0.30 0.12 0.39 0.29 0.00 0.00 0.00 175.10 176.21 2qbc n LYS 4 N 0.29 0.00 -1.39 2.72 5.02 -1.26 -4.85 118.16 118.68 2qbc n LYS 4 Ca 0.03 0.39 -0.06 0.00 -2.02 0.00 0.00 58.31 56.66 2qbc n LYS 4 Cb 0.45 -0.81 -0.02 0.00 -0.02 0.00 0.00 35.03 34.63 2qbc n LYS 4 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qbc n ARG 5 N -0.87 -0.42 0.00 1.97 1.74 -1.26 -4.97 116.66 112.84 2qbc n ARG 5 Ca 0.00 0.60 0.00 0.00 -0.77 0.00 0.00 57.85 57.68 2qbc n ARG 5 Cb 0.00 -4.37 0.00 0.00 -1.02 0.00 0.00 32.46 27.07 2qbc n ARG 5 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qbc n GLY 6 N -1.97 0.05 0.29 -0.13 0.00 -1.26 -4.52 105.19 97.65 2qbc n GLY 6 Ca -0.06 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.05 2qbc n GLY 6 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2qbc h VAL 7 N 0.00 0.55 -1.06 1.61 -1.51 -1.96 0.21 116.25 114.08 2qbc h VAL 7 Ca 0.00 -0.13 0.28 0.00 -1.23 0.00 0.00 66.70 65.62 2qbc h VAL 7 Cb 0.00 0.12 -0.09 0.00 -2.13 0.00 0.00 31.29 29.19 2qbc h VAL 7 CO 0.00 0.07 0.69 -0.29 -1.23 0.00 0.00 177.57 176.81 2qbc h ILE 8 N 0.39 0.49 0.00 7.19 6.09 -1.99 -1.57 117.51 128.10 2qbc h ILE 8 Ca 0.48 -0.12 0.00 0.00 -1.37 0.00 0.00 64.86 63.85 2qbc h ILE 8 Cb 0.82 0.11 0.00 0.00 0.47 0.00 0.00 36.82 38.22 2qbc h ILE 8 CO -0.48 0.06 0.00 0.00 -3.07 0.00 0.00 178.15 174.66 2qbc n ALA 9 N -2.49 -0.14 0.14 0.18 0.00 0.72 -3.44 120.51 115.48 2qbc n ALA 9 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2qbc n ALA 9 Cb 0.93 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.38 2qbc n ALA 9 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2qbc n ARG 10 N -1.51 0.14 -0.09 0.00 1.85 -1.13 -2.19 116.66 113.73 2qbc n ARG 10 Ca 0.00 0.00 -0.10 0.00 -1.00 0.00 0.00 57.85 56.75 2qbc n ARG 10 Cb 0.00 -1.09 -0.04 0.00 -1.05 0.00 0.00 32.46 30.28 2qbc n ARG 10 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2qbc n ALA 11 N 0.46 0.70 0.47 2.89 0.00 -0.61 -3.10 120.51 121.32 2qbc n ALA 11 Ca 0.00 -0.62 0.12 0.00 0.00 0.00 0.00 53.44 52.93 2qbc n ALA 11 Cb 0.04 -0.04 0.46 0.00 0.00 0.00 0.00 19.45 19.91 2qbc n ALA 11 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2qbc n ARG 12 N -4.51 0.18 0.15 0.00 1.85 -0.93 -2.42 116.66 110.98 2qbc n ARG 12 Ca -0.17 0.35 -0.08 0.00 -1.00 0.00 0.00 57.85 56.96 2qbc n ARG 12 Cb 0.46 -1.81 -0.04 0.00 -1.05 0.00 0.00 32.46 30.02 2qbc n ARG 12 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2qbc h HIS 13 N 0.00 -0.43 -0.69 2.89 3.86 -1.68 -2.98 115.15 116.13 2qbc h HIS 13 Ca 0.00 -0.01 0.16 0.00 -1.16 0.00 0.00 60.37 59.36 2qbc h HIS 13 Cb 0.42 0.14 -0.04 0.00 1.06 0.00 0.00 27.41 29.00 2qbc h HIS 13 CO 0.00 -0.24 0.48 -0.22 0.86 0.00 0.00 177.93 178.81 2qbc h LYS 14 N -1.11 0.22 0.00 2.45 3.64 -1.46 0.95 116.57 121.25 2qbc h LYS 14 Ca -0.05 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2qbc h LYS 14 Cb 0.37 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 2qbc h LYS 14 CO 0.08 0.14 0.00 1.17 -2.27 0.00 0.00 179.45 178.57 2qbc n LYS 15 N -4.42 0.00 -0.31 1.90 4.81 -1.02 -2.75 118.16 116.37 2qbc n LYS 15 Ca 0.13 0.33 0.04 0.00 -0.87 0.00 0.00 58.31 57.94 2qbc n LYS 15 Cb 0.61 -1.27 0.11 0.00 0.02 0.00 0.00 35.03 34.50 2qbc n LYS 15 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 2qbc h ILE 16 N 0.00 0.13 0.00 3.15 5.03 -1.31 0.14 117.51 124.65 2qbc h ILE 16 Ca 0.00 -0.00 -0.09 0.00 -0.12 0.00 0.00 64.86 64.65 2qbc h ILE 16 Cb 0.00 0.13 -0.03 0.00 -3.03 0.00 0.00 36.82 33.89 2qbc h ILE 16 CO 0.00 0.00 0.02 -0.11 -0.68 0.00 0.00 178.15 177.38 2qbc n LEU 17 N -5.56 2.83 0.00 1.44 7.94 0.30 -1.46 117.00 122.49 2qbc n LEU 17 Ca 0.13 -1.84 0.00 0.00 -1.11 0.00 0.00 56.01 53.19 2qbc n LEU 17 Cb 0.44 -0.74 0.00 0.00 0.53 0.00 0.00 43.42 43.65 2qbc n LEU 17 CO -0.06 0.66 0.00 1.17 -1.11 0.00 0.00 177.39 178.05 2qbc n LYS 18 N 2.58 0.00 0.00 1.96 4.81 0.45 -4.81 118.16 123.15 2qbc n LYS 18 Ca 0.20 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.70 2qbc n LYS 18 Cb 0.46 -0.05 0.39 0.00 0.02 0.00 0.00 35.03 35.84 2qbc n LYS 18 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 2qbc n GLN 19 N -1.59 0.69 -0.00 1.64 6.02 -0.53 -1.70 117.38 121.90 2qbc n GLN 19 Ca 0.00 0.00 0.06 0.00 -0.01 0.00 0.00 57.00 57.05 2qbc n GLN 19 Cb 0.00 -1.30 -0.09 0.00 1.02 0.00 0.00 30.24 29.87 2qbc n GLN 19 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2qbc n ALA 20 N -0.80 2.65 -1.70 -1.58 0.00 -1.16 -4.85 120.51 113.08 2qbc n ALA 20 Ca 0.10 -0.30 -0.57 0.00 0.00 0.00 0.00 53.44 52.67 2qbc n ALA 20 Cb 0.04 -0.43 -0.07 0.00 0.00 0.00 0.00 19.45 19.00 2qbc n ALA 20 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2qbc n LYS 21 N -1.82 1.19 0.00 0.00 4.76 -0.69 -1.75 118.16 119.86 2qbc n LYS 21 Ca -0.02 0.44 0.00 0.00 -2.87 0.00 0.00 58.31 55.86 2qbc n LYS 21 Cb 0.30 -2.12 0.00 0.00 -1.84 0.00 0.00 35.03 31.37 2qbc n LYS 21 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qbc n GLY 22 N 4.04 1.80 3.86 0.72 0.00 -1.26 -5.08 105.19 109.28 2qbc n GLY 22 Ca 0.26 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.96 2qbc n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qbc s TYR 23 N -1.83 3.43 0.55 1.61 4.12 -0.72 -5.08 117.35 119.43 2qbc s TYR 23 Ca 0.00 1.13 -0.07 0.00 0.02 0.00 0.00 57.07 58.14 2qbc s TYR 23 Cb 0.00 -2.49 -0.03 0.00 -1.52 0.00 0.00 41.96 37.92 2qbc s TYR 23 CO 0.00 -0.04 0.89 -0.47 0.02 0.00 0.00 175.55 175.94 2qbc s TYR 24 N -2.24 3.54 0.00 2.71 5.04 -1.26 -4.29 117.35 120.85 2qbc s TYR 24 Ca 0.53 0.95 0.00 0.00 -2.44 0.00 0.00 57.07 56.10 2qbc s TYR 24 Cb -0.10 -2.51 0.00 0.00 0.35 0.00 0.00 41.96 39.70 2qbc s TYR 24 CO 0.26 -0.51 0.00 0.41 -1.34 0.00 0.00 175.55 174.37 2qbc n GLY 25 N -2.48 -0.58 0.14 8.97 0.00 -1.26 -2.84 105.19 107.14 2qbc n GLY 25 Ca 0.03 -0.98 0.05 0.00 0.00 0.00 0.00 46.02 45.12 2qbc n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qbc n ALA 26 N 0.45 0.61 0.27 4.61 0.00 -1.26 -2.25 120.51 122.94 2qbc n ALA 26 Ca 0.00 0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.66 2qbc n ALA 26 Cb 0.00 -0.75 0.53 0.00 0.00 0.00 0.00 19.45 19.23 2qbc n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qbc h ARG 27 N 0.00 0.00 0.00 0.00 3.08 -1.79 0.69 114.38 116.36 2qbc h ARG 27 Ca 0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2qbc h ARG 27 Cb 0.57 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.59 2qbc h ARG 27 CO 0.00 0.00 -0.30 0.43 -1.07 0.00 0.00 179.97 179.03 2qbc n SER 28 N -2.88 1.52 0.01 7.04 7.64 -0.95 -3.96 113.62 122.03 2qbc n SER 28 Ca 0.02 -2.84 0.00 0.00 1.01 0.00 0.00 58.87 57.05 2qbc n SER 28 Cb 0.69 -0.37 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 2qbc n SER 28 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2qbc n ARG 29 N -0.85 0.00 -2.97 1.43 1.74 0.19 -4.87 116.66 111.34 2qbc n ARG 29 Ca 0.11 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.76 2qbc n ARG 29 Cb 0.71 -0.02 -0.05 0.00 -1.02 0.00 0.00 32.46 32.08 2qbc n ARG 29 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2qbc s VAL 30 N -2.00 4.63 0.22 1.55 1.01 0.16 -4.94 120.40 121.03 2qbc s VAL 30 Ca 0.00 0.29 -0.10 0.00 0.00 0.00 0.00 61.98 62.17 2qbc s VAL 30 Cb 0.00 -4.36 0.22 0.00 0.00 0.00 0.00 36.38 32.24 2qbc s VAL 30 CO 0.00 -0.80 1.65 0.22 0.00 0.00 0.00 175.10 176.17 2qbc h TYR 31 N 9.04 -0.09 -1.16 5.22 3.20 -1.94 0.36 116.97 131.60 2qbc h TYR 31 Ca -0.25 0.05 0.37 0.00 3.14 0.00 0.00 58.73 62.04 2qbc h TYR 31 Cb 1.08 0.14 -0.13 0.00 1.54 0.00 0.00 36.73 39.36 2qbc h TYR 31 CO 0.81 -0.20 0.72 0.00 -1.64 0.00 0.00 178.16 177.86 2qbc h ARG 32 N 0.10 0.20 0.00 1.82 3.08 -1.93 0.62 114.38 118.26 2qbc h ARG 32 Ca 0.34 -0.01 -0.35 0.00 0.07 0.00 0.00 59.98 60.02 2qbc h ARG 32 Cb 0.55 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.49 2qbc h ARG 32 CO -0.57 0.13 -2.21 1.33 -1.07 0.00 0.00 179.97 177.58 2qbc n VAL 33 N -4.81 1.47 0.29 2.04 0.24 -0.25 -3.37 118.33 113.95 2qbc n VAL 33 Ca 0.34 -0.81 0.16 0.00 -2.04 0.00 0.00 64.34 61.98 2qbc n VAL 33 Cb 1.20 -0.73 0.90 0.00 -1.47 0.00 0.00 33.84 33.74 2qbc n VAL 33 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qbc h ALA 34 N 0.88 1.33 0.00 2.33 0.00 0.22 0.22 119.26 124.24 2qbc h ALA 34 Ca -0.48 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 2qbc h ALA 34 Cb 2.15 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.93 2qbc h ALA 34 CO 0.03 0.05 -0.22 0.35 0.00 0.00 0.00 179.25 179.47 2qbc h PHE 35 N 0.00 0.00 0.00 0.00 -0.00 -0.03 -2.49 116.94 114.42 2qbc h PHE 35 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.97 57.97 2qbc h PHE 35 Cb 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 35.95 36.08 2qbc h PHE 35 CO 0.00 1.01 0.00 1.04 -0.00 0.00 0.00 178.31 180.36 2qbc n GLN 36 N -4.59 0.12 -0.09 1.11 6.02 -0.72 -2.22 117.38 117.00 2qbc n GLN 36 Ca -0.13 0.15 -0.12 0.00 -0.01 0.00 0.00 57.00 56.89 2qbc n GLN 36 Cb 0.48 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 30.20 2qbc n GLN 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2qbc n ALA 37 N -1.18 0.72 0.11 -1.58 0.00 0.69 -4.13 120.51 115.14 2qbc n ALA 37 Ca 0.03 -0.63 -0.16 0.00 0.00 0.00 0.00 53.44 52.68 2qbc n ALA 37 Cb 0.04 -0.06 -0.10 0.00 0.00 0.00 0.00 19.45 19.33 2qbc n ALA 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qbc h VAL 38 N -1.00 0.00 -0.68 0.00 2.07 -0.98 -1.56 116.25 114.11 2qbc h VAL 38 Ca -0.14 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.44 2qbc h VAL 38 Cb 0.91 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.60 2qbc h VAL 38 CO -0.09 0.00 -0.40 -0.38 0.02 0.00 0.00 177.57 176.72 2qbc n ILE 39 N -5.37 -0.46 0.06 4.57 2.08 -0.94 -0.16 119.36 119.14 2qbc n ILE 39 Ca -0.08 1.75 -0.15 0.00 0.56 0.00 0.00 62.75 64.83 2qbc n ILE 39 Cb 0.40 -2.17 -0.08 0.00 -0.75 0.00 0.00 39.64 37.04 2qbc n ILE 39 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 2qbc h LYS 40 N 0.00 -0.61 -1.03 0.38 1.79 -1.60 -0.62 116.57 114.89 2qbc h LYS 40 Ca 0.11 0.04 0.29 0.00 -2.18 0.00 0.00 60.65 58.91 2qbc h LYS 40 Cb 0.28 0.14 -0.13 0.00 -1.58 0.00 0.00 32.23 30.94 2qbc h LYS 40 CO -0.64 -0.41 0.61 0.00 -1.08 0.00 0.00 179.45 177.93 2qbc h ALA 41 N -0.23 1.97 -0.68 3.86 0.00 0.45 0.85 119.26 125.47 2qbc h ALA 41 Ca 0.03 0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 2qbc h ALA 41 Cb 0.70 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 2qbc h ALA 41 CO -0.34 -0.50 0.28 0.78 0.00 0.00 0.00 179.25 179.47 2qbc h GLY 42 N 0.43 1.06 0.25 0.00 0.00 0.76 -1.14 103.07 104.43 2qbc h GLY 42 Ca 0.68 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 2qbc h GLY 42 CO -0.50 0.52 -0.08 1.46 0.00 0.00 0.00 176.54 177.93 2qbc h GLN 43 N 0.97 -0.22 -1.22 4.80 4.20 0.11 -1.45 115.11 122.30 2qbc h GLN 43 Ca 0.23 0.02 0.35 0.00 0.06 0.00 0.00 58.65 59.31 2qbc h GLN 43 Cb 0.17 0.05 -0.06 0.00 0.30 0.00 0.00 27.48 27.95 2qbc h GLN 43 CO -0.02 0.10 0.87 1.88 -0.67 0.00 0.00 178.83 180.99 2qbc h TYR 44 N -0.98 0.08 0.03 2.96 0.99 -0.37 0.41 116.97 120.10 2qbc h TYR 44 Ca -0.02 0.00 -0.00 0.00 2.00 0.00 0.00 58.73 60.71 2qbc h TYR 44 Cb 0.42 -0.02 0.00 0.00 1.00 0.00 0.00 36.73 38.13 2qbc h TYR 44 CO 0.06 0.00 -0.01 0.00 -0.00 0.00 0.00 178.16 178.21 2qbc h ALA 45 N 1.41 -0.09 -1.46 3.88 0.00 -1.21 -1.48 119.26 120.30 2qbc h ALA 45 Ca 0.60 -0.01 0.42 0.00 0.00 0.00 0.00 54.91 55.92 2qbc h ALA 45 Cb 2.28 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 20.03 2qbc h ALA 45 CO -0.05 -0.08 1.09 -0.92 0.00 0.00 0.00 179.25 179.28 2qbc h TYR 46 N -0.39 0.00 0.07 0.00 3.20 -0.52 0.84 116.97 120.17 2qbc h TYR 46 Ca -0.00 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.86 2qbc h TYR 46 Cb 0.03 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.30 2qbc h TYR 46 CO 0.01 0.00 -0.03 -0.09 -1.64 0.00 0.00 178.16 176.41 2qbc h ARG 47 N 0.00 -0.08 0.00 1.82 2.43 -0.28 -3.29 114.38 114.97 2qbc h ARG 47 Ca 0.69 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.87 2qbc h ARG 47 Cb 2.86 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 32.43 2qbc h ARG 47 CO -0.01 0.39 0.00 -0.25 -1.51 0.00 0.00 179.97 178.59 2qbc n ASP 48 N -4.78 0.19 0.25 -3.80 10.43 0.63 -2.25 116.55 117.21 2qbc n ASP 48 Ca -0.06 0.55 0.07 0.00 2.57 0.00 0.00 54.79 57.92 2qbc n ASP 48 Cb 0.25 -0.59 0.59 0.00 1.84 0.00 0.00 41.12 43.21 2qbc n ASP 48 CO 0.00 0.00 0.00 -0.09 -1.07 0.00 0.00 177.20 176.04 2qbc h ARG 49 N 0.00 0.00 0.00 -1.24 9.65 0.47 -1.71 114.38 121.55 2qbc h ARG 49 Ca 0.00 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.85 2qbc h ARG 49 Cb 0.26 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.84 2qbc h ARG 49 CO 0.00 0.09 -1.77 0.54 2.80 0.00 0.00 179.97 181.63 2qbc n ARG 50 N -4.38 0.65 0.01 0.20 3.00 -0.95 -4.28 116.66 110.90 2qbc n ARG 50 Ca -0.03 -0.09 -0.07 0.00 -0.01 0.00 0.00 57.85 57.65 2qbc n ARG 50 Cb 0.16 -1.60 0.11 0.00 0.00 0.00 0.00 32.46 31.13 2qbc n ARG 50 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 2qbc h GLN 51 N 0.00 0.52 -0.85 5.56 4.20 -1.30 -3.02 115.11 120.22 2qbc h GLN 51 Ca -0.04 -0.27 0.07 0.00 0.06 0.00 0.00 58.65 58.47 2qbc h GLN 51 Cb 1.11 0.01 -0.07 0.00 0.30 0.00 0.00 27.48 28.83 2qbc h GLN 51 CO 0.00 0.86 0.52 -0.09 -0.67 0.00 0.00 178.83 179.45 2qbc h ARG 52 N 0.42 0.89 -0.41 1.46 2.43 -1.55 0.21 114.38 117.84 2qbc h ARG 52 Ca 0.03 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 2qbc h ARG 52 Cb 0.93 -0.20 0.00 0.00 -0.42 0.00 0.00 29.97 30.28 2qbc h ARG 52 CO 0.08 0.59 0.00 1.63 -1.51 0.00 0.00 179.97 180.76 2qbc n LYS 53 N -4.66 0.51 0.00 0.20 5.02 -1.14 -2.51 118.16 115.58 2qbc n LYS 53 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.42 2qbc n LYS 53 Cb 0.21 -1.20 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 2qbc n LYS 53 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qbc n ARG 54 N 0.09 0.00 0.22 1.97 1.74 0.58 -4.59 116.66 116.68 2qbc n ARG 54 Ca 0.00 0.00 0.15 0.00 -0.77 0.00 0.00 57.85 57.23 2qbc n ARG 54 Cb 0.10 -0.41 0.81 0.00 -1.02 0.00 0.00 32.46 31.94 2qbc n ARG 54 CO 0.00 0.00 0.00 1.96 -1.52 0.00 0.00 177.63 178.07 2qbc h GLN 55 N 0.00 0.00 0.08 5.56 4.20 -0.84 -1.19 115.11 122.92 2qbc h GLN 55 Ca 0.00 0.00 -0.36 0.00 0.06 0.00 0.00 58.65 58.35 2qbc h GLN 55 Cb 0.48 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 2qbc h GLN 55 CO 0.00 0.00 -2.07 1.19 -0.67 0.00 0.00 178.83 177.28 2qbc n PHE 56 N -3.99 0.92 0.27 2.96 0.99 -1.14 -3.09 117.46 114.37 2qbc n PHE 56 Ca 0.00 0.21 -0.16 0.00 -0.00 0.00 0.00 57.45 57.51 2qbc n PHE 56 Cb 0.25 -1.13 -0.08 0.00 -1.00 0.00 0.00 39.48 37.52 2qbc n PHE 56 CO 0.00 0.00 0.00 -0.09 -0.00 0.00 0.00 176.76 176.67 2qbc h ARG 57 N 0.04 -0.62 0.00 -1.08 2.43 -1.72 1.12 114.38 114.55 2qbc h ARG 57 Ca -0.44 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 2qbc h ARG 57 Cb 2.02 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 31.71 2qbc h ARG 57 CO 0.05 -0.37 0.00 1.96 -1.51 0.00 0.00 179.97 180.10 2qbc h GLN 58 N -0.74 0.00 0.00 0.20 4.20 -1.43 -1.52 115.11 115.83 2qbc h GLN 58 Ca -0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.64 2qbc h GLN 58 Cb 0.54 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.32 2qbc h GLN 58 CO 0.11 0.00 -0.16 1.25 -0.67 0.00 0.00 178.83 179.36 2qbc h LEU 59 N 0.00 0.00 -0.39 1.46 7.12 -0.98 -2.92 115.31 119.60 2qbc h LEU 59 Ca 0.00 0.00 0.08 0.00 0.13 0.00 0.00 57.88 58.09 2qbc h LEU 59 Cb 0.11 0.00 -0.09 0.00 -0.53 0.00 0.00 40.66 40.15 2qbc h LEU 59 CO 0.00 0.49 -0.29 -0.50 -0.13 0.00 0.00 178.44 178.01 2qbc h TRP 60 N -0.81 -0.78 -0.94 1.25 6.55 0.14 0.52 115.95 121.87 2qbc h TRP 60 Ca 0.00 0.05 0.20 0.00 0.95 0.00 0.00 58.89 60.09 2qbc h TRP 60 Cb 0.16 0.40 -0.08 0.00 -0.86 0.00 0.00 29.16 28.78 2qbc h TRP 60 CO -0.07 -0.36 0.61 0.82 -1.05 0.00 0.00 178.44 178.39 2qbc h ILE 61 N -0.22 0.69 -0.69 1.49 2.04 -1.46 0.77 117.51 120.13 2qbc h ILE 61 Ca 0.18 -0.18 0.02 0.00 1.00 0.00 0.00 64.86 65.88 2qbc h ILE 61 Cb 0.51 0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 36.67 2qbc h ILE 61 CO -0.52 0.10 0.46 0.00 0.00 0.00 0.00 178.15 178.18 2qbc h ALA 62 N 1.62 1.57 0.08 1.87 0.00 0.24 -2.05 119.26 122.58 2qbc h ALA 62 Ca 0.51 -0.04 -0.35 0.00 0.00 0.00 0.00 54.91 55.03 2qbc h ALA 62 Cb 1.09 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 2qbc h ALA 62 CO -0.24 0.37 -1.96 2.89 0.00 0.00 0.00 179.25 180.31 2qbc n ARG 63 N -4.45 0.70 -0.19 0.00 1.85 0.61 -3.03 116.66 112.14 2qbc n ARG 63 Ca 0.08 0.31 -0.03 0.00 -1.00 0.00 0.00 57.85 57.21 2qbc n ARG 63 Cb 0.09 -1.68 0.03 0.00 -1.05 0.00 0.00 32.46 29.86 2qbc n ARG 63 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 177.63 178.44 2qbc h ILE 64 N -0.21 0.28 -0.51 8.89 1.08 0.46 1.25 117.51 128.74 2qbc h ILE 64 Ca -0.45 0.00 -0.08 0.00 -0.39 0.00 0.00 64.86 63.94 2qbc h ILE 64 Cb 1.85 0.28 -0.02 0.00 -3.07 0.00 0.00 36.82 35.86 2qbc h ILE 64 CO -0.03 0.00 0.00 -1.13 -0.69 0.00 0.00 178.15 176.31 2qbc h ASN 65 N -0.09 0.89 -0.99 1.72 -1.24 -1.56 0.34 115.58 114.65 2qbc h ASN 65 Ca 0.26 -0.31 0.07 0.00 0.71 0.00 0.00 56.30 57.04 2qbc h ASN 65 Cb 0.51 -0.24 -0.07 0.00 0.73 0.00 0.00 38.32 39.25 2qbc h ASN 65 CO -0.65 0.98 0.64 0.00 -1.29 0.00 0.00 177.43 177.11 2qbc h ALA 66 N 0.94 1.44 0.13 1.57 0.00 -0.36 0.54 119.26 123.53 2qbc h ALA 66 Ca 0.15 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2qbc h ALA 66 Cb 0.52 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2qbc h ALA 66 CO 0.03 0.40 -0.06 0.00 0.00 0.00 0.00 179.25 179.61 2qbc h ALA 67 N 1.48 -0.17 -0.27 0.00 0.00 0.16 -3.05 119.26 117.41 2qbc h ALA 67 Ca 0.43 -0.21 0.08 0.00 0.00 0.00 0.00 54.91 55.21 2qbc h ALA 67 Cb 0.22 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2qbc h ALA 67 CO -0.18 -0.21 0.32 0.00 0.00 0.00 0.00 179.25 179.18 2qbc h ALA 68 N -0.48 1.90 -0.04 0.00 0.00 -0.75 0.78 119.26 120.67 2qbc h ALA 68 Ca -0.02 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 2qbc h ALA 68 Cb 0.49 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2qbc h ALA 68 CO 0.03 -0.46 -0.48 -0.09 0.00 0.00 0.00 179.25 178.25 2qbc h ARG 69 N 0.00 0.10 -0.15 0.00 9.65 0.13 -2.47 114.38 121.63 2qbc h ARG 69 Ca 0.13 -0.05 0.04 0.00 -1.10 0.00 0.00 59.98 59.00 2qbc h ARG 69 Cb 0.77 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.34 2qbc h ARG 69 CO -0.00 0.56 0.11 0.37 2.80 0.00 0.00 179.97 183.81 2qbc h GLN 70 N 0.08 0.00 0.00 0.20 5.75 0.69 -3.41 115.11 118.42 2qbc h GLN 70 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2qbc h GLN 70 Cb 0.88 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.43 2qbc h GLN 70 CO 0.07 0.00 0.00 0.09 -2.65 0.00 0.00 178.83 176.34 2qbc n ASN 71 N -4.40 0.00 -0.69 -0.69 4.13 -0.93 -5.01 115.26 107.66 2qbc n ASN 71 Ca 0.01 0.00 0.04 0.00 1.68 0.00 0.00 54.58 56.31 2qbc n ASN 71 Cb 0.24 0.00 0.21 0.00 -1.54 0.00 0.00 39.78 38.69 2qbc n ASN 71 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2qbc n GLY 72 N 5.00 5.11 2.91 7.41 0.00 -1.26 -5.01 105.19 119.35 2qbc n GLY 72 Ca 0.00 -1.30 -0.13 0.00 0.00 0.00 0.00 46.02 44.59 2qbc n GLY 72 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2qbc s ILE 73 N -3.24 0.14 0.24 -0.61 1.10 -1.22 -5.11 121.20 112.49 2qbc s ILE 73 Ca 0.39 -0.17 -0.00 0.00 -0.51 0.00 0.00 60.65 60.36 2qbc s ILE 73 Cb 0.38 -0.14 -0.04 0.00 0.15 0.00 0.00 42.46 42.81 2qbc s ILE 73 CO -0.06 -0.02 0.43 -0.94 -2.11 0.00 0.00 174.94 172.24 2qbc s SER 74 N -0.20 6.37 0.12 4.50 1.04 -1.26 -3.40 113.70 120.86 2qbc s SER 74 Ca -0.01 0.41 -0.25 0.00 0.48 0.00 0.00 55.95 56.59 2qbc s SER 74 Cb -0.02 -2.01 -0.06 0.00 0.10 0.00 0.00 66.02 64.03 2qbc s SER 74 CO -0.00 -0.10 1.42 0.22 0.98 0.00 0.00 173.24 175.76 2qbc h TYR 75 N 1.70 -1.42 -0.34 5.02 3.20 -1.91 1.05 116.97 124.26 2qbc h TYR 75 Ca -0.49 0.09 0.03 0.00 3.14 0.00 0.00 58.73 61.50 2qbc h TYR 75 Cb 1.20 0.70 -0.04 0.00 1.54 0.00 0.00 36.73 40.13 2qbc h TYR 75 CO 0.54 -0.32 -0.20 0.43 -1.64 0.00 0.00 178.16 176.97 2qbc n SER 76 N -4.75 -0.36 0.08 -2.11 7.64 -1.26 -0.46 113.62 112.40 2qbc n SER 76 Ca 0.00 1.01 -0.07 0.00 1.01 0.00 0.00 58.87 60.81 2qbc n SER 76 Cb 0.22 -0.28 0.05 0.00 -1.01 0.00 0.00 64.21 63.19 2qbc n SER 76 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2qbc h LYS 77 N 0.00 0.23 0.00 1.43 1.57 -1.84 -2.05 116.57 115.91 2qbc h LYS 77 Ca 0.05 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 2qbc h LYS 77 Cb 0.14 0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2qbc h LYS 77 CO -0.32 0.88 0.00 0.34 -0.57 0.00 0.00 179.45 179.79 2qbc n PHE 78 N -3.76 0.00 -0.09 -1.35 -0.00 0.36 0.13 117.46 112.75 2qbc n PHE 78 Ca -0.03 0.00 0.17 0.00 -0.00 0.00 0.00 57.45 57.59 2qbc n PHE 78 Cb 0.72 -0.48 0.58 0.00 -0.00 0.00 0.00 39.48 40.30 2qbc n PHE 78 CO 0.00 0.00 0.00 0.97 -0.00 0.00 0.00 176.76 177.73 2qbc h ILE 79 N 0.00 0.78 0.31 -2.13 -0.00 -0.88 0.39 117.51 115.98 2qbc h ILE 79 Ca 0.00 -0.08 -0.01 0.00 -0.00 0.00 0.00 64.86 64.76 2qbc h ILE 79 Cb 0.00 0.51 -0.00 0.00 -0.00 0.00 0.00 36.82 37.33 2qbc h ILE 79 CO 0.00 0.04 -0.22 -1.13 -0.00 0.00 0.00 178.15 176.85 2qbc h ASN 80 N 0.25 -0.56 -0.43 2.19 -0.00 -0.55 0.18 115.58 116.66 2qbc h ASN 80 Ca 0.31 0.03 0.08 0.00 -0.00 0.00 0.00 56.30 56.73 2qbc h ASN 80 Cb 0.89 0.17 -0.07 0.00 -0.00 0.00 0.00 38.32 39.31 2qbc h ASN 80 CO -0.07 -0.32 -0.01 1.23 -0.00 0.00 0.00 177.43 178.27 2qbc h GLY 81 N -0.50 0.42 -0.59 1.57 0.00 0.20 0.44 103.07 104.61 2qbc h GLY 81 Ca -0.04 0.06 0.30 0.00 0.00 0.00 0.00 47.33 47.65 2qbc h GLY 81 CO 0.03 -0.11 0.42 1.41 0.00 0.00 0.00 176.54 178.29 2qbc h LEU 82 N 0.10 0.26 0.53 3.11 3.38 -0.00 1.85 115.31 124.54 2qbc h LEU 82 Ca 0.21 0.21 -0.03 0.00 0.09 0.00 0.00 57.88 58.36 2qbc h LEU 82 Cb 0.31 0.22 0.01 0.00 0.09 0.00 0.00 40.66 41.28 2qbc h LEU 82 CO -0.36 -0.19 -0.25 0.50 0.09 0.00 0.00 178.44 178.22 2qbc h LYS 83 N 0.23 -0.69 -0.60 1.13 1.63 0.28 -3.26 116.57 115.29 2qbc h LYS 83 Ca 0.68 0.05 0.12 0.00 -0.85 0.00 0.00 60.65 60.65 2qbc h LYS 83 Cb 1.53 0.16 -0.12 0.00 -0.60 0.00 0.00 32.23 33.20 2qbc h LYS 83 CO -0.66 -0.44 -0.19 0.87 -3.45 0.00 0.00 179.45 175.58 2qbc h LYS 84 N -1.17 -0.04 -5.29 1.90 1.57 0.26 -2.49 116.57 111.32 2qbc h LYS 84 Ca -0.07 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.55 2qbc h LYS 84 Cb 0.57 0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.86 2qbc h LYS 84 CO 0.12 -0.02 0.74 0.00 -0.57 0.00 0.00 179.45 179.71 2qbc n ALA 85 N -3.06 0.56 -1.65 3.86 0.00 0.60 -4.08 120.51 116.74 2qbc n ALA 85 Ca 0.07 -1.16 0.00 0.00 0.00 0.00 0.00 53.44 52.34 2qbc n ALA 85 Cb 0.33 -3.05 0.00 0.00 0.00 0.00 0.00 19.45 16.73 2qbc n ALA 85 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2qbc n SER 86 N 15.25 0.00 0.00 0.00 2.88 -1.25 -3.60 113.62 126.90 2qbc n SER 86 Ca 0.51 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.05 2qbc n SER 86 Cb 0.37 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.83 2qbc n SER 86 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2qbc n VAL 87 N -0.32 0.00 -2.56 2.46 0.31 -0.94 -4.91 118.33 112.38 2qbc n VAL 87 Ca 0.00 0.00 -0.04 0.00 -0.01 0.00 0.00 64.34 64.29 2qbc n VAL 87 Cb 0.00 0.00 -0.03 0.00 -0.91 0.00 0.00 33.84 32.90 2qbc n VAL 87 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2qbc n GLU 88 N 0.00 -4.54 0.00 5.55 0.00 -1.24 -4.08 120.64 116.33 2qbc n GLU 88 Ca 0.00 3.39 0.00 0.00 0.00 0.00 0.00 57.16 60.55 2qbc n GLU 88 Cb 0.00 -4.69 0.00 0.00 0.00 0.00 0.00 31.44 26.75 2qbc n GLU 88 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 2qbc n ILE 89 N 1.82 0.00 -0.55 6.31 2.08 -1.26 -4.72 119.36 123.04 2qbc n ILE 89 Ca -0.29 0.01 0.00 0.00 0.56 0.00 0.00 62.75 63.03 2qbc n ILE 89 Cb 0.45 -0.03 0.00 0.00 -0.75 0.00 0.00 39.64 39.31 2qbc n ILE 89 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 2qbc n ASP 90 N -0.05 0.00 -0.12 4.38 9.92 -1.26 -4.82 116.55 124.60 2qbc n ASP 90 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 2qbc n ASP 90 Cb 0.00 -1.51 0.00 0.00 -0.64 0.00 0.00 41.12 38.97 2qbc n ASP 90 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 2qbc n ARG 91 N -2.00 0.00 -0.00 -1.24 0.63 -1.26 -2.07 116.66 110.72 2qbc n ARG 91 Ca 0.00 0.00 0.02 0.00 -0.92 0.00 0.00 57.85 56.95 2qbc n ARG 91 Cb 0.00 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 32.89 2qbc n ARG 91 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 2qbc n LYS 92 N -0.24 4.64 -0.11 -0.14 5.02 -1.26 -4.20 118.16 121.87 2qbc n LYS 92 Ca 0.00 -0.01 -0.20 0.00 -2.02 0.00 0.00 58.31 56.08 2qbc n LYS 92 Cb 0.00 -0.76 -0.09 0.00 -0.02 0.00 0.00 35.03 34.16 2qbc n LYS 92 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 2qbc n ILE 93 N -1.20 1.51 0.28 -0.18 3.06 -1.26 -4.00 119.36 117.58 2qbc n ILE 93 Ca 0.00 -0.09 0.19 0.00 -2.50 0.00 0.00 62.75 60.36 2qbc n ILE 93 Cb 0.07 -2.08 1.00 0.00 0.54 0.00 0.00 39.64 39.17 2qbc n ILE 93 CO 0.00 0.00 0.00 -0.07 -2.50 0.00 0.00 176.55 173.98 2qbc h LEU 94 N -1.00 0.00 -0.14 9.51 -0.00 -1.82 0.27 115.31 122.13 2qbc h LEU 94 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.51 2qbc h LEU 94 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.91 2qbc h LEU 94 CO -0.23 0.00 0.00 0.00 -0.00 0.00 0.00 178.44 178.21 2qbc n ALA 95 N -1.98 2.03 1.00 1.53 0.00 -0.88 -2.56 120.51 119.64 2qbc n ALA 95 Ca -0.02 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.52 2qbc n ALA 95 Cb 0.07 -1.00 0.53 0.00 0.00 0.00 0.00 19.45 19.05 2qbc n ALA 95 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2qbc n ASP 96 N -0.40 0.00 0.00 0.00 5.68 0.95 -2.89 116.55 119.89 2qbc n ASP 96 Ca 0.00 -0.00 0.01 0.00 -0.50 0.00 0.00 54.79 54.29 2qbc n ASP 96 Cb 0.02 -0.29 0.05 0.00 -1.14 0.00 0.00 41.12 39.76 2qbc n ASP 96 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 2qbc n ILE 97 N -1.29 0.00 0.97 2.12 -5.35 -1.06 0.68 119.36 115.44 2qbc n ILE 97 Ca 0.10 0.00 0.11 0.00 -0.27 0.00 0.00 62.75 62.69 2qbc n ILE 97 Cb 0.17 -0.51 -0.01 0.00 -1.74 0.00 0.00 39.64 37.56 2qbc n ILE 97 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2qbc n ALA 98 N -0.62 3.53 -0.14 -1.28 0.00 -1.14 -3.93 120.51 116.93 2qbc n ALA 98 Ca 0.01 -0.64 -0.30 0.00 0.00 0.00 0.00 53.44 52.52 2qbc n ALA 98 Cb 0.01 -0.77 -0.10 0.00 0.00 0.00 0.00 19.45 18.59 2qbc n ALA 98 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qbc n VAL 99 N -0.03 1.51 -4.22 0.00 0.31 0.22 -4.74 118.33 111.38 2qbc n VAL 99 Ca 0.09 -0.39 -0.27 0.00 -0.01 0.00 0.00 64.34 63.76 2qbc n VAL 99 Cb 0.46 -1.87 -0.08 0.00 -0.91 0.00 0.00 33.84 31.43 2qbc n VAL 99 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 2qbc s PHE 100 N -2.50 2.80 -1.26 3.52 2.99 -1.16 -4.55 117.98 117.82 2qbc s PHE 100 Ca -0.38 -0.15 -0.04 0.00 0.00 0.00 0.00 56.93 56.36 2qbc s PHE 100 Cb 0.15 -1.38 -0.01 0.00 0.00 0.00 0.00 43.02 41.78 2qbc s PHE 100 CO 0.48 0.50 0.72 -3.47 -0.00 0.00 0.00 175.22 173.46 2qbc n ASP 101 N 0.06 -2.25 -0.09 1.36 4.64 -1.26 -4.39 116.55 114.61 2qbc n ASP 101 Ca -0.10 -0.85 0.25 0.00 -1.38 0.00 0.00 54.79 52.71 2qbc n ASP 101 Cb 0.55 -4.03 0.72 0.00 -1.04 0.00 0.00 41.12 37.32 2qbc n ASP 101 CO 0.00 0.00 0.00 0.50 -0.82 0.00 0.00 177.20 176.88 2qbc h LYS 102 N -1.80 0.00 -0.06 -0.67 3.64 -1.80 0.31 116.57 116.19 2qbc h LYS 102 Ca -0.62 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 58.78 2qbc h LYS 102 Cb 1.35 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.16 2qbc h LYS 102 CO 0.54 0.00 -0.05 0.28 -2.27 0.00 0.00 179.45 177.95 2qbc h VAL 103 N 0.00 0.85 -3.32 2.00 2.07 -1.86 -3.32 116.25 112.67 2qbc h VAL 103 Ca 0.35 0.00 -0.47 0.00 0.82 0.00 0.00 66.70 67.40 2qbc h VAL 103 Cb 1.48 0.85 0.22 0.00 -1.52 0.00 0.00 31.29 32.32 2qbc h VAL 103 CO -0.00 0.00 -0.18 0.00 0.02 0.00 0.00 177.57 177.41 2qbc n ALA 104 N -2.27 -2.64 0.00 1.67 0.00 0.11 -2.17 120.51 115.21 2qbc n ALA 104 Ca -0.05 -1.02 0.00 0.00 0.00 0.00 0.00 53.44 52.37 2qbc n ALA 104 Cb 0.10 -1.95 0.00 0.00 0.00 0.00 0.00 19.45 17.60 2qbc n ALA 104 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2qbc n PHE 105 N -4.64 0.00 0.16 0.00 -0.00 -1.26 -4.38 117.46 107.34 2qbc n PHE 105 Ca 0.05 0.00 0.17 0.00 -0.00 0.00 0.00 57.45 57.66 2qbc n PHE 105 Cb 0.55 0.00 0.77 0.00 -0.00 0.00 0.00 39.48 40.79 2qbc n PHE 105 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 2qbc h THR 106 N 0.00 0.61 0.17 -2.13 2.02 -1.54 0.33 112.91 112.37 2qbc h THR 106 Ca 0.00 0.00 -0.23 0.00 0.77 0.00 0.00 66.41 66.95 2qbc h THR 106 Cb 0.00 0.83 0.02 0.00 -1.74 0.00 0.00 68.15 67.27 2qbc h THR 106 CO 0.00 0.00 -1.03 0.00 0.37 0.00 0.00 175.52 174.86 2qbc h ALA 107 N 1.79 -0.09 -0.87 6.16 0.00 -1.75 -3.15 119.26 121.35 2qbc h ALA 107 Ca 0.12 -0.77 0.25 0.00 0.00 0.00 0.00 54.91 54.51 2qbc h ALA 107 Cb 0.56 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.46 2qbc h ALA 107 CO -0.00 0.49 0.66 -0.07 0.00 0.00 0.00 179.25 180.33 2qbc h LEU 108 N -0.23 0.00 0.14 0.00 3.38 -0.79 0.19 115.31 117.99 2qbc h LEU 108 Ca -0.18 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.80 2qbc h LEU 108 Cb 1.79 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.52 2qbc h LEU 108 CO 0.18 0.00 -0.20 0.58 0.09 0.00 0.00 178.44 179.09 2qbc h VAL 109 N 0.00 0.56 0.03 1.22 2.07 -0.92 -2.42 116.25 116.80 2qbc h VAL 109 Ca 0.41 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.95 2qbc h VAL 109 Cb 1.72 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 32.02 2qbc h VAL 109 CO -0.00 0.00 -0.15 -0.33 0.02 0.00 0.00 177.57 177.11 2qbc h GLU 110 N -0.39 -0.25 -1.02 1.57 3.07 -0.76 -0.53 114.58 116.27 2qbc h GLU 110 Ca 0.02 0.02 0.36 0.00 -0.50 0.00 0.00 59.36 59.26 2qbc h GLU 110 Cb 0.40 0.06 -0.16 0.00 -0.84 0.00 0.00 28.75 28.21 2qbc h GLU 110 CO -0.09 -0.17 0.57 -0.22 -1.40 0.00 0.00 179.01 177.70 2qbc h LYS 111 N -0.26 0.19 0.20 2.33 1.63 -1.22 0.43 116.57 119.87 2qbc h LYS 111 Ca 0.04 -0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.82 2qbc h LYS 111 Cb 0.31 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 31.89 2qbc h LYS 111 CO -0.12 0.13 -0.10 0.00 -3.45 0.00 0.00 179.45 175.91 2qbc h ALA 112 N 1.89 -0.34 -0.93 5.00 0.00 -0.86 -3.00 119.26 121.01 2qbc h ALA 112 Ca 0.78 -0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.73 2qbc h ALA 112 Cb 1.93 0.11 -0.12 0.00 0.00 0.00 0.00 17.79 19.70 2qbc h ALA 112 CO -0.66 -0.32 -0.54 0.87 0.00 0.00 0.00 179.25 178.60 2qbc h LYS 113 N -0.81 -0.04 -0.11 0.00 1.57 0.41 0.19 116.57 117.78 2qbc h LYS 113 Ca -0.03 0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2qbc h LYS 113 Cb 0.21 0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.48 2qbc h LYS 113 CO 0.05 -0.03 -0.42 0.00 -0.57 0.00 0.00 179.45 178.48 2qbc h ALA 114 N 0.64 -0.78 -0.53 3.86 0.00 -0.36 0.23 119.26 122.32 2qbc h ALA 114 Ca 0.19 -0.04 0.16 0.00 0.00 0.00 0.00 54.91 55.21 2qbc h ALA 114 Cb 0.47 0.91 -0.02 0.00 0.00 0.00 0.00 17.79 19.15 2qbc h ALA 114 CO -0.91 -0.93 0.49 0.00 0.00 0.00 0.00 179.25 177.90 2qbc h ALA 115 N -0.56 2.33 -0.32 0.00 0.00 -1.14 0.29 119.26 119.86 2qbc h ALA 115 Ca 0.03 -0.02 -0.19 0.00 0.00 0.00 0.00 54.91 54.73 2qbc h ALA 115 Cb 0.52 0.04 -0.10 0.00 0.00 0.00 0.00 17.79 18.25 2qbc h ALA 115 CO -0.34 -0.77 0.24 1.28 0.00 0.00 0.00 179.25 179.66 2qbc n LEU 116 N -3.90 4.90 0.00 0.00 4.77 0.81 -4.88 117.00 118.70 2qbc n LEU 116 Ca 0.10 -2.48 0.00 0.00 -0.03 0.00 0.00 56.01 53.60 2qbc n LEU 116 Cb 0.70 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 2qbc n LEU 116 CO 0.31 0.85 0.00 0.00 -1.33 0.00 0.00 177.39 177.22