#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qao n ARG 2 N 0.00 -0.04 -5.14 0.00 3.00 -1.26 -4.99 116.66 108.23 2qao n ARG 2 Ca 0.00 0.02 -0.31 0.00 -0.00 0.00 0.00 57.85 57.56 2qao n ARG 2 Cb 0.00 -1.66 -0.17 0.00 0.00 0.00 0.00 32.46 30.63 2qao n ARG 2 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 2qao s VAL 3 N -2.16 1.94 0.00 5.15 1.01 -1.26 -5.06 120.40 120.02 2qao s VAL 3 Ca 0.57 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.59 2qao s VAL 3 Cb -0.26 -1.68 0.00 0.00 0.00 0.00 0.00 36.38 34.44 2qao s VAL 3 CO 0.67 0.53 0.34 0.29 0.00 0.00 0.00 175.10 176.93 2qao n LYS 4 N 3.51 0.00 -3.52 2.72 5.02 -1.26 -4.85 118.16 119.78 2qao n LYS 4 Ca -0.19 0.34 -0.20 0.00 -2.02 0.00 0.00 58.31 56.23 2qao n LYS 4 Cb 0.53 -0.55 0.06 0.00 -0.02 0.00 0.00 35.03 35.04 2qao n LYS 4 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2qao n ARG 5 N -1.71 -4.16 0.00 1.97 0.63 -1.26 -4.94 116.66 107.19 2qao n ARG 5 Ca 0.00 0.71 0.00 0.00 -0.92 0.00 0.00 57.85 57.64 2qao n ARG 5 Cb 0.00 -5.36 0.00 0.00 0.45 0.00 0.00 32.46 27.55 2qao n ARG 5 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2qao n GLY 6 N -1.40 0.46 0.37 5.14 0.00 -1.26 -4.82 105.19 103.68 2qao n GLY 6 Ca -0.21 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.86 2qao n GLY 6 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2qao h VAL 7 N 0.00 1.01 0.00 1.61 -1.51 -1.97 0.11 116.25 115.49 2qao h VAL 7 Ca 0.00 -0.34 0.00 0.00 -1.23 0.00 0.00 66.70 65.13 2qao h VAL 7 Cb 0.00 -0.08 0.00 0.00 -2.13 0.00 0.00 31.29 29.08 2qao h VAL 7 CO 0.00 0.18 0.00 -0.29 -1.23 0.00 0.00 177.57 176.23 2qao h ILE 8 N 1.00 0.00 0.00 7.19 6.09 -1.99 -2.74 117.51 127.06 2qao h ILE 8 Ca 0.43 -0.13 0.00 0.00 -1.37 0.00 0.00 64.86 63.79 2qao h ILE 8 Cb 0.33 1.09 0.00 0.00 0.47 0.00 0.00 36.82 38.71 2qao h ILE 8 CO -0.19 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 174.89 2qao n ALA 9 N -2.06 0.00 0.33 0.18 0.00 0.35 -3.93 120.51 115.38 2qao n ALA 9 Ca -0.02 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2qao n ALA 9 Cb 0.13 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.58 2qao n ALA 9 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2qao n ARG 10 N -1.96 0.33 -0.09 0.00 1.85 -1.09 -2.33 116.66 113.36 2qao n ARG 10 Ca 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 57.85 56.76 2qao n ARG 10 Cb 0.00 -1.20 -0.03 0.00 -1.05 0.00 0.00 32.46 30.18 2qao n ARG 10 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2qao n ALA 11 N 0.44 0.85 0.27 2.89 0.00 -1.04 -3.27 120.51 120.66 2qao n ALA 11 Ca 0.00 -0.79 0.15 0.00 0.00 0.00 0.00 53.44 52.80 2qao n ALA 11 Cb 0.10 0.03 0.75 0.00 0.00 0.00 0.00 19.45 20.32 2qao n ALA 11 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.50 177.57 2qao h ARG 12 N -1.00 0.00 0.51 0.00 0.11 -1.60 -1.04 114.38 111.36 2qao h ARG 12 Ca -0.03 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.03 2qao h ARG 12 Cb 0.98 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.06 2qao h ARG 12 CO -0.02 0.08 -0.24 1.25 0.10 0.00 0.00 179.97 181.14 2qao h HIS 13 N 0.00 -0.63 -0.04 4.08 2.76 -1.65 -2.81 115.15 116.86 2qao h HIS 13 Ca -0.00 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.16 2qao h HIS 13 Cb 0.41 0.21 -0.00 0.00 1.55 0.00 0.00 27.41 29.58 2qao h HIS 13 CO 0.00 -0.30 0.03 -0.22 -1.30 0.00 0.00 177.93 176.13 2qao h LYS 14 N -0.98 0.00 0.15 5.26 3.64 -1.42 0.32 116.57 123.54 2qao h LYS 14 Ca -0.07 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2qao h LYS 14 Cb 0.61 -0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 2qao h LYS 14 CO 0.11 0.00 -0.18 -0.22 -2.27 0.00 0.00 179.45 176.90 2qao h LYS 15 N 0.00 -0.32 -0.19 1.90 3.11 -1.01 -2.60 116.57 117.47 2qao h LYS 15 Ca 0.02 0.02 0.05 0.00 -2.81 0.00 0.00 60.65 57.93 2qao h LYS 15 Cb 0.07 0.07 -0.06 0.00 -1.00 0.00 0.00 32.23 31.32 2qao h LYS 15 CO -0.00 -0.21 -0.17 0.82 -2.81 0.00 0.00 179.45 177.07 2qao h ILE 16 N -0.33 0.53 0.00 2.00 5.03 -1.24 -3.13 117.51 120.37 2qao h ILE 16 Ca -0.02 0.00 -0.63 0.00 -0.12 0.00 0.00 64.86 64.09 2qao h ILE 16 Cb 0.29 0.53 0.08 0.00 -3.03 0.00 0.00 36.82 34.70 2qao h ILE 16 CO -0.04 0.00 1.98 -0.11 -0.68 0.00 0.00 178.15 179.31 2qao n LEU 17 N -5.32 3.03 0.00 1.44 7.94 0.07 -1.59 117.00 122.57 2qao n LEU 17 Ca -0.02 -2.41 0.00 0.00 -1.11 0.00 0.00 56.01 52.47 2qao n LEU 17 Cb 0.24 -0.90 0.00 0.00 0.53 0.00 0.00 43.42 43.29 2qao n LEU 17 CO 0.19 -0.92 0.00 1.17 -1.11 0.00 0.00 177.39 176.72 2qao n LYS 18 N 7.34 0.00 0.00 1.96 4.81 -1.19 -4.72 118.16 126.37 2qao n LYS 18 Ca 0.49 0.00 0.04 0.00 -0.87 0.00 0.00 58.31 57.97 2qao n LYS 18 Cb 0.41 0.00 0.25 0.00 0.02 0.00 0.00 35.03 35.71 2qao n LYS 18 CO 0.00 0.00 0.00 1.04 1.17 0.00 0.00 177.40 179.61 2qao n GLN 19 N -1.59 0.26 -0.00 1.64 6.02 -0.62 -0.06 117.38 123.03 2qao n GLN 19 Ca 0.00 0.01 0.08 0.00 -0.01 0.00 0.00 57.00 57.08 2qao n GLN 19 Cb 0.00 -1.50 -0.11 0.00 1.02 0.00 0.00 30.24 29.65 2qao n GLN 19 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2qao n ALA 20 N -1.01 3.62 -1.70 -1.58 0.00 -1.24 -4.85 120.51 113.75 2qao n ALA 20 Ca 0.06 -0.45 -0.60 0.00 0.00 0.00 0.00 53.44 52.45 2qao n ALA 20 Cb 0.03 -0.60 -0.08 0.00 0.00 0.00 0.00 19.45 18.80 2qao n ALA 20 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2qao n LYS 21 N -1.65 0.78 0.00 0.00 4.76 0.91 -1.18 118.16 121.78 2qao n LYS 21 Ca 0.01 0.28 0.00 0.00 -2.87 0.00 0.00 58.31 55.73 2qao n LYS 21 Cb 0.33 -1.90 0.00 0.00 -1.84 0.00 0.00 35.03 31.62 2qao n LYS 21 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qao n GLY 22 N 3.82 2.00 3.79 0.72 0.00 -1.26 -5.09 105.19 109.16 2qao n GLY 22 Ca 0.27 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.92 2qao n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2qao s TYR 23 N -2.13 3.71 0.80 1.61 4.12 -0.32 -5.05 117.35 120.08 2qao s TYR 23 Ca 0.00 1.69 -0.11 0.00 0.02 0.00 0.00 57.07 58.67 2qao s TYR 23 Cb 0.00 -2.85 0.07 0.00 -1.52 0.00 0.00 41.96 37.66 2qao s TYR 23 CO 0.00 0.27 1.09 -0.47 0.02 0.00 0.00 175.55 176.45 2qao s TYR 24 N -1.55 2.73 0.00 2.71 5.04 -1.26 -3.67 117.35 121.35 2qao s TYR 24 Ca 0.47 1.28 0.00 0.00 -2.44 0.00 0.00 57.07 56.39 2qao s TYR 24 Cb -0.19 -3.07 0.00 0.00 0.35 0.00 0.00 41.96 39.05 2qao s TYR 24 CO 0.24 -1.81 0.00 0.41 -1.34 0.00 0.00 175.55 173.05 2qao n GLY 25 N -1.73 -0.25 0.36 8.97 0.00 -1.26 -2.45 105.19 108.83 2qao n GLY 25 Ca 0.07 -0.72 0.12 0.00 0.00 0.00 0.00 46.02 45.50 2qao n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qao h ALA 26 N -0.68 1.81 -1.23 4.61 0.00 -1.90 -2.01 119.26 119.86 2qao h ALA 26 Ca 0.00 -0.01 0.36 0.00 0.00 0.00 0.00 54.91 55.26 2qao h ALA 26 Cb 0.00 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 2qao h ALA 26 CO 0.00 -0.73 1.10 0.00 0.00 0.00 0.00 179.25 179.62 2qao h ARG 27 N 0.00 0.00 0.00 0.00 3.08 -1.75 1.36 114.38 117.07 2qao h ARG 27 Ca 0.07 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.12 2qao h ARG 27 Cb 1.37 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.42 2qao h ARG 27 CO -0.00 0.00 -0.14 0.43 -1.07 0.00 0.00 179.97 179.19 2qao n SER 28 N -3.67 2.11 -2.75 7.04 7.64 -0.76 -4.13 113.62 119.10 2qao n SER 28 Ca 0.27 -3.20 -0.03 0.00 1.01 0.00 0.00 58.87 56.92 2qao n SER 28 Cb 1.48 -0.44 0.02 0.00 -1.01 0.00 0.00 64.21 64.26 2qao n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qao s ARG 29 N -2.80 0.55 0.00 1.43 1.70 0.47 -4.84 118.95 115.45 2qao s ARG 29 Ca 0.32 -0.49 0.00 0.00 -0.47 0.00 0.00 55.73 55.09 2qao s ARG 29 Cb 0.29 -0.01 0.00 0.00 -0.57 0.00 0.00 34.95 34.66 2qao s ARG 29 CO 0.01 -0.69 0.00 1.55 -1.08 0.00 0.00 175.30 175.09 2qao n VAL 30 N 2.96 0.00 0.00 4.99 3.14 -1.20 -4.54 118.33 123.68 2qao n VAL 30 Ca 0.13 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.51 2qao n VAL 30 Cb 0.61 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.39 2qao n VAL 30 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2qao n TYR 31 N 0.00 0.00 -0.59 1.45 9.36 -1.26 -4.93 117.16 121.19 2qao n TYR 31 Ca 0.00 0.00 0.47 0.00 3.32 0.00 0.00 57.90 61.69 2qao n TYR 31 Cb 0.00 0.00 0.75 0.00 -0.63 0.00 0.00 39.34 39.46 2qao n TYR 31 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 2qao h ARG 32 N 0.00 0.00 0.00 2.98 3.08 -1.99 1.13 114.38 119.59 2qao h ARG 32 Ca 0.00 0.00 -0.37 0.00 0.07 0.00 0.00 59.98 59.68 2qao h ARG 32 Cb 0.00 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 29.98 2qao h ARG 32 CO 0.00 0.00 -2.41 1.33 -1.07 0.00 0.00 179.97 177.82 2qao n VAL 33 N -3.83 1.42 0.24 2.04 0.24 -1.26 -3.47 118.33 113.71 2qao n VAL 33 Ca 0.39 -0.66 0.07 0.00 -2.04 0.00 0.00 64.34 62.10 2qao n VAL 33 Cb 1.86 -1.07 0.58 0.00 -1.47 0.00 0.00 33.84 33.74 2qao n VAL 33 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qao h ALA 34 N 0.34 1.85 0.23 2.33 0.00 -0.09 0.41 119.26 124.34 2qao h ALA 34 Ca -0.56 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.26 2qao h ALA 34 Cb 2.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.78 2qao h ALA 34 CO -0.05 0.11 -0.11 0.35 0.00 0.00 0.00 179.25 179.55 2qao h PHE 35 N 0.00 -0.29 0.00 0.00 3.04 0.82 -0.92 116.94 119.59 2qao h PHE 35 Ca -0.00 -0.01 0.00 0.00 3.98 0.00 0.00 57.97 61.94 2qao h PHE 35 Cb 0.16 0.10 0.00 0.00 2.56 0.00 0.00 35.95 38.76 2qao h PHE 35 CO 0.00 0.06 0.01 1.04 -2.02 0.00 0.00 178.31 177.40 2qao n GLN 36 N -4.99 0.00 -0.03 1.11 6.02 -0.80 -1.55 117.38 117.14 2qao n GLN 36 Ca -0.07 0.36 -0.02 0.00 -0.01 0.00 0.00 57.00 57.26 2qao n GLN 36 Cb 0.25 -1.51 -0.01 0.00 1.02 0.00 0.00 30.24 29.99 2qao n GLN 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2qao h ALA 37 N 1.95 0.00 -0.49 -1.58 0.00 0.21 -3.31 119.26 116.04 2qao h ALA 37 Ca 0.00 -0.28 0.10 0.00 0.00 0.00 0.00 54.91 54.73 2qao h ALA 37 Cb 0.02 0.17 -0.10 0.00 0.00 0.00 0.00 17.79 17.88 2qao h ALA 37 CO 0.00 0.17 -0.24 0.28 0.00 0.00 0.00 179.25 179.46 2qao h VAL 38 N -0.43 0.32 -0.70 0.00 2.07 -0.69 -1.18 116.25 115.64 2qao h VAL 38 Ca 0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.58 2qao h VAL 38 Cb 0.17 0.32 -0.08 0.00 -1.52 0.00 0.00 31.29 30.18 2qao h VAL 38 CO 0.00 0.00 -0.41 -0.38 0.02 0.00 0.00 177.57 176.80 2qao n ILE 39 N -5.41 -0.48 -0.09 4.57 2.08 -0.59 -0.52 119.36 118.92 2qao n ILE 39 Ca 0.04 2.14 -0.07 0.00 0.56 0.00 0.00 62.75 65.42 2qao n ILE 39 Cb 0.32 -2.68 -0.00 0.00 -0.75 0.00 0.00 39.64 36.52 2qao n ILE 39 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 2qao h LYS 40 N 0.00 -0.17 -0.82 0.38 1.79 -1.37 -0.47 116.57 115.91 2qao h LYS 40 Ca 0.11 0.01 0.20 0.00 -2.18 0.00 0.00 60.65 58.79 2qao h LYS 40 Cb 0.29 0.04 -0.12 0.00 -1.58 0.00 0.00 32.23 30.85 2qao h LYS 40 CO -0.66 -0.11 0.24 0.00 -1.08 0.00 0.00 179.45 177.84 2qao h ALA 41 N 1.00 1.15 -0.42 3.86 0.00 0.28 0.49 119.26 125.62 2qao h ALA 41 Ca 0.17 0.19 0.03 0.00 0.00 0.00 0.00 54.91 55.29 2qao h ALA 41 Cb 0.43 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2qao h ALA 41 CO -0.43 -0.38 0.22 0.78 0.00 0.00 0.00 179.25 179.44 2qao h GLY 42 N 0.28 0.57 0.71 0.00 0.00 0.86 0.13 103.07 105.63 2qao h GLY 42 Ca 0.49 -0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.64 2qao h GLY 42 CO -0.56 0.11 -0.26 1.46 0.00 0.00 0.00 176.54 177.30 2qao h GLN 43 N 0.44 -0.69 -0.02 4.80 4.20 -0.14 0.06 115.11 123.76 2qao h GLN 43 Ca 0.18 0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.94 2qao h GLN 43 Cb 0.07 0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.01 2qao h GLN 43 CO -0.12 -0.38 0.41 1.88 -0.67 0.00 0.00 178.83 179.96 2qao h TYR 44 N -1.01 0.00 0.00 2.96 0.99 -0.09 0.68 116.97 120.50 2qao h TYR 44 Ca -0.07 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.66 2qao h TYR 44 Cb 0.62 0.00 0.00 0.00 1.00 0.00 0.00 36.73 38.35 2qao h TYR 44 CO 0.01 0.00 -0.10 0.00 -0.00 0.00 0.00 178.16 178.06 2qao h ALA 45 N 1.19 0.00 -1.20 3.88 0.00 -0.57 -2.66 119.26 119.89 2qao h ALA 45 Ca 0.01 -0.17 0.36 0.00 0.00 0.00 0.00 54.91 55.11 2qao h ALA 45 Cb 0.84 0.10 -0.11 0.00 0.00 0.00 0.00 17.79 18.62 2qao h ALA 45 CO -0.00 0.10 0.78 -0.92 0.00 0.00 0.00 179.25 179.22 2qao h TYR 46 N -0.44 0.53 0.49 0.00 3.20 -0.40 0.79 116.97 121.14 2qao h TYR 46 Ca 0.00 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.87 2qao h TYR 46 Cb 0.10 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.24 2qao h TYR 46 CO -0.04 -0.07 -0.23 -0.09 -1.64 0.00 0.00 178.16 176.08 2qao h ARG 47 N 0.21 -0.63 0.00 1.82 2.43 -1.03 -3.20 114.38 113.98 2qao h ARG 47 Ca 0.71 0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.92 2qao h ARG 47 Cb 2.11 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 31.81 2qao h ARG 47 CO -0.33 -0.42 0.00 -0.44 -1.51 0.00 0.00 179.97 177.27 2qao h ASP 48 N -1.17 0.00 0.10 -3.80 3.45 -0.78 -0.97 116.42 113.25 2qao h ASP 48 Ca -0.07 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.39 2qao h ASP 48 Cb 0.50 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.27 2qao h ASP 48 CO 0.11 0.00 0.00 -1.14 -1.57 0.00 0.00 179.24 176.64 2qao n ARG 49 N -2.53 0.10 -0.08 3.56 3.00 0.26 -1.98 116.66 118.99 2qao n ARG 49 Ca -0.01 0.56 -0.13 0.00 -0.00 0.00 0.00 57.85 58.27 2qao n ARG 49 Cb 0.12 -1.79 -0.07 0.00 0.00 0.00 0.00 32.46 30.72 2qao n ARG 49 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2qao n ARG 50 N -1.99 0.39 -0.09 -0.14 3.00 -0.37 -4.54 116.66 112.91 2qao n ARG 50 Ca -0.00 0.11 0.18 0.00 -0.01 0.00 0.00 57.85 58.13 2qao n ARG 50 Cb 0.05 -1.27 0.60 0.00 0.00 0.00 0.00 32.46 31.84 2qao n ARG 50 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.63 179.59 2qao h GLN 51 N -0.14 0.20 0.23 5.56 4.20 -1.41 -1.39 115.11 122.36 2qao h GLN 51 Ca -0.37 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.33 2qao h GLN 51 Cb 1.51 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 29.22 2qao h GLN 51 CO -0.10 0.13 -0.25 -0.09 -0.67 0.00 0.00 178.83 177.85 2qao h ARG 52 N 0.21 -0.51 0.00 1.46 2.43 -1.63 0.28 114.38 116.62 2qao h ARG 52 Ca 0.32 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.53 2qao h ARG 52 Cb 0.97 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.64 2qao h ARG 52 CO -0.06 -0.34 0.12 1.63 -1.51 0.00 0.00 179.97 179.81 2qao n LYS 53 N -5.38 0.06 -0.01 0.20 5.02 -0.53 -2.63 118.16 114.90 2qao n LYS 53 Ca -0.08 0.51 -0.00 0.00 -2.02 0.00 0.00 58.31 56.72 2qao n LYS 53 Cb 0.29 -1.82 -0.00 0.00 -0.02 0.00 0.00 35.03 33.47 2qao n LYS 53 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qao n ARG 54 N -1.81 0.04 -0.32 1.97 1.74 0.22 -4.04 116.66 114.45 2qao n ARG 54 Ca -0.01 0.16 -0.07 0.00 -0.77 0.00 0.00 57.85 57.16 2qao n ARG 54 Cb 0.13 -0.71 -0.06 0.00 -1.02 0.00 0.00 32.46 30.81 2qao n ARG 54 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2qao n GLN 55 N -2.52 -0.31 -0.19 5.56 6.02 0.74 0.25 117.38 126.94 2qao n GLN 55 Ca -0.01 1.17 -0.03 0.00 -0.01 0.00 0.00 57.00 58.12 2qao n GLN 55 Cb 0.03 -1.72 0.07 0.00 1.02 0.00 0.00 30.24 29.64 2qao n GLN 55 CO 0.00 0.00 0.00 0.74 -1.01 0.00 0.00 177.06 176.79 2qao h PHE 56 N 0.00 0.49 0.10 1.08 0.05 -1.76 0.71 116.94 117.62 2qao h PHE 56 Ca 0.15 0.02 -0.00 0.00 3.82 0.00 0.00 57.97 61.96 2qao h PHE 56 Cb 0.34 -0.14 -0.01 0.00 2.00 0.00 0.00 35.95 38.14 2qao h PHE 56 CO -0.77 0.22 -0.18 -0.09 -0.18 0.00 0.00 178.31 177.31 2qao h ARG 57 N 0.51 -0.29 -0.89 1.51 2.43 -0.34 0.78 114.38 118.10 2qao h ARG 57 Ca 0.26 0.02 0.21 0.00 -0.81 0.00 0.00 59.98 59.65 2qao h ARG 57 Cb 0.20 0.07 -0.12 0.00 -0.42 0.00 0.00 29.97 29.70 2qao h ARG 57 CO -0.20 -0.19 0.40 1.96 -1.51 0.00 0.00 179.97 180.43 2qao h GLN 58 N -0.30 0.43 0.16 0.20 4.20 -0.99 -0.61 115.11 118.19 2qao h GLN 58 Ca -0.01 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 2qao h GLN 58 Cb 0.28 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.93 2qao h GLN 58 CO -0.06 0.28 -0.41 1.25 -0.67 0.00 0.00 178.83 179.23 2qao h LEU 59 N 0.44 -1.20 -0.36 1.46 7.12 0.19 0.35 115.31 123.31 2qao h LEU 59 Ca 0.54 0.12 0.07 0.00 0.13 0.00 0.00 57.88 58.74 2qao h LEU 59 Cb 0.98 0.43 -0.09 0.00 -0.53 0.00 0.00 40.66 41.46 2qao h LEU 59 CO -0.50 -0.45 -0.42 -0.50 -0.13 0.00 0.00 178.44 176.45 2qao h TRP 60 N -0.63 -1.21 -1.06 1.25 6.55 0.18 0.48 115.95 121.52 2qao h TRP 60 Ca -0.01 0.06 0.29 0.00 0.95 0.00 0.00 58.89 60.18 2qao h TRP 60 Cb 0.61 0.58 -0.12 0.00 -0.86 0.00 0.00 29.16 29.37 2qao h TRP 60 CO -0.37 -0.44 0.65 0.82 -1.05 0.00 0.00 178.44 178.04 2qao h ILE 61 N -0.35 0.43 0.00 1.49 2.04 -0.64 0.96 117.51 121.44 2qao h ILE 61 Ca 0.13 -0.14 -0.01 0.00 1.00 0.00 0.00 64.86 65.84 2qao h ILE 61 Cb 0.59 -0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.66 2qao h ILE 61 CO -0.54 0.07 -0.05 0.00 0.00 0.00 0.00 178.15 177.64 2qao h ALA 62 N 1.70 1.92 0.00 1.87 0.00 0.41 -2.10 119.26 123.06 2qao h ALA 62 Ca 0.67 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 55.36 2qao h ALA 62 Cb 1.59 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.34 2qao h ALA 62 CO -0.43 0.06 -1.04 0.00 0.00 0.00 0.00 179.25 177.84 2qao h ARG 63 N 0.00 0.00 -0.75 0.00 3.08 0.13 -3.15 114.38 113.68 2qao h ARG 63 Ca -0.00 0.00 0.07 0.00 0.07 0.00 0.00 59.98 60.12 2qao h ARG 63 Cb 0.08 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.04 2qao h ARG 63 CO 0.01 0.75 -0.50 0.82 -1.07 0.00 0.00 179.97 179.98 2qao h ILE 64 N -1.00 0.00 -0.67 2.04 1.08 -0.62 1.31 117.51 119.65 2qao h ILE 64 Ca -0.26 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.29 2qao h ILE 64 Cb 1.09 0.00 -0.06 0.00 -3.07 0.00 0.00 36.82 34.78 2qao h ILE 64 CO -0.16 0.00 0.34 -1.13 -0.69 0.00 0.00 178.15 176.51 2qao h ASN 65 N -0.07 0.46 -0.57 1.72 -1.24 -1.58 0.36 115.58 114.66 2qao h ASN 65 Ca 0.12 0.05 0.07 0.00 0.71 0.00 0.00 56.30 57.25 2qao h ASN 65 Cb 0.38 -0.03 -0.06 0.00 0.73 0.00 0.00 38.32 39.34 2qao h ASN 65 CO -0.74 0.28 0.26 0.00 -1.29 0.00 0.00 177.43 175.94 2qao h ALA 66 N 1.39 0.74 0.44 1.57 0.00 0.25 0.77 119.26 124.41 2qao h ALA 66 Ca 0.32 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 2qao h ALA 66 Cb 0.30 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2qao h ALA 66 CO -0.24 -0.11 -0.21 0.00 0.00 0.00 0.00 179.25 178.69 2qao h ALA 67 N 1.34 -0.58 -0.96 0.00 0.00 0.25 -2.05 119.26 117.25 2qao h ALA 67 Ca 0.27 -0.17 0.21 0.00 0.00 0.00 0.00 54.91 55.21 2qao h ALA 67 Cb 0.24 0.23 -0.08 0.00 0.00 0.00 0.00 17.79 18.17 2qao h ALA 67 CO -0.22 -0.59 0.61 0.00 0.00 0.00 0.00 179.25 179.05 2qao h ALA 68 N -0.86 2.05 -0.54 0.00 0.00 -0.20 0.76 119.26 120.48 2qao h ALA 68 Ca -0.06 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2qao h ALA 68 Cb 0.54 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.26 2qao h ALA 68 CO 0.10 -0.37 0.16 -0.09 0.00 0.00 0.00 179.25 179.05 2qao h ARG 69 N 0.52 0.80 -0.61 0.00 9.65 0.65 -0.92 114.38 124.48 2qao h ARG 69 Ca 0.52 -0.15 0.15 0.00 -1.10 0.00 0.00 59.98 59.40 2qao h ARG 69 Cb 1.13 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 29.55 2qao h ARG 69 CO -0.25 0.70 0.42 0.37 2.80 0.00 0.00 179.97 184.02 2qao h GLN 70 N 0.78 0.13 0.00 0.20 5.75 0.13 -3.41 115.11 118.69 2qao h GLN 70 Ca 0.18 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.67 2qao h GLN 70 Cb 0.24 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.76 2qao h GLN 70 CO -0.01 0.08 0.00 0.09 -2.65 0.00 0.00 178.83 176.35 2qao n ASN 71 N -4.41 0.00 -0.33 -0.69 4.13 -0.35 -5.02 115.26 108.60 2qao n ASN 71 Ca 0.11 0.00 0.09 0.00 1.68 0.00 0.00 54.58 56.46 2qao n ASN 71 Cb 0.59 0.00 0.17 0.00 -1.54 0.00 0.00 39.78 39.00 2qao n ASN 71 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2qao n GLY 72 N 5.00 4.53 3.02 7.41 0.00 -1.25 -5.02 105.19 118.88 2qao n GLY 72 Ca 0.00 -1.06 -0.15 0.00 0.00 0.00 0.00 46.02 44.81 2qao n GLY 72 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2qao s ILE 73 N -2.77 0.53 0.61 -0.61 1.10 -1.22 -5.09 121.20 113.75 2qao s ILE 73 Ca 0.34 -0.65 -0.07 0.00 -0.51 0.00 0.00 60.65 59.75 2qao s ILE 73 Cb 0.29 -0.52 0.00 0.00 0.15 0.00 0.00 42.46 42.38 2qao s ILE 73 CO 0.05 -0.10 0.94 -0.94 -2.11 0.00 0.00 174.94 172.78 2qao s SER 74 N -0.82 5.66 0.01 4.50 1.04 -1.26 -3.25 113.70 119.58 2qao s SER 74 Ca -0.03 0.87 -0.02 0.00 0.48 0.00 0.00 55.95 57.24 2qao s SER 74 Cb -0.06 -1.85 -0.01 0.00 0.10 0.00 0.00 66.02 64.20 2qao s SER 74 CO 0.00 -1.06 1.03 0.22 0.98 0.00 0.00 173.24 174.41 2qao h TYR 75 N -0.25 -0.10 -0.41 5.02 3.20 -1.91 0.38 116.97 122.90 2qao h TYR 75 Ca -0.45 0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.46 2qao h TYR 75 Cb 1.25 0.04 -0.05 0.00 1.54 0.00 0.00 36.73 39.51 2qao h TYR 75 CO 0.50 -0.03 -0.24 -1.13 -1.64 0.00 0.00 178.16 175.61 2qao n SER 76 N -2.77 -0.44 -0.17 -2.11 3.41 -1.26 -0.19 113.62 110.09 2qao n SER 76 Ca -0.00 1.19 0.01 0.00 -0.26 0.00 0.00 58.87 59.81 2qao n SER 76 Cb 0.02 -0.32 0.28 0.00 -0.26 0.00 0.00 64.21 63.93 2qao n SER 76 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2qao h LYS 77 N 0.00 0.89 0.25 4.33 1.57 -1.94 0.22 116.57 121.89 2qao h LYS 77 Ca 0.07 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.78 2qao h LYS 77 Cb 0.17 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 2qao h LYS 77 CO -0.39 0.59 -0.26 0.35 -0.57 0.00 0.00 179.45 179.18 2qao h PHE 78 N 0.91 -0.72 -0.00 -1.35 -0.00 0.31 0.52 116.94 116.61 2qao h PHE 78 Ca 0.25 0.01 0.00 0.00 -0.00 0.00 0.00 57.97 58.22 2qao h PHE 78 Cb -0.09 0.28 -0.00 0.00 -0.00 0.00 0.00 35.95 36.14 2qao h PHE 78 CO 0.00 -0.34 0.00 0.97 -0.00 0.00 0.00 178.31 178.94 2qao h ILE 79 N -0.51 0.94 0.00 1.41 -0.00 -0.88 0.54 117.51 119.00 2qao h ILE 79 Ca -0.03 0.00 -0.04 0.00 -0.00 0.00 0.00 64.86 64.79 2qao h ILE 79 Cb 0.45 1.00 -0.01 0.00 -0.00 0.00 0.00 36.82 38.26 2qao h ILE 79 CO -0.03 0.00 -0.17 -1.13 -0.00 0.00 0.00 178.15 176.81 2qao h ASN 80 N 0.00 0.00 0.01 2.19 -0.00 0.46 0.26 115.58 118.50 2qao h ASN 80 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 56.30 56.30 2qao h ASN 80 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.33 2qao h ASN 80 CO -0.00 0.17 -0.00 1.23 -0.00 0.00 0.00 177.43 178.83 2qao h GLY 81 N 0.65 -0.01 0.40 1.57 0.00 0.51 -2.23 103.07 103.96 2qao h GLY 81 Ca -0.00 0.00 0.15 0.00 0.00 0.00 0.00 47.33 47.48 2qao h GLY 81 CO 0.02 -0.00 0.66 1.41 0.00 0.00 0.00 176.54 178.63 2qao h LEU 82 N -1.00 0.00 0.00 3.11 3.38 -0.94 1.51 115.31 121.37 2qao h LEU 82 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2qao h LEU 82 Cb 0.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.98 2qao h LEU 82 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 178.44 179.70 2qao n LYS 83 N -3.42 0.00 -0.11 1.13 3.00 0.91 -3.49 118.16 116.17 2qao n LYS 83 Ca 0.10 0.35 0.19 0.00 -0.00 0.00 0.00 58.31 58.95 2qao n LYS 83 Cb 0.84 -1.10 0.60 0.00 0.00 0.00 0.00 35.03 35.37 2qao n LYS 83 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 2qao h LYS 84 N 0.00 0.20 -5.02 1.64 1.57 -0.57 -2.00 116.57 112.39 2qao h LYS 84 Ca 0.00 -0.01 -0.43 0.00 -1.87 0.00 0.00 60.65 58.34 2qao h LYS 84 Cb 0.00 -0.05 0.02 0.00 0.08 0.00 0.00 32.23 32.29 2qao h LYS 84 CO 0.00 0.13 1.36 0.00 -0.57 0.00 0.00 179.45 180.37 2qao n ALA 85 N -2.59 1.91 -3.12 3.86 0.00 0.50 -4.43 120.51 116.64 2qao n ALA 85 Ca 0.14 -2.95 -0.10 0.00 0.00 0.00 0.00 53.44 50.53 2qao n ALA 85 Cb 0.63 -3.55 0.00 0.00 0.00 0.00 0.00 19.45 16.53 2qao n ALA 85 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2qao n SER 86 N 12.19 -1.53 0.00 0.00 7.64 -1.22 -2.63 113.62 128.08 2qao n SER 86 Ca 0.46 -0.35 0.00 0.00 1.01 0.00 0.00 58.87 59.99 2qao n SER 86 Cb 0.44 -0.52 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 2qao n SER 86 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2qao n VAL 87 N -1.43 0.00 -3.20 0.44 0.31 -0.76 -4.76 118.33 108.93 2qao n VAL 87 Ca -0.09 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.10 2qao n VAL 87 Cb 0.22 0.00 0.01 0.00 -0.91 0.00 0.00 33.84 33.16 2qao n VAL 87 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2qao n GLU 88 N 0.00 -1.43 0.00 5.55 0.00 -1.08 -4.24 120.64 119.44 2qao n GLU 88 Ca 0.00 1.38 0.00 0.00 0.00 0.00 0.00 57.16 58.54 2qao n GLU 88 Cb 0.00 -2.33 0.00 0.00 0.00 0.00 0.00 31.44 29.11 2qao n GLU 88 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 2qao n ILE 89 N 0.59 0.00 -1.20 6.31 2.08 -1.26 -4.80 119.36 121.07 2qao n ILE 89 Ca -0.02 0.43 -0.09 0.00 0.56 0.00 0.00 62.75 63.63 2qao n ILE 89 Cb 0.49 -1.37 -0.04 0.00 -0.75 0.00 0.00 39.64 37.97 2qao n ILE 89 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 2qao n ASP 90 N 0.00 -4.99 0.00 4.38 9.92 -1.26 -4.77 116.55 119.84 2qao n ASP 90 Ca 0.00 0.23 0.00 0.00 -0.53 0.00 0.00 54.79 54.49 2qao n ASP 90 Cb 0.00 -3.70 0.00 0.00 -0.64 0.00 0.00 41.12 36.78 2qao n ASP 90 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 2qao n ARG 91 N -0.70 0.00 0.00 -1.24 3.00 -1.26 -3.33 116.66 113.13 2qao n ARG 91 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.76 2qao n ARG 91 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.98 2qao n ARG 91 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2qao n LYS 92 N 9.57 0.57 -0.08 -0.14 5.02 -1.26 -4.67 118.16 127.17 2qao n LYS 92 Ca 0.00 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.06 2qao n LYS 92 Cb 0.00 -0.05 -0.12 0.00 -0.02 0.00 0.00 35.03 34.84 2qao n LYS 92 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 2qao n ILE 93 N 0.00 1.61 0.30 -0.18 3.06 -1.26 -3.75 119.36 119.14 2qao n ILE 93 Ca 0.00 -0.33 0.07 0.00 -2.50 0.00 0.00 62.75 59.99 2qao n ILE 93 Cb 0.00 -1.86 0.32 0.00 0.54 0.00 0.00 39.64 38.63 2qao n ILE 93 CO 0.00 0.00 0.00 0.18 -2.50 0.00 0.00 176.55 174.23 2qao n LEU 94 N -4.00 0.24 -0.54 9.51 7.99 -1.25 -1.74 117.00 127.21 2qao n LEU 94 Ca -0.37 0.58 0.00 0.00 -0.01 0.00 0.00 56.01 56.21 2qao n LEU 94 Cb 0.86 -0.57 0.00 0.00 -0.11 0.00 0.00 43.42 43.60 2qao n LEU 94 CO 0.25 -0.49 0.19 0.00 -1.51 0.00 0.00 177.39 175.83 2qao n ALA 95 N -1.61 2.08 1.25 -1.18 0.00 -1.21 -2.70 120.51 117.15 2qao n ALA 95 Ca 0.02 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.59 2qao n ALA 95 Cb 0.12 -1.00 0.53 0.00 0.00 0.00 0.00 19.45 19.10 2qao n ALA 95 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2qao n ASP 96 N 0.18 0.43 0.00 0.00 5.68 -0.71 -3.38 116.55 118.75 2qao n ASP 96 Ca 0.00 -0.35 0.02 0.00 -0.50 0.00 0.00 54.79 53.96 2qao n ASP 96 Cb 0.19 -0.08 0.08 0.00 -1.14 0.00 0.00 41.12 40.18 2qao n ASP 96 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 2qao n ILE 97 N -1.13 0.79 1.28 2.12 -5.35 -1.10 0.11 119.36 116.08 2qao n ILE 97 Ca 0.11 0.20 0.11 0.00 -0.27 0.00 0.00 62.75 62.90 2qao n ILE 97 Cb 0.30 -1.15 0.40 0.00 -1.74 0.00 0.00 39.64 37.46 2qao n ILE 97 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2qao n ALA 98 N -1.22 2.53 -0.00 -1.28 0.00 -1.22 -3.35 120.51 115.98 2qao n ALA 98 Ca 0.02 -0.50 -0.02 0.00 0.00 0.00 0.00 53.44 52.93 2qao n ALA 98 Cb 0.02 -1.10 -0.01 0.00 0.00 0.00 0.00 19.45 18.36 2qao n ALA 98 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qao n VAL 99 N 0.27 0.88 -3.81 0.00 0.31 0.29 -4.78 118.33 111.50 2qao n VAL 99 Ca 0.16 0.27 -0.32 0.00 -0.01 0.00 0.00 64.34 64.44 2qao n VAL 99 Cb 0.33 -1.63 -0.04 0.00 -0.91 0.00 0.00 33.84 31.58 2qao n VAL 99 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 2qao s PHE 100 N -1.88 3.51 -1.34 3.52 2.99 -1.09 -4.05 117.98 119.64 2qao s PHE 100 Ca -0.07 0.41 -0.08 0.00 0.00 0.00 0.00 56.93 57.19 2qao s PHE 100 Cb 0.01 -1.88 0.01 0.00 0.00 0.00 0.00 43.02 41.16 2qao s PHE 100 CO 0.10 0.54 1.15 -3.47 -0.00 0.00 0.00 175.22 173.55 2qao n ASP 101 N 0.35 -5.75 -0.03 1.36 4.64 -1.26 -4.22 116.55 111.64 2qao n ASP 101 Ca -0.05 -0.56 0.23 0.00 -1.38 0.00 0.00 54.79 53.03 2qao n ASP 101 Cb 0.52 -5.01 0.72 0.00 -1.04 0.00 0.00 41.12 36.31 2qao n ASP 101 CO 0.00 0.00 0.00 0.50 -0.82 0.00 0.00 177.20 176.88 2qao h LYS 102 N -2.58 0.00 -0.64 -0.67 3.64 -1.69 0.74 116.57 115.36 2qao h LYS 102 Ca -0.57 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 58.84 2qao h LYS 102 Cb 1.37 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 33.14 2qao h LYS 102 CO 0.56 0.00 0.39 0.28 -2.27 0.00 0.00 179.45 178.41 2qao h VAL 103 N 0.00 1.07 -2.46 2.00 2.07 -1.87 -3.38 116.25 113.68 2qao h VAL 103 Ca 0.29 -0.26 -0.24 0.00 0.82 0.00 0.00 66.70 67.31 2qao h VAL 103 Cb 1.25 0.24 0.13 0.00 -1.52 0.00 0.00 31.29 31.39 2qao h VAL 103 CO -0.00 0.14 -0.01 0.00 0.02 0.00 0.00 177.57 177.72 2qao n ALA 104 N -2.30 -2.67 0.00 1.67 0.00 0.26 -3.31 120.51 114.15 2qao n ALA 104 Ca 0.06 -1.00 0.00 0.00 0.00 0.00 0.00 53.44 52.51 2qao n ALA 104 Cb 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 19.45 19.46 2qao n ALA 104 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2qao n PHE 105 N -4.35 0.00 0.15 0.00 -0.00 -1.26 -4.43 117.46 107.58 2qao n PHE 105 Ca 0.09 0.00 0.13 0.00 -0.00 0.00 0.00 57.45 57.67 2qao n PHE 105 Cb 0.37 0.00 0.67 0.00 -0.00 0.00 0.00 39.48 40.52 2qao n PHE 105 CO 0.00 0.00 0.00 1.15 -0.00 0.00 0.00 176.76 177.91 2qao h THR 106 N 0.00 0.88 -0.25 -2.13 2.02 -1.74 0.31 112.91 112.00 2qao h THR 106 Ca 0.00 0.00 -0.09 0.00 0.77 0.00 0.00 66.41 67.09 2qao h THR 106 Cb 0.00 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 2qao h THR 106 CO 0.00 0.00 -0.19 0.00 0.37 0.00 0.00 175.52 175.70 2qao h ALA 107 N 1.89 0.36 -0.39 6.16 0.00 -1.77 -2.01 119.26 123.49 2qao h ALA 107 Ca 0.10 -0.35 0.06 0.00 0.00 0.00 0.00 54.91 54.73 2qao h ALA 107 Cb 0.42 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 2qao h ALA 107 CO -0.00 0.29 0.07 -0.07 0.00 0.00 0.00 179.25 179.53 2qao h LEU 108 N 0.29 -0.01 -0.28 0.00 3.38 -0.87 0.48 115.31 118.29 2qao h LEU 108 Ca 0.05 0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.14 2qao h LEU 108 Cb 0.72 0.10 -0.08 0.00 0.09 0.00 0.00 40.66 41.49 2qao h LEU 108 CO 0.05 0.03 -0.41 0.58 0.09 0.00 0.00 178.44 178.78 2qao h VAL 109 N 0.19 0.15 0.15 1.22 2.07 -0.58 0.17 116.25 119.62 2qao h VAL 109 Ca 0.19 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.71 2qao h VAL 109 Cb 0.23 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.14 2qao h VAL 109 CO -0.25 0.00 -0.11 -0.08 0.02 0.00 0.00 177.57 177.14 2qao h GLU 110 N -0.39 -0.26 -0.98 1.57 4.57 -0.59 0.28 114.58 118.78 2qao h GLU 110 Ca 0.11 0.02 0.30 0.00 -1.18 0.00 0.00 59.36 58.61 2qao h GLU 110 Cb 0.59 0.06 -0.15 0.00 -0.16 0.00 0.00 28.75 29.10 2qao h GLU 110 CO -0.49 -0.17 0.51 -0.22 -1.18 0.00 0.00 179.01 177.46 2qao h LYS 111 N -0.27 0.31 -0.00 1.92 1.63 0.87 0.29 116.57 121.32 2qao h LYS 111 Ca -0.01 -0.02 -0.09 0.00 -0.85 0.00 0.00 60.65 59.69 2qao h LYS 111 Cb 0.24 -0.07 0.01 0.00 -0.60 0.00 0.00 32.23 31.81 2qao h LYS 111 CO -0.01 0.21 -0.35 0.00 -3.45 0.00 0.00 179.45 175.85 2qao h ALA 112 N 1.83 0.05 -0.83 5.00 0.00 0.11 -3.07 119.26 122.34 2qao h ALA 112 Ca 0.70 -0.49 0.14 0.00 0.00 0.00 0.00 54.91 55.26 2qao h ALA 112 Cb 1.55 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 19.26 2qao h ALA 112 CO -0.61 0.16 0.42 0.87 0.00 0.00 0.00 179.25 180.09 2qao h LYS 113 N -0.38 0.59 -0.51 0.00 1.57 0.25 -0.38 116.57 117.71 2qao h LYS 113 Ca -0.04 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2qao h LYS 113 Cb 1.09 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 33.24 2qao h LYS 113 CO 0.07 0.39 0.26 0.00 -0.57 0.00 0.00 179.45 179.60 2qao h ALA 114 N 1.55 0.65 -0.31 3.86 0.00 -0.65 0.26 119.26 124.62 2qao h ALA 114 Ca 0.45 -0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.28 2qao h ALA 114 Cb 0.63 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 2qao h ALA 114 CO -0.36 0.19 0.12 0.00 0.00 0.00 0.00 179.25 179.21 2qao h ALA 115 N 1.10 0.37 0.00 0.00 0.00 -1.02 -0.61 119.26 119.10 2qao h ALA 115 Ca 0.18 0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2qao h ALA 115 Cb 0.09 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2qao h ALA 115 CO -0.03 -0.27 -0.17 -0.07 0.00 0.00 0.00 179.25 178.71 2qao h LEU 116 N 0.27 0.00 0.00 0.00 4.07 -0.93 -3.49 115.31 115.22 2qao h LEU 116 Ca 0.14 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.10 2qao h LEU 116 Cb 0.09 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.83 2qao h LEU 116 CO -0.13 0.17 0.00 0.00 -1.08 0.00 0.00 178.44 177.40