#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qo6 h PHE 2 N 0.00 0.48 -3.91 0.00 0.04 -1.99 -3.46 116.94 108.10 2qo6 h PHE 2 Ca 0.00 -0.17 -0.53 0.00 2.80 0.00 0.00 57.97 60.08 2qo6 h PHE 2 Cb 0.00 -0.09 0.08 0.00 2.20 0.00 0.00 35.95 38.14 2qo6 h PHE 2 CO 0.00 0.84 0.68 -1.12 -0.60 0.00 0.00 178.31 178.10 2qo6 s SER 3 N -6.90 6.59 0.00 2.17 0.01 -1.26 -4.67 113.70 109.65 2qo6 s SER 3 Ca -0.06 2.79 0.00 0.00 1.31 0.00 0.00 55.95 60.00 2qo6 s SER 3 Cb 0.12 -2.65 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2qo6 s SER 3 CO 0.81 -0.67 0.00 0.61 0.41 0.00 0.00 173.24 174.40 2qo6 n GLY 4 N 0.68 0.75 3.50 3.44 0.00 -0.10 -4.96 105.19 108.50 2qo6 n GLY 4 Ca 0.01 -2.04 -0.34 0.00 0.00 0.00 0.00 46.02 43.65 2qo6 n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qo6 s THR 5 N -1.34 3.88 -0.00 2.61 2.01 -1.26 -0.73 115.64 120.80 2qo6 s THR 5 Ca 0.00 -0.36 0.06 0.00 0.31 0.00 0.00 61.69 61.70 2qo6 s THR 5 Cb 0.00 -2.70 -0.02 0.00 0.01 0.00 0.00 72.50 69.80 2qo6 s THR 5 CO 0.00 0.50 -0.20 0.26 -0.69 0.00 0.00 174.62 174.49 2qo6 s TRP 6 N 0.33 1.75 -0.22 4.92 0.52 0.87 -0.12 118.94 126.99 2qo6 s TRP 6 Ca -0.04 -0.34 0.02 0.00 0.02 0.00 0.00 56.10 55.76 2qo6 s TRP 6 Cb -0.14 -1.10 0.04 0.00 -1.15 0.00 0.00 33.47 31.11 2qo6 s TRP 6 CO 0.03 -0.00 -0.15 -1.14 0.02 0.00 0.00 176.95 175.71 2qo6 s GLN 7 N -0.64 2.66 0.18 4.98 2.00 0.46 -0.43 119.66 128.87 2qo6 s GLN 7 Ca 0.07 -1.06 -0.33 0.00 -2.00 0.00 0.00 55.36 52.04 2qo6 s GLN 7 Cb -0.08 -2.74 -0.14 0.00 0.80 0.00 0.00 33.01 30.86 2qo6 s GLN 7 CO -0.00 -0.38 1.57 0.28 -0.50 0.00 0.00 175.29 176.26 2qo6 n VAL 8 N 4.54 0.17 0.00 1.34 0.31 -0.57 -0.30 118.33 123.83 2qo6 n VAL 8 Ca -0.18 -0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.11 2qo6 n VAL 8 Cb 0.46 -1.58 0.00 0.00 -0.91 0.00 0.00 33.84 31.81 2qo6 n VAL 8 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qo6 n TYR 9 N 3.20 0.00 -4.16 3.52 0.18 -0.35 -4.70 117.16 114.85 2qo6 n TYR 9 Ca 0.16 0.00 -0.17 0.00 1.88 0.00 0.00 57.90 59.76 2qo6 n TYR 9 Cb 0.30 0.00 -0.15 0.00 -0.38 0.00 0.00 39.34 39.11 2qo6 n TYR 9 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2qo6 s ALA 10 N -0.83 0.52 0.01 -3.48 0.00 -1.10 -5.02 121.76 111.86 2qo6 s ALA 10 Ca 0.00 -0.14 0.01 0.00 0.00 0.00 0.00 51.96 51.83 2qo6 s ALA 10 Cb 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 23.12 22.88 2qo6 s ALA 10 CO 0.00 0.06 -0.04 -0.65 0.00 0.00 0.00 175.76 175.14 2qo6 s GLN 11 N 0.29 0.28 -0.08 0.00 -0.21 -1.26 -0.62 119.66 118.05 2qo6 s GLN 11 Ca -0.03 -0.24 0.03 0.00 0.02 0.00 0.00 55.36 55.13 2qo6 s GLN 11 Cb -0.07 -0.19 0.01 0.00 1.00 0.00 0.00 33.01 33.75 2qo6 s GLN 11 CO -0.00 0.05 -0.16 -2.00 -2.12 0.00 0.00 175.29 171.06 2qo6 s GLU 12 N -0.42 2.14 -1.63 2.91 2.12 0.15 -4.78 118.70 119.19 2qo6 s GLU 12 Ca -0.02 -0.56 -0.02 0.00 0.36 0.00 0.00 54.97 54.73 2qo6 s GLU 12 Cb -0.03 -1.72 0.00 0.00 0.26 0.00 0.00 34.13 32.64 2qo6 s GLU 12 CO -0.00 0.05 0.23 0.09 -0.54 0.00 0.00 175.26 175.10 2qo6 n ASN 13 N 3.80 -5.84 0.38 -1.70 3.02 -1.26 -1.06 115.26 112.60 2qo6 n ASN 13 Ca -0.21 -0.12 -0.19 0.00 -0.03 0.00 0.00 54.58 54.03 2qo6 n ASN 13 Cb 0.52 -4.78 -0.09 0.00 -0.61 0.00 0.00 39.78 34.82 2qo6 n ASN 13 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 2qo6 h TYR 14 N -0.54 -1.21 -0.11 3.10 3.20 -1.90 -0.64 116.97 118.88 2qo6 h TYR 14 Ca -0.49 -0.01 -0.13 0.00 3.14 0.00 0.00 58.73 61.24 2qo6 h TYR 14 Cb 1.35 0.44 -0.01 0.00 1.54 0.00 0.00 36.73 40.05 2qo6 h TYR 14 CO 0.52 -0.67 -0.50 0.93 -1.64 0.00 0.00 178.16 176.81 2qo6 h GLU 15 N -1.08 0.30 -0.36 1.82 5.08 -1.98 -1.97 114.58 116.40 2qo6 h GLU 15 Ca -0.09 -0.17 0.02 0.00 -1.00 0.00 0.00 59.36 58.13 2qo6 h GLU 15 Cb 0.88 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 30.11 2qo6 h GLU 15 CO 0.07 0.73 0.19 1.49 -1.00 0.00 0.00 179.01 180.48 2qo6 h GLU 16 N 0.24 0.37 -0.33 2.33 4.81 -1.96 -1.17 114.58 118.87 2qo6 h GLU 16 Ca 0.01 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2qo6 h GLU 16 Cb 0.96 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.24 2qo6 h GLU 16 CO 0.08 0.25 0.16 0.35 -0.73 0.00 0.00 179.01 179.12 2qo6 h PHE 17 N 0.38 0.48 -0.79 0.92 3.57 -0.85 -0.84 116.94 119.80 2qo6 h PHE 17 Ca 0.15 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.70 2qo6 h PHE 17 Cb 0.05 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 38.58 2qo6 h PHE 17 CO -0.09 0.41 0.47 -0.07 -2.23 0.00 0.00 178.31 176.80 2qo6 h LEU 18 N 0.40 0.71 -0.73 0.59 3.38 -1.22 -1.26 115.31 117.18 2qo6 h LEU 18 Ca 0.11 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 58.05 2qo6 h LEU 18 Cb 0.11 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2qo6 h LEU 18 CO -0.01 0.44 0.21 0.03 0.09 0.00 0.00 178.44 179.20 2qo6 h ARG 19 N 0.84 1.15 0.00 1.13 3.08 -0.94 -0.99 114.38 118.64 2qo6 h ARG 19 Ca 0.36 -0.26 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 2qo6 h ARG 19 Cb 0.23 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 2qo6 h ARG 19 CO -0.20 0.99 -0.14 0.00 -1.07 0.00 0.00 179.97 179.56 2qo6 h ALA 20 N 1.11 1.47 -0.63 0.04 0.00 -0.09 -0.75 119.26 120.41 2qo6 h ALA 20 Ca 0.23 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2qo6 h ALA 20 Cb 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2qo6 h ALA 20 CO -0.00 0.18 0.00 0.44 0.00 0.00 0.00 179.25 179.86 2qo6 n ILE 21 N -3.94 1.42 -3.11 0.00 -5.35 -0.58 -4.97 119.36 102.82 2qo6 n ILE 21 Ca -0.02 -1.12 -0.22 0.00 -0.27 0.00 0.00 62.75 61.11 2qo6 n ILE 21 Cb 0.23 0.31 0.04 0.00 -1.74 0.00 0.00 39.64 38.48 2qo6 n ILE 21 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 2qo6 n SER 22 N 1.19 -6.09 -4.69 7.28 7.64 -0.29 -4.99 113.62 113.67 2qo6 n SER 22 Ca 0.23 -0.33 -0.42 0.00 1.01 0.00 0.00 58.87 59.36 2qo6 n SER 22 Cb 0.73 -4.86 -0.03 0.00 -1.01 0.00 0.00 64.21 59.03 2qo6 n SER 22 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2qo6 s LEU 23 N -6.63 4.33 0.38 -3.43 2.96 -0.42 -4.96 118.68 110.91 2qo6 s LEU 23 Ca 0.35 2.15 -0.26 0.00 -0.22 0.00 0.00 54.13 56.15 2qo6 s LEU 23 Cb -0.15 -3.57 -0.12 0.00 0.50 0.00 0.00 46.19 42.85 2qo6 s LEU 23 CO 0.43 -0.69 1.07 -2.65 -1.32 0.00 0.00 176.35 173.19 2qo6 n PRO 24 N 5.03 1.50 -0.23 0.98 -0.02 -1.26 -4.60 135.00 136.41 2qo6 n PRO 24 Ca 0.13 0.53 0.07 0.00 -2.02 0.00 0.00 63.50 62.21 2qo6 n PRO 24 Cb 0.43 -2.06 0.33 0.00 -0.02 0.00 0.00 33.50 32.19 2qo6 n PRO 24 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2qo6 h GLU 25 N 1.82 0.78 -0.06 -0.52 4.57 -1.98 -0.51 114.58 118.68 2qo6 h GLU 25 Ca -0.44 -0.05 -0.08 0.00 -1.18 0.00 0.00 59.36 57.62 2qo6 h GLU 25 Cb 1.33 -0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.73 2qo6 h GLU 25 CO 0.59 0.51 -0.32 1.05 -1.18 0.00 0.00 179.01 179.66 2qo6 h GLU 26 N 0.80 0.11 -0.05 1.92 9.09 -2.00 -1.38 114.58 123.08 2qo6 h GLU 26 Ca 0.36 -0.04 -0.03 0.00 0.05 0.00 0.00 59.36 59.69 2qo6 h GLU 26 Cb 0.34 -0.01 0.00 0.00 -1.65 0.00 0.00 28.75 27.43 2qo6 h GLU 26 CO -0.13 0.42 -0.11 0.28 0.05 0.00 0.00 179.01 179.52 2qo6 h VAL 27 N 0.10 1.44 -0.53 -1.06 2.07 -1.48 -2.10 116.25 114.69 2qo6 h VAL 27 Ca 0.01 -1.46 0.09 0.00 0.82 0.00 0.00 66.70 66.16 2qo6 h VAL 27 Cb 0.61 2.29 -0.10 0.00 -1.52 0.00 0.00 31.29 32.58 2qo6 h VAL 27 CO 0.04 0.40 -0.41 0.40 0.02 0.00 0.00 177.57 178.03 2qo6 h ILE 28 N -0.37 0.11 -0.62 4.57 2.04 -1.10 -0.71 117.51 121.43 2qo6 h ILE 28 Ca -0.00 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.80 2qo6 h ILE 28 Cb 0.70 0.11 -0.03 0.00 -0.74 0.00 0.00 36.82 36.87 2qo6 h ILE 28 CO 0.02 0.00 0.15 0.07 0.00 0.00 0.00 178.15 178.40 2qo6 h LYS 29 N -0.24 0.96 -0.25 2.37 2.10 -1.28 -0.21 116.57 120.02 2qo6 h LYS 29 Ca 0.18 -0.21 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2qo6 h LYS 29 Cb 0.56 -0.14 -0.01 0.00 -0.90 0.00 0.00 32.23 31.74 2qo6 h LYS 29 CO -0.65 0.85 0.16 -0.07 -2.00 0.00 0.00 179.45 177.74 2qo6 h LEU 30 N 0.92 0.28 -2.63 7.07 3.38 -0.81 -2.69 115.31 120.83 2qo6 h LEU 30 Ca 0.20 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.16 2qo6 h LEU 30 Cb 0.32 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2qo6 h LEU 30 CO -0.00 0.20 0.00 0.00 0.09 0.00 0.00 178.44 178.73 2qo6 n ALA 31 N -2.50 2.34 -0.26 1.53 0.00 -0.32 -4.68 120.51 116.62 2qo6 n ALA 31 Ca 0.01 -1.17 0.09 0.00 0.00 0.00 0.00 53.44 52.37 2qo6 n ALA 31 Cb 0.08 -0.78 0.34 0.00 0.00 0.00 0.00 19.45 19.09 2qo6 n ALA 31 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2qo6 h LYS 32 N 3.75 0.76 -0.47 0.00 2.10 -0.71 -2.35 116.57 119.66 2qo6 h LYS 32 Ca 0.00 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 2qo6 h LYS 32 Cb 0.91 -0.17 0.00 0.00 -0.90 0.00 0.00 32.23 32.07 2qo6 h LYS 32 CO 0.00 0.51 0.00 -0.25 -2.00 0.00 0.00 179.45 177.71 2qo6 n ASP 33 N -4.53 3.31 -4.70 7.07 8.00 -1.26 -4.97 116.55 119.47 2qo6 n ASP 33 Ca 0.15 -2.04 -0.42 0.00 0.71 0.00 0.00 54.79 53.19 2qo6 n ASP 33 Cb 0.35 -0.33 -0.03 0.00 -0.02 0.00 0.00 41.12 41.10 2qo6 n ASP 33 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2qo6 s VAL 34 N -1.07 3.42 -0.46 2.53 1.01 -0.89 -4.98 120.40 119.95 2qo6 s VAL 34 Ca 0.32 0.90 0.04 0.00 0.00 0.00 0.00 61.98 63.23 2qo6 s VAL 34 Cb 0.17 -3.58 0.12 0.00 0.00 0.00 0.00 36.38 33.10 2qo6 s VAL 34 CO 0.21 0.02 0.19 -0.54 0.00 0.00 0.00 175.10 174.98 2qo6 s LYS 35 N 2.06 1.77 0.69 2.72 -0.14 -1.26 -5.10 119.74 120.48 2qo6 s LYS 35 Ca 0.66 -2.34 -0.17 0.00 -1.36 0.00 0.00 55.97 52.77 2qo6 s LYS 35 Cb -0.35 -3.21 0.01 0.00 -1.68 0.00 0.00 37.83 32.60 2qo6 s LYS 35 CO 0.29 -1.06 1.17 -2.30 -0.76 0.00 0.00 175.35 172.69 2qo6 n PRO 36 N 3.50 0.76 -4.32 -1.68 -0.02 -1.26 -4.65 135.00 127.33 2qo6 n PRO 36 Ca 0.05 0.32 -0.35 0.00 -2.02 0.00 0.00 63.50 61.50 2qo6 n PRO 36 Cb 0.35 -2.40 -0.10 0.00 -0.02 0.00 0.00 33.50 31.33 2qo6 n PRO 36 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2qo6 s VAL 37 N -1.64 4.28 -0.15 -1.45 1.01 -0.64 -1.51 120.40 120.30 2qo6 s VAL 37 Ca 0.78 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.53 2qo6 s VAL 37 Cb -0.36 -2.84 0.02 0.00 0.00 0.00 0.00 36.38 33.20 2qo6 s VAL 37 CO 0.45 0.55 -0.15 -0.89 0.00 0.00 0.00 175.10 175.07 2qo6 s THR 38 N -0.36 1.62 -0.21 3.92 2.01 0.42 0.12 115.64 123.17 2qo6 s THR 38 Ca 0.07 -0.67 -0.09 0.00 0.31 0.00 0.00 61.69 61.31 2qo6 s THR 38 Cb -0.12 -1.51 -0.05 0.00 0.01 0.00 0.00 72.50 70.84 2qo6 s THR 38 CO 0.02 0.47 0.11 -1.61 -0.69 0.00 0.00 174.62 172.91 2qo6 s GLU 39 N 1.40 4.05 -0.09 4.92 2.02 0.51 -0.09 118.70 131.41 2qo6 s GLU 39 Ca 0.03 -0.30 0.03 0.00 0.02 0.00 0.00 54.97 54.76 2qo6 s GLU 39 Cb -0.13 -3.36 0.01 0.00 0.10 0.00 0.00 34.13 30.74 2qo6 s GLU 39 CO -0.10 0.20 -0.19 0.42 0.02 0.00 0.00 175.26 175.62 2qo6 s ILE 40 N 0.60 1.69 -0.25 -1.63 1.01 0.09 -0.71 121.20 122.01 2qo6 s ILE 40 Ca 0.06 -0.80 -0.02 0.00 0.00 0.00 0.00 60.65 59.90 2qo6 s ILE 40 Cb -0.12 -1.49 0.03 0.00 0.01 0.00 0.00 42.46 40.88 2qo6 s ILE 40 CO 0.01 0.48 -0.06 -1.10 0.00 0.00 0.00 174.94 174.26 2qo6 s GLN 41 N 0.56 2.83 -0.15 2.79 -0.21 -0.12 -0.92 119.66 124.44 2qo6 s GLN 41 Ca -0.15 -0.98 -0.02 0.00 0.02 0.00 0.00 55.36 54.22 2qo6 s GLN 41 Cb -0.17 -2.98 -0.02 0.00 1.00 0.00 0.00 33.01 30.84 2qo6 s GLN 41 CO 0.05 -0.40 -0.07 -1.14 -2.12 0.00 0.00 175.29 171.61 2qo6 s GLN 42 N 1.32 3.56 -0.43 2.91 0.74 -1.26 -1.26 119.66 125.23 2qo6 s GLN 42 Ca 0.00 -0.59 0.02 0.00 0.05 0.00 0.00 55.36 54.84 2qo6 s GLN 42 Cb -0.17 -2.81 0.13 0.00 1.10 0.00 0.00 33.01 31.27 2qo6 s GLN 42 CO -0.05 0.22 0.22 -0.80 -0.55 0.00 0.00 175.29 174.34 2qo6 s ASN 43 N 0.38 3.66 1.85 6.67 0.01 -0.23 -4.97 114.94 122.31 2qo6 s ASN 43 Ca -0.07 -2.53 0.00 0.00 -0.71 0.00 0.00 52.86 49.55 2qo6 s ASN 43 Cb -0.15 -1.00 0.00 0.00 0.41 0.00 0.00 41.25 40.51 2qo6 s ASN 43 CO 0.04 -0.28 0.00 0.61 -1.51 0.00 0.00 177.10 175.96 2qo6 n GLY 44 N 3.67 3.07 0.01 0.66 0.00 -1.26 -1.58 105.19 109.76 2qo6 n GLY 44 Ca 0.08 0.27 0.14 0.00 0.00 0.00 0.00 46.02 46.51 2qo6 n GLY 44 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2qo6 n SER 45 N 9.67 0.16 -4.75 1.61 7.64 -1.26 -4.84 113.62 121.84 2qo6 n SER 45 Ca 0.00 0.41 -0.37 0.00 1.01 0.00 0.00 58.87 59.92 2qo6 n SER 45 Cb 0.00 -0.43 -0.06 0.00 -1.01 0.00 0.00 64.21 62.70 2qo6 n SER 45 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2qo6 s ASP 46 N -3.18 6.64 -0.04 6.43 -0.00 -0.62 -1.38 116.67 124.53 2qo6 s ASP 46 Ca 0.13 0.76 0.03 0.00 -0.00 0.00 0.00 52.55 53.48 2qo6 s ASP 46 Cb 0.18 -2.25 0.00 0.00 -0.00 0.00 0.00 42.92 40.86 2qo6 s ASP 46 CO 0.56 0.12 -0.13 -0.36 -0.00 0.00 0.00 175.17 175.36 2qo6 s PHE 47 N 0.12 1.31 -0.12 4.23 0.40 0.77 -1.07 117.98 123.63 2qo6 s PHE 47 Ca 0.23 -0.37 0.03 0.00 -0.60 0.00 0.00 56.93 56.22 2qo6 s PHE 47 Cb -0.15 -0.91 0.01 0.00 0.51 0.00 0.00 43.02 42.48 2qo6 s PHE 47 CO 0.09 -0.14 -0.21 0.99 0.70 0.00 0.00 175.22 176.65 2qo6 s THR 48 N 0.18 1.93 -0.09 0.64 2.01 -0.39 -0.98 115.64 118.94 2qo6 s THR 48 Ca -0.04 -0.92 0.00 0.00 0.31 0.00 0.00 61.69 61.04 2qo6 s THR 48 Cb -0.10 -1.70 0.02 0.00 0.01 0.00 0.00 72.50 70.73 2qo6 s THR 48 CO 0.01 0.53 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.77 2qo6 s ILE 49 N 0.68 0.93 -0.23 1.82 1.01 0.11 -0.94 121.20 124.58 2qo6 s ILE 49 Ca -0.11 -0.27 -0.06 0.00 0.00 0.00 0.00 60.65 60.21 2qo6 s ILE 49 Cb -0.16 -0.94 -0.02 0.00 0.01 0.00 0.00 42.46 41.34 2qo6 s ILE 49 CO 0.02 0.34 0.03 -0.89 0.00 0.00 0.00 174.94 174.44 2qo6 s THR 50 N 1.45 4.00 -0.15 2.92 2.01 0.12 -0.00 115.64 125.98 2qo6 s THR 50 Ca -0.01 -0.28 -0.05 0.00 0.31 0.00 0.00 61.69 61.66 2qo6 s THR 50 Cb -0.13 -2.85 -0.04 0.00 0.01 0.00 0.00 72.50 69.49 2qo6 s THR 50 CO -0.05 0.38 0.04 -0.44 -0.69 0.00 0.00 174.62 173.86 2qo6 s SER 51 N 1.48 5.47 -0.08 3.53 0.01 0.07 -0.36 113.70 123.81 2qo6 s SER 51 Ca 0.05 0.10 0.04 0.00 1.31 0.00 0.00 55.95 57.45 2qo6 s SER 51 Cb -0.15 -1.82 0.00 0.00 0.21 0.00 0.00 66.02 64.27 2qo6 s SER 51 CO 0.01 0.25 -0.19 -0.54 0.41 0.00 0.00 173.24 173.18 2qo6 s LYS 52 N -0.10 2.42 0.30 12.44 1.02 0.12 -1.16 119.74 134.78 2qo6 s LYS 52 Ca 0.06 -0.69 0.03 0.00 0.02 0.00 0.00 55.97 55.39 2qo6 s LYS 52 Cb -0.12 -1.90 -0.06 0.00 -0.52 0.00 0.00 37.83 35.23 2qo6 s LYS 52 CO 0.01 0.14 0.08 0.95 -0.92 0.00 0.00 175.35 175.61 2qo6 s THR 53 N 0.40 0.92 -0.42 2.17 -4.23 0.04 -1.61 115.64 112.91 2qo6 s THR 53 Ca -0.15 -2.00 -0.42 0.00 -1.18 0.00 0.00 61.69 57.94 2qo6 s THR 53 Cb -0.16 -2.73 -0.17 0.00 1.34 0.00 0.00 72.50 70.78 2qo6 s THR 53 CO 0.06 0.00 1.93 -2.65 -0.54 0.00 0.00 174.62 173.43 2qo6 n PRO 54 N -0.60 0.49 -0.36 3.99 -0.02 -1.26 -0.80 135.00 136.44 2qo6 n PRO 54 Ca -0.01 0.16 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 2qo6 n PRO 54 Cb 0.66 -1.83 0.00 0.00 -0.02 0.00 0.00 33.50 32.31 2qo6 n PRO 54 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2qo6 n ARG 55 N 6.35 0.00 -4.69 -0.52 1.74 -1.26 -4.98 116.66 113.29 2qo6 n ARG 55 Ca 0.40 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 57.25 2qo6 n ARG 55 Cb 0.05 -2.08 -0.15 0.00 -1.02 0.00 0.00 32.46 29.26 2qo6 n ARG 55 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2qo6 s LYS 56 N -0.03 1.25 -0.02 5.56 1.02 0.02 -5.13 119.74 122.41 2qo6 s LYS 56 Ca 0.00 -0.60 0.03 0.00 0.02 0.00 0.00 55.97 55.41 2qo6 s LYS 56 Cb 0.00 -1.22 -0.00 0.00 -0.52 0.00 0.00 37.83 36.09 2qo6 s LYS 56 CO 0.00 0.33 -0.09 0.95 -0.92 0.00 0.00 175.35 175.62 2qo6 s THR 57 N -0.44 0.72 -0.08 2.17 -4.23 -1.26 -0.78 115.64 111.74 2qo6 s THR 57 Ca 0.06 -0.36 -0.00 0.00 -1.18 0.00 0.00 61.69 60.21 2qo6 s THR 57 Cb -0.06 -0.63 0.02 0.00 1.34 0.00 0.00 72.50 73.17 2qo6 s THR 57 CO -0.00 0.22 -0.05 -0.69 -0.54 0.00 0.00 174.62 173.56 2qo6 s VAL 58 N 0.02 0.72 -0.19 2.29 1.01 -0.30 -4.99 120.40 118.96 2qo6 s VAL 58 Ca -0.00 -0.14 -0.07 0.00 0.00 0.00 0.00 61.98 61.77 2qo6 s VAL 58 Cb -0.06 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.51 2qo6 s VAL 58 CO 0.00 0.30 0.06 -0.89 0.00 0.00 0.00 175.10 174.57 2qo6 s THR 59 N 1.49 4.63 0.06 3.92 2.01 -1.26 -0.76 115.64 125.73 2qo6 s THR 59 Ca -0.01 -0.09 0.08 0.00 0.31 0.00 0.00 61.69 61.98 2qo6 s THR 59 Cb -0.13 -3.10 -0.03 0.00 0.01 0.00 0.00 72.50 69.25 2qo6 s THR 59 CO -0.04 0.44 -0.21 0.20 -0.69 0.00 0.00 174.62 174.32 2qo6 s ASN 60 N 0.59 2.55 0.01 3.53 0.01 0.99 -4.93 114.94 117.70 2qo6 s ASN 60 Ca 0.03 -0.56 0.04 0.00 -0.71 0.00 0.00 52.86 51.66 2qo6 s ASN 60 Cb -0.13 -0.20 -0.02 0.00 0.41 0.00 0.00 41.25 41.32 2qo6 s ASN 60 CO 0.01 0.15 -0.14 -0.44 -1.51 0.00 0.00 177.10 175.18 2qo6 s SER 61 N -1.34 1.59 0.13 -1.22 0.01 -1.26 0.10 113.70 111.71 2qo6 s SER 61 Ca 0.08 -0.34 -0.10 0.00 1.31 0.00 0.00 55.95 56.89 2qo6 s SER 61 Cb -0.09 -0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.00 2qo6 s SER 61 CO 0.02 0.10 0.28 0.72 0.41 0.00 0.00 173.24 174.77 2qo6 s PHE 62 N -0.57 0.21 -0.09 2.43 -0.71 -0.15 -4.83 117.98 114.27 2qo6 s PHE 62 Ca 0.03 -0.59 0.03 0.00 -1.04 0.00 0.00 56.93 55.37 2qo6 s PHE 62 Cb -0.06 0.01 0.00 0.00 -1.21 0.00 0.00 43.02 41.76 2qo6 s PHE 62 CO 0.00 -0.67 -0.21 0.99 -1.34 0.00 0.00 175.22 173.99 2qo6 s THR 63 N -3.91 1.84 -0.10 -4.49 2.01 -1.26 -0.16 115.64 109.57 2qo6 s THR 63 Ca 0.11 -0.89 -0.39 0.00 0.31 0.00 0.00 61.69 60.83 2qo6 s THR 63 Cb 0.03 -1.61 -0.17 0.00 0.01 0.00 0.00 72.50 70.77 2qo6 s THR 63 CO -0.05 0.51 1.47 -0.38 -0.69 0.00 0.00 174.62 175.48 2qo6 n ILE 64 N 3.62 0.11 0.00 1.82 2.08 -0.48 -1.86 119.36 124.66 2qo6 n ILE 64 Ca -0.20 -0.02 0.00 0.00 0.56 0.00 0.00 62.75 63.09 2qo6 n ILE 64 Cb 0.53 -0.84 0.00 0.00 -0.75 0.00 0.00 39.64 38.58 2qo6 n ILE 64 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2qo6 n GLY 65 N 3.12 1.40 3.40 7.39 0.00 -0.28 -5.01 105.19 115.21 2qo6 n GLY 65 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 2qo6 n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qo6 s LYS 66 N -0.68 2.99 0.30 1.61 1.02 -0.77 -4.96 119.74 119.25 2qo6 s LYS 66 Ca 0.00 -0.71 -0.30 0.00 0.02 0.00 0.00 55.97 54.98 2qo6 s LYS 66 Cb 0.00 -2.50 -0.12 0.00 -0.52 0.00 0.00 37.83 34.70 2qo6 s LYS 66 CO 0.00 0.38 1.58 -1.91 -0.92 0.00 0.00 175.35 174.48 2qo6 n GLU 67 N 3.02 2.67 -4.47 1.68 2.13 -1.26 -4.37 120.64 120.05 2qo6 n GLU 67 Ca -0.18 0.95 -0.29 0.00 0.66 0.00 0.00 57.16 58.30 2qo6 n GLU 67 Cb 0.52 -2.72 -0.13 0.00 0.27 0.00 0.00 31.44 29.38 2qo6 n GLU 67 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2qo6 s ALA 68 N -0.15 2.37 -0.30 4.31 0.00 0.18 -4.95 121.76 123.22 2qo6 s ALA 68 Ca 0.63 -1.43 -0.12 0.00 0.00 0.00 0.00 51.96 51.04 2qo6 s ALA 68 Cb -0.50 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.18 2qo6 s ALA 68 CO 0.50 0.54 0.21 -2.00 0.00 0.00 0.00 175.76 175.02 2qo6 s GLU 69 N -1.93 3.83 -0.17 0.00 2.12 -1.26 -2.01 118.70 119.27 2qo6 s GLU 69 Ca 0.14 -0.40 -0.04 0.00 0.36 0.00 0.00 54.97 55.03 2qo6 s GLU 69 Cb -0.10 -3.70 -0.03 0.00 0.26 0.00 0.00 34.13 30.56 2qo6 s GLU 69 CO 0.05 -0.26 -0.03 0.42 -0.54 0.00 0.00 175.26 174.91 2qo6 s ILE 70 N 1.76 3.86 -0.18 -3.70 1.01 0.69 -4.88 121.20 119.77 2qo6 s ILE 70 Ca 0.07 -0.36 -0.12 0.00 0.00 0.00 0.00 60.65 60.24 2qo6 s ILE 70 Cb -0.16 -2.71 -0.05 0.00 0.01 0.00 0.00 42.46 39.55 2qo6 s ILE 70 CO 0.11 0.47 0.23 -0.89 0.00 0.00 0.00 174.94 174.86 2qo6 s THR 71 N 0.60 5.35 0.92 2.92 2.01 -1.26 -1.21 115.64 124.97 2qo6 s THR 71 Ca -0.02 0.40 -0.14 0.00 0.31 0.00 0.00 61.69 62.24 2qo6 s THR 71 Cb -0.14 -3.56 0.15 0.00 0.01 0.00 0.00 72.50 68.96 2qo6 s THR 71 CO 0.02 0.41 1.21 0.42 -0.69 0.00 0.00 174.62 175.99 2qo6 s THR 72 N 0.41 1.96 0.30 -0.82 -4.23 0.42 -4.93 115.64 108.76 2qo6 s THR 72 Ca 0.13 0.00 0.23 0.00 -1.18 0.00 0.00 61.69 60.87 2qo6 s THR 72 Cb -0.12 -2.89 0.22 0.00 1.34 0.00 0.00 72.50 71.05 2qo6 s THR 72 CO 0.01 0.00 1.92 0.24 -0.54 0.00 0.00 174.62 176.26 2qo6 h MET 73 N -1.51 0.00 -0.58 3.99 2.86 -1.97 -2.33 114.93 115.39 2qo6 h MET 73 Ca -0.47 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.06 2qo6 h MET 73 Cb 1.30 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.89 2qo6 h MET 73 CO 0.53 0.22 0.12 -0.40 1.06 0.00 0.00 176.91 178.44 2qo6 n ASP 74 N -3.63 4.78 -0.07 1.22 5.75 -1.26 -4.97 116.55 118.37 2qo6 n ASP 74 Ca -0.01 -3.14 -0.01 0.00 -0.01 0.00 0.00 54.79 51.62 2qo6 n ASP 74 Cb 0.35 -0.69 -0.00 0.00 -1.03 0.00 0.00 41.12 39.75 2qo6 n ASP 74 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2qo6 n GLY 75 N -0.07 0.46 3.88 6.12 0.00 -0.88 -5.05 105.19 109.66 2qo6 n GLY 75 Ca 0.33 -0.84 -0.32 0.00 0.00 0.00 0.00 46.02 45.19 2qo6 n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qo6 s LYS 76 N -1.71 3.75 -0.13 1.61 -0.14 -1.26 -4.81 119.74 117.06 2qo6 s LYS 76 Ca 0.00 0.17 -0.00 0.00 -1.36 0.00 0.00 55.97 54.77 2qo6 s LYS 76 Cb 0.00 -2.75 -0.02 0.00 -1.68 0.00 0.00 37.83 33.39 2qo6 s LYS 76 CO 0.00 0.39 -0.12 0.15 -0.76 0.00 0.00 175.35 175.01 2qo6 s LYS 77 N -2.66 3.35 -0.01 1.68 1.02 -1.26 -0.44 119.74 121.42 2qo6 s LYS 77 Ca 0.44 -0.66 0.02 0.00 0.02 0.00 0.00 55.97 55.79 2qo6 s LYS 77 Cb -0.12 -2.65 -0.00 0.00 -0.52 0.00 0.00 37.83 34.54 2qo6 s LYS 77 CO 0.22 0.26 -0.07 -0.51 -0.92 0.00 0.00 175.35 174.32 2qo6 s LEU 78 N 0.24 1.92 -0.08 3.17 1.43 -0.35 -4.96 118.68 120.06 2qo6 s LEU 78 Ca -0.08 -0.14 -0.02 0.00 -1.03 0.00 0.00 54.13 52.86 2qo6 s LEU 78 Cb -0.15 -0.42 -0.03 0.00 0.03 0.00 0.00 46.19 45.62 2qo6 s LEU 78 CO 0.05 0.08 0.03 -0.54 0.23 0.00 0.00 176.35 176.19 2qo6 s LYS 79 N -0.03 3.04 0.07 1.70 1.02 -1.26 -0.22 119.74 124.06 2qo6 s LYS 79 Ca 0.01 -0.39 -0.24 0.00 0.02 0.00 0.00 55.97 55.37 2qo6 s LYS 79 Cb -0.05 -2.85 0.06 0.00 -0.52 0.00 0.00 37.83 34.48 2qo6 s LYS 79 CO -0.00 0.70 0.58 0.00 -0.92 0.00 0.00 175.35 175.72 2qo6 s ILE 81 N -2.64 4.92 -0.05 0.00 1.01 -1.26 -0.65 121.20 122.53 2qo6 s ILE 81 Ca -0.04 1.34 -0.30 0.00 0.00 0.00 0.00 60.65 61.65 2qo6 s ILE 81 Cb -0.01 -4.02 -0.03 0.00 0.01 0.00 0.00 42.46 38.42 2qo6 s ILE 81 CO -0.03 -0.02 1.09 -0.69 0.00 0.00 0.00 174.94 175.29 2qo6 s VAL 82 N 2.64 4.53 0.31 2.92 1.01 -1.26 -4.51 120.40 126.04 2qo6 s VAL 82 Ca 0.30 1.82 0.11 0.00 0.00 0.00 0.00 61.98 64.21 2qo6 s VAL 82 Cb -0.15 -4.17 -0.05 0.00 0.00 0.00 0.00 36.38 32.00 2qo6 s VAL 82 CO 0.08 0.05 -0.12 -0.54 0.00 0.00 0.00 175.10 174.56 2qo6 s LYS 83 N 1.76 1.82 -0.17 2.72 1.02 -0.03 -1.12 119.74 125.75 2qo6 s LYS 83 Ca 0.53 -1.80 -0.09 0.00 0.02 0.00 0.00 55.97 54.63 2qo6 s LYS 83 Cb -0.22 -1.80 -0.05 0.00 -0.52 0.00 0.00 37.83 35.24 2qo6 s LYS 83 CO 0.23 0.25 0.14 -0.51 -0.92 0.00 0.00 175.35 174.53 2qo6 s LEU 84 N -3.58 4.28 -0.35 3.17 2.01 -1.26 -0.66 118.68 122.29 2qo6 s LEU 84 Ca 0.32 0.33 -0.00 0.00 0.01 0.00 0.00 54.13 54.78 2qo6 s LEU 84 Cb -0.02 -2.08 0.12 0.00 0.01 0.00 0.00 46.19 44.21 2qo6 s LEU 84 CO 0.16 0.27 0.17 -0.62 1.01 0.00 0.00 176.35 177.34 2qo6 s ASP 85 N -0.19 3.62 -0.91 2.29 3.68 0.34 -4.96 116.67 120.54 2qo6 s ASP 85 Ca 0.11 -2.01 -0.08 0.00 2.13 0.00 0.00 52.55 52.70 2qo6 s ASP 85 Cb -0.11 -0.75 0.01 0.00 -1.45 0.00 0.00 42.92 40.62 2qo6 s ASP 85 CO 0.00 -0.35 0.64 0.61 0.13 0.00 0.00 175.17 176.21 2qo6 n GLY 86 N 4.34 -1.20 2.46 2.66 0.00 -1.26 -1.37 105.19 110.81 2qo6 n GLY 86 Ca 0.04 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.59 2qo6 n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qo6 n GLY 87 N -1.75 2.45 3.67 -0.02 0.00 -1.26 -5.01 105.19 103.27 2qo6 n GLY 87 Ca -0.23 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 2qo6 n GLY 87 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qo6 s LYS 88 N -0.20 3.65 -0.06 1.61 1.02 -0.47 -4.66 119.74 120.63 2qo6 s LYS 88 Ca 0.00 -0.34 -0.26 0.00 0.02 0.00 0.00 55.97 55.39 2qo6 s LYS 88 Cb 0.00 -3.09 -0.03 0.00 -0.52 0.00 0.00 37.83 34.19 2qo6 s LYS 88 CO 0.00 0.44 0.79 -0.51 -0.92 0.00 0.00 175.35 175.16 2qo6 s LEU 89 N -0.13 4.32 -0.14 3.17 1.02 -0.03 -0.51 118.68 126.38 2qo6 s LEU 89 Ca 0.07 1.33 -0.00 0.00 0.02 0.00 0.00 54.13 55.54 2qo6 s LEU 89 Cb -0.12 -3.24 0.03 0.00 0.02 0.00 0.00 46.19 42.88 2qo6 s LEU 89 CO 0.01 -0.18 -0.10 -0.69 0.02 0.00 0.00 176.35 175.41 2qo6 s VAL 90 N 0.98 1.26 -0.23 -1.59 1.01 0.17 -0.93 120.40 121.08 2qo6 s VAL 90 Ca 0.42 -0.51 0.01 0.00 0.00 0.00 0.00 61.98 61.90 2qo6 s VAL 90 Cb -0.19 -1.28 0.06 0.00 0.00 0.00 0.00 36.38 34.98 2qo6 s VAL 90 CO 0.20 0.34 -0.06 0.00 0.00 0.00 0.00 175.10 175.59 2qo6 s ARG 92 N 1.39 2.85 0.46 0.00 0.52 -1.26 -0.14 118.95 122.77 2qo6 s ARG 92 Ca -0.05 -1.13 0.07 0.00 -0.52 0.00 0.00 55.73 54.09 2qo6 s ARG 92 Cb -0.19 -3.85 0.02 0.00 0.52 0.00 0.00 34.95 31.46 2qo6 s ARG 92 CO -0.06 -0.78 0.63 0.95 0.02 0.00 0.00 175.30 176.06 2qo6 s THR 93 N 1.59 2.86 -1.30 0.02 -4.23 -0.21 -4.62 115.64 109.75 2qo6 s THR 93 Ca 0.03 -0.94 0.21 0.00 -1.18 0.00 0.00 61.69 59.81 2qo6 s THR 93 Cb -0.20 -2.92 0.31 0.00 1.34 0.00 0.00 72.50 71.03 2qo6 s THR 93 CO 0.07 0.00 1.66 -0.90 -0.54 0.00 0.00 174.62 174.92 2qo6 n ASP 94 N -1.98 0.00 -0.02 3.99 3.85 -1.26 -3.39 116.55 117.73 2qo6 n ASP 94 Ca 0.09 0.15 0.02 0.00 -0.71 0.00 0.00 54.79 54.34 2qo6 n ASP 94 Cb 0.59 -0.35 -0.10 0.00 -1.35 0.00 0.00 41.12 39.92 2qo6 n ASP 94 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 2qo6 n ARG 95 N -1.35 0.95 -3.61 0.11 1.74 -1.26 -5.08 116.66 108.16 2qo6 n ARG 95 Ca 0.08 -0.08 -0.01 0.00 -0.77 0.00 0.00 57.85 57.08 2qo6 n ARG 95 Cb 0.19 -1.30 -0.01 0.00 -1.02 0.00 0.00 32.46 30.32 2qo6 n ARG 95 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 2qo6 s PHE 96 N -2.67 -0.07 0.04 -1.55 -0.12 -1.22 -4.82 117.98 107.57 2qo6 s PHE 96 Ca -0.05 0.00 0.02 0.00 -0.05 0.00 0.00 56.93 56.86 2qo6 s PHE 96 Cb 0.06 0.53 -0.04 0.00 -0.63 0.00 0.00 43.02 42.94 2qo6 s PHE 96 CO 0.51 -0.20 0.04 -1.54 -0.05 0.00 0.00 175.22 173.97 2qo6 s SER 97 N -2.58 5.34 -0.15 1.98 1.04 -0.16 -1.05 113.70 118.12 2qo6 s SER 97 Ca 0.12 -0.01 -0.00 0.00 0.48 0.00 0.00 55.95 56.54 2qo6 s SER 97 Cb 0.02 -1.41 0.04 0.00 0.10 0.00 0.00 66.02 64.77 2qo6 s SER 97 CO -0.04 0.22 -0.06 -2.28 0.98 0.00 0.00 173.24 172.06 2qo6 s HIS 98 N -1.25 1.71 -0.02 5.02 2.46 0.80 -1.72 115.29 122.29 2qo6 s HIS 98 Ca 0.25 -1.03 0.05 0.00 0.47 0.00 0.00 55.06 54.79 2qo6 s HIS 98 Cb -0.12 -1.33 -0.03 0.00 -0.13 0.00 0.00 32.58 30.98 2qo6 s HIS 98 CO 0.16 -0.60 -0.16 0.42 -2.47 0.00 0.00 174.74 172.09 2qo6 s ILE 99 N 1.63 2.93 -0.05 0.89 1.01 -0.09 -0.99 121.20 126.54 2qo6 s ILE 99 Ca 0.02 -0.88 -0.00 0.00 0.00 0.00 0.00 60.65 59.79 2qo6 s ILE 99 Cb -0.15 -2.17 0.03 0.00 0.01 0.00 0.00 42.46 40.18 2qo6 s ILE 99 CO -0.08 0.52 -0.00 -1.58 0.00 0.00 0.00 174.94 173.80 2qo6 s GLN 100 N -0.94 0.48 0.18 2.79 0.74 -0.11 -0.55 119.66 122.25 2qo6 s GLN 100 Ca 0.12 0.09 -0.10 0.00 0.05 0.00 0.00 55.36 55.53 2qo6 s GLN 100 Cb -0.11 -0.75 -0.01 0.00 1.10 0.00 0.00 33.01 33.25 2qo6 s GLN 100 CO 0.02 -0.22 0.32 -1.83 -0.55 0.00 0.00 175.29 173.03 2qo6 s GLU 101 N 1.52 1.23 -0.24 1.67 -1.05 -0.31 -0.85 118.70 120.67 2qo6 s GLU 101 Ca -0.02 -1.19 -0.07 0.00 -0.15 0.00 0.00 54.97 53.54 2qo6 s GLU 101 Cb -0.13 0.39 -0.03 0.00 -0.44 0.00 0.00 34.13 33.93 2qo6 s GLU 101 CO -0.03 -0.46 0.05 0.42 0.95 0.00 0.00 175.26 176.19 2qo6 s ILE 102 N -3.98 4.18 -0.08 1.83 -1.09 -1.26 -0.29 121.20 120.50 2qo6 s ILE 102 Ca 0.19 -0.22 -0.01 0.00 -2.23 0.00 0.00 60.65 58.38 2qo6 s ILE 102 Cb 0.03 -2.94 0.03 0.00 -1.58 0.00 0.00 42.46 37.99 2qo6 s ILE 102 CO 0.02 0.36 -0.01 -0.75 -1.23 0.00 0.00 174.94 173.33 2qo6 s LYS 103 N 1.51 0.77 -1.44 2.79 2.20 0.38 -4.83 119.74 121.12 2qo6 s LYS 103 Ca 0.06 0.02 -0.09 0.00 -0.36 0.00 0.00 55.97 55.61 2qo6 s LYS 103 Cb -0.15 -1.12 0.05 0.00 -1.51 0.00 0.00 37.83 35.10 2qo6 s LYS 103 CO 0.03 -0.31 0.91 0.00 -0.36 0.00 0.00 175.35 175.61 2qo6 n ALA 104 N 5.11 -1.55 -0.96 3.13 0.00 -1.26 -1.63 120.51 123.35 2qo6 n ALA 104 Ca -0.08 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2qo6 n ALA 104 Cb 0.50 -3.68 0.00 0.00 0.00 0.00 0.00 19.45 16.27 2qo6 n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qo6 n GLY 105 N -1.67 0.47 3.38 0.00 0.00 -1.26 -5.01 105.19 101.10 2qo6 n GLY 105 Ca -0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 2qo6 n GLY 105 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qo6 s GLU 106 N -0.46 1.39 -0.34 1.61 2.02 -0.65 -4.58 118.70 117.70 2qo6 s GLU 106 Ca 0.00 -1.38 -0.20 0.00 0.02 0.00 0.00 54.97 53.42 2qo6 s GLU 106 Cb 0.00 -1.81 -0.00 0.00 0.10 0.00 0.00 34.13 32.42 2qo6 s GLU 106 CO 0.00 0.42 0.59 1.41 0.02 0.00 0.00 175.26 177.70 2qo6 s MET 107 N -2.23 3.70 -0.16 1.61 -2.45 -0.57 -0.47 119.30 118.73 2qo6 s MET 107 Ca 0.15 0.03 -0.02 0.00 -1.25 0.00 0.00 55.69 54.60 2qo6 s MET 107 Cb -0.09 -3.79 -0.02 0.00 1.25 0.00 0.00 34.83 32.18 2qo6 s MET 107 CO 0.07 -0.67 -0.08 0.08 1.05 0.00 0.00 175.02 175.46 2qo6 s VAL 108 N 2.58 3.36 -0.13 10.11 1.01 0.60 -0.85 120.40 137.09 2qo6 s VAL 108 Ca 0.23 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.68 2qo6 s VAL 108 Cb -0.15 -2.46 -0.01 0.00 0.00 0.00 0.00 36.38 33.77 2qo6 s VAL 108 CO 0.14 0.49 -0.17 -1.61 0.00 0.00 0.00 175.10 173.94 2qo6 s GLU 109 N 0.68 3.22 -0.23 2.72 2.02 0.50 -1.16 118.70 126.44 2qo6 s GLU 109 Ca -0.04 -0.77 -0.04 0.00 0.02 0.00 0.00 54.97 54.14 2qo6 s GLU 109 Cb -0.15 -2.52 -0.00 0.00 0.10 0.00 0.00 34.13 31.56 2qo6 s GLU 109 CO 0.02 0.14 -0.04 0.99 0.02 0.00 0.00 175.26 176.39 2qo6 s THR 110 N 0.50 3.32 -0.21 3.63 2.01 0.29 -0.88 115.64 124.30 2qo6 s THR 110 Ca -0.12 -0.61 -0.02 0.00 0.31 0.00 0.00 61.69 61.25 2qo6 s THR 110 Cb -0.16 -2.56 0.00 0.00 0.01 0.00 0.00 72.50 69.79 2qo6 s THR 110 CO 0.05 0.36 -0.08 -0.76 -0.69 0.00 0.00 174.62 173.49 2qo6 s LEU 111 N 1.45 2.74 0.01 4.42 2.01 0.43 -0.91 118.68 128.83 2qo6 s LEU 111 Ca 0.05 -0.52 0.05 0.00 0.01 0.00 0.00 54.13 53.71 2qo6 s LEU 111 Cb -0.15 -1.66 -0.02 0.00 0.01 0.00 0.00 46.19 44.37 2qo6 s LEU 111 CO -0.03 -0.03 -0.14 0.42 1.01 0.00 0.00 176.35 177.57 2qo6 s THR 112 N 1.41 1.13 -0.10 5.49 -4.23 -0.70 -0.00 115.64 118.64 2qo6 s THR 112 Ca 0.05 -0.79 -0.03 0.00 -1.18 0.00 0.00 61.69 59.73 2qo6 s THR 112 Cb -0.14 -0.98 0.04 0.00 1.34 0.00 0.00 72.50 72.76 2qo6 s THR 112 CO -0.06 0.18 0.07 0.54 -0.54 0.00 0.00 174.62 174.81 2qo6 s VAL 113 N -0.57 -0.08 0.00 2.29 0.11 -0.42 -0.98 120.40 120.75 2qo6 s VAL 113 Ca 0.04 0.15 0.00 0.00 -2.93 0.00 0.00 61.98 59.23 2qo6 s VAL 113 Cb -0.07 -0.36 0.00 0.00 -1.53 0.00 0.00 36.38 34.43 2qo6 s VAL 113 CO 0.00 -0.03 0.00 0.61 -3.33 0.00 0.00 175.10 172.35 2qo6 n GLY 114 N 5.28 3.47 0.49 6.54 0.00 -1.26 -1.45 105.19 118.27 2qo6 n GLY 114 Ca -0.05 0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.10 2qo6 n GLY 114 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qo6 n GLY 115 N 0.00 0.08 3.59 -0.02 0.00 -1.26 -4.84 105.19 102.73 2qo6 n GLY 115 Ca 0.00 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.18 2qo6 n GLY 115 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qo6 s THR 116 N -1.92 4.96 -0.16 2.61 2.01 -0.53 -5.04 115.64 117.58 2qo6 s THR 116 Ca 0.36 0.72 0.01 0.00 0.31 0.00 0.00 61.69 63.08 2qo6 s THR 116 Cb 0.20 -3.98 0.03 0.00 0.01 0.00 0.00 72.50 68.75 2qo6 s THR 116 CO 0.31 -0.15 -0.14 -0.89 -0.69 0.00 0.00 174.62 173.05 2qo6 s THR 117 N 2.55 1.65 -0.13 -0.82 2.01 -1.26 -1.31 115.64 118.33 2qo6 s THR 117 Ca 0.23 -0.76 -0.06 0.00 0.31 0.00 0.00 61.69 61.42 2qo6 s THR 117 Cb -0.15 -1.58 -0.04 0.00 0.01 0.00 0.00 72.50 70.74 2qo6 s THR 117 CO 0.12 0.40 0.08 -0.32 -0.69 0.00 0.00 174.62 174.21 2qo6 s MET 118 N 1.44 3.51 -0.13 4.92 -2.45 0.99 -4.62 119.30 122.97 2qo6 s MET 118 Ca 0.04 -0.28 0.02 0.00 -1.25 0.00 0.00 55.69 54.22 2qo6 s MET 118 Cb -0.14 -3.09 0.00 0.00 1.25 0.00 0.00 34.83 32.85 2qo6 s MET 118 CO -0.10 0.58 -0.20 0.42 1.05 0.00 0.00 175.02 176.77 2qo6 s ILE 119 N -0.49 2.31 0.00 10.11 1.01 -0.22 -0.43 121.20 133.49 2qo6 s ILE 119 Ca 0.10 -0.91 0.08 0.00 0.00 0.00 0.00 60.65 59.93 2qo6 s ILE 119 Cb -0.12 -1.93 -0.02 0.00 0.01 0.00 0.00 42.46 40.40 2qo6 s ILE 119 CO 0.02 0.54 -0.25 0.00 0.00 0.00 0.00 174.94 175.26 2qo6 s ARG 120 N 0.65 2.04 -0.02 2.79 1.70 -0.06 0.31 118.95 126.36 2qo6 s ARG 120 Ca -0.10 -0.98 0.07 0.00 -0.47 0.00 0.00 55.73 54.26 2qo6 s ARG 120 Cb -0.16 -2.06 -0.02 0.00 -0.57 0.00 0.00 34.95 32.14 2qo6 s ARG 120 CO 0.02 0.55 -0.25 0.15 -1.08 0.00 0.00 175.30 174.69 2qo6 s LYS 121 N -0.90 2.06 -0.02 3.89 1.02 0.20 -0.37 119.74 125.62 2qo6 s LYS 121 Ca 0.11 -0.89 0.05 0.00 0.02 0.00 0.00 55.97 55.26 2qo6 s LYS 121 Cb -0.10 -1.96 -0.01 0.00 -0.52 0.00 0.00 37.83 35.24 2qo6 s LYS 121 CO 0.01 0.52 -0.16 -1.12 -0.92 0.00 0.00 175.35 173.68 2qo6 s SER 122 N -0.54 1.87 0.07 2.83 0.01 -0.03 -1.21 113.70 116.70 2qo6 s SER 122 Ca 0.08 -0.29 0.01 0.00 1.31 0.00 0.00 55.95 57.06 2qo6 s SER 122 Cb -0.10 -0.28 -0.04 0.00 0.21 0.00 0.00 66.02 65.81 2qo6 s SER 122 CO -0.01 0.18 0.16 -1.59 0.41 0.00 0.00 173.24 172.39 2qo6 s LYS 123 N -0.26 3.22 0.21 12.44 -2.85 0.59 -1.51 119.74 131.58 2qo6 s LYS 123 Ca 0.04 -0.54 -0.30 0.00 -1.00 0.00 0.00 55.97 54.17 2qo6 s LYS 123 Cb -0.07 -2.92 -0.08 0.00 -2.06 0.00 0.00 37.83 32.70 2qo6 s LYS 123 CO -0.00 0.59 1.09 0.21 0.10 0.00 0.00 175.35 177.35 2qo6 s LYS 124 N -2.44 4.62 0.00 1.78 2.20 -1.26 -0.41 119.74 124.23 2qo6 s LYS 124 Ca 0.32 1.74 0.21 0.00 -0.36 0.00 0.00 55.97 57.88 2qo6 s LYS 124 Cb -0.13 -3.25 0.16 0.00 -1.51 0.00 0.00 37.83 33.11 2qo6 s LYS 124 CO 0.25 0.14 1.16 -0.89 -0.36 0.00 0.00 175.35 175.65