#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qgg n VAL 7 N 0.00 0.33 -2.08 3.53 0.31 -1.26 -4.92 118.33 114.24 2qgg n VAL 7 Ca 0.00 -0.17 -0.39 0.00 -0.01 0.00 0.00 64.34 63.76 2qgg n VAL 7 Cb 0.00 -1.64 -0.01 0.00 -0.91 0.00 0.00 33.84 31.29 2qgg n VAL 7 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2qgg s PRO 8 N 5.00 3.94 0.07 5.55 0.04 -1.26 -4.94 135.00 143.40 2qgg s PRO 8 Ca 1.02 2.10 -0.24 0.00 0.04 0.00 0.00 61.00 63.92 2qgg s PRO 8 Cb -0.85 -2.72 -0.16 0.00 0.04 0.00 0.00 34.50 30.81 2qgg s PRO 8 CO 0.53 -0.50 1.65 0.93 0.04 0.00 0.00 177.00 179.66 2qgg h GLU 9 N 2.61 -0.11 -5.03 4.56 3.07 -2.00 -3.39 114.58 114.29 2qgg h GLU 9 Ca -0.49 0.01 -0.63 0.00 -0.50 0.00 0.00 59.36 57.74 2qgg h GLU 9 Cb 1.25 0.02 -0.15 0.00 -0.84 0.00 0.00 28.75 29.03 2qgg h GLU 9 CO 0.62 -0.00 -0.49 -0.51 -1.40 0.00 0.00 179.01 177.23 2qgg s ASP 10 N -5.17 6.09 0.16 1.42 1.01 -1.26 -5.07 116.67 113.85 2qgg s ASP 10 Ca -0.14 0.08 -0.10 0.00 0.71 0.00 0.00 52.55 53.10 2qgg s ASP 10 Cb 0.05 -2.12 -0.00 0.00 1.01 0.00 0.00 42.92 41.86 2qgg s ASP 10 CO 0.65 0.01 0.30 0.00 0.21 0.00 0.00 175.17 176.34 2qgg s ARG 11 N 1.38 1.14 -0.03 8.23 1.70 -1.26 -1.58 118.95 128.53 2qgg s ARG 11 Ca 0.08 -1.11 0.06 0.00 -0.47 0.00 0.00 55.73 54.29 2qgg s ARG 11 Cb -0.15 0.39 -0.01 0.00 -0.57 0.00 0.00 34.95 34.61 2qgg s ARG 11 CO 0.07 -0.42 -0.20 0.42 -1.08 0.00 0.00 175.30 174.09 2qgg s ILE 12 N -3.94 1.64 -0.31 4.99 1.01 -0.36 -4.81 121.20 119.42 2qgg s ILE 12 Ca 0.15 -0.86 -0.24 0.00 0.00 0.00 0.00 60.65 59.70 2qgg s ILE 12 Cb 0.03 -1.38 0.00 0.00 0.01 0.00 0.00 42.46 41.12 2qgg s ILE 12 CO -0.02 0.46 0.81 -1.58 0.00 0.00 0.00 174.94 174.62 2qgg s GLN 13 N -0.27 3.97 0.00 2.79 0.74 -1.26 -1.76 119.66 123.86 2qgg s GLN 13 Ca 0.02 0.62 0.20 0.00 0.05 0.00 0.00 55.36 56.26 2qgg s GLN 13 Cb -0.10 -3.73 0.26 0.00 1.10 0.00 0.00 33.01 30.54 2qgg s GLN 13 CO 0.01 -0.70 1.23 0.44 -0.55 0.00 0.00 175.29 175.71 2qgg n ILE 14 N 5.57 0.26 -3.47 -2.34 -5.35 -0.26 -4.88 119.36 108.89 2qgg n ILE 14 Ca 0.04 -0.63 0.00 0.00 -0.27 0.00 0.00 62.75 61.90 2qgg n ILE 14 Cb 0.48 1.19 0.00 0.00 -1.74 0.00 0.00 39.64 39.56 2qgg n ILE 14 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qgg n GLY 15 N 1.20 -1.21 3.49 3.28 0.00 -1.19 -1.30 105.19 109.46 2qgg n GLY 15 Ca 0.14 -0.98 -0.09 0.00 0.00 0.00 0.00 46.02 45.09 2qgg n GLY 15 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2qgg s GLN 16 N -0.95 0.59 -0.01 1.61 0.74 -0.03 -1.48 119.66 120.14 2qgg s GLN 16 Ca 0.00 1.01 -0.30 0.00 0.05 0.00 0.00 55.36 56.12 2qgg s GLN 16 Cb 0.00 0.11 -0.04 0.00 1.10 0.00 0.00 33.01 34.18 2qgg s GLN 16 CO 0.00 -0.14 1.17 -0.51 -0.55 0.00 0.00 175.29 175.26 2qgg s LEU 17 N 1.35 4.32 0.00 3.68 1.43 -0.22 -0.15 118.68 129.09 2qgg s LEU 17 Ca -0.08 1.86 0.00 0.00 -1.03 0.00 0.00 54.13 54.87 2qgg s LEU 17 Cb -0.06 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.59 2qgg s LEU 17 CO -0.14 -0.50 0.00 0.54 0.23 0.00 0.00 176.35 176.47 2qgg n ARG 18 N 4.61 3.04 -1.40 1.70 5.12 0.14 0.62 116.66 130.48 2qgg n ARG 18 Ca 0.10 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.67 2qgg n ARG 18 Cb 0.47 0.00 0.10 0.00 -1.16 0.00 0.00 32.46 31.87 2qgg n ARG 18 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 2qgg s SER 19 N -1.00 4.13 0.39 0.55 0.01 -1.26 -3.61 113.70 112.91 2qgg s SER 19 Ca 0.00 2.37 -0.26 0.00 1.31 0.00 0.00 55.95 59.37 2qgg s SER 19 Cb 0.00 -2.59 -0.09 0.00 0.21 0.00 0.00 66.02 63.55 2qgg s SER 19 CO 0.00 -2.30 1.23 0.00 0.41 0.00 0.00 173.24 172.58 2qgg s ALA 20 N -1.97 3.25 -0.20 1.44 0.00 -1.26 -0.27 121.76 122.73 2qgg s ALA 20 Ca 0.75 1.10 0.01 0.00 0.00 0.00 0.00 51.96 53.82 2qgg s ALA 20 Cb -0.30 -3.43 0.04 0.00 0.00 0.00 0.00 23.12 19.44 2qgg s ALA 20 CO 0.46 -0.64 -0.12 -0.47 0.00 0.00 0.00 175.76 174.99 2qgg s TYR 21 N -1.31 2.58 0.00 0.00 5.04 -0.46 -4.75 117.35 118.45 2qgg s TYR 21 Ca 0.55 -1.69 0.00 0.00 -2.44 0.00 0.00 57.07 53.50 2qgg s TYR 21 Cb -0.35 -1.72 0.00 0.00 0.35 0.00 0.00 41.96 40.25 2qgg s TYR 21 CO 0.44 -0.77 0.00 0.41 -1.34 0.00 0.00 175.55 174.29 2qgg n GLY 22 N 4.64 -1.53 0.26 8.97 0.00 -1.26 -3.36 105.19 112.91 2qgg n GLY 22 Ca -0.16 -1.30 0.03 0.00 0.00 0.00 0.00 46.02 44.59 2qgg n GLY 22 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qgg n LEU 23 N 0.00 1.60 -1.99 0.99 4.77 -1.26 -4.63 117.00 116.49 2qgg n LEU 23 Ca 0.00 -1.08 -0.06 0.00 -0.03 0.00 0.00 56.01 54.84 2qgg n LEU 23 Cb 0.00 -0.01 0.31 0.00 -2.33 0.00 0.00 43.42 41.38 2qgg n LEU 23 CO 0.00 0.34 1.04 0.59 -1.33 0.00 0.00 177.39 178.03 2qgg n ASN 24 N 0.33 4.81 0.00 -1.43 3.02 -1.26 -3.06 115.26 117.66 2qgg n ASN 24 Ca 0.04 -3.24 0.00 0.00 -0.03 0.00 0.00 54.58 51.35 2qgg n ASN 24 Cb 0.17 -0.75 0.00 0.00 -0.61 0.00 0.00 39.78 38.60 2qgg n ASN 24 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qgg n GLY 25 N -0.18 0.89 3.69 7.41 0.00 -1.15 -3.95 105.19 111.90 2qgg n GLY 25 Ca 0.41 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.14 2qgg n GLY 25 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2qgg s TRP 26 N -3.54 2.16 -0.04 1.61 0.52 -1.21 -4.58 118.94 113.86 2qgg s TRP 26 Ca 0.00 1.23 -0.11 0.00 0.02 0.00 0.00 56.10 57.24 2qgg s TRP 26 Cb 0.00 -3.18 0.02 0.00 -1.15 0.00 0.00 33.47 29.16 2qgg s TRP 26 CO 0.00 -2.64 0.24 -0.51 0.02 0.00 0.00 176.95 174.07 2qgg s LEU 27 N -6.37 1.10 0.54 2.99 1.43 -0.63 -1.35 118.68 116.39 2qgg s LEU 27 Ca 0.64 0.14 -0.18 0.00 -1.03 0.00 0.00 54.13 53.70 2qgg s LEU 27 Cb -0.19 0.98 -0.06 0.00 0.03 0.00 0.00 46.19 46.95 2qgg s LEU 27 CO 0.58 -0.32 1.06 0.26 0.23 0.00 0.00 176.35 178.16 2qgg s TRP 28 N -0.89 2.95 -0.05 0.29 0.52 0.62 0.14 118.94 122.53 2qgg s TRP 28 Ca -0.10 1.55 -0.04 0.00 0.02 0.00 0.00 56.10 57.53 2qgg s TRP 28 Cb -0.05 -3.07 0.02 0.00 -1.15 0.00 0.00 33.47 29.22 2qgg s TRP 28 CO 0.02 -1.04 0.12 0.54 0.02 0.00 0.00 176.95 176.62 2qgg s VAL 29 N -2.16 -0.01 -0.22 4.03 0.11 -0.18 0.24 120.40 122.21 2qgg s VAL 29 Ca 0.66 0.03 -0.10 0.00 -2.93 0.00 0.00 61.98 59.64 2qgg s VAL 29 Cb -0.17 -0.18 -0.05 0.00 -1.53 0.00 0.00 36.38 34.45 2qgg s VAL 29 CO 0.28 0.01 0.14 -0.47 -3.33 0.00 0.00 175.10 171.73 2qgg s TYR 30 N 0.26 3.35 -0.04 1.54 6.14 0.78 -4.21 117.35 125.17 2qgg s TYR 30 Ca -0.02 0.25 -0.02 0.00 0.64 0.00 0.00 57.07 57.93 2qgg s TYR 30 Cb -0.03 -2.21 -0.04 0.00 0.42 0.00 0.00 41.96 40.11 2qgg s TYR 30 CO -0.01 0.16 0.07 0.45 0.64 0.00 0.00 175.55 176.87 2qgg s SER 31 N 0.72 5.69 0.00 4.32 0.15 -1.26 -0.85 113.70 122.47 2qgg s SER 31 Ca 0.07 0.20 0.22 0.00 0.70 0.00 0.00 55.95 57.14 2qgg s SER 31 Cb -0.12 -1.66 0.25 0.00 -1.71 0.00 0.00 66.02 62.77 2qgg s SER 31 CO 0.01 0.32 1.26 0.59 1.20 0.00 0.00 173.24 176.62 2qgg n ASN 32 N 1.51 3.04 -4.98 5.45 5.03 -0.42 -4.93 115.26 119.95 2qgg n ASN 32 Ca -0.15 -1.95 -0.20 0.00 0.87 0.00 0.00 54.58 53.15 2qgg n ASN 32 Cb 0.53 -0.08 -0.01 0.00 -1.02 0.00 0.00 39.78 39.21 2qgg n ASN 32 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.26 175.85 2qgg s THR 33 N -1.73 4.40 -0.17 3.41 -4.23 -1.26 -5.03 115.64 111.04 2qgg s THR 33 Ca 0.30 -0.88 -0.04 0.00 -1.18 0.00 0.00 61.69 59.89 2qgg s THR 33 Cb 0.20 -3.55 0.08 0.00 1.34 0.00 0.00 72.50 70.56 2qgg s THR 33 CO 0.29 -0.25 0.27 -0.70 -0.54 0.00 0.00 174.62 173.68 2qgg s GLU 34 N -4.20 0.19 0.00 3.99 2.56 -1.26 -4.75 118.70 115.22 2qgg s GLU 34 Ca 0.43 0.58 0.00 0.00 0.00 0.00 0.00 54.97 55.97 2qgg s GLU 34 Cb -0.09 -0.41 0.00 0.00 2.00 0.00 0.00 34.13 35.63 2qgg s GLU 34 CO 0.32 -0.43 0.00 -2.30 -0.56 0.00 0.00 175.26 172.29 2qgg n PRO 35 N 5.34 2.65 0.00 4.30 -0.02 -1.26 -5.01 135.00 141.00 2qgg n PRO 35 Ca -0.06 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.42 2qgg n PRO 35 Cb 0.50 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.98 2qgg n PRO 35 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2qgg n SER 37 N 0.00 0.00 -2.79 2.55 3.41 -1.26 -5.05 113.62 110.48 2qgg n SER 37 Ca 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 58.87 58.55 2qgg n SER 37 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 2qgg n SER 37 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2qgg n ASN 38 N 0.00 1.55 0.00 4.04 4.13 -1.26 -4.22 115.26 119.51 2qgg n ASN 38 Ca 0.00 -1.95 0.00 0.00 1.68 0.00 0.00 54.58 54.31 2qgg n ASN 38 Cb 0.00 -0.55 0.00 0.00 -1.54 0.00 0.00 39.78 37.69 2qgg n ASN 38 CO 0.00 0.00 0.00 0.49 0.28 0.00 0.00 177.26 178.03 2qgg n PHE 40 N 3.95 0.00 1.16 3.10 3.72 -1.26 -4.28 117.46 123.85 2qgg n PHE 40 Ca 0.14 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.66 2qgg n PHE 40 Cb 0.11 -0.22 0.32 0.00 -0.94 0.00 0.00 39.48 38.75 2qgg n PHE 40 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 2qgg n ASP 41 N 0.00 0.90 -4.80 4.37 8.00 -1.26 -4.85 116.55 118.91 2qgg n ASP 41 Ca 0.00 -0.72 -0.38 0.00 0.71 0.00 0.00 54.79 54.40 2qgg n ASP 41 Cb 0.00 0.19 -0.06 0.00 -0.02 0.00 0.00 41.12 41.23 2qgg n ASP 41 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2qgg s TYR 42 N -2.65 3.65 -0.11 1.24 2.02 -1.26 0.35 117.35 120.58 2qgg s TYR 42 Ca 0.20 0.93 -0.04 0.00 -0.37 0.00 0.00 57.07 57.79 2qgg s TYR 42 Cb 0.19 -2.36 0.06 0.00 -0.40 0.00 0.00 41.96 39.44 2qgg s TYR 42 CO 0.58 0.48 0.21 -1.17 -1.57 0.00 0.00 175.55 174.09 2qgg s LEU 43 N -0.49 -0.13 0.00 -1.29 2.96 -1.26 -4.69 118.68 113.78 2qgg s LEU 43 Ca 0.23 0.47 0.00 0.00 -0.22 0.00 0.00 54.13 54.62 2qgg s LEU 43 Cb -0.16 0.51 0.00 0.00 0.50 0.00 0.00 46.19 47.04 2qgg s LEU 43 CO 0.12 -0.23 0.00 -0.81 -1.32 0.00 0.00 176.35 174.10 2qgg n PRO 44 N 5.23 1.01 -4.72 0.98 -0.04 -1.26 -5.00 135.00 131.20 2qgg n PRO 44 Ca -0.07 0.00 -0.30 0.00 -0.04 0.00 0.00 63.50 63.09 2qgg n PRO 44 Cb 0.50 0.00 -0.14 0.00 -0.04 0.00 0.00 33.50 33.82 2qgg n PRO 44 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2qgg s TRP 45 N 0.43 2.38 -0.33 0.54 0.52 0.56 -4.88 118.94 118.15 2qgg s TRP 45 Ca 0.00 -0.37 -0.01 0.00 0.02 0.00 0.00 56.10 55.75 2qgg s TRP 45 Cb 0.00 -1.37 0.08 0.00 -1.15 0.00 0.00 33.47 31.02 2qgg s TRP 45 CO 0.00 0.21 0.05 0.71 0.02 0.00 0.00 176.95 177.94 2qgg s TYR 46 N -0.90 3.44 -0.09 -1.98 2.02 -0.59 -0.50 117.35 118.75 2qgg s TYR 46 Ca 0.13 -2.27 -0.02 0.00 -0.37 0.00 0.00 57.07 54.54 2qgg s TYR 46 Cb -0.10 -2.54 -0.03 0.00 -0.40 0.00 0.00 41.96 38.89 2qgg s TYR 46 CO 0.04 -0.88 -0.00 0.96 -1.57 0.00 0.00 175.55 174.09 2qgg s ILE 47 N 1.14 4.29 -0.54 2.71 -4.36 -0.59 -0.66 121.20 123.19 2qgg s ILE 47 Ca 0.01 -0.25 -0.17 0.00 -0.26 0.00 0.00 60.65 59.97 2qgg s ILE 47 Cb -0.20 -2.81 0.10 0.00 1.25 0.00 0.00 42.46 40.80 2qgg s ILE 47 CO -0.04 0.60 0.57 -0.70 0.24 0.00 0.00 174.94 175.61 2qgg s GLU 48 N -0.80 3.03 0.44 0.37 2.12 -0.91 -1.68 118.70 121.27 2qgg s GLU 48 Ca 0.12 -1.37 0.06 0.00 0.36 0.00 0.00 54.97 54.14 2qgg s GLU 48 Cb -0.11 -4.22 0.01 0.00 0.26 0.00 0.00 34.13 30.06 2qgg s GLU 48 CO 0.02 -1.33 0.60 0.95 -0.54 0.00 0.00 175.26 174.97 2qgg s THR 49 N 2.15 3.09 0.46 -1.70 -4.23 -0.49 -4.06 115.64 110.86 2qgg s THR 49 Ca 0.08 -0.91 0.35 0.00 -1.18 0.00 0.00 61.69 60.03 2qgg s THR 49 Cb -0.25 -3.07 0.35 0.00 1.34 0.00 0.00 72.50 70.87 2qgg s THR 49 CO 0.06 -0.03 2.06 0.11 -0.54 0.00 0.00 174.62 176.29 2qgg h LYS 50 N 0.54 0.00 -0.91 3.99 1.57 -1.95 -1.42 116.57 118.39 2qgg h LYS 50 Ca -0.41 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 57.78 2qgg h LYS 50 Cb 1.28 0.00 -0.39 0.00 0.08 0.00 0.00 32.23 33.20 2qgg h LYS 50 CO 0.48 0.00 -0.40 0.00 -0.57 0.00 0.00 179.45 178.96 2qgg n ALA 51 N -1.94 5.35 0.00 3.86 0.00 -1.26 -5.08 120.51 121.44 2qgg n ALA 51 Ca -0.02 -3.78 0.00 0.00 0.00 0.00 0.00 53.44 49.63 2qgg n ALA 51 Cb 0.15 -0.70 0.00 0.00 0.00 0.00 0.00 19.45 18.90 2qgg n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qgg n GLY 52 N -0.73 -2.80 3.82 0.00 0.00 -0.54 -4.96 105.19 99.99 2qgg n GLY 52 Ca 0.48 -1.82 -0.33 0.00 0.00 0.00 0.00 46.02 44.35 2qgg n GLY 52 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2qgg s TRP 53 N -0.60 3.23 -0.05 1.61 0.52 -1.26 -1.40 118.94 120.99 2qgg s TRP 53 Ca 0.00 1.56 -0.07 0.00 0.02 0.00 0.00 56.10 57.60 2qgg s TRP 53 Cb 0.00 -2.91 0.01 0.00 -1.15 0.00 0.00 33.47 29.43 2qgg s TRP 53 CO 0.00 -0.47 0.18 -0.65 0.02 0.00 0.00 176.95 176.03 2qgg s GLN 54 N -3.51 0.31 -0.17 4.98 -0.21 -0.68 -4.91 119.66 115.47 2qgg s GLN 54 Ca 0.63 0.08 -0.08 0.00 0.02 0.00 0.00 55.36 56.00 2qgg s GLN 54 Cb -0.12 0.14 -0.05 0.00 1.00 0.00 0.00 33.01 33.99 2qgg s GLN 54 CO 0.22 -0.06 0.12 0.99 -2.12 0.00 0.00 175.29 174.45 2qgg s THR 55 N -0.34 5.34 0.01 -0.19 2.01 -1.26 -1.54 115.64 119.68 2qgg s THR 55 Ca -0.04 0.16 0.02 0.00 0.31 0.00 0.00 61.69 62.13 2qgg s THR 55 Cb -0.03 -3.39 -0.01 0.00 0.01 0.00 0.00 72.50 69.08 2qgg s THR 55 CO 0.01 0.51 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.70 2qgg s VAL 56 N -0.15 0.41 -0.10 3.82 1.01 0.34 -4.95 120.40 120.78 2qgg s VAL 56 Ca 0.10 -0.51 -0.03 0.00 0.00 0.00 0.00 61.98 61.54 2qgg s VAL 56 Cb -0.11 -0.40 -0.03 0.00 0.00 0.00 0.00 36.38 35.83 2qgg s VAL 56 CO 0.00 -0.08 0.00 -1.81 0.00 0.00 0.00 175.10 173.22 2qgg s ASP 57 N -0.64 5.22 0.15 3.32 1.11 -1.26 -0.32 116.67 124.25 2qgg s ASP 57 Ca -0.03 0.11 -0.30 0.00 0.18 0.00 0.00 52.55 52.51 2qgg s ASP 57 Cb -0.05 -1.56 -0.07 0.00 1.07 0.00 0.00 42.92 42.31 2qgg s ASP 57 CO -0.00 0.33 0.95 -0.69 1.18 0.00 0.00 175.17 176.94 2qgg s VAL 58 N -0.61 4.36 -0.25 -1.27 1.01 -1.26 -1.18 120.40 121.20 2qgg s VAL 58 Ca 0.10 2.07 -0.10 0.00 0.00 0.00 0.00 61.98 64.05 2qgg s VAL 58 Cb -0.12 -4.32 -0.11 0.00 0.00 0.00 0.00 36.38 31.83 2qgg s VAL 58 CO 0.02 0.38 -0.30 1.17 0.00 0.00 0.00 175.10 176.37 2qgg n LYS 59 N 2.35 0.53 -3.81 2.72 4.81 0.94 -4.78 118.16 120.93 2qgg n LYS 59 Ca 0.01 0.21 -0.09 0.00 -0.87 0.00 0.00 58.31 57.57 2qgg n LYS 59 Cb 0.48 -1.39 -0.03 0.00 0.02 0.00 0.00 35.03 34.11 2qgg n LYS 59 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 2qgg s ARG 60 N -2.45 1.53 0.24 1.64 1.70 -1.07 -4.34 118.95 116.19 2qgg s ARG 60 Ca -0.34 -0.96 -0.22 0.00 -0.47 0.00 0.00 55.73 53.74 2qgg s ARG 60 Cb 0.12 0.54 0.04 0.00 -0.57 0.00 0.00 34.95 35.08 2qgg s ARG 60 CO 0.45 -0.67 0.70 1.67 -1.08 0.00 0.00 175.30 176.38 2qgg s TRP 61 N -3.91 -0.28 -0.11 5.89 1.48 -1.26 0.58 118.94 121.32 2qgg s TRP 61 Ca 0.12 -0.11 -0.30 0.00 -1.06 0.00 0.00 56.10 54.75 2qgg s TRP 61 Cb -0.02 0.67 0.11 0.00 -1.16 0.00 0.00 33.47 33.06 2qgg s TRP 61 CO 0.02 -1.11 0.89 -1.59 -4.06 0.00 0.00 176.95 171.09 2qgg s LYS 62 N -3.84 0.76 0.28 3.25 -2.85 -0.71 -4.90 119.74 111.74 2qgg s LYS 62 Ca 0.08 0.15 -0.28 0.00 -1.00 0.00 0.00 55.97 54.93 2qgg s LYS 62 Cb -0.04 0.36 -0.09 0.00 -2.06 0.00 0.00 37.83 35.99 2qgg s LYS 62 CO 0.01 -0.24 0.96 -1.25 0.10 0.00 0.00 175.35 174.93 2qgg s PRO 63 N -1.26 4.70 -0.23 1.78 0.04 -1.26 -1.59 135.00 137.19 2qgg s PRO 63 Ca -0.04 1.45 -0.03 0.00 0.04 0.00 0.00 61.00 62.42 2qgg s PRO 63 Cb -0.00 -3.05 0.07 0.00 0.04 0.00 0.00 34.50 31.56 2qgg s PRO 63 CO 0.04 0.37 0.06 -1.58 0.04 0.00 0.00 177.00 175.93 2qgg s HIS 64 N -1.38 1.09 0.00 0.56 2.46 -0.29 -4.90 115.29 112.83 2qgg s HIS 64 Ca 0.46 -1.03 0.00 0.00 0.47 0.00 0.00 55.06 54.96 2qgg s HIS 64 Cb -0.23 -1.15 0.00 0.00 -0.13 0.00 0.00 32.58 31.07 2qgg s HIS 64 CO 0.29 -0.68 0.00 0.41 -2.47 0.00 0.00 174.74 172.29 2qgg n GLY 65 N 5.03 3.14 0.42 1.59 0.00 -1.26 -2.38 105.19 111.74 2qgg n GLY 65 Ca -0.07 0.27 -0.14 0.00 0.00 0.00 0.00 46.02 46.08 2qgg n GLY 65 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2qgg h LYS 66 N 0.00 -0.62 0.00 1.61 2.10 -2.03 -3.47 116.57 114.16 2qgg h LYS 66 Ca 0.00 0.04 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 2qgg h LYS 66 Cb 0.00 0.14 0.00 0.00 -0.90 0.00 0.00 32.23 31.47 2qgg h LYS 66 CO 0.00 -0.42 0.00 0.41 -2.00 0.00 0.00 179.45 177.44 2qgg n GLY 67 N -1.42 2.10 3.03 0.07 0.00 -1.00 -5.16 105.19 102.82 2qgg n GLY 67 Ca -0.07 -0.04 -0.14 0.00 0.00 0.00 0.00 46.02 45.77 2qgg n GLY 67 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qgg s LEU 68 N 0.00 2.19 0.03 0.99 1.43 -1.26 -1.14 118.68 120.91 2qgg s LEU 68 Ca 0.00 -0.42 0.07 0.00 -1.03 0.00 0.00 54.13 52.75 2qgg s LEU 68 Cb 0.00 -0.19 -0.02 0.00 0.03 0.00 0.00 46.19 46.00 2qgg s LEU 68 CO 0.00 -0.13 -0.20 0.68 0.23 0.00 0.00 176.35 176.93 2qgg s VAL 69 N -1.02 1.60 0.08 -1.59 -7.23 -0.62 -1.01 120.40 110.61 2qgg s VAL 69 Ca -0.07 -1.09 0.06 0.00 -1.81 0.00 0.00 61.98 59.08 2qgg s VAL 69 Cb -0.08 -1.38 -0.03 0.00 0.56 0.00 0.00 36.38 35.45 2qgg s VAL 69 CO 0.00 0.26 -0.15 0.54 -0.31 0.00 0.00 175.10 175.44 2qgg s VAL 70 N -0.71 1.22 -0.24 1.32 0.11 0.12 -1.74 120.40 120.49 2qgg s VAL 70 Ca 0.07 -1.41 -0.02 0.00 -2.93 0.00 0.00 61.98 57.69 2qgg s VAL 70 Cb -0.08 -1.22 0.02 0.00 -1.53 0.00 0.00 36.38 33.57 2qgg s VAL 70 CO 0.01 -0.24 -0.07 -0.55 -3.33 0.00 0.00 175.10 170.92 2qgg s SER 71 N -1.90 4.19 -0.15 3.54 0.15 0.20 -1.60 113.70 118.13 2qgg s SER 71 Ca 0.01 -0.77 -0.10 0.00 0.70 0.00 0.00 55.95 55.80 2qgg s SER 71 Cb -0.09 -1.66 -0.05 0.00 -1.71 0.00 0.00 66.02 62.52 2qgg s SER 71 CO 0.03 -0.10 0.18 -0.76 1.20 0.00 0.00 173.24 173.79 2qgg s LEU 72 N 1.35 4.30 0.18 3.45 1.43 -1.26 -0.04 118.68 128.10 2qgg s LEU 72 Ca 0.02 0.43 -0.33 0.00 -1.03 0.00 0.00 54.13 53.21 2qgg s LEU 72 Cb -0.16 -2.17 -0.14 0.00 0.03 0.00 0.00 46.19 43.75 2qgg s LEU 72 CO -0.05 0.26 1.41 1.17 0.23 0.00 0.00 176.35 179.37 2qgg n LYS 73 N 2.82 1.81 -0.36 1.70 4.81 -0.32 -1.21 118.16 127.42 2qgg n LYS 73 Ca -0.17 0.65 0.00 0.00 -0.87 0.00 0.00 58.31 57.92 2qgg n LYS 73 Cb 0.53 -2.31 0.00 0.00 0.02 0.00 0.00 35.03 33.27 2qgg n LYS 73 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2qgg n GLY 74 N 2.55 1.59 3.12 3.14 0.00 -1.26 -4.73 105.19 109.60 2qgg n GLY 74 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 2qgg n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qgg s VAL 75 N -3.10 2.98 0.00 1.61 1.01 -0.35 -4.94 120.40 117.62 2qgg s VAL 75 Ca 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 61.98 60.10 2qgg s VAL 75 Cb 0.00 -2.96 0.00 0.00 0.00 0.00 0.00 36.38 33.42 2qgg s VAL 75 CO 0.00 -0.47 0.51 -1.54 0.00 0.00 0.00 175.10 173.60 2qgg n SER 76 N 4.54 1.01 -4.21 3.32 3.41 -1.26 -4.51 113.62 115.92 2qgg n SER 76 Ca -0.05 -1.11 -0.18 0.00 -0.26 0.00 0.00 58.87 57.26 2qgg n SER 76 Cb 0.42 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.27 2qgg n SER 76 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 2qgg s ASP 77 N -0.11 1.55 0.21 4.04 1.47 -1.25 -3.32 116.67 119.26 2qgg s ASP 77 Ca 0.00 -1.46 -0.10 0.00 1.18 0.00 0.00 52.55 52.17 2qgg s ASP 77 Cb 0.00 0.24 0.15 0.00 -0.34 0.00 0.00 42.92 42.97 2qgg s ASP 77 CO 0.00 -0.79 1.84 -0.09 0.68 0.00 0.00 175.17 176.81 2qgg h ARG 78 N 2.25 1.04 -0.32 2.11 9.65 -1.83 -2.73 114.38 124.55 2qgg h ARG 78 Ca -0.37 -0.11 -0.08 0.00 -1.10 0.00 0.00 59.98 58.33 2qgg h ARG 78 Cb 1.25 -0.21 -0.02 0.00 -1.39 0.00 0.00 29.97 29.60 2qgg h ARG 78 CO 0.58 0.76 -0.12 1.15 2.80 0.00 0.00 179.97 185.14 2qgg h THR 79 N 1.04 1.24 0.00 0.20 2.02 -1.97 -1.65 112.91 113.79 2qgg h THR 79 Ca 0.27 -1.06 -0.05 0.00 0.77 0.00 0.00 66.41 66.34 2qgg h THR 79 Cb -0.00 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 67.53 2qgg h THR 79 CO -0.05 0.35 -0.25 1.23 0.37 0.00 0.00 175.52 177.17 2qgg h GLY 80 N 0.94 0.00 0.90 2.16 0.00 -1.89 -2.88 103.07 102.30 2qgg h GLY 80 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.11 2qgg h GLY 80 CO 0.03 0.00 -1.51 0.00 0.00 0.00 0.00 176.54 175.06 2qgg h ALA 81 N 1.75 0.05 0.00 3.60 0.00 -1.15 -3.34 119.26 120.16 2qgg h ALA 81 Ca -0.00 -1.01 -0.02 0.00 0.00 0.00 0.00 54.91 53.88 2qgg h ALA 81 Cb 0.68 0.35 -0.00 0.00 0.00 0.00 0.00 17.79 18.82 2qgg h ALA 81 CO 0.03 0.83 -0.08 0.93 0.00 0.00 0.00 179.25 180.96 2qgg h GLU 82 N -0.02 0.00 -0.06 0.00 5.08 -1.25 -1.17 114.58 117.16 2qgg h GLU 82 Ca -0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 2qgg h GLU 82 Cb 2.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.25 2qgg h GLU 82 CO 0.18 0.08 0.00 -1.13 -1.00 0.00 0.00 179.01 177.14 2qgg n SER 83 N -3.69 0.93 -0.00 1.42 3.41 -1.10 -3.37 113.62 111.23 2qgg n SER 83 Ca -0.02 -1.47 0.01 0.00 -0.26 0.00 0.00 58.87 57.13 2qgg n SER 83 Cb 0.19 -0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.08 2qgg n SER 83 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2qgg n LEU 84 N -0.21 0.02 -4.60 1.04 4.77 -0.52 -4.55 117.00 112.95 2qgg n LEU 84 Ca 0.18 -0.09 -0.62 0.00 -0.03 0.00 0.00 56.01 55.45 2qgg n LEU 84 Cb 0.23 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.24 2qgg n LEU 84 CO 0.14 0.01 0.83 0.52 -1.33 0.00 0.00 177.39 177.55 2qgg n VAL 85 N -1.50 0.01 -1.03 4.08 0.31 -0.74 -1.40 118.33 118.07 2qgg n VAL 85 Ca -0.00 -0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 2qgg n VAL 85 Cb 0.06 -0.27 -0.00 0.00 -0.91 0.00 0.00 33.84 32.72 2qgg n VAL 85 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qgg n ALA 86 N 2.60 -0.01 -2.11 3.52 0.00 0.20 -4.99 120.51 119.73 2qgg n ALA 86 Ca 0.24 0.01 -0.36 0.00 0.00 0.00 0.00 53.44 53.34 2qgg n ALA 86 Cb 0.04 -0.39 -0.06 0.00 0.00 0.00 0.00 19.45 19.03 2qgg n ALA 86 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2qgg s SER 87 N -2.23 7.03 0.39 0.00 1.04 -0.49 -4.79 113.70 114.64 2qgg s SER 87 Ca 0.00 1.40 -0.20 0.00 0.48 0.00 0.00 55.95 57.62 2qgg s SER 87 Cb 0.00 -2.41 -0.10 0.00 0.10 0.00 0.00 66.02 63.60 2qgg s SER 87 CO 0.00 0.01 0.90 0.20 0.98 0.00 0.00 173.24 175.33 2qgg s ASN 88 N -1.71 6.96 -0.18 7.02 0.01 -1.26 -1.06 114.94 124.73 2qgg s ASN 88 Ca 0.44 1.62 -0.03 0.00 -0.71 0.00 0.00 52.86 54.18 2qgg s ASN 88 Cb -0.16 -2.51 -0.01 0.00 0.41 0.00 0.00 41.25 38.98 2qgg s ASN 88 CO 0.21 -0.28 -0.06 -0.63 -1.51 0.00 0.00 177.10 174.82 2qgg s ILE 89 N -2.05 3.41 0.28 0.60 1.01 -0.55 -2.13 121.20 121.77 2qgg s ILE 89 Ca 0.58 -0.50 0.07 0.00 0.00 0.00 0.00 60.65 60.79 2qgg s ILE 89 Cb -0.11 -2.51 -0.06 0.00 0.01 0.00 0.00 42.46 39.80 2qgg s ILE 89 CO 0.16 0.46 -0.06 0.26 0.00 0.00 0.00 174.94 175.76 2qgg s TRP 90 N 0.95 1.94 0.05 3.97 0.52 0.16 -1.10 118.94 125.44 2qgg s TRP 90 Ca -0.01 -0.70 -0.00 0.00 0.02 0.00 0.00 56.10 55.41 2qgg s TRP 90 Cb -0.15 -1.10 -0.04 0.00 -1.15 0.00 0.00 33.47 31.03 2qgg s TRP 90 CO 0.00 0.28 -0.04 0.96 0.02 0.00 0.00 176.95 178.17 2qgg s ILE 91 N -3.02 0.26 0.53 2.03 -4.36 -0.72 -1.54 121.20 114.39 2qgg s ILE 91 Ca 0.29 -1.60 -0.20 0.00 -0.26 0.00 0.00 60.65 58.88 2qgg s ILE 91 Cb 0.04 -1.23 -0.06 0.00 1.25 0.00 0.00 42.46 42.46 2qgg s ILE 91 CO 0.12 -0.85 1.18 0.00 0.24 0.00 0.00 174.94 175.63 2qgg s ALA 92 N -3.26 2.75 0.43 2.27 0.00 -1.26 -1.22 121.76 121.46 2qgg s ALA 92 Ca 0.02 0.96 0.16 0.00 0.00 0.00 0.00 51.96 53.09 2qgg s ALA 92 Cb 0.03 -3.41 1.06 0.00 0.00 0.00 0.00 23.12 20.79 2qgg s ALA 92 CO -0.07 -0.90 1.92 -0.22 0.00 0.00 0.00 175.76 176.49 2qgg h LYS 93 N 1.39 0.40 -0.59 0.00 3.64 -1.61 -1.43 116.57 118.37 2qgg h LYS 93 Ca -0.50 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 58.69 2qgg h LYS 93 Cb 1.27 -0.09 -0.10 0.00 -0.41 0.00 0.00 32.23 32.90 2qgg h LYS 93 CO 0.57 0.26 0.17 -1.13 -2.27 0.00 0.00 179.45 177.06 2qgg n SER 94 N -4.48 4.30 -4.56 4.20 3.41 -1.26 -4.95 113.62 110.28 2qgg n SER 94 Ca 0.14 -3.27 -0.42 0.00 -0.26 0.00 0.00 58.87 55.06 2qgg n SER 94 Cb 0.53 -0.69 -0.06 0.00 -0.26 0.00 0.00 64.21 63.73 2qgg n SER 94 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 2qgg s GLN 95 N -3.00 3.60 0.26 4.33 0.74 -0.54 -5.05 119.66 120.00 2qgg s GLN 95 Ca 0.51 0.06 -0.15 0.00 0.05 0.00 0.00 55.36 55.83 2qgg s GLN 95 Cb 0.42 -3.85 -0.08 0.00 1.10 0.00 0.00 33.01 30.59 2qgg s GLN 95 CO 0.11 -0.88 0.68 -0.51 -0.55 0.00 0.00 175.29 174.13 2qgg s LEU 96 N 2.97 4.19 0.34 3.68 1.02 -1.26 -4.91 118.68 124.70 2qgg s LEU 96 Ca 0.28 1.23 -0.28 0.00 0.02 0.00 0.00 54.13 55.38 2qgg s LEU 96 Cb -0.13 -3.78 -0.09 0.00 0.02 0.00 0.00 46.19 42.20 2qgg s LEU 96 CO 0.18 -0.08 1.15 -2.16 0.02 0.00 0.00 176.35 175.45 2qgg s PRO 97 N -2.56 4.38 -0.44 1.29 0.04 -1.26 -4.80 135.00 131.63 2qgg s PRO 97 Ca 0.48 1.86 0.03 0.00 0.04 0.00 0.00 61.00 63.41 2qgg s PRO 97 Cb -0.13 -2.96 0.16 0.00 0.04 0.00 0.00 34.50 31.62 2qgg s PRO 97 CO 0.19 -0.05 0.33 0.15 0.04 0.00 0.00 177.00 177.66 2qgg s LYS 98 N -1.86 1.10 0.12 4.56 1.02 0.15 -4.98 119.74 119.87 2qgg s LYS 98 Ca 0.50 -2.13 -0.31 0.00 0.02 0.00 0.00 55.97 54.05 2qgg s LYS 98 Cb -0.32 -1.79 -0.08 0.00 -0.52 0.00 0.00 37.83 35.12 2qgg s LYS 98 CO 0.41 -1.31 1.46 0.00 -0.92 0.00 0.00 175.35 174.99 2qgg s ALA 99 N 0.07 3.65 0.56 5.17 0.00 -1.25 -4.82 121.76 125.13 2qgg s ALA 99 Ca 0.27 1.18 0.25 0.00 0.00 0.00 0.00 51.96 53.67 2qgg s ALA 99 Cb -0.06 -3.58 1.50 0.00 0.00 0.00 0.00 23.12 20.99 2qgg s ALA 99 CO -0.13 -0.72 2.07 -0.44 0.00 0.00 0.00 175.76 176.55 2qgg h ASP 100 N 6.98 0.00 -0.66 0.00 3.32 -1.90 -1.38 116.42 122.79 2qgg h ASP 100 Ca -0.42 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.61 2qgg h ASP 100 Cb 1.21 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.72 2qgg h ASP 100 CO 0.89 0.00 0.34 -0.37 -1.72 0.00 0.00 179.24 178.38 2qgg h VAL 101 N 0.00 1.21 0.00 -1.35 -1.51 -1.90 -1.84 116.25 110.86 2qgg h VAL 101 Ca 0.12 -0.57 -0.10 0.00 -1.23 0.00 0.00 66.70 64.93 2qgg h VAL 101 Cb 0.57 0.32 -0.01 0.00 -2.13 0.00 0.00 31.29 30.04 2qgg h VAL 101 CO -0.00 0.24 -0.46 0.44 -1.23 0.00 0.00 177.57 176.56 2qgg h ASP 102 N 0.95 0.00 0.17 4.19 3.32 -1.64 -3.31 116.42 120.10 2qgg h ASP 102 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 2qgg h ASP 102 Cb 0.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.62 2qgg h ASP 102 CO -0.03 0.46 -0.39 -0.62 -1.72 0.00 0.00 179.24 176.93 2qgg n GLU 103 N -3.32 0.82 -4.29 3.56 -0.58 -0.81 -4.96 120.64 111.06 2qgg n GLU 103 Ca 0.01 -0.57 -0.23 0.00 -0.42 0.00 0.00 57.16 55.95 2qgg n GLU 103 Cb 0.65 -1.49 -0.12 0.00 -0.57 0.00 0.00 31.44 29.91 2qgg n GLU 103 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 2qgg s TYR 104 N -2.57 1.79 0.20 -0.32 2.02 -0.76 -5.07 117.35 112.64 2qgg s TYR 104 Ca 0.20 -0.43 0.04 0.00 -0.37 0.00 0.00 57.07 56.51 2qgg s TYR 104 Cb 0.19 -0.96 -0.05 0.00 -0.40 0.00 0.00 41.96 40.73 2qgg s TYR 104 CO 0.57 0.23 -0.04 0.71 -1.57 0.00 0.00 175.55 175.45 2qgg s TYR 105 N -1.33 1.43 0.21 2.71 1.51 -1.26 -4.92 117.35 115.70 2qgg s TYR 105 Ca 0.08 -0.87 -0.17 0.00 -1.01 0.00 0.00 57.07 55.10 2qgg s TYR 105 Cb -0.09 -0.79 0.22 0.00 -0.11 0.00 0.00 41.96 41.18 2qgg s TYR 105 CO 0.05 -0.01 1.59 2.35 -1.11 0.00 0.00 175.55 178.41 2qgg h TRP 106 N 2.60 -0.77 -1.10 2.71 7.01 -1.99 0.14 115.95 124.55 2qgg h TRP 106 Ca -0.38 0.08 0.32 0.00 2.11 0.00 0.00 58.89 61.02 2qgg h TRP 106 Cb 1.21 0.45 -0.04 0.00 -2.10 0.00 0.00 29.16 28.67 2qgg h TRP 106 CO 0.60 -0.37 0.81 0.77 -2.79 0.00 0.00 178.44 177.46 2qgg h SER 107 N -0.08 0.00 1.17 2.65 0.02 -1.97 0.37 113.55 115.72 2qgg h SER 107 Ca 0.30 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 61.10 2qgg h SER 107 Cb 0.57 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 2qgg h SER 107 CO -0.78 0.00 -0.85 0.44 -1.14 0.00 0.00 176.83 174.50 2qgg h ASP 108 N 0.00 0.00 0.58 3.07 3.32 -1.14 -3.36 116.42 118.89 2qgg h ASP 108 Ca 0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.57 2qgg h ASP 108 Cb 2.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.68 2qgg h ASP 108 CO -0.01 0.69 -0.81 0.18 -1.72 0.00 0.00 179.24 177.58 2qgg n LEU 109 N -3.20 0.63 -4.25 1.55 4.77 0.12 -4.99 117.00 111.63 2qgg n LEU 109 Ca -0.01 0.05 -0.59 0.00 -0.03 0.00 0.00 56.01 55.43 2qgg n LEU 109 Cb 0.83 -0.15 -0.09 0.00 -2.33 0.00 0.00 43.42 41.69 2qgg n LEU 109 CO 0.43 0.03 0.88 0.29 -1.33 0.00 0.00 177.39 177.69 2qgg n LYS 110 N -1.93 0.00 -1.61 3.23 5.02 -0.82 -1.84 118.16 120.21 2qgg n LYS 110 Ca 0.03 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.26 2qgg n LYS 110 Cb 0.42 -1.37 -0.01 0.00 -0.02 0.00 0.00 35.03 34.05 2qgg n LYS 110 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qgg n GLY 111 N 2.92 0.49 3.89 0.72 0.00 -1.26 -5.05 105.19 106.89 2qgg n GLY 111 Ca 0.25 -0.74 -0.32 0.00 0.00 0.00 0.00 46.02 45.22 2qgg n GLY 111 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2qgg s LEU 112 N -1.41 4.23 0.04 0.99 1.43 -0.77 -4.93 118.68 118.27 2qgg s LEU 112 Ca 0.00 0.73 -0.23 0.00 -1.03 0.00 0.00 54.13 53.60 2qgg s LEU 112 Cb 0.00 -3.46 -0.06 0.00 0.03 0.00 0.00 46.19 42.70 2qgg s LEU 112 CO 0.00 0.00 0.68 -0.89 0.23 0.00 0.00 176.35 176.38 2qgg s THR 113 N -1.72 4.77 -0.29 5.49 2.01 -0.60 -1.55 115.64 123.75 2qgg s THR 113 Ca 0.44 1.45 -0.11 0.00 0.31 0.00 0.00 61.69 63.78 2qgg s THR 113 Cb -0.12 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.32 2qgg s THR 113 CO 0.23 0.42 0.19 -0.69 -0.69 0.00 0.00 174.62 174.08 2qgg s VAL 114 N -0.30 5.24 -0.28 3.82 1.01 0.11 -0.82 120.40 129.17 2qgg s VAL 114 Ca 0.34 0.07 -0.08 0.00 0.00 0.00 0.00 61.98 62.32 2qgg s VAL 114 Cb -0.20 -3.53 -0.01 0.00 0.00 0.00 0.00 36.38 32.64 2qgg s VAL 114 CO 0.21 0.20 0.10 -0.76 0.00 0.00 0.00 175.10 174.85 2qgg s LEU 115 N 1.74 3.80 0.00 3.92 1.43 0.14 -1.22 118.68 128.49 2qgg s LEU 115 Ca 0.07 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 52.69 2qgg s LEU 115 Cb -0.16 -1.94 0.00 0.00 0.03 0.00 0.00 46.19 44.12 2qgg s LEU 115 CO 0.10 -0.14 0.00 0.61 0.23 0.00 0.00 176.35 177.15 2qgg n GLY 116 N 4.93 1.24 2.91 -3.19 0.00 0.46 -1.38 105.19 110.16 2qgg n GLY 116 Ca -0.15 -2.00 -0.15 0.00 0.00 0.00 0.00 46.02 43.72 2qgg n GLY 116 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qgg s LEU 117 N 0.00 -0.26 1.18 0.99 2.96 0.13 -2.07 118.68 121.62 2qgg s LEU 117 Ca 0.00 0.31 -0.19 0.00 -0.22 0.00 0.00 54.13 54.03 2qgg s LEU 117 Cb 0.00 0.61 0.28 0.00 0.50 0.00 0.00 46.19 47.58 2qgg s LEU 117 CO 0.00 -0.27 1.13 1.51 -1.32 0.00 0.00 176.35 177.40 2qgg s ASP 118 N 2.39 1.09 0.37 3.68 1.47 -0.75 -3.89 116.67 121.04 2qgg s ASP 118 Ca 0.04 0.57 0.05 0.00 1.18 0.00 0.00 52.55 54.39 2qgg s ASP 118 Cb -0.13 -0.77 0.73 0.00 -0.34 0.00 0.00 42.92 42.41 2qgg s ASP 118 CO -0.10 -4.01 2.02 -2.24 0.68 0.00 0.00 175.17 171.52 2qgg h ASP 119 N -2.51 0.63 -0.11 2.11 3.04 -1.98 -1.76 116.42 115.84 2qgg h ASP 119 Ca -0.44 -0.01 -0.02 0.00 -3.24 0.00 0.00 57.03 53.32 2qgg h ASP 119 Cb 1.29 -0.15 -0.01 0.00 -1.04 0.00 0.00 39.33 39.41 2qgg h ASP 119 CO 0.34 0.45 0.02 -0.62 -2.04 0.00 0.00 179.24 177.38 2qgg n GLU 120 N -4.46 1.59 -2.30 4.15 1.02 -1.26 -4.86 120.64 114.52 2qgg n GLU 120 Ca 0.06 -0.54 -0.19 0.00 -0.02 0.00 0.00 57.16 56.47 2qgg n GLU 120 Cb 0.08 -1.55 -0.02 0.00 -0.02 0.00 0.00 31.44 29.93 2qgg n GLU 120 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2qgg n GLU 121 N 0.13 -1.76 -3.76 3.49 1.02 -0.66 -4.99 120.64 114.11 2qgg n GLU 121 Ca 0.06 0.95 -0.37 0.00 -0.02 0.00 0.00 57.16 57.78 2qgg n GLU 121 Cb 0.47 -5.56 -0.06 0.00 -0.02 0.00 0.00 31.44 26.26 2qgg n GLU 121 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2qgg s GLN 122 N -4.86 3.69 0.02 3.49 -1.52 -1.26 -4.89 119.66 114.33 2qgg s GLN 122 Ca 0.00 -0.02 -0.30 0.00 -1.95 0.00 0.00 55.36 53.09 2qgg s GLN 122 Cb 0.00 -3.24 -0.05 0.00 -0.22 0.00 0.00 33.01 29.50 2qgg s GLN 122 CO 0.00 0.66 1.18 -1.21 -0.25 0.00 0.00 175.29 175.68 2qgg s GLU 123 N -0.76 4.42 -0.07 2.91 2.02 -1.26 -1.82 118.70 124.15 2qgg s GLU 123 Ca 0.16 1.72 0.05 0.00 0.02 0.00 0.00 54.97 56.91 2qgg s GLU 123 Cb -0.13 -3.42 -0.01 0.00 0.10 0.00 0.00 34.13 30.67 2qgg s GLU 123 CO 0.05 -0.29 -0.22 0.54 0.02 0.00 0.00 175.26 175.36 2qgg s VAL 124 N 1.38 2.32 -0.89 2.63 0.11 -0.88 -4.96 120.40 120.11 2qgg s VAL 124 Ca 0.57 -0.97 -0.25 0.00 -2.93 0.00 0.00 61.98 58.41 2qgg s VAL 124 Cb -0.27 -1.87 0.04 0.00 -1.53 0.00 0.00 36.38 32.74 2qgg s VAL 124 CO 0.27 0.57 1.40 0.21 -3.33 0.00 0.00 175.10 174.22 2qgg s ASN 125 N -0.18 6.29 0.48 3.54 3.84 -1.26 -0.40 114.94 127.25 2qgg s ASN 125 Ca -0.02 -0.97 0.26 0.00 0.21 0.00 0.00 52.86 52.34 2qgg s ASN 125 Cb -0.14 -2.56 1.15 0.00 -0.55 0.00 0.00 41.25 39.15 2qgg s ASN 125 CO 0.04 -1.70 1.92 -0.07 -2.79 0.00 0.00 177.10 174.49 2qgg h LEU 126 N 13.12 0.00 0.00 3.21 3.38 -1.53 -0.34 115.31 133.15 2qgg h LEU 126 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2qgg h LEU 126 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 2qgg h LEU 126 CO 1.36 0.17 0.00 0.61 0.09 0.00 0.00 178.44 180.67 2qgg n GLY 127 N -0.12 0.80 3.41 0.83 0.00 -1.22 -4.56 105.19 104.33 2qgg n GLY 127 Ca -0.00 -1.77 -0.30 0.00 0.00 0.00 0.00 46.02 43.94 2qgg n GLY 127 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2qgg s GLN 128 N -1.79 1.86 0.00 1.61 0.74 0.17 0.04 119.66 122.29 2qgg s GLN 128 Ca 0.00 -1.09 -0.30 0.00 0.05 0.00 0.00 55.36 54.01 2qgg s GLN 128 Cb 0.00 -2.06 -0.06 0.00 1.10 0.00 0.00 33.01 31.99 2qgg s GLN 128 CO 0.00 0.51 1.50 -1.50 -0.55 0.00 0.00 175.29 175.26 2qgg s ILE 129 N -0.91 3.53 -0.18 -2.34 2.07 -0.60 -0.96 121.20 121.81 2qgg s ILE 129 Ca 0.14 0.88 0.04 0.00 -1.41 0.00 0.00 60.65 60.30 2qgg s ILE 129 Cb -0.10 -3.57 -0.13 0.00 0.13 0.00 0.00 42.46 38.78 2qgg s ILE 129 CO 0.04 -0.02 -0.13 1.57 -1.91 0.00 0.00 174.94 174.50 2qgg n HIS 130 N 5.77 0.00 -3.68 3.50 -0.00 0.45 -4.09 115.22 117.18 2qgg n HIS 130 Ca 0.15 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.74 2qgg n HIS 130 Cb 0.43 -0.73 -0.06 0.00 -0.00 0.00 0.00 29.99 29.62 2qgg n HIS 130 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.34 174.34 2qgg s GLU 131 N -2.38 0.91 -0.29 1.57 2.56 -1.15 -4.99 118.70 114.94 2qgg s GLU 131 Ca -0.22 -0.41 -0.03 0.00 0.00 0.00 0.00 54.97 54.31 2qgg s GLU 131 Cb 0.06 0.40 0.11 0.00 2.00 0.00 0.00 34.13 36.71 2qgg s GLU 131 CO 0.47 -0.31 0.19 -1.17 -0.56 0.00 0.00 175.26 173.88 2qgg s LEU 132 N -2.07 0.24 0.51 2.70 2.96 -1.26 0.90 118.68 122.66 2qgg s LEU 132 Ca -0.05 -1.06 0.04 0.00 -0.22 0.00 0.00 54.13 52.84 2qgg s LEU 132 Cb -0.01 -0.02 -0.00 0.00 0.50 0.00 0.00 46.19 46.66 2qgg s LEU 132 CO -0.03 -0.42 0.17 0.72 -1.32 0.00 0.00 176.35 175.47 2qgg s PHE 133 N 2.20 1.89 -0.11 5.38 -0.71 -0.64 -4.80 117.98 121.19 2qgg s PHE 133 Ca 0.09 -0.86 0.01 0.00 -1.04 0.00 0.00 56.93 55.13 2qgg s PHE 133 Cb -0.15 -1.77 -0.02 0.00 -1.21 0.00 0.00 43.02 39.87 2qgg s PHE 133 CO -0.35 -0.03 -0.14 -1.21 -1.34 0.00 0.00 175.22 172.15 2qgg s GLU 134 N -4.02 3.19 0.12 1.99 2.02 -1.26 -0.98 118.70 119.76 2qgg s GLU 134 Ca 0.21 -0.71 0.22 0.00 0.02 0.00 0.00 54.97 54.71 2qgg s GLU 134 Cb 0.01 -2.55 -0.12 0.00 0.10 0.00 0.00 34.13 31.57 2qgg s GLU 134 CO 0.12 0.28 0.85 0.25 0.02 0.00 0.00 175.26 176.78 2qgg n THR 135 N 3.30 0.47 0.00 3.63 -2.24 0.81 -4.97 114.28 115.28 2qgg n THR 135 Ca -0.18 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.05 2qgg n THR 135 Cb 0.53 -0.26 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 2qgg n THR 135 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qgg n GLY 136 N 1.22 3.54 0.10 3.38 0.00 -1.26 -4.81 105.19 107.36 2qgg n GLY 136 Ca -0.02 -0.97 -0.10 0.00 0.00 0.00 0.00 46.02 44.92 2qgg n GLY 136 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qgg n ALA 137 N 0.00 1.47 -3.05 4.61 0.00 -1.26 -5.03 120.51 117.25 2qgg n ALA 137 Ca 0.00 -1.12 -0.12 0.00 0.00 0.00 0.00 53.44 52.20 2qgg n ALA 137 Cb 0.00 -0.41 -0.04 0.00 0.00 0.00 0.00 19.45 19.01 2qgg n ALA 137 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2qgg s ASN 138 N -5.80 0.49 -0.03 0.00 -0.87 -1.26 -5.16 114.94 102.30 2qgg s ASN 138 Ca -0.10 -1.28 0.01 0.00 -1.57 0.00 0.00 52.86 49.92 2qgg s ASN 138 Cb 0.07 0.65 -0.03 0.00 -0.02 0.00 0.00 41.25 41.92 2qgg s ASN 138 CO 0.81 -1.28 -0.03 -1.81 -2.57 0.00 0.00 177.10 172.22 2qgg s ASP 139 N -3.15 4.90 0.00 -1.22 1.01 -1.26 -0.13 116.67 116.82 2qgg s ASP 139 Ca 0.27 -0.01 0.00 0.00 0.71 0.00 0.00 52.55 53.51 2qgg s ASP 139 Cb -0.01 -1.26 0.00 0.00 1.01 0.00 0.00 42.92 42.66 2qgg s ASP 139 CO 0.16 0.32 0.00 0.52 0.21 0.00 0.00 175.17 176.38 2qgg n VAL 140 N 1.80 0.00 -3.65 -1.27 0.31 -0.15 -1.05 118.33 114.32 2qgg n VAL 140 Ca -0.16 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.08 2qgg n VAL 140 Cb 0.53 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.38 2qgg n VAL 140 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2qgg s VAL 142 N 0.57 -0.01 -0.10 2.52 1.01 0.26 -1.62 120.40 123.03 2qgg s VAL 142 Ca 0.00 0.02 0.04 0.00 0.00 0.00 0.00 61.98 62.04 2qgg s VAL 142 Cb 0.00 -0.90 -0.00 0.00 0.00 0.00 0.00 36.38 35.48 2qgg s VAL 142 CO 0.00 0.01 -0.23 -0.69 0.00 0.00 0.00 175.10 174.19 2qgg s VAL 143 N 1.52 2.18 0.11 2.92 1.01 0.08 -0.41 120.40 127.80 2qgg s VAL 143 Ca -0.09 -0.98 0.08 0.00 0.00 0.00 0.00 61.98 60.99 2qgg s VAL 143 Cb -0.06 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 2qgg s VAL 143 CO -0.17 0.56 -0.15 -0.13 0.00 0.00 0.00 175.10 175.20 2qgg s ARG 144 N 0.32 1.92 0.87 2.72 0.52 -0.13 -0.87 118.95 124.30 2qgg s ARG 144 Ca -0.18 -1.11 -0.10 0.00 -0.52 0.00 0.00 55.73 53.82 2qgg s ARG 144 Cb -0.18 -2.18 0.12 0.00 0.52 0.00 0.00 34.95 33.23 2qgg s ARG 144 CO 0.08 0.49 1.11 0.00 0.02 0.00 0.00 175.30 177.01 2qgg s ALA 145 N -1.15 1.69 0.26 2.13 0.00 -1.22 -0.66 121.76 122.81 2qgg s ALA 145 Ca 0.19 0.38 -0.02 0.00 0.00 0.00 0.00 51.96 52.50 2qgg s ALA 145 Cb -0.11 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 2qgg s ALA 145 CO 0.11 -2.40 0.30 0.95 0.00 0.00 0.00 175.76 174.72 2qgg s THR 146 N -2.76 0.00 0.48 0.00 -4.23 -1.26 -4.73 115.64 103.13 2qgg s THR 146 Ca 0.64 -1.79 0.30 0.00 -1.18 0.00 0.00 61.69 59.66 2qgg s THR 146 Cb -0.20 -2.46 0.33 0.00 1.34 0.00 0.00 72.50 71.50 2qgg s THR 146 CO 0.57 0.00 2.15 -0.65 -0.54 0.00 0.00 174.62 176.16 2qgg h PRO 147 N 2.35 0.00 0.11 3.99 0.11 -1.97 -2.09 132.00 134.51 2qgg h PRO 147 Ca -0.30 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.52 2qgg h PRO 147 Cb 1.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 2qgg h PRO 147 CO 0.43 0.07 -1.37 -0.44 -0.21 0.00 0.00 178.00 176.48 2qgg h ASP 148 N 0.00 0.37 -2.39 -2.05 3.32 -1.97 -3.48 116.42 110.22 2qgg h ASP 148 Ca -0.00 -0.45 -0.55 0.00 0.02 0.00 0.00 57.03 56.05 2qgg h ASP 148 Cb 0.21 -0.12 0.22 0.00 0.22 0.00 0.00 39.33 39.86 2qgg h ASP 148 CO 0.01 1.36 -1.38 -0.24 -1.72 0.00 0.00 179.24 177.28 2qgg n SER 149 N -3.47 -4.49 0.11 6.45 2.88 -0.79 -4.90 113.62 109.42 2qgg n SER 149 Ca -0.12 0.31 -0.04 0.00 -1.33 0.00 0.00 58.87 57.70 2qgg n SER 149 Cb 1.03 -0.90 0.08 0.00 -0.75 0.00 0.00 64.21 63.66 2qgg n SER 149 CO 0.00 0.00 0.00 -0.29 -1.23 0.00 0.00 175.04 173.52 2qgg h ILE 150 N -0.91 1.51 -0.96 2.46 6.09 -1.32 -3.46 117.51 120.92 2qgg h ILE 150 Ca -0.44 -2.47 0.00 0.00 -1.37 0.00 0.00 64.86 60.58 2qgg h ILE 150 Cb 1.32 2.34 0.00 0.00 0.47 0.00 0.00 36.82 40.95 2qgg h ILE 150 CO 0.30 0.71 0.00 -0.90 -3.07 0.00 0.00 178.15 175.19 2qgg n ASP 151 N -3.69 0.00 -0.30 2.19 5.68 -1.26 -5.08 116.55 114.09 2qgg n ASP 151 Ca -0.01 0.00 0.03 0.00 -0.50 0.00 0.00 54.79 54.30 2qgg n ASP 151 Cb 0.71 0.00 0.07 0.00 -1.14 0.00 0.00 41.12 40.77 2qgg n ASP 151 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2qgg n SER 152 N 0.00 2.43 -4.85 -1.12 3.41 -1.26 -4.51 113.62 107.72 2qgg n SER 152 Ca 0.00 -2.00 -0.32 0.00 -0.26 0.00 0.00 58.87 56.30 2qgg n SER 152 Cb 0.00 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 63.84 2qgg n SER 152 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2qgg s GLU 153 N -1.00 3.56 -0.18 4.33 0.41 -1.26 -4.70 118.70 119.86 2qgg s GLU 153 Ca 0.11 0.90 -0.05 0.00 -0.41 0.00 0.00 54.97 55.52 2qgg s GLU 153 Cb 0.06 -2.08 -0.03 0.00 -1.78 0.00 0.00 34.13 30.30 2qgg s GLU 153 CO 0.07 -0.60 -0.01 -2.00 -0.49 0.00 0.00 175.26 172.24 2qgg s GLU 154 N -4.71 3.69 0.00 1.61 2.12 -1.26 -3.42 118.70 116.73 2qgg s GLU 154 Ca 0.58 -0.50 0.00 0.00 0.36 0.00 0.00 54.97 55.41 2qgg s GLU 154 Cb -0.12 -3.02 0.00 0.00 0.26 0.00 0.00 34.13 31.25 2qgg s GLU 154 CO 0.46 0.14 0.00 0.54 -0.54 0.00 0.00 175.26 175.86 2qgg n ARG 155 N 3.85 3.97 0.00 4.30 1.74 -0.05 -4.96 116.66 125.51 2qgg n ARG 155 Ca -0.17 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.91 2qgg n ARG 155 Cb 0.52 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.96 2qgg n ARG 155 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 2qgg n ILE 157 N 0.00 0.00 -1.82 0.55 5.41 -1.26 -0.75 119.36 121.49 2qgg n ILE 157 Ca 0.00 0.00 -0.42 0.00 1.00 0.00 0.00 62.75 63.33 2qgg n ILE 157 Cb 0.00 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 38.90 2qgg n ILE 157 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2qgg s PRO 158 N 0.00 4.16 -1.37 0.38 0.04 -1.26 -4.65 135.00 132.29 2qgg s PRO 158 Ca 0.00 2.51 -0.11 0.00 0.04 0.00 0.00 61.00 63.44 2qgg s PRO 158 Cb 0.00 -3.08 0.10 0.00 0.04 0.00 0.00 34.50 31.56 2qgg s PRO 158 CO 0.00 -0.65 2.07 1.87 0.04 0.00 0.00 177.00 180.34 2qgg n TRP 159 N 3.29 3.19 -4.94 0.56 -0.00 -0.21 -4.47 117.44 114.86 2qgg n TRP 159 Ca 0.12 -2.88 -0.29 0.00 -0.00 0.00 0.00 57.50 54.45 2qgg n TRP 159 Cb 0.37 -2.24 -0.15 0.00 -0.00 0.00 0.00 31.31 29.29 2qgg n TRP 159 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 177.69 176.11 2qgg s HIS 160 N 1.71 2.13 0.54 5.87 2.46 -1.26 -4.65 115.29 122.09 2qgg s HIS 160 Ca 0.44 -0.40 0.38 0.00 0.47 0.00 0.00 55.06 55.95 2qgg s HIS 160 Cb 0.12 -1.31 2.08 0.00 -0.13 0.00 0.00 32.58 33.34 2qgg s HIS 160 CO -0.04 0.06 2.17 1.57 -2.47 0.00 0.00 174.74 176.02 2qgg h LYS 161 N 5.08 0.00 0.00 2.88 2.10 -1.91 -0.62 116.57 124.10 2qgg h LYS 161 Ca -0.44 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 2qgg h LYS 161 Cb 1.14 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.47 2qgg h LYS 161 CO 0.45 0.00 -0.20 -0.44 -2.00 0.00 0.00 179.45 177.26 2qgg h ASP 162 N 0.00 0.00 0.00 7.07 3.32 -1.96 -3.38 116.42 121.47 2qgg h ASP 162 Ca 0.00 -0.05 -0.12 0.00 0.02 0.00 0.00 57.03 56.87 2qgg h ASP 162 Cb 0.15 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 2qgg h ASP 162 CO 0.00 0.03 -1.31 0.52 -1.72 0.00 0.00 179.24 176.76 2qgg n VAL 163 N -2.36 1.41 -3.10 -1.35 0.31 -0.32 -4.66 118.33 108.26 2qgg n VAL 163 Ca 0.05 0.02 -0.44 0.00 -0.01 0.00 0.00 64.34 63.95 2qgg n VAL 163 Cb 0.45 -2.11 -0.05 0.00 -0.91 0.00 0.00 33.84 31.22 2qgg n VAL 163 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2qgg s VAL 164 N -2.67 4.80 -0.11 2.52 0.11 -0.73 -0.01 120.40 124.30 2qgg s VAL 164 Ca -0.27 -0.82 0.16 0.00 -2.93 0.00 0.00 61.98 58.12 2qgg s VAL 164 Cb 0.06 -4.46 -0.21 0.00 -1.53 0.00 0.00 36.38 30.24 2qgg s VAL 164 CO 0.38 -1.07 0.53 0.00 -3.33 0.00 0.00 175.10 171.61 2qgg n GLN 165 N 6.39 0.65 -3.70 1.54 6.02 -0.81 -4.37 117.38 123.10 2qgg n GLN 165 Ca -0.08 0.15 -0.11 0.00 -0.01 0.00 0.00 57.00 56.95 2qgg n GLN 165 Cb 0.43 -1.70 -0.11 0.00 1.02 0.00 0.00 30.24 29.88 2qgg n GLN 165 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 2qgg s ARG 166 N -2.74 0.33 -0.23 -1.09 6.06 -1.17 -4.70 118.95 115.41 2qgg s ARG 166 Ca -0.06 0.76 -0.05 0.00 -2.50 0.00 0.00 55.73 53.88 2qgg s ARG 166 Cb 0.08 -0.01 -0.02 0.00 0.06 0.00 0.00 34.95 35.06 2qgg s ARG 166 CO 0.83 -0.17 -0.00 0.08 -2.50 0.00 0.00 175.30 173.53 2qgg s VAL 167 N 1.54 3.73 -0.59 7.11 1.01 -1.26 -1.15 120.40 130.79 2qgg s VAL 167 Ca -0.08 -0.37 0.04 0.00 0.00 0.00 0.00 61.98 61.57 2qgg s VAL 167 Cb -0.09 -2.72 0.15 0.00 0.00 0.00 0.00 36.38 33.72 2qgg s VAL 167 CO -0.12 0.39 0.37 -0.62 0.00 0.00 0.00 175.10 175.13 2qgg s ASP 168 N 1.49 4.29 0.50 3.32 3.68 -0.22 -4.95 116.67 124.79 2qgg s ASP 168 Ca 0.06 -3.37 0.22 0.00 2.13 0.00 0.00 52.55 51.59 2qgg s ASP 168 Cb -0.15 -1.49 1.29 0.00 -1.45 0.00 0.00 42.92 41.13 2qgg s ASP 168 CO -0.01 -0.16 1.99 -0.07 0.13 0.00 0.00 175.17 177.05 2qgg h LEU 169 N 5.95 0.10 -0.51 -1.34 4.07 -1.95 0.11 115.31 121.74 2qgg h LEU 169 Ca 0.06 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 58.02 2qgg h LEU 169 Cb 0.83 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.53 2qgg h LEU 169 CO 0.66 0.06 0.31 -0.08 -1.08 0.00 0.00 178.44 178.31 2qgg h GLU 170 N 0.11 0.69 -0.01 1.13 4.81 -1.94 -2.42 114.58 116.97 2qgg h GLU 170 Ca 0.26 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 2qgg h GLU 170 Cb 0.87 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.10 2qgg h GLU 170 CO -0.03 0.50 -0.39 0.00 -0.73 0.00 0.00 179.01 178.36 2qgg n ALA 171 N -2.26 3.36 -2.84 2.92 0.00 -0.59 -4.95 120.51 116.15 2qgg n ALA 171 Ca 0.02 -0.43 -0.17 0.00 0.00 0.00 0.00 53.44 52.87 2qgg n ALA 171 Cb 0.05 -1.07 0.03 0.00 0.00 0.00 0.00 19.45 18.46 2qgg n ALA 171 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qgg n GLY 172 N 1.40 -0.20 3.21 0.00 0.00 0.28 -4.97 105.19 104.92 2qgg n GLY 172 Ca 0.10 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.87 2qgg n GLY 172 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qgg s ARG 173 N -5.42 0.94 -0.11 1.61 0.52 -0.99 -1.56 118.95 113.95 2qgg s ARG 173 Ca 0.23 -1.31 0.00 0.00 -0.52 0.00 0.00 55.73 54.13 2qgg s ARG 173 Cb -0.10 -0.54 0.02 0.00 0.52 0.00 0.00 34.95 34.85 2qgg s ARG 173 CO 0.29 0.07 -0.09 0.42 0.02 0.00 0.00 175.30 176.01 2qgg s ILE 174 N -2.99 1.06 -0.23 1.52 1.01 -0.00 -1.06 121.20 120.50 2qgg s ILE 174 Ca 0.11 -0.33 -0.15 0.00 0.00 0.00 0.00 60.65 60.28 2qgg s ILE 174 Cb 0.01 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 41.39 2qgg s ILE 174 CO -0.00 0.37 0.38 -0.31 0.00 0.00 0.00 174.94 175.38 2qgg s TYR 175 N 1.53 3.32 -0.02 3.97 2.02 -0.30 -0.68 117.35 127.19 2qgg s TYR 175 Ca 0.02 0.52 0.04 0.00 -0.37 0.00 0.00 57.07 57.28 2qgg s TYR 175 Cb -0.13 -2.54 -0.01 0.00 -0.40 0.00 0.00 41.96 38.88 2qgg s TYR 175 CO -0.06 -0.10 -0.15 0.14 -1.57 0.00 0.00 175.55 173.81 2qgg s VAL 176 N 1.63 1.19 -1.34 0.71 -7.23 -0.48 -1.93 120.40 112.95 2qgg s VAL 176 Ca 0.17 -0.63 -0.15 0.00 -1.81 0.00 0.00 61.98 59.57 2qgg s VAL 176 Cb -0.15 -1.01 0.09 0.00 0.56 0.00 0.00 36.38 35.87 2qgg s VAL 176 CO 0.08 0.34 1.88 -3.20 -0.31 0.00 0.00 175.10 173.90 2qgg n ASN 177 N 2.87 4.63 -3.78 4.85 5.15 0.98 -3.88 115.26 126.08 2qgg n ASN 177 Ca -0.16 -2.93 -0.13 0.00 -0.60 0.00 0.00 54.58 50.77 2qgg n ASN 177 Cb 0.54 -1.66 -0.13 0.00 -0.53 0.00 0.00 39.78 38.00 2qgg n ASN 177 CO 0.00 0.00 0.00 0.86 1.40 0.00 0.00 177.26 179.52 2qgg s TRP 178 N 2.96 -0.18 0.52 1.20 -0.11 -1.26 -4.83 118.94 117.24 2qgg s TRP 178 Ca 0.48 0.47 0.03 0.00 1.22 0.00 0.00 56.10 58.30 2qgg s TRP 178 Cb 0.07 -0.00 0.10 0.00 -1.50 0.00 0.00 33.47 32.14 2qgg s TRP 178 CO 0.00 -0.13 0.72 0.41 -4.62 0.00 0.00 176.95 173.33 2qgg n GLY 179 N 3.63 1.16 0.16 5.86 0.00 -1.25 -0.69 105.19 114.07 2qgg n GLY 179 Ca -0.20 -2.09 -0.09 0.00 0.00 0.00 0.00 46.02 43.64 2qgg n GLY 179 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2qgg h VAL 180 N -0.31 0.55 -0.00 1.61 2.07 -1.97 -3.47 116.25 114.72 2qgg h VAL 180 Ca -0.24 -0.97 0.00 0.00 0.82 0.00 0.00 66.70 66.31 2qgg h VAL 180 Cb 0.96 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 2qgg h VAL 180 CO 0.28 0.14 0.00 0.47 0.02 0.00 0.00 177.57 178.49