#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qgd s LEU 12 N 0.00 0.33 0.02 1.53 2.96 -1.26 -0.67 118.68 121.60 2qgd s LEU 12 Ca 0.00 -0.06 0.06 0.00 -0.22 0.00 0.00 54.13 53.91 2qgd s LEU 12 Cb 0.00 -0.26 -0.02 0.00 0.50 0.00 0.00 46.19 46.41 2qgd s LEU 12 CO 0.00 -0.24 -0.18 -0.32 -1.32 0.00 0.00 176.35 174.29 2qgd s MET 13 N 2.10 1.26 -0.09 1.98 -2.45 -0.10 -4.42 119.30 117.58 2qgd s MET 13 Ca 0.05 -0.78 0.03 0.00 -1.25 0.00 0.00 55.69 53.74 2qgd s MET 13 Cb -0.13 -1.30 0.01 0.00 1.25 0.00 0.00 34.83 34.66 2qgd s MET 13 CO -0.04 0.34 -0.19 0.08 1.05 0.00 0.00 175.02 176.25 2qgd s VAL 14 N -0.68 1.68 -0.06 10.11 1.01 -0.92 -0.99 120.40 130.56 2qgd s VAL 14 Ca 0.06 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.28 2qgd s VAL 14 Cb -0.08 -1.48 -0.00 0.00 0.00 0.00 0.00 36.38 34.82 2qgd s VAL 14 CO 0.01 0.48 -0.19 -0.75 0.00 0.00 0.00 175.10 174.64 2qgd s LYS 15 N 0.47 2.19 -0.06 2.72 2.20 -0.17 -0.48 119.74 126.62 2qgd s LYS 15 Ca -0.17 -0.70 0.01 0.00 -0.36 0.00 0.00 55.97 54.75 2qgd s LYS 15 Cb -0.17 -1.81 0.02 0.00 -1.51 0.00 0.00 37.83 34.35 2qgd s LYS 15 CO 0.07 0.23 -0.08 0.08 -0.36 0.00 0.00 175.35 175.29 2qgd s VAL 16 N 0.15 0.81 0.19 4.02 1.01 0.02 -1.04 120.40 125.56 2qgd s VAL 16 Ca -0.08 -0.28 0.10 0.00 0.00 0.00 0.00 61.98 61.72 2qgd s VAL 16 Cb -0.14 -0.78 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 2qgd s VAL 16 CO 0.04 0.29 -0.18 -0.76 0.00 0.00 0.00 175.10 174.49 2qgd s LEU 17 N 0.85 2.67 -0.28 3.92 1.43 -0.10 -1.04 118.68 126.12 2qgd s LEU 17 Ca -0.12 -0.74 -0.04 0.00 -1.03 0.00 0.00 54.13 52.20 2qgd s LEU 17 Cb -0.15 -1.38 0.02 0.00 0.03 0.00 0.00 46.19 44.71 2qgd s LEU 17 CO 0.01 0.11 0.02 -0.62 0.23 0.00 0.00 176.35 176.11 2qgd s ASP 18 N -2.73 4.80 0.04 2.29 -1.08 0.59 -0.84 116.67 119.74 2qgd s ASP 18 Ca 0.22 -0.85 0.28 0.00 -0.52 0.00 0.00 52.55 51.68 2qgd s ASP 18 Cb -0.08 -1.78 1.13 0.00 -1.46 0.00 0.00 42.92 40.73 2qgd s ASP 18 CO 0.12 -0.18 1.88 0.00 0.52 0.00 0.00 175.17 177.51 2qgd n ALA 19 N 4.76 2.29 -0.04 3.66 0.00 0.02 -1.44 120.51 129.76 2qgd n ALA 19 Ca -0.15 -0.08 -0.19 0.00 0.00 0.00 0.00 53.44 53.01 2qgd n ALA 19 Cb 0.47 -1.46 -0.13 0.00 0.00 0.00 0.00 19.45 18.33 2qgd n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2qgd h VAL 20 N 0.00 1.25 0.00 0.00 2.07 -1.95 -3.39 116.25 114.23 2qgd h VAL 20 Ca 0.00 -2.34 0.00 0.00 0.82 0.00 0.00 66.70 65.18 2qgd h VAL 20 Cb 0.53 2.81 0.00 0.00 -1.52 0.00 0.00 31.29 33.11 2qgd h VAL 20 CO 0.00 0.57 -0.82 0.54 0.02 0.00 0.00 177.57 177.89 2qgd n ARG 21 N -4.26 0.04 -2.97 1.57 1.74 -1.24 -5.00 116.66 106.53 2qgd n ARG 21 Ca -0.22 -0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.74 2qgd n ARG 21 Cb 0.72 -1.51 0.06 0.00 -1.02 0.00 0.00 32.46 30.71 2qgd n ARG 21 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2qgd n GLY 22 N 1.48 -0.26 3.34 -0.13 0.00 -0.52 -5.03 105.19 104.07 2qgd n GLY 22 Ca 0.04 0.05 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 2qgd n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qgd s SER 23 N -3.80 -0.05 0.64 1.61 1.04 -1.12 -5.01 113.70 107.00 2qgd s SER 23 Ca 0.09 -0.65 -0.18 0.00 0.48 0.00 0.00 55.95 55.68 2qgd s SER 23 Cb -0.01 0.45 -0.02 0.00 0.10 0.00 0.00 66.02 66.54 2qgd s SER 23 CO 0.53 -0.88 1.18 -0.81 0.98 0.00 0.00 173.24 174.24 2qgd n PRO 24 N -0.21 1.03 -3.18 4.02 -0.04 -1.26 -0.30 135.00 135.07 2qgd n PRO 24 Ca -0.11 0.41 -0.43 0.00 -0.04 0.00 0.00 63.50 63.32 2qgd n PRO 24 Cb 0.63 -2.41 -0.07 0.00 -0.04 0.00 0.00 33.50 31.60 2qgd n PRO 24 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2qgd s ALA 25 N -1.43 3.38 0.03 0.55 0.00 -0.21 -4.55 121.76 119.53 2qgd s ALA 25 Ca 0.81 -1.48 -0.08 0.00 0.00 0.00 0.00 51.96 51.20 2qgd s ALA 25 Cb -0.39 -3.26 -0.05 0.00 0.00 0.00 0.00 23.12 19.42 2qgd s ALA 25 CO 0.42 -1.82 0.33 0.42 0.00 0.00 0.00 175.76 175.11 2qgd s ILE 26 N 2.58 5.20 -1.38 0.00 1.01 -1.26 -4.35 121.20 123.00 2qgd s ILE 26 Ca 0.17 0.33 -0.05 0.00 0.00 0.00 0.00 60.65 61.10 2qgd s ILE 26 Cb -0.17 -3.61 0.01 0.00 0.01 0.00 0.00 42.46 38.70 2qgd s ILE 26 CO 0.15 0.35 0.68 -3.20 0.00 0.00 0.00 174.94 172.92 2qgd n ASN 27 N 1.09 -5.81 -4.68 3.58 5.15 -0.37 -4.95 115.26 109.26 2qgd n ASN 27 Ca -0.10 -0.31 -0.41 0.00 -0.60 0.00 0.00 54.58 53.16 2qgd n ASN 27 Cb 0.53 -4.59 -0.05 0.00 -0.53 0.00 0.00 39.78 35.14 2qgd n ASN 27 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2qgd s VAL 28 N -3.16 4.95 0.24 3.44 1.01 -1.26 -4.78 120.40 120.83 2qgd s VAL 28 Ca 0.34 1.50 -0.30 0.00 0.00 0.00 0.00 61.98 63.52 2qgd s VAL 28 Cb -0.15 -4.08 -0.09 0.00 0.00 0.00 0.00 36.38 32.07 2qgd s VAL 28 CO 0.42 0.11 1.09 0.00 0.00 0.00 0.00 175.10 176.72 2qgd s ALA 29 N 1.71 3.39 -0.06 5.51 0.00 -1.26 -1.34 121.76 129.72 2qgd s ALA 29 Ca 0.36 0.85 0.01 0.00 0.00 0.00 0.00 51.96 53.19 2qgd s ALA 29 Cb -0.17 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.64 2qgd s ALA 29 CO 0.14 -0.17 -0.05 0.08 0.00 0.00 0.00 175.76 175.76 2qgd s VAL 30 N -0.78 0.64 -0.09 0.00 1.01 0.11 -0.98 120.40 120.31 2qgd s VAL 30 Ca 0.46 -0.15 0.05 0.00 0.00 0.00 0.00 61.98 62.34 2qgd s VAL 30 Cb -0.31 -0.66 -0.00 0.00 0.00 0.00 0.00 36.38 35.41 2qgd s VAL 30 CO 0.38 0.26 -0.24 -1.00 0.00 0.00 0.00 175.10 174.50 2qgd s HIS 31 N 1.08 2.52 -0.08 5.22 3.76 -0.08 -1.26 115.29 126.46 2qgd s HIS 31 Ca -0.08 -0.96 0.02 0.00 -0.15 0.00 0.00 55.06 53.88 2qgd s HIS 31 Cb -0.14 -1.68 -0.02 0.00 1.11 0.00 0.00 32.58 31.85 2qgd s HIS 31 CO -0.01 -0.37 -0.13 0.08 -0.85 0.00 0.00 174.74 173.47 2qgd s VAL 32 N 0.21 3.14 0.17 -0.90 1.01 0.18 -0.46 120.40 123.75 2qgd s VAL 32 Ca -0.15 -0.67 0.09 0.00 0.00 0.00 0.00 61.98 61.25 2qgd s VAL 32 Cb -0.17 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.90 2qgd s VAL 32 CO 0.08 0.56 -0.19 -0.36 0.00 0.00 0.00 175.10 175.19 2qgd s PHE 33 N -0.30 1.91 -0.03 5.22 0.40 0.14 -0.76 117.98 124.56 2qgd s PHE 33 Ca 0.03 -0.45 0.04 0.00 -0.60 0.00 0.00 56.93 55.95 2qgd s PHE 33 Cb -0.13 -0.95 -0.01 0.00 0.51 0.00 0.00 43.02 42.45 2qgd s PHE 33 CO 0.03 0.36 -0.16 0.50 0.70 0.00 0.00 175.22 176.64 2qgd s ARG 34 N -2.74 1.59 -0.05 0.44 3.52 -0.05 -0.97 118.95 120.69 2qgd s ARG 34 Ca 0.16 -0.58 -0.30 0.00 -0.13 0.00 0.00 55.73 54.88 2qgd s ARG 34 Cb -0.06 -1.43 -0.04 0.00 -1.56 0.00 0.00 34.95 31.85 2qgd s ARG 34 CO 0.07 0.27 1.36 0.21 -0.81 0.00 0.00 175.30 176.40 2qgd s LYS 35 N -0.08 4.27 0.85 5.12 2.20 0.09 -0.95 119.74 131.24 2qgd s LYS 35 Ca -0.01 1.87 -0.12 0.00 -0.36 0.00 0.00 55.97 57.35 2qgd s LYS 35 Cb -0.10 -3.66 0.12 0.00 -1.51 0.00 0.00 37.83 32.68 2qgd s LYS 35 CO 0.01 -0.61 1.20 0.00 -0.36 0.00 0.00 175.35 175.59 2qgd s ALA 36 N 2.80 2.62 0.45 3.13 0.00 0.26 -4.72 121.76 126.31 2qgd s ALA 36 Ca 0.61 -0.94 0.11 0.00 0.00 0.00 0.00 51.96 51.75 2qgd s ALA 36 Cb -0.28 -2.80 1.02 0.00 0.00 0.00 0.00 23.12 21.06 2qgd s ALA 36 CO 0.23 -1.89 2.07 0.00 0.00 0.00 0.00 175.76 176.18 2qgd h ALA 37 N -1.18 1.87 -0.29 0.00 0.00 -1.95 -0.41 119.26 117.29 2qgd h ALA 37 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.45 2qgd h ALA 37 Cb 1.29 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2qgd h ALA 37 CO 0.54 0.10 0.00 -0.40 0.00 0.00 0.00 179.25 179.49 2qgd n ASP 38 N -4.49 2.37 -0.40 0.00 5.75 -1.26 -4.91 116.55 113.61 2qgd n ASP 38 Ca 0.02 -2.19 -0.05 0.00 -0.01 0.00 0.00 54.79 52.56 2qgd n ASP 38 Cb 0.13 -0.39 -0.02 0.00 -1.03 0.00 0.00 41.12 39.81 2qgd n ASP 38 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 2qgd n ASP 39 N 0.38 -4.57 -4.91 -1.12 9.92 -0.16 -5.02 116.55 111.07 2qgd n ASP 39 Ca 0.12 0.13 -0.28 0.00 -0.53 0.00 0.00 54.79 54.23 2qgd n ASP 39 Cb 0.46 -2.53 -0.02 0.00 -0.64 0.00 0.00 41.12 38.39 2qgd n ASP 39 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2qgd s THR 40 N -1.88 4.96 -0.39 -3.53 -4.23 -1.26 -4.81 115.64 104.49 2qgd s THR 40 Ca 0.00 0.12 -0.24 0.00 -1.18 0.00 0.00 61.69 60.40 2qgd s THR 40 Cb 0.00 -3.79 0.02 0.00 1.34 0.00 0.00 72.50 70.07 2qgd s THR 40 CO 0.00 -0.54 0.83 0.26 -0.54 0.00 0.00 174.62 174.62 2qgd s TRP 41 N -2.36 3.06 -0.07 3.99 0.52 -1.26 -0.57 118.94 122.25 2qgd s TRP 41 Ca 0.46 0.51 -0.13 0.00 0.02 0.00 0.00 56.10 56.95 2qgd s TRP 41 Cb -0.10 -3.56 -0.05 0.00 -1.15 0.00 0.00 33.47 28.61 2qgd s TRP 41 CO 0.35 -0.84 0.33 -1.21 0.02 0.00 0.00 176.95 175.60 2qgd s GLU 42 N 3.28 3.93 0.31 4.98 2.02 -0.12 -4.88 118.70 128.22 2qgd s GLU 42 Ca 0.33 0.23 -0.30 0.00 0.02 0.00 0.00 54.97 55.25 2qgd s GLU 42 Cb -0.12 -3.28 -0.12 0.00 0.10 0.00 0.00 34.13 30.71 2qgd s GLU 42 CO 0.19 0.56 1.52 -2.30 0.02 0.00 0.00 175.26 175.26 2qgd n PRO 43 N 2.40 2.56 -0.02 0.39 -0.02 -1.26 -0.87 135.00 138.17 2qgd n PRO 43 Ca -0.14 0.91 -0.04 0.00 -2.02 0.00 0.00 63.50 62.21 2qgd n PRO 43 Cb 0.53 -2.64 -0.02 0.00 -0.02 0.00 0.00 33.50 31.35 2qgd n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2qgd n PHE 44 N 1.58 0.00 -3.59 6.00 7.35 0.06 -4.78 117.46 124.09 2qgd n PHE 44 Ca 0.07 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.70 2qgd n PHE 44 Cb 0.36 -0.15 -0.02 0.00 0.35 0.00 0.00 39.48 40.02 2qgd n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2qgd s ALA 45 N -2.08 -1.79 0.18 3.13 0.00 -0.99 -5.01 121.76 115.22 2qgd s ALA 45 Ca -0.06 0.72 -0.19 0.00 0.00 0.00 0.00 51.96 52.44 2qgd s ALA 45 Cb 0.02 0.48 0.04 0.00 0.00 0.00 0.00 23.12 23.65 2qgd s ALA 45 CO 0.08 -0.81 0.54 -1.54 0.00 0.00 0.00 175.76 174.02 2qgd s SER 46 N -2.64 -0.32 -0.01 0.00 1.04 -1.26 0.48 113.70 110.99 2qgd s SER 46 Ca 0.08 -0.37 -0.02 0.00 0.48 0.00 0.00 55.95 56.12 2qgd s SER 46 Cb -0.01 0.58 0.01 0.00 0.10 0.00 0.00 66.02 66.70 2qgd s SER 46 CO -0.05 -1.03 0.10 0.61 0.98 0.00 0.00 173.24 173.85 2qgd n GLY 47 N -0.34 0.39 3.08 7.32 0.00 -0.39 -4.96 105.19 110.30 2qgd n GLY 47 Ca -0.12 -0.82 -0.19 0.00 0.00 0.00 0.00 46.02 44.89 2qgd n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qgd s LYS 48 N -2.00 0.85 0.43 1.61 -0.14 -1.26 -0.71 119.74 118.52 2qgd s LYS 48 Ca 0.02 -0.56 -0.25 0.00 -1.36 0.00 0.00 55.97 53.83 2qgd s LYS 48 Cb -0.00 -0.82 -0.08 0.00 -1.68 0.00 0.00 37.83 35.25 2qgd s LYS 48 CO -0.00 0.21 1.28 0.95 -0.76 0.00 0.00 175.35 177.03 2qgd s THR 49 N -0.58 2.65 0.24 2.17 -4.23 -0.45 -4.70 115.64 110.74 2qgd s THR 49 Ca 0.02 0.55 -0.04 0.00 -1.18 0.00 0.00 61.69 61.05 2qgd s THR 49 Cb -0.06 -3.31 0.05 0.00 1.34 0.00 0.00 72.50 70.52 2qgd s THR 49 CO 0.00 0.06 0.32 -1.54 -0.54 0.00 0.00 174.62 172.92 2qgd n SER 50 N -0.13 0.07 0.16 3.99 3.41 -0.10 -1.24 113.62 119.79 2qgd n SER 50 Ca 0.05 -1.14 0.13 0.00 -0.26 0.00 0.00 58.87 57.65 2qgd n SER 50 Cb 0.45 -0.24 0.56 0.00 -0.26 0.00 0.00 64.21 64.72 2qgd n SER 50 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2qgd h GLU 51 N 0.00 0.00 -0.01 4.33 4.39 -1.94 -0.09 114.58 121.26 2qgd h GLU 51 Ca -0.10 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.60 2qgd h GLU 51 Cb 0.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 2qgd h GLU 51 CO 0.08 0.00 -0.09 -1.13 -1.16 0.00 0.00 179.01 176.70 2qgd n SER 52 N -2.39 1.24 0.00 1.42 3.41 -1.26 -4.78 113.62 111.26 2qgd n SER 52 Ca 0.01 -1.23 0.00 0.00 -0.26 0.00 0.00 58.87 57.39 2qgd n SER 52 Cb 0.20 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.19 2qgd n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qgd n GLY 53 N 1.23 0.56 3.70 5.00 0.00 -0.05 -4.76 105.19 110.88 2qgd n GLY 53 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 2qgd n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qgd s GLU 54 N -0.16 2.72 -0.25 1.61 2.02 -1.26 -0.80 118.70 122.59 2qgd s GLU 54 Ca 0.00 -0.70 0.00 0.00 0.02 0.00 0.00 54.97 54.29 2qgd s GLU 54 Cb 0.00 -2.63 0.07 0.00 0.10 0.00 0.00 34.13 31.66 2qgd s GLU 54 CO 0.00 0.59 -0.01 -1.17 0.02 0.00 0.00 175.26 174.69 2qgd s LEU 55 N -1.94 2.45 0.29 1.80 2.96 0.36 -0.92 118.68 123.69 2qgd s LEU 55 Ca 0.23 -1.26 0.08 0.00 -0.22 0.00 0.00 54.13 52.96 2qgd s LEU 55 Cb -0.12 -1.07 -0.03 0.00 0.50 0.00 0.00 46.19 45.47 2qgd s LEU 55 CO 0.15 -0.29 0.21 -1.00 -1.32 0.00 0.00 176.35 174.10 2qgd s HIS 56 N 1.47 2.95 0.00 5.38 3.76 -1.26 -2.16 115.29 125.42 2qgd s HIS 56 Ca -0.01 -0.22 0.00 0.00 -0.15 0.00 0.00 55.06 54.67 2qgd s HIS 56 Cb -0.18 -1.56 0.00 0.00 1.11 0.00 0.00 32.58 31.95 2qgd s HIS 56 CO -0.09 0.38 0.00 0.41 -0.85 0.00 0.00 174.74 174.59 2qgd n GLY 57 N -1.22 0.45 0.32 -2.22 0.00 -1.26 -4.94 105.19 96.33 2qgd n GLY 57 Ca -0.05 -0.72 -0.05 0.00 0.00 0.00 0.00 46.02 45.21 2qgd n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2qgd h LEU 58 N 0.00 0.96 -8.38 0.99 3.38 -1.86 -3.47 115.31 106.93 2qgd h LEU 58 Ca 0.00 -0.16 -0.21 0.00 0.09 0.00 0.00 57.88 57.60 2qgd h LEU 58 Cb 0.00 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.45 2qgd h LEU 58 CO 0.00 0.89 -0.05 0.28 0.09 0.00 0.00 178.44 179.66 2qgd s THR 59 N -5.38 0.00 0.32 0.22 -1.32 -1.26 -4.80 115.64 103.41 2qgd s THR 59 Ca -0.11 -1.42 0.10 0.00 -1.21 0.00 0.00 61.69 59.05 2qgd s THR 59 Cb 0.16 -2.74 -0.06 0.00 -1.51 0.00 0.00 72.50 68.35 2qgd s THR 59 CO 0.82 0.00 -0.13 0.42 -2.21 0.00 0.00 174.62 173.53 2qgd s THR 60 N -2.75 2.27 0.17 5.08 -4.23 -1.26 -4.60 115.64 110.32 2qgd s THR 60 Ca 0.26 -2.27 -0.17 0.00 -1.18 0.00 0.00 61.69 58.33 2qgd s THR 60 Cb -0.02 -2.51 0.11 0.00 1.34 0.00 0.00 72.50 71.41 2qgd s THR 60 CO 0.18 -0.28 1.66 -0.33 -0.54 0.00 0.00 174.62 175.31 2qgd h GLU 61 N 2.13 -0.03 -0.56 3.99 5.08 -2.00 -1.37 114.58 121.81 2qgd h GLU 61 Ca -0.41 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 57.98 2qgd h GLU 61 Cb 1.25 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.47 2qgd h GLU 61 CO 0.67 -0.02 0.34 0.93 -1.00 0.00 0.00 179.01 179.92 2qgd h GLU 62 N -0.04 0.65 0.00 2.33 5.08 -2.03 -2.95 114.58 117.62 2qgd h GLU 62 Ca 0.20 -0.04 -0.17 0.00 -1.00 0.00 0.00 59.36 58.35 2qgd h GLU 62 Cb 0.34 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2qgd h GLU 62 CO -0.45 0.43 -0.81 1.49 -1.00 0.00 0.00 179.01 178.67 2qgd h GLU 63 N 0.67 0.02 -3.71 2.33 4.81 -1.90 -3.39 114.58 113.41 2qgd h GLU 63 Ca 0.23 -0.02 -0.74 0.00 -0.13 0.00 0.00 59.36 58.69 2qgd h GLU 63 Cb 0.03 0.01 -0.13 0.00 0.63 0.00 0.00 28.75 29.29 2qgd h GLU 63 CO -0.10 0.82 2.25 0.34 -0.73 0.00 0.00 179.01 181.59 2qgd n PHE 64 N -3.59 3.19 -1.86 0.92 7.35 -0.54 -4.96 117.46 117.98 2qgd n PHE 64 Ca -0.01 -2.86 -0.30 0.00 -0.76 0.00 0.00 57.45 53.53 2qgd n PHE 64 Cb 0.78 -2.10 0.17 0.00 0.35 0.00 0.00 39.48 38.68 2qgd n PHE 64 CO 0.00 0.00 0.00 0.14 -0.76 0.00 0.00 176.76 176.14 2qgd s VAL 65 N 1.12 1.97 0.51 -2.13 -7.23 -1.26 -4.94 120.40 108.44 2qgd s VAL 65 Ca 0.42 0.00 -0.22 0.00 -1.81 0.00 0.00 61.98 60.37 2qgd s VAL 65 Cb 0.10 -2.96 -0.07 0.00 0.56 0.00 0.00 36.38 34.01 2qgd s VAL 65 CO -0.02 0.00 1.13 1.21 -0.31 0.00 0.00 175.10 177.11 2qgd n GLU 66 N -3.75 1.40 -3.65 4.82 0.00 -1.26 -4.78 120.64 113.41 2qgd n GLU 66 Ca 0.14 0.51 0.00 0.00 0.00 0.00 0.00 57.16 57.81 2qgd n GLU 66 Cb 0.60 -2.28 0.00 0.00 0.00 0.00 0.00 31.44 29.76 2qgd n GLU 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2qgd n GLY 67 N 1.04 -2.17 3.51 8.31 0.00 -1.07 -5.00 105.19 109.81 2qgd n GLY 67 Ca 0.10 -1.20 -0.37 0.00 0.00 0.00 0.00 46.02 44.56 2qgd n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qgd s ILE 68 N -2.14 4.70 0.09 -0.61 1.01 -1.26 -0.86 121.20 122.12 2qgd s ILE 68 Ca 0.00 -0.04 0.08 0.00 0.00 0.00 0.00 60.65 60.69 2qgd s ILE 68 Cb 0.00 -3.21 -0.04 0.00 0.01 0.00 0.00 42.46 39.23 2qgd s ILE 68 CO 0.00 0.32 -0.16 -0.31 0.00 0.00 0.00 174.94 174.79 2qgd s TYR 69 N 1.55 2.60 -0.11 3.97 1.51 -0.09 -0.74 117.35 126.04 2qgd s TYR 69 Ca 0.06 -0.23 0.01 0.00 -1.01 0.00 0.00 57.07 55.91 2qgd s TYR 69 Cb -0.15 -1.41 0.02 0.00 -0.11 0.00 0.00 41.96 40.30 2qgd s TYR 69 CO 0.06 0.36 -0.14 0.21 -1.11 0.00 0.00 175.55 174.92 2qgd s LYS 70 N -1.91 2.13 -0.33 -0.62 2.20 -0.14 -1.40 119.74 119.66 2qgd s LYS 70 Ca 0.18 -0.52 -0.08 0.00 -0.36 0.00 0.00 55.97 55.18 2qgd s LYS 70 Cb -0.11 -1.86 0.02 0.00 -1.51 0.00 0.00 37.83 34.37 2qgd s LYS 70 CO 0.09 -0.11 0.14 0.08 -0.36 0.00 0.00 175.35 175.19 2qgd s VAL 71 N 1.13 4.21 -0.23 4.02 1.01 0.15 -0.68 120.40 130.01 2qgd s VAL 71 Ca -0.04 -0.79 -0.07 0.00 0.00 0.00 0.00 61.98 61.08 2qgd s VAL 71 Cb -0.14 -3.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.94 2qgd s VAL 71 CO -0.04 -0.07 0.06 -0.70 0.00 0.00 0.00 175.10 174.35 2qgd s GLU 72 N 1.51 3.68 -0.23 2.72 2.12 0.39 -0.79 118.70 128.11 2qgd s GLU 72 Ca 0.02 -0.47 -0.06 0.00 0.36 0.00 0.00 54.97 54.82 2qgd s GLU 72 Cb -0.18 -3.27 -0.02 0.00 0.26 0.00 0.00 34.13 30.92 2qgd s GLU 72 CO 0.04 -0.10 0.02 0.42 -0.54 0.00 0.00 175.26 175.10 2qgd s ILE 73 N 1.37 3.91 -1.34 -3.70 1.01 0.32 -0.90 121.20 121.87 2qgd s ILE 73 Ca 0.05 -0.31 -0.13 0.00 0.00 0.00 0.00 60.65 60.26 2qgd s ILE 73 Cb -0.15 -2.81 0.10 0.00 0.01 0.00 0.00 42.46 39.62 2qgd s ILE 73 CO 0.03 0.38 1.93 0.47 0.00 0.00 0.00 174.94 177.76 2qgd n ASP 74 N 4.81 4.62 0.05 3.58 8.00 -0.15 -1.50 116.55 135.95 2qgd n ASP 74 Ca -0.17 -2.96 -0.03 0.00 0.71 0.00 0.00 54.79 52.34 2qgd n ASP 74 Cb 0.51 -1.60 0.21 0.00 -0.02 0.00 0.00 41.12 40.22 2qgd n ASP 74 CO 0.00 0.00 0.00 0.71 -0.39 0.00 0.00 177.20 177.52 2qgd h THR 75 N 4.24 1.28 -0.34 -3.53 1.35 -1.87 -2.94 112.91 111.11 2qgd h THR 75 Ca 0.46 -1.39 -0.04 0.00 -0.55 0.00 0.00 66.41 64.89 2qgd h THR 75 Cb 0.70 1.51 -0.01 0.00 -1.73 0.00 0.00 68.15 68.62 2qgd h THR 75 CO 1.65 0.43 0.04 0.50 -0.25 0.00 0.00 175.52 177.89 2qgd h LYS 76 N 0.33 0.57 -0.97 4.72 3.64 -1.74 -1.98 116.57 121.13 2qgd h LYS 76 Ca 0.04 -0.16 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 2qgd h LYS 76 Cb 0.75 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.46 2qgd h LYS 76 CO 0.06 0.67 0.63 0.77 -2.27 0.00 0.00 179.45 179.30 2qgd h SER 77 N 0.39 1.13 0.08 4.20 0.02 -1.83 0.72 113.55 118.26 2qgd h SER 77 Ca 0.10 -0.04 0.02 0.00 -0.84 0.00 0.00 61.79 61.03 2qgd h SER 77 Cb 0.39 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 2qgd h SER 77 CO 0.01 0.84 -0.23 0.22 -1.14 0.00 0.00 176.83 176.53 2qgd h TYR 78 N 1.33 -0.61 -0.29 3.45 3.20 -1.30 -2.70 116.97 120.05 2qgd h TYR 78 Ca 0.35 0.01 -0.18 0.00 3.14 0.00 0.00 58.73 62.06 2qgd h TYR 78 Cb -0.12 0.26 -0.00 0.00 1.54 0.00 0.00 36.73 38.41 2qgd h TYR 78 CO 0.00 -0.33 -0.52 -1.49 -1.64 0.00 0.00 178.16 174.19 2qgd h TRP 79 N -0.41 1.04 -0.48 -3.82 4.06 -1.02 -2.89 115.95 112.42 2qgd h TRP 79 Ca 0.04 -0.36 0.04 0.00 2.06 0.00 0.00 58.89 60.67 2qgd h TRP 79 Cb 0.45 -0.20 -0.04 0.00 -1.00 0.00 0.00 29.16 28.37 2qgd h TRP 79 CO -0.23 1.17 0.26 0.87 -3.56 0.00 0.00 178.44 176.94 2qgd h LYS 80 N 0.65 0.49 0.00 0.49 1.79 -0.41 0.53 116.57 120.11 2qgd h LYS 80 Ca 0.02 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 2qgd h LYS 80 Cb 1.11 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 31.65 2qgd h LYS 80 CO 0.11 0.33 0.00 0.00 -1.08 0.00 0.00 179.45 178.81 2qgd h ALA 81 N 1.25 1.00 -0.51 3.86 0.00 -1.27 1.59 119.26 125.17 2qgd h ALA 81 Ca 0.21 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.97 2qgd h ALA 81 Cb 0.09 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 17.80 2qgd h ALA 81 CO -0.13 0.00 0.19 1.28 0.00 0.00 0.00 179.25 180.58 2qgd n LEU 82 N -2.62 4.80 -2.23 0.00 4.77 -0.92 -4.88 117.00 115.91 2qgd n LEU 82 Ca 0.01 -2.48 -0.20 0.00 -0.03 0.00 0.00 56.01 53.30 2qgd n LEU 82 Cb 0.21 -0.67 -0.02 0.00 -2.33 0.00 0.00 43.42 40.61 2qgd n LEU 82 CO 0.21 0.66 -0.25 0.61 -1.33 0.00 0.00 177.39 177.29 2qgd n GLY 83 N -0.00 -0.20 3.21 -0.72 0.00 0.53 -4.99 105.19 103.01 2qgd n GLY 83 Ca 0.28 -0.03 -0.28 0.00 0.00 0.00 0.00 46.02 45.99 2qgd n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qgd s ILE 84 N -2.99 1.73 -0.58 -0.61 1.01 0.13 -4.97 121.20 114.92 2qgd s ILE 84 Ca 0.00 -0.89 -0.21 0.00 0.00 0.00 0.00 60.65 59.55 2qgd s ILE 84 Cb 0.00 -1.46 0.07 0.00 0.01 0.00 0.00 42.46 41.08 2qgd s ILE 84 CO 0.00 0.49 0.81 -0.55 0.00 0.00 0.00 174.94 175.69 2qgd s SER 85 N -0.14 6.22 0.57 3.58 0.15 -1.26 -2.26 113.70 120.56 2qgd s SER 85 Ca -0.01 -0.94 0.04 0.00 0.70 0.00 0.00 55.95 55.73 2qgd s SER 85 Cb -0.12 -2.36 0.06 0.00 -1.71 0.00 0.00 66.02 61.89 2qgd s SER 85 CO 0.02 -1.18 0.79 -2.16 1.20 0.00 0.00 173.24 171.92 2qgd s PRO 86 N 3.35 2.33 -0.14 5.44 0.04 -1.26 -5.02 135.00 139.74 2qgd s PRO 86 Ca 0.19 -1.13 -0.27 0.00 0.04 0.00 0.00 61.00 59.83 2qgd s PRO 86 Cb -0.18 -2.53 -0.24 0.00 0.04 0.00 0.00 34.50 31.58 2qgd s PRO 86 CO 0.12 -0.85 0.71 0.35 0.04 0.00 0.00 177.00 177.37 2qgd h PHE 87 N 0.05 0.00 -3.75 0.56 3.57 -1.49 -3.47 116.94 112.41 2qgd h PHE 87 Ca -0.38 0.00 -0.49 0.00 3.53 0.00 0.00 57.97 60.63 2qgd h PHE 87 Cb 1.28 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.01 2qgd h PHE 87 CO 0.24 0.96 0.13 -1.01 -2.23 0.00 0.00 178.31 176.40 2qgd s HIS 88 N -2.19 3.41 0.16 0.41 3.76 -1.26 -4.99 115.29 114.60 2qgd s HIS 88 Ca -0.18 1.17 -0.08 0.00 -0.15 0.00 0.00 55.06 55.83 2qgd s HIS 88 Cb -0.03 -2.52 0.00 0.00 1.11 0.00 0.00 32.58 31.15 2qgd s HIS 88 CO 0.65 -0.02 1.45 0.93 -0.85 0.00 0.00 174.74 176.90 2qgd h GLU 89 N 1.76 0.73 -2.37 1.40 4.39 -1.98 -3.38 114.58 115.13 2qgd h GLU 89 Ca -0.48 -0.46 0.18 0.00 0.34 0.00 0.00 59.36 58.94 2qgd h GLU 89 Cb 1.18 0.06 -0.06 0.00 -0.10 0.00 0.00 28.75 29.82 2qgd h GLU 89 CO 0.64 1.09 0.55 -3.38 -1.16 0.00 0.00 179.01 176.75 2qgd s HIS 90 N -4.05 -0.03 -0.13 4.33 -3.43 -1.26 -3.40 115.29 107.31 2qgd s HIS 90 Ca -0.09 -0.31 0.01 0.00 -0.80 0.00 0.00 55.06 53.88 2qgd s HIS 90 Cb 0.11 0.66 -0.01 0.00 -1.43 0.00 0.00 32.58 31.91 2qgd s HIS 90 CO 0.87 -0.85 -0.18 0.00 -2.00 0.00 0.00 174.74 172.59 2qgd s ALA 91 N -2.74 2.42 -0.04 -1.38 0.00 -0.56 -4.88 121.76 114.59 2qgd s ALA 91 Ca 0.16 -0.96 0.06 0.00 0.00 0.00 0.00 51.96 51.23 2qgd s ALA 91 Cb -0.02 -1.07 -0.01 0.00 0.00 0.00 0.00 23.12 22.02 2qgd s ALA 91 CO 0.03 0.18 -0.23 -1.21 0.00 0.00 0.00 175.76 174.53 2qgd s GLU 92 N 0.48 2.20 -0.17 0.00 2.02 -1.26 -0.52 118.70 121.45 2qgd s GLU 92 Ca -0.12 -0.84 0.01 0.00 0.02 0.00 0.00 54.97 54.03 2qgd s GLU 92 Cb -0.16 -1.96 0.03 0.00 0.10 0.00 0.00 34.13 32.14 2qgd s GLU 92 CO 0.05 0.41 -0.14 0.08 0.02 0.00 0.00 175.26 175.69 2qgd s VAL 93 N -0.29 1.65 -0.10 2.63 1.01 0.03 -4.98 120.40 120.36 2qgd s VAL 93 Ca 0.01 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.26 2qgd s VAL 93 Cb -0.12 -1.59 0.00 0.00 0.00 0.00 0.00 36.38 34.68 2qgd s VAL 93 CO 0.02 0.39 -0.23 -0.69 0.00 0.00 0.00 175.10 174.59 2qgd s VAL 94 N 1.44 1.98 -0.05 2.92 1.01 -1.26 -0.67 120.40 125.77 2qgd s VAL 94 Ca 0.03 -0.97 -0.28 0.00 0.00 0.00 0.00 61.98 60.76 2qgd s VAL 94 Cb -0.14 -1.72 0.06 0.00 0.00 0.00 0.00 36.38 34.58 2qgd s VAL 94 CO -0.10 0.54 0.63 0.72 0.00 0.00 0.00 175.10 176.89 2qgd s PHE 95 N 0.43 -0.60 0.15 5.22 -0.71 -0.49 -5.00 117.98 116.98 2qgd s PHE 95 Ca -0.17 1.03 -0.30 0.00 -1.04 0.00 0.00 56.93 56.45 2qgd s PHE 95 Cb -0.17 0.36 -0.07 0.00 -1.21 0.00 0.00 43.02 41.93 2qgd s PHE 95 CO 0.07 -0.57 1.02 0.99 -1.34 0.00 0.00 175.22 175.39 2qgd s THR 96 N -1.15 4.21 0.04 -4.49 2.01 -1.26 -0.91 115.64 114.08 2qgd s THR 96 Ca -0.11 1.89 0.07 0.00 0.31 0.00 0.00 61.69 63.85 2qgd s THR 96 Cb -0.01 -4.21 -0.02 0.00 0.01 0.00 0.00 72.50 68.27 2qgd s THR 96 CO 0.09 0.32 -0.21 0.00 -0.69 0.00 0.00 174.62 174.13 2qgd s ALA 97 N -0.19 1.76 -1.60 7.40 0.00 -0.04 -4.83 121.76 124.26 2qgd s ALA 97 Ca 0.47 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.38 2qgd s ALA 97 Cb -0.26 -0.35 0.00 0.00 0.00 0.00 0.00 23.12 22.51 2qgd s ALA 97 CO 0.32 0.40 0.00 0.09 0.00 0.00 0.00 175.76 176.57 2qgd n ASN 98 N 1.86 -4.83 0.00 0.00 3.02 -1.26 -2.61 115.26 111.45 2qgd n ASN 98 Ca -0.17 0.34 0.11 0.00 -0.03 0.00 0.00 54.58 54.83 2qgd n ASN 98 Cb 0.53 -3.71 0.49 0.00 -0.61 0.00 0.00 39.78 36.49 2qgd n ASN 98 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 2qgd n ASP 99 N -0.52 0.00 -1.05 6.41 5.75 -1.26 -2.44 116.55 123.44 2qgd n ASP 99 Ca -0.16 0.40 -0.01 0.00 -0.01 0.00 0.00 54.79 55.01 2qgd n ASP 99 Cb 0.52 -0.46 0.15 0.00 -1.03 0.00 0.00 41.12 40.30 2qgd n ASP 99 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2qgd n SER 100 N -1.46 2.31 0.00 -1.12 7.64 -1.26 -5.08 113.62 114.66 2qgd n SER 100 Ca 0.06 -3.64 0.00 0.00 1.01 0.00 0.00 58.87 56.30 2qgd n SER 100 Cb 0.25 -0.47 0.00 0.00 -1.01 0.00 0.00 64.21 62.98 2qgd n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qgd n GLY 101 N -0.87 0.92 3.73 0.23 0.00 -1.02 -4.98 105.19 103.20 2qgd n GLY 101 Ca 0.23 -2.01 -0.42 0.00 0.00 0.00 0.00 46.02 43.82 2qgd n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qgd s PRO 102 N -1.71 4.14 0.23 1.61 0.04 -1.26 -4.23 135.00 133.81 2qgd s PRO 102 Ca 0.00 2.56 0.04 0.00 0.04 0.00 0.00 61.00 63.64 2qgd s PRO 102 Cb 0.00 -3.06 -0.05 0.00 0.04 0.00 0.00 34.50 31.43 2qgd s PRO 102 CO 0.00 -0.67 -0.02 1.03 0.04 0.00 0.00 177.00 177.37 2qgd s ARG 103 N 0.35 1.34 -0.16 4.56 1.81 -1.26 -4.61 118.95 120.98 2qgd s ARG 103 Ca 0.69 -1.67 -0.06 0.00 -1.72 0.00 0.00 55.73 52.97 2qgd s ARG 103 Cb -0.48 -0.70 -0.04 0.00 -0.45 0.00 0.00 34.95 33.28 2qgd s ARG 103 CO 0.40 -0.05 0.06 1.03 -0.68 0.00 0.00 175.30 176.05 2qgd s ARG 104 N -3.83 3.74 -0.12 3.54 0.52 0.13 -4.85 118.95 118.09 2qgd s ARG 104 Ca 0.27 -0.34 0.03 0.00 -0.52 0.00 0.00 55.73 55.18 2qgd s ARG 104 Cb 0.05 -3.13 0.01 0.00 0.52 0.00 0.00 34.95 32.40 2qgd s ARG 104 CO 0.08 0.41 -0.22 0.71 0.02 0.00 0.00 175.30 176.30 2qgd s TYR 105 N -0.01 2.54 -0.18 -0.53 1.51 0.15 -0.99 117.35 119.84 2qgd s TYR 105 Ca 0.06 -1.16 -0.02 0.00 -1.01 0.00 0.00 57.07 54.93 2qgd s TYR 105 Cb -0.12 -1.72 -0.01 0.00 -0.11 0.00 0.00 41.96 40.00 2qgd s TYR 105 CO 0.01 -0.51 -0.08 0.99 -1.11 0.00 0.00 175.55 174.85 2qgd s THR 106 N 0.60 3.22 -0.32 -0.71 2.01 0.11 -0.93 115.64 119.62 2qgd s THR 106 Ca -0.13 -0.57 -0.09 0.00 0.31 0.00 0.00 61.69 61.22 2qgd s THR 106 Cb -0.17 -2.42 0.01 0.00 0.01 0.00 0.00 72.50 69.93 2qgd s THR 106 CO 0.03 0.47 0.13 -0.63 -0.69 0.00 0.00 174.62 173.94 2qgd s ILE 107 N 1.00 4.31 -0.04 1.82 -1.09 -0.16 -1.13 121.20 125.91 2qgd s ILE 107 Ca -0.01 -0.64 0.02 0.00 -2.23 0.00 0.00 60.65 57.79 2qgd s ILE 107 Cb -0.15 -3.26 -0.03 0.00 -1.58 0.00 0.00 42.46 37.45 2qgd s ILE 107 CO -0.01 0.00 -0.06 0.00 -1.23 0.00 0.00 174.94 173.65 2qgd s ALA 108 N 1.55 3.04 -0.01 9.38 0.00 -0.43 -1.00 121.76 134.29 2qgd s ALA 108 Ca 0.03 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 51.06 2qgd s ALA 108 Cb -0.18 -1.22 0.00 0.00 0.00 0.00 0.00 23.12 21.73 2qgd s ALA 108 CO 0.05 0.60 -0.04 0.00 0.00 0.00 0.00 175.76 176.36 2qgd s ALA 109 N -0.91 0.41 -0.19 0.00 0.00 -0.21 -1.37 121.76 119.49 2qgd s ALA 109 Ca 0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 51.96 51.94 2qgd s ALA 109 Cb -0.11 -0.14 0.01 0.00 0.00 0.00 0.00 23.12 22.87 2qgd s ALA 109 CO 0.05 0.08 -0.14 -1.17 0.00 0.00 0.00 175.76 174.57 2qgd s LEU 110 N 0.07 2.44 -0.09 0.00 2.96 0.41 -0.92 118.68 123.54 2qgd s LEU 110 Ca -0.00 -0.54 -0.00 0.00 -0.22 0.00 0.00 54.13 53.36 2qgd s LEU 110 Cb -0.04 -1.58 -0.03 0.00 0.50 0.00 0.00 46.19 45.04 2qgd s LEU 110 CO -0.00 -0.00 -0.06 -0.76 -1.32 0.00 0.00 176.35 174.21 2qgd s LEU 111 N 1.33 3.19 0.22 -0.68 1.43 -0.02 -1.45 118.68 122.71 2qgd s LEU 111 Ca 0.05 -0.04 0.04 0.00 -1.03 0.00 0.00 54.13 53.15 2qgd s LEU 111 Cb -0.14 -1.71 -0.05 0.00 0.03 0.00 0.00 46.19 44.32 2qgd s LEU 111 CO -0.08 0.32 -0.04 -0.44 0.23 0.00 0.00 176.35 176.33 2qgd s SER 112 N -0.53 2.00 0.42 2.29 0.01 0.03 -0.80 113.70 117.11 2qgd s SER 112 Ca 0.08 -1.16 0.10 0.00 1.31 0.00 0.00 55.95 56.27 2qgd s SER 112 Cb -0.12 -0.03 0.92 0.00 0.21 0.00 0.00 66.02 67.00 2qgd s SER 112 CO 0.02 -0.43 2.03 -0.65 0.41 0.00 0.00 173.24 174.61 2qgd h PRO 113 N 2.51 0.49 -0.12 12.44 0.11 -1.99 -2.96 132.00 142.48 2qgd h PRO 113 Ca -0.38 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2qgd h PRO 113 Cb 1.22 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2qgd h PRO 113 CO 0.65 0.33 0.00 0.66 -0.21 0.00 0.00 178.00 179.42 2qgd n TYR 114 N -4.47 0.32 -3.54 0.65 4.02 -1.26 -1.14 117.16 111.74 2qgd n TYR 114 Ca 0.06 -0.77 -0.17 0.00 -0.01 0.00 0.00 57.90 57.01 2qgd n TYR 114 Cb 0.18 -0.15 -0.06 0.00 -0.02 0.00 0.00 39.34 39.29 2qgd n TYR 114 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 2qgd s SER 115 N -1.90 -0.67 0.04 7.72 0.15 -1.12 -4.96 113.70 112.97 2qgd s SER 115 Ca 0.26 0.82 -0.06 0.00 0.70 0.00 0.00 55.95 57.67 2qgd s SER 115 Cb 0.20 0.68 -0.01 0.00 -1.71 0.00 0.00 66.02 65.18 2qgd s SER 115 CO 0.06 -0.55 0.12 -0.72 1.20 0.00 0.00 173.24 173.35 2qgd s TYR 116 N -0.95 0.18 -0.00 3.44 1.13 -1.26 -0.79 117.35 119.10 2qgd s TYR 116 Ca -0.09 -0.49 0.07 0.00 -1.41 0.00 0.00 57.07 55.15 2qgd s TYR 116 Cb -0.01 -0.12 -0.02 0.00 -1.10 0.00 0.00 41.96 40.71 2qgd s TYR 116 CO 0.08 -0.40 -0.23 -1.12 -2.51 0.00 0.00 175.55 171.38 2qgd s SER 117 N -2.23 2.71 0.02 -0.18 0.01 -0.53 -4.98 113.70 108.52 2qgd s SER 117 Ca -0.03 -0.45 0.02 0.00 1.31 0.00 0.00 55.95 56.79 2qgd s SER 117 Cb -0.00 -0.28 -0.01 0.00 0.21 0.00 0.00 66.02 65.93 2qgd s SER 117 CO -0.05 0.26 -0.06 0.28 0.41 0.00 0.00 173.24 174.08 2qgd s THR 118 N -0.61 0.44 0.08 1.44 -1.32 -1.26 -0.45 115.64 113.96 2qgd s THR 118 Ca 0.09 -0.67 -0.02 0.00 -1.21 0.00 0.00 61.69 59.88 2qgd s THR 118 Cb -0.09 -0.45 -0.04 0.00 -1.51 0.00 0.00 72.50 70.41 2qgd s THR 118 CO -0.00 -0.17 0.02 0.28 -2.21 0.00 0.00 174.62 172.54 2qgd s THR 119 N -0.81 0.18 -0.01 5.08 -1.32 -0.47 -5.01 115.64 113.28 2qgd s THR 119 Ca -0.05 -1.78 0.07 0.00 -1.21 0.00 0.00 61.69 58.72 2qgd s THR 119 Cb -0.06 -1.66 -0.02 0.00 -1.51 0.00 0.00 72.50 69.25 2qgd s THR 119 CO 0.00 -0.81 -0.23 0.00 -2.21 0.00 0.00 174.62 171.37 2qgd s ALA 120 N -3.95 1.95 -0.24 11.08 0.00 -1.26 -1.32 121.76 128.02 2qgd s ALA 120 Ca 0.12 -1.02 -0.01 0.00 0.00 0.00 0.00 51.96 51.05 2qgd s ALA 120 Cb 0.08 -0.48 0.03 0.00 0.00 0.00 0.00 23.12 22.74 2qgd s ALA 120 CO -0.07 0.47 -0.09 0.08 0.00 0.00 0.00 175.76 176.16 2qgd s VAL 121 N -0.58 2.66 -0.19 0.00 1.01 -0.29 -4.99 120.40 118.02 2qgd s VAL 121 Ca 0.09 -1.07 -0.01 0.00 0.00 0.00 0.00 61.98 60.99 2qgd s VAL 121 Cb -0.09 -2.34 0.01 0.00 0.00 0.00 0.00 36.38 33.96 2qgd s VAL 121 CO -0.01 0.23 -0.14 -0.69 0.00 0.00 0.00 175.10 174.50 2qgd s VAL 122 N 1.29 2.60 0.16 2.92 1.01 -1.26 -0.71 120.40 126.42 2qgd s VAL 122 Ca -0.00 -0.76 0.09 0.00 0.00 0.00 0.00 61.98 61.31 2qgd s VAL 122 Cb -0.16 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 2qgd s VAL 122 CO -0.06 0.49 -0.20 0.42 0.00 0.00 0.00 175.10 175.75 2qgd s THR 123 N 1.33 1.97 -0.31 3.92 -4.23 -0.16 -4.97 115.64 113.18 2qgd s THR 123 Ca 0.05 -1.90 -0.09 0.00 -1.18 0.00 0.00 61.69 58.57 2qgd s THR 123 Cb -0.14 -1.89 0.00 0.00 1.34 0.00 0.00 72.50 71.82 2qgd s THR 123 CO -0.08 -0.22 0.13 0.21 -0.54 0.00 0.00 174.62 174.12 2qgd s ASN 124 N -2.56 5.40 0.00 3.99 3.84 -1.26 -0.69 114.94 123.66 2qgd s ASN 124 Ca 0.16 -0.66 0.17 0.00 0.21 0.00 0.00 52.86 52.74 2qgd s ASN 124 Cb -0.07 -1.95 1.00 0.00 -0.55 0.00 0.00 41.25 39.68 2qgd s ASN 124 CO 0.07 -0.22 1.41 -0.81 -2.79 0.00 0.00 177.10 174.76