#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gqs s ARG 4 N 0.00 2.57 0.01 4.33 3.52 -0.73 -4.94 118.95 123.71 3gqs s ARG 4 Ca 0.00 -1.17 -0.07 0.00 -0.13 0.00 0.00 55.73 54.37 3gqs s ARG 4 Cb 0.00 -3.12 -0.05 0.00 -1.56 0.00 0.00 34.95 30.22 3gqs s ARG 4 CO 0.00 -0.55 0.28 -0.06 -0.81 0.00 0.00 175.30 174.16 3gqs s PHE 5 N 1.28 3.58 0.01 5.12 0.08 -1.26 -0.95 117.98 125.84 3gqs s PHE 5 Ca -0.03 0.59 0.02 0.00 0.12 0.00 0.00 56.93 57.63 3gqs s PHE 5 Cb -0.19 -2.00 -0.01 0.00 -0.57 0.00 0.00 43.02 40.25 3gqs s PHE 5 CO -0.02 0.61 -0.07 -0.51 -0.10 0.00 0.00 175.22 175.13 3gqs s LEU 6 N -1.75 2.09 -0.28 -0.37 1.02 -0.19 -1.52 118.68 117.69 3gqs s LEU 6 Ca 0.28 -0.25 -0.13 0.00 0.02 0.00 0.00 54.13 54.04 3gqs s LEU 6 Cb -0.13 -0.29 -0.04 0.00 0.02 0.00 0.00 46.19 45.74 3gqs s LEU 6 CO 0.16 -0.00 0.28 -0.22 0.02 0.00 0.00 176.35 176.59 3gqs s LEU 7 N -0.60 4.03 -0.15 1.79 0.20 0.12 -1.64 118.68 122.44 3gqs s LEU 7 Ca -0.01 0.14 -0.02 0.00 0.69 0.00 0.00 54.13 54.93 3gqs s LEU 7 Cb -0.05 -2.28 -0.02 0.00 -0.43 0.00 0.00 46.19 43.42 3gqs s LEU 7 CO 0.00 -0.12 -0.09 -1.59 -0.29 0.00 0.00 176.35 174.26 3gqs s LYS 8 N 1.92 3.46 -0.09 1.98 -2.85 0.40 -1.71 119.74 122.85 3gqs s LYS 8 Ca 0.11 -0.63 -0.30 0.00 -1.00 0.00 0.00 55.97 54.15 3gqs s LYS 8 Cb -0.16 -2.76 -0.02 0.00 -2.06 0.00 0.00 37.83 32.83 3gqs s LYS 8 CO 0.10 0.16 1.04 0.08 0.10 0.00 0.00 175.35 176.84 3gqs s VAL 9 N 0.51 4.69 -0.09 1.79 1.01 -0.26 -1.77 120.40 126.28 3gqs s VAL 9 Ca -0.07 1.96 0.15 0.00 0.00 0.00 0.00 61.98 64.02 3gqs s VAL 9 Cb -0.15 -4.26 -0.22 0.00 0.00 0.00 0.00 36.38 31.74 3gqs s VAL 9 CO 0.04 0.01 0.53 0.18 0.00 0.00 0.00 175.10 175.85 3gqs n LEU 10 N 4.99 0.62 0.00 3.92 4.77 -0.26 -1.62 117.00 129.42 3gqs n LEU 10 Ca 0.09 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.36 3gqs n LEU 10 Cb 0.48 0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.81 3gqs n LEU 10 CO 0.53 0.37 0.00 0.00 -1.33 0.00 0.00 177.39 176.96 3gqs n ALA 11 N -2.58 0.00 0.00 -1.18 0.00 -1.23 -4.73 120.51 110.79 3gqs n ALA 11 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3gqs n ALA 11 Cb 1.04 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.49 3gqs n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gqs n ALA 13 N -0.23 0.00 -1.91 0.00 0.00 -1.26 -1.54 120.51 115.57 3gqs n ALA 13 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 3gqs n ALA 13 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 3gqs n ALA 13 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3gqs n ASN 14 N 0.00 4.42 -4.51 0.00 6.94 -1.26 -5.00 115.26 115.84 3gqs n ASN 14 Ca 0.00 -3.78 -0.50 0.00 -0.02 0.00 0.00 54.58 50.28 3gqs n ASN 14 Cb 0.00 -0.41 -0.04 0.00 -2.36 0.00 0.00 39.78 36.97 3gqs n ASN 14 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3gqs n ILE 15 N -0.80 1.19 0.00 1.53 0.13 -1.26 -3.07 119.36 117.08 3gqs n ILE 15 Ca 0.40 -0.30 0.00 0.00 -1.10 0.00 0.00 62.75 61.75 3gqs n ILE 15 Cb 0.91 -0.44 0.00 0.00 -0.84 0.00 0.00 39.64 39.27 3gqs n ILE 15 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3gqs n GLY 16 N 1.81 3.10 3.52 4.50 0.00 -0.64 -4.99 105.19 112.48 3gqs n GLY 16 Ca 0.16 -0.96 -0.52 0.00 0.00 0.00 0.00 46.02 44.71 3gqs n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqs n ALA 17 N 0.00 -2.10 -3.75 4.61 0.00 -1.17 -4.65 120.51 113.44 3gqs n ALA 17 Ca 0.00 0.50 -0.15 0.00 0.00 0.00 0.00 53.44 53.79 3gqs n ALA 17 Cb 0.00 -1.86 -0.15 0.00 0.00 0.00 0.00 19.45 17.44 3gqs n ALA 17 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3gqs s GLU 18 N -0.37 0.02 -0.07 0.00 2.12 -1.26 -1.10 118.70 118.05 3gqs s GLU 18 Ca 0.77 0.29 0.00 0.00 0.36 0.00 0.00 54.97 56.39 3gqs s GLU 18 Cb -1.00 -0.23 0.02 0.00 0.26 0.00 0.00 34.13 33.19 3gqs s GLU 18 CO 0.54 -0.18 -0.04 -0.06 -0.54 0.00 0.00 175.26 174.99 3gqs s PHE 19 N 1.21 0.87 -0.04 5.30 0.08 -0.69 -4.95 117.98 119.76 3gqs s PHE 19 Ca -0.08 -0.29 -0.30 0.00 0.12 0.00 0.00 56.93 56.38 3gqs s PHE 19 Cb -0.12 -0.82 -0.05 0.00 -0.57 0.00 0.00 43.02 41.45 3gqs s PHE 19 CO -0.04 -0.29 1.50 -1.58 -0.10 0.00 0.00 175.22 174.70 3gqs s HIS 20 N 1.40 2.48 -0.32 0.36 5.65 -1.26 -0.70 115.29 122.90 3gqs s HIS 20 Ca -0.03 0.57 -0.10 0.00 0.25 0.00 0.00 55.06 55.74 3gqs s HIS 20 Cb -0.13 -3.76 -0.01 0.00 -1.18 0.00 0.00 32.58 27.50 3gqs s HIS 20 CO -0.03 -2.99 0.17 -0.51 -0.65 0.00 0.00 174.74 170.74 3gqs s LEU 21 N 3.21 4.23 0.44 8.88 1.43 -0.57 -4.94 118.68 131.35 3gqs s LEU 21 Ca 0.67 -0.53 -0.22 0.00 -1.03 0.00 0.00 54.13 53.02 3gqs s LEU 21 Cb -0.31 -2.03 -0.09 0.00 0.03 0.00 0.00 46.19 43.78 3gqs s LEU 21 CO 0.26 -0.21 1.02 -1.81 0.23 0.00 0.00 176.35 175.84 3gqs s ASP 22 N 1.63 6.64 0.27 2.29 1.01 -1.26 -4.31 116.67 122.94 3gqs s ASP 22 Ca 0.05 1.93 -0.29 0.00 0.71 0.00 0.00 52.55 54.94 3gqs s ASP 22 Cb -0.17 -2.57 -0.09 0.00 1.01 0.00 0.00 42.92 41.10 3gqs s ASP 22 CO 0.07 -0.57 1.21 -0.94 0.21 0.00 0.00 175.17 175.15 3gqs s SER 23 N -1.83 7.03 -0.00 0.27 1.04 -1.26 -2.38 113.70 116.57 3gqs s SER 23 Ca 0.62 2.41 0.00 0.00 0.48 0.00 0.00 55.95 59.46 3gqs s SER 23 Cb -0.17 -2.63 0.00 0.00 0.10 0.00 0.00 66.02 63.32 3gqs s SER 23 CO 0.22 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.69 3gqs n GLY 24 N 1.44 0.48 3.51 7.32 0.00 0.97 -4.89 105.19 114.03 3gqs n GLY 24 Ca 0.01 -0.05 -0.24 0.00 0.00 0.00 0.00 46.02 45.75 3gqs n GLY 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gqs s LYS 25 N -0.15 1.83 -0.04 1.61 1.02 -1.00 -4.91 119.74 118.09 3gqs s LYS 25 Ca 0.00 -1.69 0.07 0.00 0.02 0.00 0.00 55.97 54.37 3gqs s LYS 25 Cb 0.00 -1.86 -0.02 0.00 -0.52 0.00 0.00 37.83 35.43 3gqs s LYS 25 CO 0.00 0.33 -0.25 0.99 -0.92 0.00 0.00 175.35 175.50 3gqs s THR 26 N -2.47 2.11 -0.04 2.17 2.01 -1.26 -0.45 115.64 117.71 3gqs s THR 26 Ca 0.30 -1.07 0.02 0.00 0.31 0.00 0.00 61.69 61.26 3gqs s THR 26 Cb -0.05 -1.75 0.01 0.00 0.01 0.00 0.00 72.50 70.72 3gqs s THR 26 CO 0.16 0.57 -0.08 -0.31 -0.69 0.00 0.00 174.62 174.28 3gqs s TYR 27 N -0.36 0.94 -0.18 4.92 2.02 0.32 -4.95 117.35 120.07 3gqs s TYR 27 Ca 0.02 -0.27 -0.12 0.00 -0.37 0.00 0.00 57.07 56.33 3gqs s TYR 27 Cb -0.12 -0.73 -0.05 0.00 -0.40 0.00 0.00 41.96 40.66 3gqs s TYR 27 CO 0.02 -0.17 0.20 0.42 -1.57 0.00 0.00 175.55 174.45 3gqs s ILE 28 N 0.57 5.37 -0.21 2.71 1.01 -1.26 -0.71 121.20 128.67 3gqs s ILE 28 Ca -0.09 0.34 -0.07 0.00 0.00 0.00 0.00 60.65 60.84 3gqs s ILE 28 Cb -0.12 -3.54 -0.03 0.00 0.01 0.00 0.00 42.46 38.78 3gqs s ILE 28 CO 0.01 0.43 0.05 -0.69 0.00 0.00 0.00 174.94 174.73 3gqs s VAL 29 N 0.35 4.32 0.11 2.92 1.01 0.32 -0.80 120.40 128.64 3gqs s VAL 29 Ca 0.12 -0.18 -0.08 0.00 0.00 0.00 0.00 61.98 61.84 3gqs s VAL 29 Cb -0.12 -2.98 0.03 0.00 0.00 0.00 0.00 36.38 33.31 3gqs s VAL 29 CO 0.01 0.40 0.40 0.61 0.00 0.00 0.00 175.10 176.51 3gqs n GLY 30 N 4.33 1.23 0.03 4.51 0.00 -0.75 -1.09 105.19 113.46 3gqs n GLY 30 Ca -0.17 -1.06 0.11 0.00 0.00 0.00 0.00 46.02 44.91 3gqs n GLY 30 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3gqs n SER 31 N -1.02 0.50 -4.52 1.61 3.41 -0.20 -0.58 113.62 112.81 3gqs n SER 31 Ca -0.02 -0.15 -0.41 0.00 -0.26 0.00 0.00 58.87 58.03 3gqs n SER 31 Cb 0.25 1.14 -0.10 0.00 -0.26 0.00 0.00 64.21 65.24 3gqs n SER 31 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3gqs s ASP 32 N -4.23 6.13 0.41 4.04 -1.08 -0.95 -4.72 116.67 116.27 3gqs s ASP 32 Ca -0.00 -0.47 0.29 0.00 -0.52 0.00 0.00 52.55 51.85 3gqs s ASP 32 Cb 0.14 -2.17 1.30 0.00 -1.46 0.00 0.00 42.92 40.72 3gqs s ASP 32 CO 0.84 -0.35 1.86 1.55 0.52 0.00 0.00 175.17 179.59 3gqs h PRO 33 N 8.54 0.00 0.00 4.34 0.13 -1.88 0.54 132.00 143.67 3gqs h PRO 33 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3gqs h PRO 33 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 3gqs h PRO 33 CO 0.69 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.50 3gqs n GLN 34 N -2.60 0.06 0.00 0.86 6.02 -1.26 -4.22 117.38 116.24 3gqs n GLN 34 Ca 0.01 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.01 3gqs n GLN 34 Cb 0.20 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.96 3gqs n GLN 34 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 3gqs n VAL 35 N -1.47 0.00 -3.93 5.09 0.24 -0.68 -5.09 118.33 112.49 3gqs n VAL 35 Ca 0.08 0.00 -0.32 0.00 -2.04 0.00 0.00 64.34 62.06 3gqs n VAL 35 Cb 0.32 0.20 -0.05 0.00 -1.47 0.00 0.00 33.84 32.84 3gqs n VAL 35 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gqs s ALA 36 N -1.19 3.95 -0.07 2.33 0.00 0.10 -4.88 121.76 122.00 3gqs s ALA 36 Ca 0.00 -0.81 0.04 0.00 0.00 0.00 0.00 51.96 51.18 3gqs s ALA 36 Cb 0.00 -1.83 -0.25 0.00 0.00 0.00 0.00 23.12 21.05 3gqs s ALA 36 CO 0.00 0.78 0.58 -0.44 0.00 0.00 0.00 175.76 176.68 3gqs h ASP 37 N 3.46 0.19 -3.61 0.00 3.32 -1.29 -3.44 116.42 115.06 3gqs h ASP 37 Ca -0.47 -0.41 -0.69 0.00 0.02 0.00 0.00 57.03 55.48 3gqs h ASP 37 Cb 1.17 -0.06 -0.33 0.00 0.22 0.00 0.00 39.33 40.33 3gqs h ASP 37 CO 0.72 1.37 -0.60 -0.63 -1.72 0.00 0.00 179.24 178.37 3gqs s ILE 38 N -2.59 3.31 -0.28 0.35 1.01 -0.62 -4.98 121.20 117.41 3gqs s ILE 38 Ca -0.12 -1.67 -0.13 0.00 0.00 0.00 0.00 60.65 58.74 3gqs s ILE 38 Cb 0.07 -3.08 -0.04 0.00 0.01 0.00 0.00 42.46 39.42 3gqs s ILE 38 CO 0.81 -0.41 0.28 -0.69 0.00 0.00 0.00 174.94 174.92 3gqs s VAL 39 N 1.23 5.24 -0.19 2.92 1.01 -1.26 -1.81 120.40 127.55 3gqs s VAL 39 Ca 0.02 0.31 -0.02 0.00 0.00 0.00 0.00 61.98 62.30 3gqs s VAL 39 Cb -0.21 -3.62 -0.00 0.00 0.00 0.00 0.00 36.38 32.54 3gqs s VAL 39 CO -0.02 0.18 -0.10 -0.76 0.00 0.00 0.00 175.10 174.40 3gqs s LEU 40 N 1.90 2.67 0.00 3.92 1.43 0.25 -4.99 118.68 123.86 3gqs s LEU 40 Ca 0.11 -0.43 0.15 0.00 -1.03 0.00 0.00 54.13 52.93 3gqs s LEU 40 Cb -0.16 -1.65 0.90 0.00 0.03 0.00 0.00 46.19 45.32 3gqs s LEU 40 CO 0.11 0.04 1.48 -1.54 0.23 0.00 0.00 176.35 176.66 3gqs n SER 41 N 4.40 0.00 -4.69 2.29 3.41 -1.26 -3.83 113.62 113.94 3gqs n SER 41 Ca -0.19 -1.23 -0.42 0.00 -0.26 0.00 0.00 58.87 56.77 3gqs n SER 41 Cb 0.51 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.43 3gqs n SER 41 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3gqs s ASP 42 N -1.62 6.90 0.59 4.04 2.15 -1.26 -4.91 116.67 122.56 3gqs s ASP 42 Ca 0.23 2.03 0.29 0.00 0.43 0.00 0.00 52.55 55.53 3gqs s ASP 42 Cb 0.10 -2.56 1.32 0.00 -0.30 0.00 0.00 42.92 41.48 3gqs s ASP 42 CO 0.18 -0.69 1.69 0.24 -0.17 0.00 0.00 175.17 176.42 3gqs h MET 43 N 7.76 0.00 -0.18 4.34 2.86 -2.01 -0.80 114.93 126.91 3gqs h MET 43 Ca -0.37 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.27 3gqs h MET 43 Cb 1.17 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.83 3gqs h MET 43 CO 0.90 0.00 0.00 -1.13 1.06 0.00 0.00 176.91 177.74 3gqs n SER 44 N -3.59 1.96 -4.60 1.22 3.41 -1.26 -4.79 113.62 105.98 3gqs n SER 44 Ca 0.15 -1.75 -0.37 0.00 -0.26 0.00 0.00 58.87 56.65 3gqs n SER 44 Cb 1.03 -0.12 -0.11 0.00 -0.26 0.00 0.00 64.21 64.76 3gqs n SER 44 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3gqs s ILE 45 N -1.77 5.11 0.74 -1.33 1.01 -0.31 -3.96 121.20 120.70 3gqs s ILE 45 Ca 0.33 0.10 -0.15 0.00 0.00 0.00 0.00 60.65 60.93 3gqs s ILE 45 Cb 0.19 -3.40 0.01 0.00 0.01 0.00 0.00 42.46 39.27 3gqs s ILE 45 CO 0.28 0.32 0.95 -1.20 0.00 0.00 0.00 174.94 175.28 3gqs n SER 46 N 4.60 0.33 -0.25 3.58 7.64 -1.26 -4.21 113.62 124.05 3gqs n SER 46 Ca -0.15 0.64 0.05 0.00 1.01 0.00 0.00 58.87 60.41 3gqs n SER 46 Cb 0.52 -1.40 0.18 0.00 -1.01 0.00 0.00 64.21 62.50 3gqs n SER 46 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3gqs h ARG 47 N -0.41 0.37 -3.87 1.43 3.08 -1.93 -0.53 114.38 112.53 3gqs h ARG 47 Ca -0.47 -0.02 -0.44 0.00 0.07 0.00 0.00 59.98 59.12 3gqs h ARG 47 Cb 1.33 -0.08 -0.37 0.00 0.08 0.00 0.00 29.97 30.93 3gqs h ARG 47 CO 0.46 0.25 -0.77 1.14 -1.07 0.00 0.00 179.97 179.97 3gqs s GLN 48 N -6.03 0.80 -0.10 0.04 -2.07 -1.26 -2.24 119.66 108.80 3gqs s GLN 48 Ca -0.13 -0.00 -0.04 0.00 -1.82 0.00 0.00 55.36 53.37 3gqs s GLN 48 Cb 0.20 -1.03 -0.05 0.00 -1.09 0.00 0.00 33.01 31.05 3gqs s GLN 48 CO 0.76 -0.24 -0.12 1.58 -1.32 0.00 0.00 175.29 175.95 3gqs n HIS 49 N 4.82 0.00 -3.89 9.60 -0.00 -0.25 -4.64 115.22 120.87 3gqs n HIS 49 Ca -0.13 0.00 -0.11 0.00 0.46 0.00 0.00 57.72 57.95 3gqs n HIS 49 Cb 0.50 -0.36 -0.10 0.00 -0.12 0.00 0.00 29.99 29.92 3gqs n HIS 49 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 3gqs s ALA 50 N -2.18 -0.25 -0.04 1.57 0.00 -1.10 -0.87 121.76 118.88 3gqs s ALA 50 Ca -0.14 -0.27 0.04 0.00 0.00 0.00 0.00 51.96 51.59 3gqs s ALA 50 Cb 0.05 0.17 -0.00 0.00 0.00 0.00 0.00 23.12 23.34 3gqs s ALA 50 CO 0.18 -0.25 -0.17 0.21 0.00 0.00 0.00 175.76 175.73 3gqs s LYS 51 N -1.85 1.76 -0.20 0.00 2.20 -0.17 -0.52 119.74 120.96 3gqs s LYS 51 Ca -0.11 -0.60 0.00 0.00 -0.36 0.00 0.00 55.97 54.90 3gqs s LYS 51 Cb -0.05 -1.53 0.02 0.00 -1.51 0.00 0.00 37.83 34.76 3gqs s LYS 51 CO -0.01 0.24 -0.16 0.42 -0.36 0.00 0.00 175.35 175.48 3gqs s ILE 52 N 0.05 2.32 -0.26 5.43 1.01 0.11 -1.68 121.20 128.18 3gqs s ILE 52 Ca -0.04 -0.95 -0.05 0.00 0.00 0.00 0.00 60.65 59.61 3gqs s ILE 52 Cb -0.11 -2.05 0.01 0.00 0.01 0.00 0.00 42.46 40.32 3gqs s ILE 52 CO 0.02 0.44 0.01 -0.63 0.00 0.00 0.00 174.94 174.78 3gqs s ILE 53 N 1.30 3.52 -0.37 2.92 1.01 -0.48 -0.52 121.20 128.58 3gqs s ILE 53 Ca 0.03 -0.72 -0.15 0.00 0.00 0.00 0.00 60.65 59.81 3gqs s ILE 53 Cb -0.14 -2.75 -0.00 0.00 0.01 0.00 0.00 42.46 39.58 3gqs s ILE 53 CO -0.10 0.21 0.32 -0.63 0.00 0.00 0.00 174.94 174.74 3gqs s ILE 54 N 1.45 5.21 0.94 2.92 1.09 0.40 -1.54 121.20 131.67 3gqs s ILE 54 Ca 0.03 -0.25 -0.12 0.00 -1.10 0.00 0.00 60.65 59.21 3gqs s ILE 54 Cb -0.16 -3.85 0.16 0.00 -1.06 0.00 0.00 42.46 37.55 3gqs s ILE 54 CO -0.01 -0.16 1.11 -0.83 -0.10 0.00 0.00 174.94 174.94 3gqs s GLY 55 N 1.73 1.58 0.00 6.18 0.00 -0.40 -0.02 107.32 116.39 3gqs s GLY 55 Ca 0.09 -0.37 0.27 0.00 0.00 0.00 0.00 44.72 44.71 3gqs s GLY 55 CO 0.11 0.19 1.95 0.70 0.00 0.00 0.00 173.10 176.06 3gqs n ASN 56 N -3.94 0.00 -2.22 1.64 3.02 -1.26 -3.27 115.26 109.22 3gqs n ASN 56 Ca 0.06 -0.45 -0.22 0.00 -0.03 0.00 0.00 54.58 53.95 3gqs n ASN 56 Cb 0.58 -0.16 0.02 0.00 -0.61 0.00 0.00 39.78 39.61 3gqs n ASN 56 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3gqs n ASP 57 N -1.16 4.42 -0.66 6.41 9.92 -1.26 -4.89 116.55 129.32 3gqs n ASP 57 Ca 0.16 -3.53 -0.09 0.00 -0.53 0.00 0.00 54.79 50.81 3gqs n ASP 57 Cb 0.16 -0.39 -0.04 0.00 -0.64 0.00 0.00 41.12 40.22 3gqs n ASP 57 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 3gqs n ASN 58 N -0.63 -4.37 -4.57 -2.24 4.13 -1.26 -5.01 115.26 101.32 3gqs n ASN 58 Ca 0.38 0.21 -0.32 0.00 1.68 0.00 0.00 54.58 56.54 3gqs n ASN 58 Cb 0.88 -2.63 -0.11 0.00 -1.54 0.00 0.00 39.78 36.39 3gqs n ASN 58 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 3gqs s SER 59 N -2.70 4.47 -0.00 6.41 1.04 -1.26 -5.04 113.70 116.62 3gqs s SER 59 Ca 0.00 -0.22 0.05 0.00 0.48 0.00 0.00 55.95 56.26 3gqs s SER 59 Cb 0.00 -0.97 -0.02 0.00 0.10 0.00 0.00 66.02 65.13 3gqs s SER 59 CO 0.00 0.26 -0.17 -0.69 0.98 0.00 0.00 173.24 173.62 3gqs s VAL 60 N -1.02 1.36 0.07 5.02 1.01 -1.26 -1.28 120.40 124.30 3gqs s VAL 60 Ca 0.17 -0.82 0.09 0.00 0.00 0.00 0.00 61.98 61.43 3gqs s VAL 60 Cb -0.11 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 3gqs s VAL 60 CO 0.08 0.32 -0.24 -0.76 0.00 0.00 0.00 175.10 174.50 3gqs s LEU 61 N -0.58 2.21 0.12 3.92 1.43 -0.59 -1.52 118.68 123.67 3gqs s LEU 61 Ca 0.06 -0.61 0.08 0.00 -1.03 0.00 0.00 54.13 52.63 3gqs s LEU 61 Cb -0.07 -1.13 -0.04 0.00 0.03 0.00 0.00 46.19 44.98 3gqs s LEU 61 CO -0.00 0.19 -0.19 -0.51 0.23 0.00 0.00 176.35 176.07 3gqs s ILE 62 N -0.89 1.67 -0.08 -0.59 2.07 0.11 -1.38 121.20 122.10 3gqs s ILE 62 Ca 0.10 -1.65 -0.07 0.00 -1.41 0.00 0.00 60.65 57.63 3gqs s ILE 62 Cb -0.10 -1.60 0.03 0.00 0.13 0.00 0.00 42.46 40.92 3gqs s ILE 62 CO 0.03 -0.17 0.21 -0.70 -1.91 0.00 0.00 174.94 172.40 3gqs s GLU 63 N -2.21 0.23 -0.12 3.50 2.12 -0.68 -0.47 118.70 121.08 3gqs s GLU 63 Ca 0.09 0.34 -0.21 0.00 0.36 0.00 0.00 54.97 55.54 3gqs s GLU 63 Cb -0.08 0.06 -0.03 0.00 0.26 0.00 0.00 34.13 34.33 3gqs s GLU 63 CO 0.05 -0.06 0.62 0.34 -0.54 0.00 0.00 175.26 175.66 3gqs s ASP 64 N 0.37 6.82 -0.88 -1.70 2.15 -0.73 -1.00 116.67 121.69 3gqs s ASP 64 Ca -0.02 0.98 -0.02 0.00 0.43 0.00 0.00 52.55 53.93 3gqs s ASP 64 Cb -0.04 -2.36 0.34 0.00 -0.30 0.00 0.00 42.92 40.57 3gqs s ASP 64 CO -0.02 -0.12 1.99 0.18 -0.17 0.00 0.00 175.17 177.03 3gqs n LEU 65 N 4.08 7.50 -3.21 -1.34 4.77 -0.05 -4.76 117.00 123.99 3gqs n LEU 65 Ca -0.03 -4.95 -0.23 0.00 -0.03 0.00 0.00 56.01 50.77 3gqs n LEU 65 Cb 0.51 -1.09 0.05 0.00 -2.33 0.00 0.00 43.42 40.56 3gqs n LEU 65 CO 0.45 1.82 0.07 0.61 -1.33 0.00 0.00 177.39 179.01 3gqs n GLY 66 N -0.45 -0.53 3.74 -0.72 0.00 -1.26 -4.73 105.19 101.24 3gqs n GLY 66 Ca 0.53 0.17 -0.35 0.00 0.00 0.00 0.00 46.02 46.36 3gqs n GLY 66 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gqs s SER 67 N -2.89 4.71 0.12 1.61 1.04 -1.26 -4.95 113.70 112.07 3gqs s SER 67 Ca 0.40 2.38 -0.19 0.00 0.48 0.00 0.00 55.95 59.02 3gqs s SER 67 Cb -0.18 -2.59 -0.06 0.00 0.10 0.00 0.00 66.02 63.29 3gqs s SER 67 CO 0.49 -1.92 1.71 0.50 0.98 0.00 0.00 173.24 175.01 3gqs h LYS 68 N 0.31 0.35 -0.01 4.02 3.64 -1.92 -3.33 116.57 119.64 3gqs h LYS 68 Ca -0.49 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 3gqs h LYS 68 Cb 1.30 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 3gqs h LYS 68 CO 0.53 0.32 -0.55 0.09 -2.27 0.00 0.00 179.45 177.57 3gqs n ASN 69 N -4.85 1.42 0.00 4.20 3.02 -1.26 -5.09 115.26 112.70 3gqs n ASN 69 Ca -0.03 -1.21 0.00 0.00 -0.03 0.00 0.00 54.58 53.31 3gqs n ASN 69 Cb 0.08 0.67 0.00 0.00 -0.61 0.00 0.00 39.78 39.91 3gqs n ASN 69 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gqs n GLY 70 N 1.31 -0.60 3.04 7.41 0.00 -1.25 -4.80 105.19 110.30 3gqs n GLY 70 Ca 0.06 -1.75 -0.31 0.00 0.00 0.00 0.00 46.02 44.02 3gqs n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gqs s VAL 71 N -1.30 1.79 -0.21 1.61 1.01 -1.26 -4.52 120.40 117.51 3gqs s VAL 71 Ca 0.00 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 60.97 3gqs s VAL 71 Cb 0.00 -1.75 -0.02 0.00 0.00 0.00 0.00 36.38 34.60 3gqs s VAL 71 CO 0.00 0.33 0.01 -0.63 0.00 0.00 0.00 175.10 174.81 3gqs s ILE 72 N 1.36 3.98 -0.18 2.22 1.01 -0.79 -1.13 121.20 127.67 3gqs s ILE 72 Ca 0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 60.65 60.35 3gqs s ILE 72 Cb -0.15 -2.82 -0.01 0.00 0.01 0.00 0.00 42.46 39.50 3gqs s ILE 72 CO -0.10 0.41 -0.09 -0.69 0.00 0.00 0.00 174.94 174.47 3gqs s VAL 73 N 1.20 3.14 -1.41 2.92 1.01 0.02 -0.08 120.40 127.19 3gqs s VAL 73 Ca 0.03 -0.60 -0.13 0.00 0.00 0.00 0.00 61.98 61.28 3gqs s VAL 73 Cb -0.15 -2.37 0.02 0.00 0.00 0.00 0.00 36.38 33.88 3gqs s VAL 73 CO 0.01 0.48 0.28 -0.62 0.00 0.00 0.00 175.10 175.26 3gqs n GLU 74 N 4.22 -0.79 -0.98 2.72 -0.58 -0.25 -0.10 120.64 124.88 3gqs n GLU 74 Ca -0.18 0.10 0.00 0.00 -0.42 0.00 0.00 57.16 56.66 3gqs n GLU 74 Cb 0.52 -3.23 0.00 0.00 -0.57 0.00 0.00 31.44 28.15 3gqs n GLU 74 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gqs n GLY 75 N -2.37 0.95 3.13 0.62 0.00 -1.26 -5.03 105.19 101.23 3gqs n GLY 75 Ca -0.24 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.50 3gqs n GLY 75 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3gqs s ARG 76 N -0.02 2.23 -0.32 1.61 1.70 0.86 -5.10 118.95 119.91 3gqs s ARG 76 Ca 0.00 -0.65 -0.29 0.00 -0.47 0.00 0.00 55.73 54.32 3gqs s ARG 76 Cb 0.00 -1.79 0.00 0.00 -0.57 0.00 0.00 34.95 32.60 3gqs s ARG 76 CO 0.00 0.15 1.29 0.21 -1.08 0.00 0.00 175.30 175.87 3gqs s LYS 77 N 0.36 3.87 0.29 3.89 2.20 -1.26 -0.80 119.74 128.29 3gqs s LYS 77 Ca -0.13 1.16 -0.29 0.00 -0.36 0.00 0.00 55.97 56.35 3gqs s LYS 77 Cb -0.15 -3.89 -0.10 0.00 -1.51 0.00 0.00 37.83 32.18 3gqs s LYS 77 CO 0.05 -1.18 1.14 0.96 -0.36 0.00 0.00 175.35 175.96 3gqs s ILE 78 N 4.46 3.35 -0.46 5.43 -4.36 -0.29 -4.94 121.20 124.39 3gqs s ILE 78 Ca 0.56 1.35 0.24 0.00 -0.26 0.00 0.00 60.65 62.54 3gqs s ILE 78 Cb -0.15 -3.86 0.11 0.00 1.25 0.00 0.00 42.46 39.80 3gqs s ILE 78 CO 0.24 0.32 1.32 1.05 0.24 0.00 0.00 174.94 178.11 3gqs h GLU 79 N 3.77 0.00 0.00 0.37 -0.00 -1.94 -3.44 114.58 113.34 3gqs h GLU 79 Ca -0.47 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.89 3gqs h GLU 79 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.96 3gqs h GLU 79 CO 0.67 0.00 0.00 -2.39 -0.00 0.00 0.00 179.01 177.29 3gqs n HIS 80 N -2.52 -4.20 -3.72 2.06 -0.00 -1.26 -5.08 115.22 100.49 3gqs n HIS 80 Ca 0.02 1.23 -0.12 0.00 -0.00 0.00 0.00 57.72 58.86 3gqs n HIS 80 Cb 0.50 3.19 -0.13 0.00 -0.00 0.00 0.00 29.99 33.55 3gqs n HIS 80 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.34 175.20 3gqs s GLN 81 N -2.00 0.23 0.17 -1.40 0.74 -1.26 -1.78 119.66 114.37 3gqs s GLN 81 Ca 0.00 0.59 -0.01 0.00 0.05 0.00 0.00 55.36 55.99 3gqs s GLN 81 Cb 0.00 -0.10 -0.04 0.00 1.10 0.00 0.00 33.01 33.97 3gqs s GLN 81 CO 0.00 -0.17 0.11 -1.54 -0.55 0.00 0.00 175.29 173.14 3gqs s SER 82 N 1.37 0.20 0.34 6.67 1.04 0.38 -4.97 113.70 118.74 3gqs s SER 82 Ca -0.09 -1.31 -0.29 0.00 0.48 0.00 0.00 55.95 54.75 3gqs s SER 82 Cb -0.10 0.35 -0.11 0.00 0.10 0.00 0.00 66.02 66.26 3gqs s SER 82 CO -0.09 -0.80 1.39 -0.89 0.98 0.00 0.00 173.24 173.83 3gqs s THR 83 N -4.11 2.44 -0.09 2.02 2.01 -1.26 0.04 115.64 116.68 3gqs s THR 83 Ca 0.33 0.44 0.02 0.00 0.31 0.00 0.00 61.69 62.79 3gqs s THR 83 Cb 0.07 -3.28 0.01 0.00 0.01 0.00 0.00 72.50 69.31 3gqs s THR 83 CO 0.08 0.10 -0.16 -0.22 -0.69 0.00 0.00 174.62 173.74 3gqs s LEU 84 N -1.79 1.75 0.15 4.42 2.96 -0.58 -4.78 118.68 120.81 3gqs s LEU 84 Ca 0.51 -0.41 0.04 0.00 -0.22 0.00 0.00 54.13 54.06 3gqs s LEU 84 Cb -0.43 -1.06 -0.04 0.00 0.50 0.00 0.00 46.19 45.17 3gqs s LEU 84 CO 0.56 0.04 0.16 -0.44 -1.32 0.00 0.00 176.35 175.35 3gqs s SER 85 N 0.79 5.68 0.37 3.68 0.01 -1.26 -4.10 113.70 118.87 3gqs s SER 85 Ca -0.11 -0.06 -0.25 0.00 1.31 0.00 0.00 55.95 56.84 3gqs s SER 85 Cb -0.16 -1.54 -0.13 0.00 0.21 0.00 0.00 66.02 64.41 3gqs s SER 85 CO 0.02 0.08 0.76 0.00 0.41 0.00 0.00 173.24 174.50 3gqs n ALA 86 N -0.31 -0.94 -1.04 1.44 0.00 -1.26 -2.89 120.51 115.50 3gqs n ALA 86 Ca -0.08 0.26 -0.02 0.00 0.00 0.00 0.00 53.44 53.61 3gqs n ALA 86 Cb 0.54 -1.89 -0.01 0.00 0.00 0.00 0.00 19.45 18.10 3gqs n ALA 86 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3gqs n ASN 87 N 1.16 -3.91 -4.57 0.00 5.03 0.13 -4.98 115.26 108.12 3gqs n ASN 87 Ca 0.11 0.04 -0.40 0.00 0.87 0.00 0.00 54.58 55.20 3gqs n ASN 87 Cb 0.36 -1.54 -0.10 0.00 -1.02 0.00 0.00 39.78 37.48 3gqs n ASN 87 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 3gqs s GLN 88 N -1.07 3.76 0.07 3.52 -0.21 -1.14 -4.97 119.66 119.62 3gqs s GLN 88 Ca 0.00 -0.28 -0.31 0.00 0.02 0.00 0.00 55.36 54.79 3gqs s GLN 88 Cb 0.00 -3.74 -0.09 0.00 1.00 0.00 0.00 33.01 30.19 3gqs s GLN 88 CO 0.00 -0.39 1.73 0.08 -2.12 0.00 0.00 175.29 174.59 3gqs s VAL 89 N 1.98 2.93 -0.19 1.09 1.01 -1.26 -4.40 120.40 121.55 3gqs s VAL 89 Ca 0.12 0.34 -0.06 0.00 0.00 0.00 0.00 61.98 62.38 3gqs s VAL 89 Cb -0.16 -3.22 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 3gqs s VAL 89 CO 0.11 -0.01 0.02 -0.69 0.00 0.00 0.00 175.10 174.53 3gqs s VAL 90 N 2.90 4.24 -0.23 2.92 1.01 0.10 -1.09 120.40 130.25 3gqs s VAL 90 Ca 0.77 -0.22 -0.08 0.00 0.00 0.00 0.00 61.98 62.44 3gqs s VAL 90 Cb -0.41 -2.90 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 3gqs s VAL 90 CO 0.34 0.45 0.10 0.00 0.00 0.00 0.00 175.10 175.98 3gqs s ALA 91 N 0.67 3.36 -0.27 5.51 0.00 0.89 -0.59 121.76 131.31 3gqs s ALA 91 Ca 0.01 -0.96 0.02 0.00 0.00 0.00 0.00 51.96 51.02 3gqs s ALA 91 Cb -0.14 -2.12 0.07 0.00 0.00 0.00 0.00 23.12 20.94 3gqs s ALA 91 CO 0.02 -0.23 -0.03 -0.51 0.00 0.00 0.00 175.76 175.01 3gqs s LEU 92 N 1.14 3.33 0.00 0.00 1.43 -0.13 -1.89 118.68 122.57 3gqs s LEU 92 Ca 0.05 -1.52 0.00 0.00 -1.03 0.00 0.00 54.13 51.63 3gqs s LEU 92 Cb -0.14 -1.37 0.00 0.00 0.03 0.00 0.00 46.19 44.71 3gqs s LEU 92 CO 0.04 -0.27 0.00 0.61 0.23 0.00 0.00 176.35 176.96 3gqs n GLY 93 N 4.51 3.07 1.02 -3.19 0.00 -1.25 -1.21 105.19 108.14 3gqs n GLY 93 Ca -0.08 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 45.88 3gqs n GLY 93 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3gqs n THR 94 N 0.00 0.26 -3.38 2.61 -2.24 -1.26 -4.93 114.28 105.34 3gqs n THR 94 Ca 0.00 -0.60 -0.38 0.00 -2.27 0.00 0.00 64.05 60.80 3gqs n THR 94 Cb 0.00 1.15 -0.06 0.00 -2.10 0.00 0.00 70.33 69.32 3gqs n THR 94 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3gqs s THR 95 N -1.74 4.87 -0.04 4.28 2.01 -0.35 -4.95 115.64 119.73 3gqs s THR 95 Ca 0.34 0.99 0.07 0.00 0.31 0.00 0.00 61.69 63.40 3gqs s THR 95 Cb 0.21 -3.80 -0.02 0.00 0.01 0.00 0.00 72.50 68.91 3gqs s THR 95 CO 0.31 0.49 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.72 3gqs s LEU 96 N -1.29 2.10 0.19 4.42 1.43 -0.59 -0.96 118.68 123.98 3gqs s LEU 96 Ca 0.29 -0.47 -0.12 0.00 -1.03 0.00 0.00 54.13 52.80 3gqs s LEU 96 Cb -0.18 -1.37 0.00 0.00 0.03 0.00 0.00 46.19 44.68 3gqs s LEU 96 CO 0.17 0.29 0.39 0.72 0.23 0.00 0.00 176.35 178.15 3gqs s PHE 97 N -0.46 0.23 0.17 0.29 -0.12 0.24 -1.10 117.98 117.24 3gqs s PHE 97 Ca 0.05 -0.59 -0.14 0.00 -0.05 0.00 0.00 56.93 56.21 3gqs s PHE 97 Cb -0.11 0.12 0.01 0.00 -0.63 0.00 0.00 43.02 42.41 3gqs s PHE 97 CO 0.01 -0.82 0.40 -0.48 -0.05 0.00 0.00 175.22 174.28 3gqs s LEU 98 N -2.95 0.52 -0.15 -1.99 0.05 -0.73 0.02 118.68 113.46 3gqs s LEU 98 Ca 0.15 -0.63 -0.09 0.00 0.05 0.00 0.00 54.13 53.62 3gqs s LEU 98 Cb 0.01 1.69 -0.04 0.00 -2.05 0.00 0.00 46.19 45.80 3gqs s LEU 98 CO 0.00 -0.96 0.16 -0.76 -0.55 0.00 0.00 176.35 174.24 3gqs s LEU 99 N -2.90 4.32 0.12 1.48 1.43 -1.26 -0.45 118.68 121.41 3gqs s LEU 99 Ca 0.12 0.40 0.06 0.00 -1.03 0.00 0.00 54.13 53.67 3gqs s LEU 99 Cb 0.01 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 44.08 3gqs s LEU 99 CO -0.03 0.30 -0.01 0.68 0.23 0.00 0.00 176.35 177.52 3gqs s VAL 100 N -0.41 3.84 -0.09 -1.59 -7.23 -0.65 0.22 120.40 114.49 3gqs s VAL 100 Ca 0.13 -1.18 0.01 0.00 -1.81 0.00 0.00 61.98 59.13 3gqs s VAL 100 Cb -0.12 -2.87 0.02 0.00 0.56 0.00 0.00 36.38 33.97 3gqs s VAL 100 CO 0.02 0.03 -0.11 -0.62 -0.31 0.00 0.00 175.10 174.12 3gqs s ASP 101 N -2.55 1.98 -0.48 4.85 2.15 -1.26 -1.02 116.67 120.34 3gqs s ASP 101 Ca 0.26 -0.31 -0.14 0.00 0.43 0.00 0.00 52.55 52.79 3gqs s ASP 101 Cb -0.11 -0.85 0.10 0.00 -0.30 0.00 0.00 42.92 41.76 3gqs s ASP 101 CO 0.18 -0.03 0.40 -0.31 -0.17 0.00 0.00 175.17 175.23 3gqs s TYR 102 N 1.11 3.28 -2.57 -5.34 1.51 -0.13 -4.95 117.35 110.27 3gqs s TYR 102 Ca -0.06 -1.24 0.27 0.00 -1.01 0.00 0.00 57.07 55.03 3gqs s TYR 102 Cb -0.14 -3.35 0.93 0.00 -0.11 0.00 0.00 41.96 39.29 3gqs s TYR 102 CO -0.02 -0.89 1.68 0.00 -1.11 0.00 0.00 175.55 175.21