#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xgq s VAL 2 N 0.00 4.65 0.59 0.58 1.01 -1.26 -0.91 120.40 125.06 1xgq s VAL 2 Ca 0.00 -0.34 -0.14 0.00 0.00 0.00 0.00 61.98 61.50 1xgq s VAL 2 Cb 0.00 -3.34 -0.05 0.00 0.00 0.00 0.00 36.38 32.99 1xgq s VAL 2 CO 0.00 0.11 1.02 -0.36 0.00 0.00 0.00 175.10 175.87 1xgq s PHE 3 N 1.63 3.41 0.46 5.22 0.40 0.03 -4.99 117.98 124.14 1xgq s PHE 3 Ca 0.05 1.40 -0.08 0.00 -0.60 0.00 0.00 56.93 57.70 1xgq s PHE 3 Cb -0.17 -2.81 -0.05 0.00 0.51 0.00 0.00 43.02 40.51 1xgq s PHE 3 CO 0.06 -0.70 0.81 0.20 0.70 0.00 0.00 175.22 176.29 1xgq s GLY 4 N -3.52 1.70 0.08 4.36 0.00 -1.26 -4.81 107.32 103.87 1xgq s GLY 4 Ca 0.58 -0.33 -0.37 0.00 0.00 0.00 0.00 44.72 44.60 1xgq s GLY 4 CO 0.43 -0.15 1.56 -0.09 0.00 0.00 0.00 173.10 174.86 1xgq h ARG 5 N 0.60 -1.04 -0.75 2.90 2.43 -1.97 -0.88 114.38 115.67 1xgq h ARG 5 Ca -0.47 0.07 0.02 0.00 -0.81 0.00 0.00 59.98 58.79 1xgq h ARG 5 Cb 1.20 0.24 -0.04 0.00 -0.42 0.00 0.00 29.97 30.94 1xgq h ARG 5 CO 0.63 -0.69 0.49 0.00 -1.51 0.00 0.00 179.97 178.88 1xgq h GLU 7 N 0.96 0.61 -0.51 0.00 4.81 -1.88 -0.66 114.58 117.91 1xgq h GLU 7 Ca 0.28 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.38 1xgq h GLU 7 Cb -0.04 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.19 1xgq h GLU 7 CO -0.07 0.40 -0.07 1.25 -0.73 0.00 0.00 179.01 179.79 1xgq h LEU 8 N 0.63 0.89 -0.23 1.64 5.85 -0.45 -1.86 115.31 121.78 1xgq h LEU 8 Ca 0.18 -0.27 0.02 0.00 0.84 0.00 0.00 57.88 58.66 1xgq h LEU 8 Cb -0.05 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.71 1xgq h LEU 8 CO -0.05 0.99 0.08 0.00 -0.34 0.00 0.00 178.44 179.13 1xgq h ALA 9 N 1.09 0.26 -0.54 1.25 0.00 -0.57 0.37 119.26 121.13 1xgq h ALA 9 Ca 0.14 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1xgq h ALA 9 Cb 0.59 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1xgq h ALA 9 CO 0.04 -0.33 0.34 0.00 0.00 0.00 0.00 179.25 179.29 1xgq h ALA 10 N 1.14 0.68 -0.43 0.00 0.00 -1.00 -0.23 119.26 119.42 1xgq h ALA 10 Ca 0.10 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1xgq h ALA 10 Cb 0.06 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1xgq h ALA 10 CO -0.10 0.14 0.25 0.00 0.00 0.00 0.00 179.25 179.54 1xgq h ALA 11 N 1.18 0.54 -0.36 0.00 0.00 -0.79 0.28 119.26 120.12 1xgq h ALA 11 Ca 0.19 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1xgq h ALA 11 Cb -0.05 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1xgq h ALA 11 CO -0.04 0.04 0.02 0.52 0.00 0.00 0.00 179.25 179.79 1xgq h MET 12 N 0.56 0.56 -0.43 0.00 2.86 0.08 0.58 114.93 119.14 1xgq h MET 12 Ca 0.15 -0.12 -0.14 0.00 -2.06 0.00 0.00 59.70 57.53 1xgq h MET 12 Cb 0.01 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 1xgq h MET 12 CO -0.03 0.57 -0.29 -0.22 1.06 0.00 0.00 176.91 178.01 1xgq h LYS 13 N 0.54 0.94 -0.75 1.72 3.64 -0.52 -1.70 116.57 120.43 1xgq h LYS 13 Ca 0.12 -0.44 -0.03 0.00 -1.27 0.00 0.00 60.65 59.03 1xgq h LYS 13 Cb 0.32 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.09 1xgq h LYS 13 CO 0.01 1.10 0.35 -0.09 -2.27 0.00 0.00 179.45 178.55 1xgq h ARG 14 N 0.79 1.09 -0.75 1.90 2.43 -0.21 -1.94 114.38 117.69 1xgq h ARG 14 Ca 0.09 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 1xgq h ARG 14 Cb 0.87 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 1xgq h ARG 14 CO 0.08 0.86 0.00 0.72 -1.51 0.00 0.00 179.97 180.12 1xgq n HIS 15 N -4.38 0.11 -3.12 2.20 8.25 0.13 -4.91 115.22 113.51 1xgq n HIS 15 Ca 0.07 -0.04 -0.22 0.00 -0.26 0.00 0.00 57.72 57.26 1xgq n HIS 15 Cb 0.14 -0.10 0.04 0.00 1.12 0.00 0.00 29.99 31.20 1xgq n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1xgq n GLY 16 N 0.17 -0.49 0.05 -1.41 0.00 -0.73 -4.92 105.19 97.85 1xgq n GLY 16 Ca 0.02 0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.28 1xgq n GLY 16 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xgq n LEU 17 N -4.13 0.65 -4.59 0.99 4.77 -0.67 -4.46 117.00 109.57 1xgq n LEU 17 Ca -0.09 0.13 -0.42 0.00 -0.03 0.00 0.00 56.01 55.60 1xgq n LEU 17 Cb 0.61 -0.15 -0.02 0.00 -2.33 0.00 0.00 43.42 41.52 1xgq n LEU 17 CO 0.50 -0.01 1.26 -0.62 -1.33 0.00 0.00 177.39 177.19 1xgq s ASP 18 N -4.05 6.19 0.00 -1.43 2.15 -1.26 -2.49 116.67 115.78 1xgq s ASP 18 Ca 0.05 0.53 0.00 0.00 0.43 0.00 0.00 52.55 53.57 1xgq s ASP 18 Cb 0.14 -2.54 0.00 0.00 -0.30 0.00 0.00 42.92 40.22 1xgq s ASP 18 CO 0.75 -1.61 0.00 -3.20 -0.17 0.00 0.00 175.17 170.94 1xgq n ASN 19 N 9.36 -2.81 -4.69 -0.34 5.15 0.96 -4.84 115.26 118.05 1xgq n ASN 19 Ca 0.15 0.00 -0.42 0.00 -0.60 0.00 0.00 54.58 53.70 1xgq n ASN 19 Cb 0.49 -0.47 -0.03 0.00 -0.53 0.00 0.00 39.78 39.24 1xgq n ASN 19 CO 0.00 0.00 0.00 -0.47 1.40 0.00 0.00 177.26 178.19 1xgq s TYR 20 N -2.00 2.63 -1.75 1.20 5.04 -1.04 -2.36 117.35 119.07 1xgq s TYR 20 Ca 0.00 0.49 -0.17 0.00 -2.44 0.00 0.00 57.07 54.96 1xgq s TYR 20 Cb 0.00 -3.88 0.16 0.00 0.35 0.00 0.00 41.96 38.59 1xgq s TYR 20 CO 0.00 -3.43 0.51 0.54 -1.34 0.00 0.00 175.55 171.83 1xgq n ARG 21 N 5.29 -1.46 0.00 4.97 5.12 -1.26 -1.01 116.66 128.31 1xgq n ARG 21 Ca 0.15 0.20 0.00 0.00 -1.93 0.00 0.00 57.85 56.27 1xgq n ARG 21 Cb 0.41 -4.57 0.00 0.00 -1.16 0.00 0.00 32.46 27.14 1xgq n ARG 21 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xgq n GLY 22 N -1.49 2.30 3.58 -0.13 0.00 -0.99 -5.03 105.19 103.44 1xgq n GLY 22 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1xgq n GLY 22 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xgq s TYR 23 N -2.39 3.11 0.73 1.61 2.02 -0.18 -4.82 117.35 117.42 1xgq s TYR 23 Ca 0.00 0.53 -0.14 0.00 -0.37 0.00 0.00 57.07 57.09 1xgq s TYR 23 Cb 0.00 -3.41 0.04 0.00 -0.40 0.00 0.00 41.96 38.19 1xgq s TYR 23 CO 0.00 -0.75 1.16 -1.54 -1.57 0.00 0.00 175.55 172.85 1xgq s SER 24 N 1.86 4.38 0.23 2.29 1.04 -1.26 -0.03 113.70 122.21 1xgq s SER 24 Ca 0.31 2.17 -0.10 0.00 0.48 0.00 0.00 55.95 58.82 1xgq s SER 24 Cb -0.13 -2.57 0.36 0.00 0.10 0.00 0.00 66.02 63.78 1xgq s SER 24 CO 0.17 -2.13 1.63 0.25 0.98 0.00 0.00 173.24 174.14 1xgq h LEU 25 N -0.43 -0.49 -0.90 2.42 5.85 -1.88 -2.04 115.31 117.84 1xgq h LEU 25 Ca -0.46 0.20 0.22 0.00 0.84 0.00 0.00 57.88 58.67 1xgq h LEU 25 Cb 1.27 0.39 -0.16 0.00 0.37 0.00 0.00 40.66 42.52 1xgq h LEU 25 CO 0.50 -0.20 -0.04 1.23 -0.34 0.00 0.00 178.44 179.59 1xgq h GLY 26 N 0.05 0.98 0.14 3.75 0.00 -1.92 -0.64 103.07 105.44 1xgq h GLY 26 Ca 0.38 0.17 0.12 0.00 0.00 0.00 0.00 47.33 47.99 1xgq h GLY 26 CO -0.69 -0.40 0.12 3.43 0.00 0.00 0.00 176.54 179.00 1xgq h ASN 27 N 0.04 -0.02 0.10 0.19 2.35 -1.59 0.19 115.58 116.84 1xgq h ASN 27 Ca 0.50 0.12 -0.15 0.00 -0.55 0.00 0.00 56.30 56.21 1xgq h ASN 27 Cb 0.93 0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.46 1xgq h ASN 27 CO -0.84 -0.01 -0.55 -0.50 -1.65 0.00 0.00 177.43 173.88 1xgq h TRP 28 N 0.24 0.60 -0.00 1.19 4.06 -1.25 -0.72 115.95 120.06 1xgq h TRP 28 Ca 0.32 -0.21 -0.00 0.00 2.06 0.00 0.00 58.89 61.06 1xgq h TRP 28 Cb 0.49 -0.11 -0.00 0.00 -1.00 0.00 0.00 29.16 28.54 1xgq h TRP 28 CO -0.26 0.92 -0.00 0.28 -3.56 0.00 0.00 178.44 175.82 1xgq h VAL 29 N 0.37 1.26 -0.77 1.49 2.07 -0.71 -0.58 116.25 119.38 1xgq h VAL 29 Ca 0.01 -0.77 0.04 0.00 0.82 0.00 0.00 66.70 66.80 1xgq h VAL 29 Cb 1.08 1.78 -0.05 0.00 -1.52 0.00 0.00 31.29 32.58 1xgq h VAL 29 CO 0.10 0.20 0.48 0.00 0.02 0.00 0.00 177.57 178.37 1xgq h ALA 31 N 1.35 0.23 -0.74 0.00 0.00 -0.99 -2.29 119.26 116.81 1xgq h ALA 31 Ca 0.32 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.18 1xgq h ALA 31 Cb 0.08 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.76 1xgq h ALA 31 CO -0.14 -0.23 0.48 0.00 0.00 0.00 0.00 179.25 179.36 1xgq h ALA 32 N 0.98 0.95 -0.06 0.00 0.00 -0.60 -1.15 119.26 119.38 1xgq h ALA 32 Ca 0.06 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.97 1xgq h ALA 32 Cb 0.08 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 17.54 1xgq h ALA 32 CO -0.01 0.32 -0.24 -0.22 0.00 0.00 0.00 179.25 179.10 1xgq h LYS 33 N 0.97 -0.34 0.00 0.00 1.63 -0.73 -1.34 116.57 116.76 1xgq h LYS 33 Ca 0.28 0.02 -0.09 0.00 -0.85 0.00 0.00 60.65 60.01 1xgq h LYS 33 Cb -0.07 0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 1xgq h LYS 33 CO -0.08 -0.22 -0.45 0.74 -3.45 0.00 0.00 179.45 175.99 1xgq h PHE 34 N -0.35 0.00 0.19 1.91 0.04 -1.25 -0.25 116.94 117.23 1xgq h PHE 34 Ca 0.08 0.00 -0.31 0.00 2.80 0.00 0.00 57.97 60.54 1xgq h PHE 34 Cb 0.46 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.63 1xgq h PHE 34 CO -0.31 0.45 -1.36 0.93 -0.60 0.00 0.00 178.31 177.42 1xgq h GLU 35 N 0.00 0.42 0.00 1.51 4.39 -0.98 -3.43 114.58 116.49 1xgq h GLU 35 Ca -0.00 -0.71 0.00 0.00 0.34 0.00 0.00 59.36 58.99 1xgq h GLU 35 Cb 1.07 0.26 0.00 0.00 -0.10 0.00 0.00 28.75 29.99 1xgq h GLU 35 CO 0.06 1.34 0.00 -1.13 -1.16 0.00 0.00 179.01 178.12 1xgq n SER 36 N -3.64 0.00 -3.66 1.42 3.41 -0.53 -4.77 113.62 105.85 1xgq n SER 36 Ca -0.13 -1.00 -0.25 0.00 -0.26 0.00 0.00 58.87 57.23 1xgq n SER 36 Cb 1.06 0.00 0.07 0.00 -0.26 0.00 0.00 64.21 65.08 1xgq n SER 36 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 1xgq n ASN 37 N 0.00 -5.68 -1.86 4.04 3.02 -0.11 -2.01 115.26 112.66 1xgq n ASN 37 Ca 0.00 -0.60 -0.18 0.00 -0.03 0.00 0.00 54.58 53.77 1xgq n ASN 37 Cb 0.40 -4.78 -0.03 0.00 -0.61 0.00 0.00 39.78 34.76 1xgq n ASN 37 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1xgq n PHE 38 N -4.88 -0.60 -3.49 3.10 3.72 -1.21 -4.76 117.46 109.35 1xgq n PHE 38 Ca -0.01 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 56.98 1xgq n PHE 38 Cb 0.56 -3.44 -0.10 0.00 -0.94 0.00 0.00 39.48 35.56 1xgq n PHE 38 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 1xgq s ASN 39 N -2.37 6.09 0.49 4.37 2.47 -0.85 -0.79 114.94 124.34 1xgq s ASN 39 Ca 0.00 -0.56 0.25 0.00 0.42 0.00 0.00 52.86 52.97 1xgq s ASN 39 Cb 0.00 -2.15 1.26 0.00 -1.45 0.00 0.00 41.25 38.91 1xgq s ASN 39 CO 0.00 -0.32 1.99 0.71 -3.72 0.00 0.00 177.10 175.76 1xgq h THR 40 N 5.54 0.64 -0.21 -5.21 1.35 -1.33 -2.84 112.91 110.84 1xgq h THR 40 Ca -0.30 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 64.83 1xgq h THR 40 Cb 1.14 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 1xgq h THR 40 CO 0.67 0.16 0.00 0.00 -0.25 0.00 0.00 175.52 176.11 1xgq n GLN 41 N -3.64 1.96 -1.87 4.72 6.02 -1.26 -3.93 117.38 119.38 1xgq n GLN 41 Ca -0.01 -1.43 -0.42 0.00 -0.01 0.00 0.00 57.00 55.13 1xgq n GLN 41 Cb 0.29 -1.43 -0.02 0.00 1.02 0.00 0.00 30.24 30.10 1xgq n GLN 41 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1xgq s ALA 42 N -1.73 3.73 0.11 -1.58 0.00 -1.08 -4.81 121.76 116.40 1xgq s ALA 42 Ca 0.34 1.46 0.03 0.00 0.00 0.00 0.00 51.96 53.79 1xgq s ALA 42 Cb 0.19 -3.62 -0.04 0.00 0.00 0.00 0.00 23.12 19.65 1xgq s ALA 42 CO 0.28 -0.87 -0.08 0.95 0.00 0.00 0.00 175.76 176.04 1xgq s THR 43 N 0.25 0.85 -0.21 0.00 -4.23 -1.26 -1.49 115.64 109.55 1xgq s THR 43 Ca 0.64 -1.98 -0.08 0.00 -1.18 0.00 0.00 61.69 59.09 1xgq s THR 43 Cb -0.45 -1.74 0.09 0.00 1.34 0.00 0.00 72.50 71.74 1xgq s THR 43 CO 0.43 -0.83 0.45 0.21 -0.54 0.00 0.00 174.62 174.34 1xgq s ASN 44 N -3.09 -0.40 0.10 3.99 2.47 -0.58 -4.94 114.94 112.51 1xgq s ASN 44 Ca 0.14 1.06 -0.21 0.00 0.42 0.00 0.00 52.86 54.26 1xgq s ASN 44 Cb 0.04 1.40 -0.07 0.00 -1.45 0.00 0.00 41.25 41.18 1xgq s ASN 44 CO -0.03 -0.23 0.64 -0.60 -3.72 0.00 0.00 177.10 173.16 1xgq s ARG 45 N 2.51 4.32 0.46 0.43 3.52 -1.26 -0.21 118.95 128.71 1xgq s ARG 45 Ca -0.03 0.88 0.07 0.00 -0.13 0.00 0.00 55.73 56.52 1xgq s ARG 45 Cb -0.11 -3.24 -0.01 0.00 -1.56 0.00 0.00 34.95 30.02 1xgq s ARG 45 CO -0.14 0.62 0.34 -0.80 -0.81 0.00 0.00 175.30 174.51 1xgq s ASN 46 N -1.13 4.77 0.49 -2.12 0.01 -0.45 -4.98 114.94 111.54 1xgq s ASN 46 Ca 0.31 -0.98 0.15 0.00 -0.71 0.00 0.00 52.86 51.63 1xgq s ASN 46 Cb -0.21 -0.24 1.17 0.00 0.41 0.00 0.00 41.25 42.39 1xgq s ASN 46 CO 0.21 -0.77 2.11 0.74 -1.51 0.00 0.00 177.10 177.88 1xgq h THR 47 N 1.03 1.04 -3.82 1.60 2.02 -1.98 -3.42 112.91 109.37 1xgq h THR 47 Ca -0.40 -0.16 -0.19 0.00 0.77 0.00 0.00 66.41 66.43 1xgq h THR 47 Cb 1.27 1.04 0.04 0.00 -1.74 0.00 0.00 68.15 68.76 1xgq h THR 47 CO 0.60 0.05 0.08 -0.90 0.37 0.00 0.00 175.52 175.72 1xgq n ASP 48 N -4.49 0.42 -0.87 4.18 3.85 -1.26 -4.92 116.55 113.46 1xgq n ASP 48 Ca -0.02 -1.40 -0.00 0.00 -0.71 0.00 0.00 54.79 52.66 1xgq n ASP 48 Cb 0.12 -0.31 0.00 0.00 -1.35 0.00 0.00 41.12 39.59 1xgq n ASP 48 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1xgq n GLY 49 N 1.73 1.88 3.76 6.12 0.00 -1.26 -4.84 105.19 112.58 1xgq n GLY 49 Ca 0.07 -0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.79 1xgq n GLY 49 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xgq s SER 50 N 0.73 5.41 0.03 1.61 1.04 -1.26 -4.60 113.70 116.66 1xgq s SER 50 Ca 0.00 -0.08 0.03 0.00 0.48 0.00 0.00 55.95 56.38 1xgq s SER 50 Cb 0.00 -1.41 -0.02 0.00 0.10 0.00 0.00 66.02 64.70 1xgq s SER 50 CO 0.00 0.15 -0.09 -0.89 0.98 0.00 0.00 173.24 173.39 1xgq s THR 51 N -1.46 0.67 -0.16 2.02 2.01 -1.26 -1.34 115.64 116.12 1xgq s THR 51 Ca 0.29 -0.90 -0.15 0.00 0.31 0.00 0.00 61.69 61.23 1xgq s THR 51 Cb -0.12 -0.67 -0.04 0.00 0.01 0.00 0.00 72.50 71.68 1xgq s THR 51 CO 0.21 -0.19 0.37 -1.81 -0.69 0.00 0.00 174.62 172.51 1xgq s ASP 52 N -1.20 6.51 0.10 3.53 1.01 0.70 -1.13 116.67 126.19 1xgq s ASP 52 Ca -0.05 0.60 0.09 0.00 0.71 0.00 0.00 52.55 53.91 1xgq s ASP 52 Cb -0.08 -2.22 -0.04 0.00 1.01 0.00 0.00 42.92 41.59 1xgq s ASP 52 CO 0.01 0.04 -0.23 -0.31 0.21 0.00 0.00 175.17 174.89 1xgq s TYR 53 N 0.67 2.43 0.00 4.23 1.51 -0.75 -1.52 117.35 123.92 1xgq s TYR 53 Ca 0.20 -0.33 0.00 0.00 -1.01 0.00 0.00 57.07 55.93 1xgq s TYR 53 Cb -0.14 -1.34 0.00 0.00 -0.11 0.00 0.00 41.96 40.37 1xgq s TYR 53 CO 0.06 0.31 0.00 0.41 -1.11 0.00 0.00 175.55 175.22 1xgq n GLY 54 N 1.10 -2.25 0.30 0.71 0.00 -0.56 -0.79 105.19 103.71 1xgq n GLY 54 Ca -0.17 -1.52 0.17 0.00 0.00 0.00 0.00 46.02 44.50 1xgq n GLY 54 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1xgq h ILE 55 N 0.00 0.34 -0.08 -0.61 2.10 -1.69 -1.97 117.51 115.60 1xgq h ILE 55 Ca 0.00 -0.20 -0.02 0.00 1.08 0.00 0.00 64.86 65.72 1xgq h ILE 55 Cb 0.00 1.15 -0.01 0.00 -1.09 0.00 0.00 36.82 36.87 1xgq h ILE 55 CO 0.00 0.04 -0.09 0.18 -1.08 0.00 0.00 178.15 177.19 1xgq n LEU 56 N -3.49 2.86 -3.56 2.19 4.77 -1.26 -4.16 117.00 114.35 1xgq n LEU 56 Ca -0.02 -3.27 -0.21 0.00 -0.03 0.00 0.00 56.01 52.47 1xgq n LEU 56 Cb 0.14 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 40.75 1xgq n LEU 56 CO 0.26 0.87 -0.16 0.00 -1.33 0.00 0.00 177.39 177.02 1xgq n GLN 57 N -1.18 -0.90 -2.85 3.23 1.13 -0.74 -4.87 117.38 111.20 1xgq n GLN 57 Ca 0.19 0.34 -0.42 0.00 -1.94 0.00 0.00 57.00 55.16 1xgq n GLN 57 Cb 0.73 -1.48 -0.04 0.00 0.11 0.00 0.00 30.24 29.56 1xgq n GLN 57 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1xgq s ILE 58 N -3.03 4.71 0.19 5.09 1.01 0.03 -4.55 121.20 124.64 1xgq s ILE 58 Ca 0.09 1.35 -0.31 0.00 0.00 0.00 0.00 60.65 61.78 1xgq s ILE 58 Cb -0.05 -4.23 -0.10 0.00 0.01 0.00 0.00 42.46 38.09 1xgq s ILE 58 CO 0.63 -0.32 1.56 0.21 0.00 0.00 0.00 174.94 177.02 1xgq s ASN 59 N 1.63 6.57 0.00 3.58 3.84 -1.26 -1.80 114.94 127.50 1xgq s ASN 59 Ca 0.36 2.66 0.29 0.00 0.21 0.00 0.00 52.86 56.39 1xgq s ASN 59 Cb -0.14 -2.60 1.57 0.00 -0.55 0.00 0.00 41.25 39.53 1xgq s ASN 59 CO 0.13 -0.82 2.05 -1.54 -2.79 0.00 0.00 177.10 174.14 1xgq n SER 60 N 3.59 0.00 -0.10 -4.21 3.41 -0.28 -1.98 113.62 114.05 1xgq n SER 60 Ca 0.12 -0.37 -0.12 0.00 -0.26 0.00 0.00 58.87 58.25 1xgq n SER 60 Cb 0.39 -0.20 -0.04 0.00 -0.26 0.00 0.00 64.21 64.10 1xgq n SER 60 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1xgq h ARG 61 N 0.00 0.59 0.00 4.33 1.12 -1.84 -3.39 114.38 115.19 1xgq h ARG 61 Ca 0.00 -0.23 -0.12 0.00 -1.11 0.00 0.00 59.98 58.52 1xgq h ARG 61 Cb 0.19 -0.03 -0.02 0.00 -0.01 0.00 0.00 29.97 30.10 1xgq h ARG 61 CO 0.00 0.79 -1.46 0.91 -3.11 0.00 0.00 179.97 177.09 1xgq n TRP 62 N -4.47 0.00 -0.03 2.20 8.01 -1.23 -3.47 117.44 118.45 1xgq n TRP 62 Ca -0.03 0.00 -0.09 0.00 -1.31 0.00 0.00 57.50 56.07 1xgq n TRP 62 Cb 0.33 -0.33 -0.14 0.00 -2.01 0.00 0.00 31.31 29.16 1xgq n TRP 62 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.69 177.59 1xgq n TRP 63 N -2.38 0.90 -4.14 -5.99 7.02 -0.84 0.26 117.44 112.27 1xgq n TRP 63 Ca -0.12 0.32 -0.09 0.00 -1.02 0.00 0.00 57.50 56.58 1xgq n TRP 63 Cb 0.70 -1.16 -0.10 0.00 -2.42 0.00 0.00 31.31 28.33 1xgq n TRP 63 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1xgq s ASN 65 N -3.04 5.06 0.00 0.00 2.47 -0.35 -4.48 114.94 114.60 1xgq s ASN 65 Ca 0.22 -0.36 0.22 0.00 0.42 0.00 0.00 52.86 53.36 1xgq s ASN 65 Cb 0.07 -1.90 0.52 0.00 -1.45 0.00 0.00 41.25 38.50 1xgq s ASN 65 CO 0.00 -0.08 1.45 -0.90 -3.72 0.00 0.00 177.10 173.86 1xgq n ASP 66 N 4.90 3.67 -0.16 -4.21 5.68 -1.26 -1.06 116.55 124.11 1xgq n ASP 66 Ca -0.16 -1.99 -0.02 0.00 -0.50 0.00 0.00 54.79 52.12 1xgq n ASP 66 Cb 0.50 -0.36 -0.01 0.00 -1.14 0.00 0.00 41.12 40.12 1xgq n ASP 66 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1xgq n GLY 67 N 1.53 0.41 2.60 6.12 0.00 -1.26 -4.78 105.19 109.81 1xgq n GLY 67 Ca 0.21 -0.09 -0.04 0.00 0.00 0.00 0.00 46.02 46.11 1xgq n GLY 67 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 1xgq n ARG 68 N -1.09 1.13 -3.92 1.61 1.85 -1.26 -5.11 116.66 109.87 1xgq n ARG 68 Ca -0.02 -1.32 -0.27 0.00 -1.00 0.00 0.00 57.85 55.23 1xgq n ARG 68 Cb 0.30 0.19 -0.17 0.00 -1.05 0.00 0.00 32.46 31.73 1xgq n ARG 68 CO 0.00 0.00 0.00 0.99 -0.01 0.00 0.00 177.63 178.61 1xgq s THR 69 N 0.14 1.11 -0.08 8.89 2.01 -1.26 -4.96 115.64 121.49 1xgq s THR 69 Ca 0.13 -0.40 -0.29 0.00 0.31 0.00 0.00 61.69 61.44 1xgq s THR 69 Cb 0.37 -1.14 -0.06 0.00 0.01 0.00 0.00 72.50 71.68 1xgq s THR 69 CO -0.10 0.33 1.83 -2.16 -0.69 0.00 0.00 174.62 173.84 1xgq s PRO 70 N 1.67 3.94 0.00 4.92 0.04 -1.26 -2.72 135.00 141.59 1xgq s PRO 70 Ca 0.04 2.20 0.00 0.00 0.04 0.00 0.00 61.00 63.29 1xgq s PRO 70 Cb -0.13 -4.11 0.00 0.00 0.04 0.00 0.00 34.50 30.30 1xgq s PRO 70 CO -0.08 -1.15 0.00 0.41 0.04 0.00 0.00 177.00 176.21 1xgq n GLY 71 N 4.61 1.04 3.64 0.56 0.00 -1.26 -4.94 105.19 108.84 1xgq n GLY 71 Ca 0.20 -0.49 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 1xgq n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xgq s SER 72 N -2.58 6.36 0.04 1.61 0.01 -1.10 -4.77 113.70 113.27 1xgq s SER 72 Ca 0.00 1.97 0.21 0.00 1.31 0.00 0.00 55.95 59.44 1xgq s SER 72 Cb 0.00 -2.53 -0.20 0.00 0.21 0.00 0.00 66.02 63.50 1xgq s SER 72 CO 0.00 -1.22 0.67 0.54 0.41 0.00 0.00 173.24 173.64 1xgq n ARG 73 N 7.62 0.64 -4.10 12.44 1.74 -1.23 -4.99 116.66 128.79 1xgq n ARG 73 Ca 0.20 -0.04 -0.35 0.00 -0.77 0.00 0.00 57.85 56.89 1xgq n ARG 73 Cb 0.44 -1.65 -0.03 0.00 -1.02 0.00 0.00 32.46 30.20 1xgq n ARG 73 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1xgq n ASN 74 N -2.50 -1.71 -0.31 0.55 5.15 -1.11 -4.83 115.26 110.50 1xgq n ASN 74 Ca -0.05 -1.21 0.10 0.00 -0.60 0.00 0.00 54.58 52.82 1xgq n ASN 74 Cb 0.63 -2.10 0.27 0.00 -0.53 0.00 0.00 39.78 38.05 1xgq n ASN 74 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1xgq h LEU 75 N -2.10 0.52 -0.02 1.20 4.07 -0.20 0.15 115.31 118.94 1xgq h LEU 75 Ca -0.67 0.11 0.00 0.00 0.08 0.00 0.00 57.88 57.40 1xgq h LEU 75 Cb 1.39 0.03 0.00 0.00 1.08 0.00 0.00 40.66 43.17 1xgq h LEU 75 CO 0.60 0.17 -0.00 0.00 -1.08 0.00 0.00 178.44 178.13 1xgq n ASN 77 N -1.06 -1.41 -3.80 0.00 5.03 0.52 -4.97 115.26 109.57 1xgq n ASN 77 Ca 0.21 -0.92 -0.12 0.00 0.87 0.00 0.00 54.58 54.62 1xgq n ASN 77 Cb 0.15 -3.59 -0.09 0.00 -1.02 0.00 0.00 39.78 35.23 1xgq n ASN 77 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.26 174.92 1xgq s ILE 78 N -3.76 0.07 0.12 2.41 1.10 -1.26 -5.06 121.20 114.82 1xgq s ILE 78 Ca 0.07 -0.62 -0.30 0.00 -0.51 0.00 0.00 60.65 59.29 1xgq s ILE 78 Cb -0.02 -0.67 -0.06 0.00 0.15 0.00 0.00 42.46 41.85 1xgq s ILE 78 CO 0.85 -0.34 1.13 -2.84 -2.11 0.00 0.00 174.94 171.63 1xgq s PRO 79 N -1.72 4.53 0.56 3.50 0.02 -1.26 -1.21 135.00 139.42 1xgq s PRO 79 Ca -0.11 1.72 0.29 0.00 0.02 0.00 0.00 61.00 62.91 1xgq s PRO 79 Cb -0.04 -3.32 1.47 0.00 0.02 0.00 0.00 34.50 32.63 1xgq s PRO 79 CO 0.01 -0.07 1.92 0.00 -0.33 0.00 0.00 177.00 178.54 1xgq h SER 81 N 0.00 0.00 0.53 0.00 4.64 -1.90 -1.65 113.55 115.17 1xgq h SER 81 Ca 0.27 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.56 1xgq h SER 81 Cb 1.25 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 1xgq h SER 81 CO -0.00 0.13 -0.12 0.00 -0.87 0.00 0.00 176.83 175.96 1xgq h ALA 82 N 1.87 1.17 0.00 5.18 0.00 -1.19 -2.05 119.26 124.24 1xgq h ALA 82 Ca -0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1xgq h ALA 82 Cb 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1xgq h ALA 82 CO 0.02 0.15 0.00 1.28 0.00 0.00 0.00 179.25 180.70 1xgq n LEU 83 N -3.48 0.00 -0.66 0.00 4.77 -0.62 -3.17 117.00 113.84 1xgq n LEU 83 Ca -0.01 0.20 0.09 0.00 -0.03 0.00 0.00 56.01 56.25 1xgq n LEU 83 Cb 0.27 -0.20 0.06 0.00 -2.33 0.00 0.00 43.42 41.23 1xgq n LEU 83 CO 0.30 -0.00 0.49 0.18 -1.33 0.00 0.00 177.39 177.02 1xgq n LEU 84 N -1.20 2.35 -4.67 2.23 4.77 -0.77 -3.35 117.00 116.36 1xgq n LEU 84 Ca 0.17 -0.96 -0.33 0.00 -0.03 0.00 0.00 56.01 54.86 1xgq n LEU 84 Cb 0.20 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.43 1xgq n LEU 84 CO 0.21 0.42 0.68 -0.24 -1.33 0.00 0.00 177.39 177.13 1xgq n SER 85 N 0.82 0.58 0.23 -1.43 2.88 -1.19 -4.25 113.62 111.27 1xgq n SER 85 Ca 0.10 0.51 0.13 0.00 -1.33 0.00 0.00 58.87 58.28 1xgq n SER 85 Cb 0.43 -1.48 0.32 0.00 -0.75 0.00 0.00 64.21 62.73 1xgq n SER 85 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1xgq h SER 86 N -1.31 0.00 -3.57 -3.46 0.87 -1.92 -3.41 113.55 100.74 1xgq h SER 86 Ca -0.45 0.00 -0.62 0.00 -1.23 0.00 0.00 61.79 59.49 1xgq h SER 86 Cb 1.29 0.00 -0.13 0.00 -0.44 0.00 0.00 62.40 63.12 1xgq h SER 86 CO 0.43 0.05 0.02 -0.62 -0.53 0.00 0.00 176.83 176.18 1xgq s ASP 87 N -6.09 6.44 0.00 6.23 2.15 -1.26 -4.87 116.67 119.27 1xgq s ASP 87 Ca 0.05 0.44 0.23 0.00 0.43 0.00 0.00 52.55 53.71 1xgq s ASP 87 Cb 0.07 -2.29 1.39 0.00 -0.30 0.00 0.00 42.92 41.78 1xgq s ASP 87 CO 0.64 -0.35 1.85 2.30 -0.17 0.00 0.00 175.17 179.44 1xgq n ILE 88 N 5.24 0.00 -0.23 4.11 -5.35 -1.26 -4.38 119.36 117.49 1xgq n ILE 88 Ca -0.03 0.00 -0.06 0.00 -0.27 0.00 0.00 62.75 62.38 1xgq n ILE 88 Cb 0.49 -0.42 -0.01 0.00 -1.74 0.00 0.00 39.64 37.96 1xgq n ILE 88 CO 0.00 0.00 0.00 0.74 -1.76 0.00 0.00 176.55 175.53 1xgq h THR 89 N 0.00 0.11 -0.56 7.28 2.02 -1.93 -1.16 112.91 118.68 1xgq h THR 89 Ca 0.00 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 1xgq h THR 89 Cb 0.00 0.11 -0.03 0.00 -1.74 0.00 0.00 68.15 66.50 1xgq h THR 89 CO 0.00 0.00 0.27 0.00 0.37 0.00 0.00 175.52 176.16 1xgq h ALA 90 N 0.87 0.72 -0.75 6.16 0.00 -1.83 -1.86 119.26 122.57 1xgq h ALA 90 Ca 0.22 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1xgq h ALA 90 Cb 0.56 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 1xgq h ALA 90 CO -0.72 0.28 0.36 0.77 0.00 0.00 0.00 179.25 179.93 1xgq h SER 91 N 0.76 0.98 0.06 0.00 0.02 -1.64 -1.52 113.55 112.20 1xgq h SER 91 Ca 0.19 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 1xgq h SER 91 Cb 0.11 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 62.40 1xgq h SER 91 CO -0.03 0.84 -0.03 0.58 -1.14 0.00 0.00 176.83 177.06 1xgq h VAL 92 N 1.05 1.10 -0.58 2.27 2.07 -1.07 -0.47 116.25 120.61 1xgq h VAL 92 Ca 0.26 -0.52 0.09 0.00 0.82 0.00 0.00 66.70 67.35 1xgq h VAL 92 Cb 0.12 1.45 -0.07 0.00 -1.52 0.00 0.00 31.29 31.27 1xgq h VAL 92 CO -0.03 0.13 0.20 0.78 0.02 0.00 0.00 177.57 178.67 1xgq h ASN 93 N -0.31 0.17 -0.58 0.57 -0.26 -1.23 0.16 115.58 114.11 1xgq h ASN 93 Ca -0.01 0.08 -0.10 0.00 -0.56 0.00 0.00 56.30 55.71 1xgq h ASN 93 Cb 0.27 0.07 -0.02 0.00 -1.06 0.00 0.00 38.32 37.59 1xgq h ASN 93 CO 0.01 0.11 -0.04 0.00 -1.06 0.00 0.00 177.43 176.45 1xgq h ALA 95 N 0.98 1.17 -0.73 0.00 0.00 0.01 0.19 119.26 120.88 1xgq h ALA 95 Ca 0.16 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1xgq h ALA 95 Cb 0.61 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 1xgq h ALA 95 CO 0.04 0.61 0.26 0.87 0.00 0.00 0.00 179.25 181.03 1xgq h LYS 96 N 1.07 1.11 -0.24 0.00 1.57 -0.39 0.84 116.57 120.52 1xgq h LYS 96 Ca 0.25 -0.21 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 1xgq h LYS 96 Cb 0.16 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1xgq h LYS 96 CO -0.03 0.92 -0.14 -0.22 -0.57 0.00 0.00 179.45 179.41 1xgq h LYS 97 N 1.07 0.52 -0.04 3.15 3.64 -0.83 -1.91 116.57 122.17 1xgq h LYS 97 Ca 0.24 -0.24 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1xgq h LYS 97 Cb 0.25 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 1xgq h LYS 97 CO -0.01 0.80 -0.07 0.82 -2.27 0.00 0.00 179.45 178.71 1xgq h ILE 98 N 0.23 0.80 0.00 2.00 2.04 -0.69 -1.97 117.51 119.92 1xgq h ILE 98 Ca 0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.91 1xgq h ILE 98 Cb 0.65 0.80 0.00 0.00 -0.74 0.00 0.00 36.82 37.54 1xgq h ILE 98 CO 0.04 0.00 0.00 0.55 0.00 0.00 0.00 178.15 178.74 1xgq n VAL 99 N -5.20 1.15 0.80 1.67 3.14 0.26 -2.07 118.33 118.09 1xgq n VAL 99 Ca -0.05 0.32 0.13 0.00 -2.96 0.00 0.00 64.34 61.78 1xgq n VAL 99 Cb 0.12 -1.17 0.52 0.00 -1.06 0.00 0.00 33.84 32.25 1xgq n VAL 99 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 1xgq n SER 100 N -1.70 0.26 -4.76 6.55 7.64 -0.72 -4.07 113.62 116.82 1xgq n SER 100 Ca 0.02 0.53 -0.29 0.00 1.01 0.00 0.00 58.87 60.14 1xgq n SER 100 Cb 0.14 -0.60 0.14 0.00 -1.01 0.00 0.00 64.21 62.89 1xgq n SER 100 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1xgq s ASP 101 N -3.48 3.39 0.33 6.43 2.15 -0.88 -4.94 116.67 119.67 1xgq s ASP 101 Ca 0.12 1.09 0.01 0.00 0.43 0.00 0.00 52.55 54.20 1xgq s ASP 101 Cb 0.15 -1.72 0.58 0.00 -0.30 0.00 0.00 42.92 41.64 1xgq s ASP 101 CO 0.51 -2.64 1.99 1.23 -0.17 0.00 0.00 175.17 176.08 1xgq h GLY 102 N -1.56 0.95 1.30 2.66 0.00 -1.88 -2.63 103.07 101.90 1xgq h GLY 102 Ca -0.51 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 46.45 1xgq h GLY 102 CO 0.60 0.36 0.00 1.16 0.00 0.00 0.00 176.54 178.66 1xgq n ASN 103 N -4.42 0.00 0.00 0.19 0.23 -1.26 -4.96 115.26 105.04 1xgq n ASN 103 Ca 0.07 -0.24 0.00 0.00 -0.53 0.00 0.00 54.58 53.88 1xgq n ASN 103 Cb 0.05 -0.15 0.00 0.00 -2.08 0.00 0.00 39.78 37.60 1xgq n ASN 103 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1xgq n GLY 104 N 0.12 1.85 0.00 4.83 0.00 -1.00 -1.06 105.19 109.93 1xgq n GLY 104 Ca 0.10 -0.33 0.06 0.00 0.00 0.00 0.00 46.02 45.85 1xgq n GLY 104 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1xgq n MET 105 N 13.38 0.41 0.00 1.61 2.81 -1.26 -2.91 117.12 131.16 1xgq n MET 105 Ca 0.00 0.00 0.07 0.00 -1.81 0.00 0.00 57.70 55.96 1xgq n MET 105 Cb 0.00 -1.44 0.37 0.00 -0.71 0.00 0.00 33.22 31.43 1xgq n MET 105 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1xgq n ASN 106 N -0.94 0.00 0.22 7.83 3.02 -0.23 -1.97 115.26 123.19 1xgq n ASN 106 Ca 0.09 0.16 0.07 0.00 -0.03 0.00 0.00 54.58 54.86 1xgq n ASN 106 Cb 0.04 -0.33 0.51 0.00 -0.61 0.00 0.00 39.78 39.39 1xgq n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xgq h ALA 107 N 2.68 1.38 -1.93 5.41 0.00 -1.70 -3.37 119.26 121.73 1xgq h ALA 107 Ca 0.00 -0.22 -0.70 0.00 0.00 0.00 0.00 54.91 53.99 1xgq h ALA 107 Cb 0.17 -0.04 -0.20 0.00 0.00 0.00 0.00 17.79 17.72 1xgq h ALA 107 CO 0.00 0.31 0.10 -1.58 0.00 0.00 0.00 179.25 178.08 1xgq s TRP 108 N -4.24 3.01 0.22 0.00 0.51 -0.83 -4.92 118.94 112.69 1xgq s TRP 108 Ca -0.03 -0.90 -0.08 0.00 -2.12 0.00 0.00 56.10 52.97 1xgq s TRP 108 Cb 0.14 -3.93 0.35 0.00 -0.81 0.00 0.00 33.47 29.21 1xgq s TRP 108 CO 0.67 -1.25 1.72 0.28 -0.51 0.00 0.00 176.95 177.86 1xgq h VAL 109 N 5.91 0.67 -0.52 4.03 2.07 -1.85 -0.07 116.25 126.50 1xgq h VAL 109 Ca -0.29 -0.12 0.08 0.00 0.82 0.00 0.00 66.70 67.19 1xgq h VAL 109 Cb 1.09 0.29 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1xgq h VAL 109 CO 1.08 0.07 0.35 0.00 0.02 0.00 0.00 177.57 179.09 1xgq h ALA 110 N 1.49 2.02 -0.26 1.67 0.00 -1.95 -1.41 119.26 120.82 1xgq h ALA 110 Ca 0.35 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 55.14 1xgq h ALA 110 Cb 0.50 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1xgq h ALA 110 CO -0.38 -0.13 -0.23 2.35 0.00 0.00 0.00 179.25 180.86 1xgq h TRP 111 N 0.36 0.73 0.71 0.00 7.01 -1.34 -0.51 115.95 122.91 1xgq h TRP 111 Ca 0.24 -0.21 -0.03 0.00 2.11 0.00 0.00 58.89 61.00 1xgq h TRP 111 Cb 0.46 -0.16 -0.00 0.00 -2.10 0.00 0.00 29.16 27.36 1xgq h TRP 111 CO -0.00 0.92 -0.44 0.00 -2.79 0.00 0.00 178.44 176.12 1xgq h ARG 112 N 0.33 -1.05 -0.80 2.65 3.08 -0.81 0.81 114.38 118.58 1xgq h ARG 112 Ca 0.04 0.07 -0.04 0.00 0.07 0.00 0.00 59.98 60.13 1xgq h ARG 112 Cb 0.78 0.24 -0.04 0.00 0.08 0.00 0.00 29.97 31.03 1xgq h ARG 112 CO 0.06 -0.70 0.35 -0.91 -1.07 0.00 0.00 179.97 177.70 1xgq h ASN 113 N -1.09 1.08 -0.00 7.04 -0.26 -1.40 -3.21 115.58 117.74 1xgq h ASN 113 Ca -0.09 -0.15 0.00 0.00 -0.56 0.00 0.00 56.30 55.50 1xgq h ASN 113 Cb 0.88 -0.28 0.00 0.00 -1.06 0.00 0.00 38.32 37.86 1xgq h ASN 113 CO 0.09 0.94 -0.47 0.54 -1.06 0.00 0.00 177.43 177.47 1xgq n ARG 114 N -4.29 2.77 0.00 0.81 5.12 -0.20 -4.85 116.66 116.03 1xgq n ARG 114 Ca 0.08 -0.20 0.00 0.00 -1.93 0.00 0.00 57.85 55.79 1xgq n ARG 114 Cb 0.17 -1.08 0.00 0.00 -1.16 0.00 0.00 32.46 30.38 1xgq n ARG 114 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1xgq n LYS 116 N -1.97 1.55 -2.82 0.00 4.81 0.22 -2.78 118.16 117.18 1xgq n LYS 116 Ca 0.00 0.56 -0.11 0.00 -0.87 0.00 0.00 58.31 57.89 1xgq n LYS 116 Cb 0.23 -2.26 0.05 0.00 0.02 0.00 0.00 35.03 33.07 1xgq n LYS 116 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xgq n GLY 117 N 3.06 -0.59 3.57 3.14 0.00 -1.26 -4.92 105.19 108.19 1xgq n GLY 117 Ca 0.19 0.33 -0.13 0.00 0.00 0.00 0.00 46.02 46.41 1xgq n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xgq s THR 118 N -3.29 0.00 -1.49 2.61 -4.23 -1.12 -5.03 115.64 103.09 1xgq s THR 118 Ca 0.31 -1.45 -0.09 0.00 -1.18 0.00 0.00 61.69 59.28 1xgq s THR 118 Cb -0.04 -2.65 0.01 0.00 1.34 0.00 0.00 72.50 71.15 1xgq s THR 118 CO 0.55 0.00 2.61 -0.67 -0.54 0.00 0.00 174.62 176.57 1xgq n ASP 119 N -1.32 7.53 0.04 3.99 2.03 -1.26 -4.70 116.55 122.85 1xgq n ASP 119 Ca -0.01 -2.81 0.22 0.00 0.52 0.00 0.00 54.79 52.71 1xgq n ASP 119 Cb 0.61 -1.52 0.73 0.00 -0.72 0.00 0.00 41.12 40.23 1xgq n ASP 119 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1xgq h VAL 120 N 3.11 0.45 0.00 5.18 -1.51 -1.93 0.13 116.25 121.68 1xgq h VAL 120 Ca 0.75 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 66.22 1xgq h VAL 120 Cb 0.37 0.64 0.00 0.00 -2.13 0.00 0.00 31.29 30.17 1xgq h VAL 120 CO 1.71 0.00 0.00 -0.61 -1.23 0.00 0.00 177.57 177.44 1xgq h GLN 121 N 0.00 0.00 0.00 5.19 4.15 -1.90 0.02 115.11 122.57 1xgq h GLN 121 Ca 0.24 0.00 -0.02 0.00 0.77 0.00 0.00 58.65 59.64 1xgq h GLN 121 Cb 1.17 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.86 1xgq h GLN 121 CO -0.00 0.00 -0.09 0.00 -1.93 0.00 0.00 178.83 176.81 1xgq h ALA 122 N 2.00 1.76 0.00 3.38 0.00 -1.10 -0.81 119.26 124.48 1xgq h ALA 122 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1xgq h ALA 122 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1xgq h ALA 122 CO 0.00 0.11 0.00 0.91 0.00 0.00 0.00 179.25 180.27 1xgq n TRP 123 N -4.29 0.66 0.00 0.00 7.02 -0.01 -3.01 117.44 117.81 1xgq n TRP 123 Ca -0.03 0.27 0.00 0.00 -1.02 0.00 0.00 57.50 56.72 1xgq n TRP 123 Cb 0.17 -0.93 0.00 0.00 -2.42 0.00 0.00 31.31 28.12 1xgq n TRP 123 CO 0.00 0.00 0.00 0.44 -2.02 0.00 0.00 177.69 176.11 1xgq n ILE 124 N -2.11 0.00 -2.08 -0.99 -5.35 -0.76 -4.88 119.36 103.19 1xgq n ILE 124 Ca 0.02 -0.38 -0.42 0.00 -0.27 0.00 0.00 62.75 61.70 1xgq n ILE 124 Cb 0.20 0.93 -0.03 0.00 -1.74 0.00 0.00 39.64 38.99 1xgq n ILE 124 CO 0.00 0.00 0.00 -0.60 -1.76 0.00 0.00 176.55 174.19 1xgq s ARG 125 N -0.99 4.24 0.00 6.28 3.52 -0.38 -1.87 118.95 129.75 1xgq s ARG 125 Ca 0.00 2.14 0.00 0.00 -0.13 0.00 0.00 55.73 57.74 1xgq s ARG 125 Cb 0.00 -3.60 0.00 0.00 -1.56 0.00 0.00 34.95 29.79 1xgq s ARG 125 CO 0.00 -0.66 0.00 0.41 -0.81 0.00 0.00 175.30 174.24 1xgq n GLY 126 N 3.82 2.43 3.76 8.12 0.00 -1.26 -4.96 105.19 117.11 1xgq n GLY 126 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 1xgq n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xgq s ARG 128 N -1.50 3.80 0.00 0.00 3.00 -1.26 -5.11 118.95 117.88 1xgq s ARG 128 Ca 0.44 -1.95 0.00 0.00 0.00 0.00 0.00 55.73 54.21 1xgq s ARG 128 Cb -0.23 -5.11 0.00 0.00 0.00 0.00 0.00 34.95 29.61 1xgq s ARG 128 CO 0.28 -1.90 0.07 1.47 0.00 0.00 0.00 175.30 175.22