#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gqa s ASP 2 N 0.00 5.77 0.27 0.00 1.47 -1.26 -4.86 116.67 118.05 1gqa s ASP 2 Ca 0.00 1.18 -0.01 0.00 1.18 0.00 0.00 52.55 54.90 1gqa s ASP 2 Cb 0.00 -2.11 0.58 0.00 -0.34 0.00 0.00 42.92 41.05 1gqa s ASP 2 CO 0.00 -1.12 1.69 0.00 0.68 0.00 0.00 175.17 176.42 1gqa h ALA 3 N -0.45 1.16 -0.69 2.11 0.00 -1.98 -1.16 119.26 118.25 1gqa h ALA 3 Ca -0.45 0.17 0.06 0.00 0.00 0.00 0.00 54.91 54.69 1gqa h ALA 3 Cb 1.23 0.20 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 1gqa h ALA 3 CO 0.63 -0.33 0.46 0.93 0.00 0.00 0.00 179.25 180.93 1gqa h GLU 4 N 0.33 0.72 0.07 0.00 5.08 -1.97 0.16 114.58 118.97 1gqa h GLU 4 Ca 0.48 -0.04 -0.26 0.00 -1.00 0.00 0.00 59.36 58.54 1gqa h GLU 4 Cb 0.86 -0.16 0.01 0.00 0.50 0.00 0.00 28.75 29.96 1gqa h GLU 4 CO -0.52 0.47 -1.11 0.45 -1.00 0.00 0.00 179.01 177.30 1gqa h HIS 5 N 0.74 0.65 -0.80 4.33 3.86 -1.59 -1.84 115.15 120.50 1gqa h HIS 5 Ca 0.29 -0.40 -0.03 0.00 -1.16 0.00 0.00 60.37 59.06 1gqa h HIS 5 Cb 0.22 -0.05 -0.04 0.00 1.06 0.00 0.00 27.41 28.60 1gqa h HIS 5 CO -0.00 1.26 0.36 0.28 0.86 0.00 0.00 177.93 180.70 1gqa h VAL 6 N 0.18 1.25 -0.01 2.45 2.07 -1.02 -1.54 116.25 119.64 1gqa h VAL 6 Ca -0.12 -0.74 -0.00 0.00 0.82 0.00 0.00 66.70 66.65 1gqa h VAL 6 Cb 1.79 0.25 -0.00 0.00 -1.52 0.00 0.00 31.29 31.80 1gqa h VAL 6 CO 0.19 0.31 0.00 0.58 0.02 0.00 0.00 177.57 178.68 1gqa h VAL 7 N 1.15 1.25 -0.83 2.57 2.07 -0.64 -1.47 116.25 120.35 1gqa h VAL 7 Ca 0.27 -0.73 0.06 0.00 0.82 0.00 0.00 66.70 67.12 1gqa h VAL 7 Cb 0.15 1.72 -0.05 0.00 -1.52 0.00 0.00 31.29 31.59 1gqa h VAL 7 CO -0.03 0.19 0.54 -0.33 0.02 0.00 0.00 177.57 177.97 1gqa h GLU 8 N -0.29 0.91 -0.24 1.57 5.08 -1.25 -1.33 114.58 119.04 1gqa h GLU 8 Ca 0.00 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 58.13 1gqa h GLU 8 Cb 0.31 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 1gqa h GLU 8 CO 0.00 0.60 -0.57 0.00 -1.00 0.00 0.00 179.01 178.04 1gqa h ALA 9 N 1.54 0.54 -0.16 3.43 0.00 -1.07 -0.34 119.26 123.20 1gqa h ALA 9 Ca 0.35 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1gqa h ALA 9 Cb 0.20 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 1gqa h ALA 9 CO -0.12 0.69 0.07 -0.09 0.00 0.00 0.00 179.25 179.79 1gqa h ARG 10 N 0.56 0.24 -0.64 0.00 2.43 -0.84 0.13 114.38 116.27 1gqa h ARG 10 Ca 0.01 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.11 1gqa h ARG 10 Cb 1.16 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.64 1gqa h ARG 10 CO 0.12 0.31 0.29 0.87 -1.51 0.00 0.00 179.97 180.05 1gqa h LYS 11 N 0.12 0.93 -0.50 0.20 1.57 -1.31 -2.23 116.57 115.35 1gqa h LYS 11 Ca 0.06 -0.15 0.08 0.00 -1.87 0.00 0.00 60.65 58.76 1gqa h LYS 11 Cb 0.16 -0.16 -0.06 0.00 0.08 0.00 0.00 32.23 32.24 1gqa h LYS 11 CO -0.01 0.76 0.14 0.78 -0.57 0.00 0.00 179.45 180.56 1gqa h GLY 12 N 0.89 0.65 0.42 3.86 0.00 -0.57 0.72 103.07 109.02 1gqa h GLY 12 Ca 0.22 -0.06 0.08 0.00 0.00 0.00 0.00 47.33 47.57 1gqa h GLY 12 CO -0.02 -0.04 0.16 -1.82 0.00 0.00 0.00 176.54 174.82 1gqa h TYR 13 N 0.29 0.28 0.00 5.60 3.20 -0.33 -1.91 116.97 124.10 1gqa h TYR 13 Ca 0.25 0.03 -0.11 0.00 3.14 0.00 0.00 58.73 62.04 1gqa h TYR 13 Cb 0.31 -0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 1gqa h TYR 13 CO -0.20 0.06 -0.51 0.74 -1.64 0.00 0.00 178.16 176.61 1gqa h PHE 14 N 0.32 0.00 -0.24 -3.82 0.04 -0.80 -1.66 116.94 110.78 1gqa h PHE 14 Ca 0.26 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.97 1gqa h PHE 14 Cb 0.33 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.46 1gqa h PHE 14 CO -0.19 0.51 -0.15 0.77 -0.60 0.00 0.00 178.31 178.65 1gqa h SER 15 N 0.00 0.39 -0.01 2.17 0.02 -0.32 0.12 113.55 115.92 1gqa h SER 15 Ca -0.01 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.83 1gqa h SER 15 Cb 0.98 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.42 1gqa h SER 15 CO 0.07 0.56 -0.08 -0.07 -1.14 0.00 0.00 176.83 176.17 1gqa h LEU 16 N 0.37 0.08 -0.51 5.07 3.38 -1.05 -1.01 115.31 121.64 1gqa h LEU 16 Ca 0.07 -0.72 0.10 0.00 0.09 0.00 0.00 57.88 57.43 1gqa h LEU 16 Cb 0.48 -0.02 -0.10 0.00 0.09 0.00 0.00 40.66 41.11 1gqa h LEU 16 CO 0.03 0.78 -0.11 0.58 0.09 0.00 0.00 178.44 179.81 1gqa h VAL 17 N -0.62 0.50 -0.71 1.22 2.07 -1.16 -1.79 116.25 115.77 1gqa h VAL 17 Ca -0.01 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 1gqa h VAL 17 Cb 0.79 0.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.01 1gqa h VAL 17 CO 0.02 0.00 0.36 0.00 0.02 0.00 0.00 177.57 177.96 1gqa h ALA 18 N 1.51 0.91 -0.95 1.67 0.00 -0.78 -0.88 119.26 120.73 1gqa h ALA 18 Ca 0.25 -0.14 0.06 0.00 0.00 0.00 0.00 54.91 55.08 1gqa h ALA 18 Cb 0.38 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 1gqa h ALA 18 CO -0.52 0.46 0.62 1.25 0.00 0.00 0.00 179.25 181.06 1gqa h LEU 19 N 0.99 0.98 0.15 0.00 5.85 -0.34 0.22 115.31 123.16 1gqa h LEU 19 Ca 0.25 0.00 -0.31 0.00 0.84 0.00 0.00 57.88 58.66 1gqa h LEU 19 Cb 0.09 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 40.92 1gqa h LEU 19 CO -0.03 0.63 -1.54 -0.33 -0.34 0.00 0.00 178.44 176.83 1gqa h GLU 20 N 1.11 0.31 0.00 1.25 4.39 -1.19 -3.27 114.58 117.18 1gqa h GLU 20 Ca 0.40 -0.53 -0.09 0.00 0.34 0.00 0.00 59.36 59.49 1gqa h GLU 20 Cb 0.15 0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 1gqa h GLU 20 CO -0.15 1.20 -0.42 0.35 -1.16 0.00 0.00 179.01 178.82 1gqa h PHE 21 N 0.08 0.00 -0.11 4.33 3.57 -0.99 -3.35 116.94 120.48 1gqa h PHE 21 Ca -0.25 0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.29 1gqa h PHE 21 Cb 2.04 0.00 -0.06 0.00 2.79 0.00 0.00 35.95 40.72 1gqa h PHE 21 CO 0.08 0.42 -0.35 0.78 -2.23 0.00 0.00 178.31 177.01 1gqa h GLY 22 N 1.31 -0.53 1.59 2.40 0.00 -1.00 -0.93 103.07 105.91 1gqa h GLY 22 Ca -0.00 0.43 -0.03 0.00 0.00 0.00 0.00 47.33 47.72 1gqa h GLY 22 CO 0.06 -0.23 0.09 -2.55 0.00 0.00 0.00 176.54 173.91 1gqa h PRO 23 N -0.44 0.53 -0.80 4.80 0.11 -1.75 -1.41 132.00 133.04 1gqa h PRO 23 Ca 0.09 -0.08 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 1gqa h PRO 23 Cb 0.57 -0.09 -0.04 0.00 0.11 0.00 0.00 31.00 31.55 1gqa h PRO 23 CO -0.35 0.49 0.38 -0.07 -0.21 0.00 0.00 178.00 178.23 1gqa h LEU 24 N 0.52 1.05 -0.28 2.35 3.38 -1.47 -1.14 115.31 119.71 1gqa h LEU 24 Ca 0.12 -0.12 -0.20 0.00 0.09 0.00 0.00 57.88 57.76 1gqa h LEU 24 Cb 0.20 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.68 1gqa h LEU 24 CO -0.00 0.88 -0.75 0.00 0.09 0.00 0.00 178.44 178.66 1gqa h ALA 25 N 1.27 0.45 -0.48 1.53 0.00 -0.71 -2.50 119.26 118.82 1gqa h ALA 25 Ca 0.28 -0.60 -0.12 0.00 0.00 0.00 0.00 54.91 54.46 1gqa h ALA 25 Cb 0.12 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1gqa h ALA 25 CO -0.03 0.72 -0.17 0.00 0.00 0.00 0.00 179.25 179.77 1gqa h ALA 26 N 0.74 0.78 -0.48 0.00 0.00 -1.15 -1.02 119.26 118.14 1gqa h ALA 26 Ca -0.04 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.43 1gqa h ALA 26 Cb 1.35 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.95 1gqa h ALA 26 CO 0.14 0.66 0.00 0.52 0.00 0.00 0.00 179.25 180.58 1gqa h MET 27 N 0.83 0.79 0.00 0.00 2.07 -1.17 0.18 114.93 117.63 1gqa h MET 27 Ca 0.12 -0.21 -0.10 0.00 -2.07 0.00 0.00 59.70 57.44 1gqa h MET 27 Cb 0.72 -0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 30.35 1gqa h MET 27 CO 0.06 0.79 -0.49 0.00 1.07 0.00 0.00 176.91 178.34 1gqa h ALA 28 N 1.26 1.02 0.00 6.32 0.00 -1.13 -2.54 119.26 124.19 1gqa h ALA 28 Ca 0.14 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1gqa h ALA 28 Cb 0.44 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1gqa h ALA 28 CO 0.02 0.61 -0.33 1.63 0.00 0.00 0.00 179.25 181.17 1gqa n LYS 29 N -3.70 0.14 -1.42 0.00 5.02 -0.41 -4.85 118.16 112.94 1gqa n LYS 29 Ca -0.01 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.35 1gqa n LYS 29 Cb 0.55 -1.61 0.00 0.00 -0.02 0.00 0.00 35.03 33.95 1gqa n LYS 29 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1gqa n GLY 30 N 1.42 0.46 0.04 0.72 0.00 -0.77 -4.92 105.19 102.14 1gqa n GLY 30 Ca 0.05 -0.92 0.11 0.00 0.00 0.00 0.00 46.02 45.27 1gqa n GLY 30 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1gqa n GLU 31 N -1.91 0.56 -4.10 1.61 1.02 0.57 -4.84 120.64 113.56 1gqa n GLU 31 Ca 0.00 -0.08 -0.14 0.00 -0.02 0.00 0.00 57.16 56.92 1gqa n GLU 31 Cb 0.25 -1.61 -0.13 0.00 -0.02 0.00 0.00 31.44 29.92 1gqa n GLU 31 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1gqa s MET 32 N -3.41 0.45 0.52 3.49 0.23 -1.08 -4.97 119.30 114.51 1gqa s MET 32 Ca -0.04 -0.43 -0.22 0.00 -1.03 0.00 0.00 55.69 53.97 1gqa s MET 32 Cb 0.13 -0.33 -0.06 0.00 -1.53 0.00 0.00 34.83 33.04 1gqa s MET 32 CO 0.86 0.08 1.27 -2.30 -2.03 0.00 0.00 175.02 172.90 1gqa n PRO 33 N 2.30 1.64 -1.98 3.16 -0.02 -1.26 -4.28 135.00 134.56 1gqa n PRO 33 Ca -0.17 0.60 -0.42 0.00 -2.02 0.00 0.00 63.50 61.48 1gqa n PRO 33 Cb 0.57 -2.45 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 1gqa n PRO 33 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1gqa s TYR 34 N -1.29 1.93 -0.25 6.00 5.04 -1.26 -4.88 117.35 122.63 1gqa s TYR 34 Ca 0.69 0.14 0.00 0.00 -2.44 0.00 0.00 57.07 55.46 1gqa s TYR 34 Cb -0.45 -3.95 0.07 0.00 0.35 0.00 0.00 41.96 37.99 1gqa s TYR 34 CO 0.52 -4.00 -0.02 0.34 -1.34 0.00 0.00 175.55 171.05 1gqa s ASP 35 N 3.41 3.83 0.39 4.32 3.68 -1.26 -5.01 116.67 126.03 1gqa s ASP 35 Ca 0.75 -1.27 0.07 0.00 2.13 0.00 0.00 52.55 54.23 1gqa s ASP 35 Cb -0.34 -1.11 0.81 0.00 -1.45 0.00 0.00 42.92 40.83 1gqa s ASP 35 CO 0.31 -0.28 2.00 0.00 0.13 0.00 0.00 175.17 177.33 1gqa h ALA 36 N 7.98 1.74 -0.01 3.66 0.00 -1.94 0.74 119.26 131.43 1gqa h ALA 36 Ca -0.16 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1gqa h ALA 36 Cb 1.07 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1gqa h ALA 36 CO 0.42 0.19 -0.01 0.00 0.00 0.00 0.00 179.25 179.85 1gqa h ALA 37 N 1.66 0.02 -0.80 0.00 0.00 -1.95 -0.96 119.26 117.23 1gqa h ALA 37 Ca 0.24 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1gqa h ALA 37 Cb 0.16 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 1gqa h ALA 37 CO -0.07 -0.24 0.39 0.00 0.00 0.00 0.00 179.25 179.33 1gqa h ALA 38 N 0.54 1.03 -0.75 0.00 0.00 -1.94 -0.52 119.26 117.63 1gqa h ALA 38 Ca 0.00 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1gqa h ALA 38 Cb 0.48 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1gqa h ALA 38 CO 0.00 0.60 0.35 0.00 0.00 0.00 0.00 179.25 180.19 1gqa h ALA 39 N 1.20 0.97 -0.70 0.00 0.00 -0.75 -1.73 119.26 118.26 1gqa h ALA 39 Ca 0.28 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.97 1gqa h ALA 39 Cb 0.11 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 1gqa h ALA 39 CO -0.04 0.55 0.22 -0.22 0.00 0.00 0.00 179.25 179.77 1gqa h LYS 40 N 1.07 1.08 -0.05 0.00 3.64 -0.73 -1.08 116.57 120.50 1gqa h LYS 40 Ca 0.26 -0.23 -0.00 0.00 -1.27 0.00 0.00 60.65 59.40 1gqa h LYS 40 Cb 0.14 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1gqa h LYS 40 CO -0.03 0.93 0.02 0.00 -2.27 0.00 0.00 179.45 178.10 1gqa h ALA 41 N 1.10 0.06 -0.34 5.00 0.00 -0.80 -1.16 119.26 123.12 1gqa h ALA 41 Ca 0.22 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1gqa h ALA 41 Cb 0.30 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1gqa h ALA 41 CO -0.01 -0.38 0.08 0.45 0.00 0.00 0.00 179.25 179.39 1gqa h HIS 42 N -0.04 0.57 -0.31 0.00 3.86 -1.22 -2.31 115.15 115.71 1gqa h HIS 42 Ca 0.02 -0.07 0.06 0.00 -1.16 0.00 0.00 60.37 59.22 1gqa h HIS 42 Cb 0.11 -0.16 -0.06 0.00 1.06 0.00 0.00 27.41 28.36 1gqa h HIS 42 CO -0.04 0.59 -0.06 0.00 0.86 0.00 0.00 177.93 179.28 1gqa h ALA 43 N 0.92 0.22 -0.76 2.45 0.00 -1.10 -1.57 119.26 119.43 1gqa h ALA 43 Ca 0.11 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1gqa h ALA 43 Cb 0.30 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1gqa h ALA 43 CO 0.00 -0.45 0.43 1.03 0.00 0.00 0.00 179.25 180.26 1gqa h SER 44 N 0.02 0.92 -0.50 0.00 0.87 -1.11 -0.88 113.55 112.87 1gqa h SER 44 Ca 0.15 -0.06 -0.04 0.00 -1.23 0.00 0.00 61.79 60.60 1gqa h SER 44 Cb 0.22 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 61.92 1gqa h SER 44 CO -0.30 0.73 0.16 0.44 -0.53 0.00 0.00 176.83 177.33 1gqa h ASP 45 N 1.05 0.77 -0.67 6.23 3.45 -1.01 -1.38 116.42 124.86 1gqa h ASP 45 Ca 0.27 -0.12 -0.05 0.00 0.43 0.00 0.00 57.03 57.55 1gqa h ASP 45 Cb -0.01 -0.20 -0.03 0.00 -0.56 0.00 0.00 39.33 38.54 1gqa h ASP 45 CO -0.05 0.73 0.21 -0.07 -1.57 0.00 0.00 179.24 178.50 1gqa h LEU 46 N 0.81 0.97 -0.42 1.55 3.38 -0.39 -1.27 115.31 119.93 1gqa h LEU 46 Ca 0.18 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 57.99 1gqa h LEU 46 Cb 0.25 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1gqa h LEU 46 CO -0.01 0.91 0.19 0.58 0.09 0.00 0.00 178.44 180.21 1gqa h VAL 47 N 0.97 0.93 -0.82 1.22 2.07 -0.67 -1.55 116.25 118.39 1gqa h VAL 47 Ca 0.22 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.61 1gqa h VAL 47 Cb 0.29 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 1gqa h VAL 47 CO -0.01 0.07 0.54 0.74 0.02 0.00 0.00 177.57 178.93 1gqa h THR 48 N 0.38 1.21 -0.65 2.57 2.02 -0.75 -2.44 112.91 115.26 1gqa h THR 48 Ca 0.19 -0.39 -0.08 0.00 0.77 0.00 0.00 66.41 66.90 1gqa h THR 48 Cb 0.13 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 66.52 1gqa h THR 48 CO -0.16 0.21 0.09 -0.07 0.37 0.00 0.00 175.52 175.96 1gqa h LEU 49 N 1.12 1.03 -1.15 2.58 3.38 -0.54 -1.95 115.31 119.77 1gqa h LEU 49 Ca 0.30 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1gqa h LEU 49 Cb -0.12 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.35 1gqa h LEU 49 CO -0.06 1.03 0.00 0.71 0.09 0.00 0.00 178.44 180.20 1gqa h THR 50 N 1.00 0.00 0.00 0.22 1.35 -0.85 -2.34 112.91 112.29 1gqa h THR 50 Ca 0.20 -0.20 -0.18 0.00 -0.55 0.00 0.00 66.41 65.68 1gqa h THR 50 Cb 0.45 0.92 -0.03 0.00 -1.73 0.00 0.00 68.15 67.76 1gqa h THR 50 CO 0.01 0.00 -0.99 0.11 -0.25 0.00 0.00 175.52 174.41 1gqa h LYS 51 N 0.00 0.00 -6.50 4.72 1.79 -0.99 -3.45 116.57 112.14 1gqa h LYS 51 Ca 0.00 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.94 1gqa h LYS 51 Cb 0.27 0.00 0.03 0.00 -1.58 0.00 0.00 32.23 30.95 1gqa h LYS 51 CO 0.00 0.66 1.06 -0.47 -1.08 0.00 0.00 179.45 179.62 1gqa s TYR 52 N -2.81 2.29 -0.18 -1.35 5.04 -0.88 -4.90 117.35 114.55 1gqa s TYR 52 Ca 0.01 0.12 -0.29 0.00 -2.44 0.00 0.00 57.07 54.47 1gqa s TYR 52 Cb 0.09 -4.10 -0.01 0.00 0.35 0.00 0.00 41.96 38.29 1gqa s TYR 52 CO 0.79 -4.48 1.18 0.34 -1.34 0.00 0.00 175.55 172.04 1gqa s ASP 53 N 2.51 7.01 -0.04 4.32 2.15 -1.26 -4.91 116.67 126.46 1gqa s ASP 53 Ca 0.78 1.59 0.12 0.00 0.43 0.00 0.00 52.55 55.46 1gqa s ASP 53 Cb -0.44 -2.54 0.40 0.00 -0.30 0.00 0.00 42.92 40.04 1gqa s ASP 53 CO 0.35 -0.71 1.28 -2.65 -0.17 0.00 0.00 175.17 173.27 1gqa n PRO 54 N 6.37 2.32 -0.21 4.34 -0.02 -1.26 -4.58 135.00 141.96 1gqa n PRO 54 Ca 0.13 -1.59 -0.01 0.00 -2.02 0.00 0.00 63.50 60.01 1gqa n PRO 54 Cb 0.45 -1.50 0.06 0.00 -0.02 0.00 0.00 33.50 32.50 1gqa n PRO 54 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 1gqa h SER 55 N 2.40 -0.60 -0.01 2.55 0.02 -1.98 -0.46 113.55 115.47 1gqa h SER 55 Ca 0.00 0.19 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1gqa h SER 55 Cb 0.78 0.39 -0.00 0.00 0.14 0.00 0.00 62.40 63.71 1gqa h SER 55 CO 0.08 -0.21 0.03 0.44 -1.14 0.00 0.00 176.83 176.03 1gqa h ASP 56 N -0.01 0.00 1.28 3.07 3.45 -2.03 -1.36 116.42 120.83 1gqa h ASP 56 Ca 0.30 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.76 1gqa h ASP 56 Cb 0.46 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.23 1gqa h ASP 56 CO -0.64 0.00 0.00 -0.07 -1.57 0.00 0.00 179.24 176.96 1gqa h LEU 57 N 0.00 0.00 -4.27 1.55 3.38 -1.41 -3.29 115.31 111.27 1gqa h LEU 57 Ca 0.00 0.00 -0.63 0.00 0.09 0.00 0.00 57.88 57.35 1gqa h LEU 57 Cb 0.06 0.00 -0.37 0.00 0.09 0.00 0.00 40.66 40.44 1gqa h LEU 57 CO -0.00 0.00 -0.11 -1.22 0.09 0.00 0.00 178.44 177.20 1gqa n TYR 58 N -2.86 3.09 -1.76 1.13 4.02 -0.51 -4.82 117.16 115.46 1gqa n TYR 58 Ca 0.02 -2.67 -0.42 0.00 -0.01 0.00 0.00 57.90 54.82 1gqa n TYR 58 Cb 0.37 -0.64 -0.02 0.00 -0.02 0.00 0.00 39.34 39.02 1gqa n TYR 58 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1gqa s ALA 59 N -3.72 3.84 0.51 -0.72 0.00 -1.24 -4.94 121.76 115.50 1gqa s ALA 59 Ca 0.53 1.57 -0.20 0.00 0.00 0.00 0.00 51.96 53.86 1gqa s ALA 59 Cb 0.43 -3.67 -0.10 0.00 0.00 0.00 0.00 23.12 19.78 1gqa s ALA 59 CO -0.13 -0.95 0.61 -2.30 0.00 0.00 0.00 175.76 173.00 1gqa n PRO 60 N 3.13 0.65 -2.00 0.00 -0.02 -1.26 -2.98 135.00 132.53 1gqa n PRO 60 Ca 0.12 0.25 -0.08 0.00 -2.02 0.00 0.00 63.50 61.77 1gqa n PRO 60 Cb 0.36 -1.72 -0.01 0.00 -0.02 0.00 0.00 33.50 32.12 1gqa n PRO 60 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gqa n GLY 61 N 1.68 0.20 0.10 -1.23 0.00 -1.26 -4.92 105.19 99.75 1gqa n GLY 61 Ca 0.11 -0.58 0.06 0.00 0.00 0.00 0.00 46.02 45.62 1gqa n GLY 61 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1gqa n THR 62 N -3.80 1.37 -1.96 2.61 -2.24 -1.16 -4.72 114.28 104.37 1gqa n THR 62 Ca -0.09 -1.60 -0.29 0.00 -2.27 0.00 0.00 64.05 59.80 1gqa n THR 62 Cb 0.52 0.09 0.16 0.00 -2.10 0.00 0.00 70.33 68.99 1gqa n THR 62 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1gqa s SER 63 N -2.07 3.54 0.58 3.42 1.04 -1.26 -4.74 113.70 114.21 1gqa s SER 63 Ca 0.19 0.36 0.38 0.00 0.48 0.00 0.00 55.95 57.35 1gqa s SER 63 Cb 0.17 -0.53 1.82 0.00 0.10 0.00 0.00 66.02 67.57 1gqa s SER 63 CO 0.02 -2.47 2.13 0.00 0.98 0.00 0.00 173.24 173.90 1gqa h ALA 64 N -1.43 1.00 0.00 5.32 0.00 -0.79 0.88 119.26 124.24 1gqa h ALA 64 Ca -0.44 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1gqa h ALA 64 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1gqa h ALA 64 CO 0.45 0.00 0.00 -0.44 0.00 0.00 0.00 179.25 179.26 1gqa h ASP 65 N 0.00 0.00 0.00 0.00 3.32 -1.92 -3.37 116.42 114.46 1gqa h ASP 65 Ca 0.00 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.74 1gqa h ASP 65 Cb 0.27 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.76 1gqa h ASP 65 CO 0.00 0.00 -2.13 0.47 -1.72 0.00 0.00 179.24 175.86 1gqa n ASP 66 N -2.52 2.26 -4.13 6.45 8.00 0.25 -5.04 116.55 121.82 1gqa n ASP 66 Ca 0.03 -0.03 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 1gqa n ASP 66 Cb 0.33 -0.38 -0.11 0.00 -0.02 0.00 0.00 41.12 40.94 1gqa n ASP 66 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 1gqa s VAL 67 N -2.39 0.70 0.48 2.53 -7.23 -0.90 -4.99 120.40 108.61 1gqa s VAL 67 Ca -0.27 -1.48 -0.08 0.00 -1.81 0.00 0.00 61.98 58.34 1gqa s VAL 67 Cb 0.08 -1.13 -0.05 0.00 0.56 0.00 0.00 36.38 35.84 1gqa s VAL 67 CO 0.43 -0.56 0.83 -0.54 -0.31 0.00 0.00 175.10 174.95 1gqa s LYS 68 N -2.55 3.64 0.00 4.82 1.02 -1.26 -4.09 119.74 121.32 1gqa s LYS 68 Ca 0.00 0.41 0.00 0.00 0.02 0.00 0.00 55.97 56.40 1gqa s LYS 68 Cb -0.04 -2.32 0.00 0.00 -0.52 0.00 0.00 37.83 34.95 1gqa s LYS 68 CO -0.01 -0.22 0.00 0.41 -0.92 0.00 0.00 175.35 174.61 1gqa n GLY 69 N -2.02 0.79 3.52 -3.33 0.00 -1.26 -5.05 105.19 97.84 1gqa n GLY 69 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1gqa n GLY 69 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1gqa s THR 70 N -2.97 3.11 -0.33 2.61 -1.32 -1.26 -4.99 115.64 110.49 1gqa s THR 70 Ca 0.00 -1.18 0.04 0.00 -1.21 0.00 0.00 61.69 59.33 1gqa s THR 70 Cb 0.00 -2.38 0.09 0.00 -1.51 0.00 0.00 72.50 68.70 1gqa s THR 70 CO 0.00 0.25 1.03 0.00 -2.21 0.00 0.00 174.62 173.69 1gqa n ALA 71 N 1.20 2.11 -2.63 11.08 0.00 -1.26 -4.51 120.51 126.50 1gqa n ALA 71 Ca -0.15 -0.99 -0.43 0.00 0.00 0.00 0.00 53.44 51.87 1gqa n ALA 71 Cb 0.52 -0.14 -0.02 0.00 0.00 0.00 0.00 19.45 19.81 1gqa n ALA 71 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gqa s ALA 72 N -0.92 3.62 0.49 0.00 0.00 -1.26 -0.06 121.76 123.63 1gqa s ALA 72 Ca 0.07 0.27 -0.21 0.00 0.00 0.00 0.00 51.96 52.10 1gqa s ALA 72 Cb 0.04 -3.53 -0.07 0.00 0.00 0.00 0.00 23.12 19.55 1gqa s ALA 72 CO 0.05 -0.96 1.09 0.15 0.00 0.00 0.00 175.76 176.09 1gqa s LYS 73 N 2.95 3.68 0.57 0.00 1.02 -0.71 -0.17 119.74 127.09 1gqa s LYS 73 Ca 0.47 1.52 0.27 0.00 0.02 0.00 0.00 55.97 58.24 1gqa s LYS 73 Cb -0.17 -2.15 1.56 0.00 -0.52 0.00 0.00 37.83 36.55 1gqa s LYS 73 CO 0.10 -0.56 2.08 0.00 -0.92 0.00 0.00 175.35 176.05 1gqa h ALA 74 N 1.60 1.97 -0.79 5.17 0.00 -1.93 -1.06 119.26 124.21 1gqa h ALA 74 Ca -0.50 -0.01 0.21 0.00 0.00 0.00 0.00 54.91 54.62 1gqa h ALA 74 Cb 1.24 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 1gqa h ALA 74 CO 0.59 -0.35 0.56 0.00 0.00 0.00 0.00 179.25 180.04 1gqa h ALA 75 N 1.77 2.54 -1.00 0.00 0.00 -1.91 0.17 119.26 120.82 1gqa h ALA 75 Ca 0.11 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.14 1gqa h ALA 75 Cb 0.56 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.29 1gqa h ALA 75 CO -0.00 -0.77 0.63 0.82 0.00 0.00 0.00 179.25 179.93 1gqa h ILE 76 N 0.14 0.90 0.00 0.00 2.04 -1.50 -0.23 117.51 118.86 1gqa h ILE 76 Ca 0.39 -0.33 -0.24 0.00 1.00 0.00 0.00 64.86 65.68 1gqa h ILE 76 Cb 1.33 -0.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.21 1gqa h ILE 76 CO -0.06 0.18 -1.40 -0.50 0.00 0.00 0.00 178.15 176.36 1gqa h TRP 77 N 0.97 0.00 -0.07 1.37 6.55 -1.19 -3.24 115.95 120.33 1gqa h TRP 77 Ca 0.51 0.00 -0.19 0.00 0.95 0.00 0.00 58.89 60.16 1gqa h TRP 77 Cb 0.54 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.83 1gqa h TRP 77 CO -0.00 0.90 -0.75 1.96 -1.05 0.00 0.00 178.44 179.50 1gqa h GLN 78 N 0.00 0.41 -2.25 0.49 4.20 -1.01 -3.34 115.11 113.61 1gqa h GLN 78 Ca -0.18 -0.34 -0.59 0.00 0.06 0.00 0.00 58.65 57.60 1gqa h GLN 78 Cb 1.85 0.07 -0.42 0.00 0.30 0.00 0.00 27.48 29.28 1gqa h GLN 78 CO 0.09 0.98 -0.64 -3.47 -0.67 0.00 0.00 178.83 175.12 1gqa n ASP 79 N -3.83 4.14 -0.22 1.46 2.03 -0.13 -4.88 116.55 115.12 1gqa n ASP 79 Ca -0.04 -3.59 0.02 0.00 0.52 0.00 0.00 54.79 51.70 1gqa n ASP 79 Cb 0.72 -0.60 0.27 0.00 -0.72 0.00 0.00 41.12 40.79 1gqa n ASP 79 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1gqa h ALA 80 N 3.36 1.52 -0.16 -1.67 0.00 -1.68 -1.40 119.26 119.23 1gqa h ALA 80 Ca 0.15 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.03 1gqa h ALA 80 Cb 0.57 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1gqa h ALA 80 CO 0.81 0.41 0.08 -0.44 0.00 0.00 0.00 179.25 180.11 1gqa h ASP 81 N 0.96 0.13 -0.21 0.00 3.45 -1.89 -1.91 116.42 116.95 1gqa h ASP 81 Ca 0.30 0.00 -0.12 0.00 0.43 0.00 0.00 57.03 57.65 1gqa h ASP 81 Cb 0.02 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 38.75 1gqa h ASP 81 CO -0.08 0.10 -0.27 1.23 -1.57 0.00 0.00 179.24 178.65 1gqa h GLY 82 N 0.18 0.76 0.94 2.75 0.00 -1.88 -2.09 103.07 103.73 1gqa h GLY 82 Ca 0.06 -0.66 0.01 0.00 0.00 0.00 0.00 47.33 46.74 1gqa h GLY 82 CO -0.04 0.60 0.21 -2.75 0.00 0.00 0.00 176.54 174.57 1gqa h PHE 83 N 0.60 0.39 -0.97 5.60 3.04 -1.14 -1.72 116.94 122.74 1gqa h PHE 83 Ca 0.08 0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.05 1gqa h PHE 83 Cb 0.77 -0.13 -0.05 0.00 2.56 0.00 0.00 35.95 39.10 1gqa h PHE 83 CO 0.04 0.23 0.64 0.37 -2.02 0.00 0.00 178.31 177.57 1gqa h GLN 84 N 0.42 1.28 0.03 1.11 4.15 -1.20 -0.85 115.11 120.06 1gqa h GLN 84 Ca 0.13 -0.08 0.01 0.00 0.77 0.00 0.00 58.65 59.48 1gqa h GLN 84 Cb -0.01 -0.29 -0.01 0.00 0.21 0.00 0.00 27.48 27.38 1gqa h GLN 84 CO -0.06 0.85 -0.06 0.00 -1.93 0.00 0.00 178.83 177.63 1gqa h ALA 85 N 1.35 -0.09 -0.87 3.38 0.00 -0.97 -0.41 119.26 121.65 1gqa h ALA 85 Ca 0.36 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.32 1gqa h ALA 85 Cb -0.15 0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 1gqa h ALA 85 CO -0.08 -0.57 0.54 0.87 0.00 0.00 0.00 179.25 180.02 1gqa h LYS 86 N -0.12 0.95 -0.68 0.00 1.79 -0.61 -2.26 116.57 115.64 1gqa h LYS 86 Ca 0.01 -0.06 0.01 0.00 -2.18 0.00 0.00 60.65 58.43 1gqa h LYS 86 Cb 0.13 -0.21 -0.03 0.00 -1.58 0.00 0.00 32.23 30.54 1gqa h LYS 86 CO -0.04 0.63 0.45 0.78 -1.08 0.00 0.00 179.45 180.19 1gqa h GLY 87 N 0.98 0.96 0.89 3.86 0.00 -0.37 -2.28 103.07 107.11 1gqa h GLY 87 Ca 0.38 -0.36 -0.05 0.00 0.00 0.00 0.00 47.33 47.30 1gqa h GLY 87 CO -0.18 0.36 -0.00 1.98 0.00 0.00 0.00 176.54 178.69 1gqa h MET 88 N 0.92 0.54 -0.68 4.80 -1.53 -0.84 0.06 114.93 118.21 1gqa h MET 88 Ca 0.25 -0.17 0.14 0.00 -3.44 0.00 0.00 59.70 56.48 1gqa h MET 88 Cb -0.10 -0.05 -0.11 0.00 -0.55 0.00 0.00 31.60 30.79 1gqa h MET 88 CO -0.05 0.69 0.10 0.00 0.14 0.00 0.00 176.91 177.78 1gqa h ALA 89 N 0.84 0.79 -0.04 0.39 0.00 -1.20 0.37 119.26 120.41 1gqa h ALA 89 Ca 0.09 0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.17 1gqa h ALA 89 Cb 0.44 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 1gqa h ALA 89 CO 0.02 -0.36 0.02 0.35 0.00 0.00 0.00 179.25 179.27 1gqa h PHE 90 N 0.20 0.05 -0.22 0.00 3.57 -1.19 -1.95 116.94 117.39 1gqa h PHE 90 Ca 0.37 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.91 1gqa h PHE 90 Cb 0.61 -0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.30 1gqa h PHE 90 CO -0.31 0.13 -0.05 0.35 -2.23 0.00 0.00 178.31 176.21 1gqa h PHE 91 N -0.05 -0.10 -0.66 0.41 3.04 0.23 -1.04 116.94 118.77 1gqa h PHE 91 Ca 0.01 0.02 -0.05 0.00 3.98 0.00 0.00 57.97 61.93 1gqa h PHE 91 Cb 0.10 0.08 -0.03 0.00 2.56 0.00 0.00 35.95 38.66 1gqa h PHE 91 CO -0.04 -0.09 0.22 0.93 -2.02 0.00 0.00 178.31 177.31 1gqa h GLU 92 N 0.01 0.99 -0.14 1.11 5.08 -0.30 -1.54 114.58 119.79 1gqa h GLU 92 Ca 0.11 -0.19 -0.11 0.00 -1.00 0.00 0.00 59.36 58.16 1gqa h GLU 92 Cb 0.16 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1gqa h GLU 92 CO -0.22 0.84 -0.41 0.00 -1.00 0.00 0.00 179.01 178.22 1gqa h ALA 93 N 1.27 1.05 -0.39 3.43 0.00 -0.88 -2.30 119.26 121.44 1gqa h ALA 93 Ca 0.22 -0.42 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 1gqa h ALA 93 Cb 0.26 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1gqa h ALA 93 CO -0.01 0.60 -0.35 0.28 0.00 0.00 0.00 179.25 179.77 1gqa h VAL 94 N 0.26 1.27 -0.03 0.00 2.07 -0.71 -2.90 116.25 116.22 1gqa h VAL 94 Ca 0.02 -1.52 -0.01 0.00 0.82 0.00 0.00 66.70 66.01 1gqa h VAL 94 Cb 0.83 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.94 1gqa h VAL 94 CO 0.07 0.51 -0.05 0.00 0.02 0.00 0.00 177.57 178.12 1gqa h ALA 95 N 0.84 1.86 0.00 1.67 0.00 -0.77 -2.23 119.26 120.64 1gqa h ALA 95 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1gqa h ALA 95 Cb 0.93 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1gqa h ALA 95 CO 0.09 0.11 -0.22 0.00 0.00 0.00 0.00 179.25 179.22 1gqa n ALA 96 N -2.52 2.63 0.05 0.00 0.00 -0.92 -3.62 120.51 116.12 1gqa n ALA 96 Ca -0.02 -0.15 -0.08 0.00 0.00 0.00 0.00 53.44 53.19 1gqa n ALA 96 Cb 0.15 -1.35 -0.13 0.00 0.00 0.00 0.00 19.45 18.12 1gqa n ALA 96 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1gqa h LEU 97 N 0.00 0.04 0.27 0.00 5.85 -1.22 -3.34 115.31 116.90 1gqa h LEU 97 Ca 0.00 -0.05 -0.00 0.00 0.84 0.00 0.00 57.88 58.67 1gqa h LEU 97 Cb 0.64 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.63 1gqa h LEU 97 CO 0.00 1.04 -0.47 -0.08 -0.34 0.00 0.00 178.44 178.59 1gqa h GLU 98 N 0.01 -0.76 -0.09 1.25 4.81 -1.62 0.11 114.58 118.29 1gqa h GLU 98 Ca -0.07 0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 1gqa h GLU 98 Cb 1.83 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 31.37 1gqa h GLU 98 CO 0.13 -0.51 -0.17 -1.00 -0.73 0.00 0.00 179.01 176.73 1gqa h PRO 99 N -0.79 0.15 0.00 0.92 0.13 -1.81 -2.44 132.00 128.16 1gqa h PRO 99 Ca -0.03 -0.03 -0.04 0.00 -0.87 0.00 0.00 66.00 65.03 1gqa h PRO 99 Cb 0.73 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.84 1gqa h PRO 99 CO -0.17 0.32 -0.19 0.00 -0.23 0.00 0.00 178.00 177.73 1gqa h ALA 100 N 1.69 0.98 -0.43 -0.56 0.00 -1.55 -3.33 119.26 116.06 1gqa h ALA 100 Ca 0.03 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 1gqa h ALA 100 Cb 0.39 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1gqa h ALA 100 CO 0.03 0.24 0.05 0.00 0.00 0.00 0.00 179.25 179.57 1gqa h ALA 101 N 1.81 1.29 -0.53 0.00 0.00 -0.28 -2.11 119.26 119.44 1gqa h ALA 101 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1gqa h ALA 101 Cb 0.80 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1gqa h ALA 101 CO 0.03 0.49 0.00 0.41 0.00 0.00 0.00 179.25 180.17 1gqa n GLY 102 N -0.85 3.03 0.27 0.00 0.00 -1.25 -4.48 105.19 101.91 1gqa n GLY 102 Ca 0.02 -0.84 0.12 0.00 0.00 0.00 0.00 46.02 45.32 1gqa n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gqa n ALA 103 N 0.68 3.45 0.00 4.61 0.00 -0.79 -4.98 120.51 123.49 1gqa n ALA 103 Ca 0.24 -0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1gqa n ALA 103 Cb 0.88 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 19.34 1gqa n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gqa n GLY 104 N 1.40 3.65 0.25 0.00 0.00 -1.26 -4.86 105.19 104.38 1gqa n GLY 104 Ca 0.10 -1.69 -0.08 0.00 0.00 0.00 0.00 46.02 44.35 1gqa n GLY 104 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1gqa h GLN 105 N 0.00 0.83 -0.21 1.61 -0.00 -1.92 0.09 115.11 115.52 1gqa h GLN 105 Ca 0.00 -0.16 -0.04 0.00 -0.00 0.00 0.00 58.65 58.45 1gqa h GLN 105 Cb 0.00 -0.13 -0.01 0.00 0.00 0.00 0.00 27.48 27.34 1gqa h GLN 105 CO 0.00 0.73 -0.05 0.87 0.00 0.00 0.00 178.83 180.39 1gqa h LYS 106 N 0.75 0.39 -0.03 1.69 1.57 -1.97 0.31 116.57 119.29 1gqa h LYS 106 Ca 0.18 -0.15 0.02 0.00 -1.87 0.00 0.00 60.65 58.84 1gqa h LYS 106 Cb 0.22 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 1gqa h LYS 106 CO -0.01 0.64 -0.12 0.93 -0.57 0.00 0.00 179.45 180.32 1gqa h GLU 107 N 0.12 -0.18 -0.72 3.15 3.07 -1.87 -1.07 114.58 117.09 1gqa h GLU 107 Ca 0.05 0.01 0.05 0.00 -0.50 0.00 0.00 59.36 58.98 1gqa h GLU 107 Cb 0.49 0.04 -0.05 0.00 -0.84 0.00 0.00 28.75 28.39 1gqa h GLU 107 CO 0.02 -0.12 0.42 1.25 -1.40 0.00 0.00 179.01 179.19 1gqa h LEU 108 N -0.18 0.66 -0.59 1.33 7.12 -0.86 -1.65 115.31 121.13 1gqa h LEU 108 Ca 0.05 0.02 -0.06 0.00 0.13 0.00 0.00 57.88 58.02 1gqa h LEU 108 Cb 0.26 -0.12 -0.02 0.00 -0.53 0.00 0.00 40.66 40.24 1gqa h LEU 108 CO -0.14 0.43 0.13 0.00 -0.13 0.00 0.00 178.44 178.73 1gqa h ALA 109 N 1.35 0.79 -0.07 1.25 0.00 -0.41 0.49 119.26 122.64 1gqa h ALA 109 Ca 0.31 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1gqa h ALA 109 Cb 0.14 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 1gqa h ALA 109 CO -0.16 0.51 0.05 0.00 0.00 0.00 0.00 179.25 179.65 1gqa h ALA 110 N 1.03 0.09 -0.55 0.00 0.00 -1.00 0.17 119.26 118.99 1gqa h ALA 110 Ca 0.18 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.99 1gqa h ALA 110 Cb 0.38 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1gqa h ALA 110 CO 0.01 -0.42 -0.05 0.00 0.00 0.00 0.00 179.25 178.79 1gqa h ALA 111 N 1.02 0.75 -0.66 0.00 0.00 -1.05 -2.14 119.26 117.19 1gqa h ALA 111 Ca 0.03 -0.32 -0.05 0.00 0.00 0.00 0.00 54.91 54.56 1gqa h ALA 111 Cb -0.01 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1gqa h ALA 111 CO -0.01 0.62 0.20 0.28 0.00 0.00 0.00 179.25 180.34 1gqa h VAL 112 N 0.89 1.24 -0.43 0.00 2.07 -0.84 -1.36 116.25 117.82 1gqa h VAL 112 Ca 0.15 -0.85 0.08 0.00 0.82 0.00 0.00 66.70 66.90 1gqa h VAL 112 Cb 0.60 0.53 -0.07 0.00 -1.52 0.00 0.00 31.29 30.83 1gqa h VAL 112 CO 0.04 0.33 0.02 1.23 0.02 0.00 0.00 177.57 179.20 1gqa h GLY 113 N 1.05 0.45 0.98 2.17 0.00 -0.53 0.14 103.07 107.34 1gqa h GLY 113 Ca 0.21 0.04 0.00 0.00 0.00 0.00 0.00 47.33 47.59 1gqa h GLY 113 CO -0.01 -0.10 0.07 0.50 0.00 0.00 0.00 176.54 177.00 1gqa h LYS 114 N 0.13 0.13 0.03 4.80 1.79 -0.72 -1.96 116.57 120.77 1gqa h LYS 114 Ca 0.21 -0.01 0.02 0.00 -2.18 0.00 0.00 60.65 58.69 1gqa h LYS 114 Cb 0.30 -0.03 -0.03 0.00 -1.58 0.00 0.00 32.23 30.90 1gqa h LYS 114 CO -0.34 0.09 -0.14 0.28 -1.08 0.00 0.00 179.45 178.26 1gqa h VAL 115 N 0.14 0.66 -0.80 0.50 2.07 -0.82 -2.55 116.25 115.45 1gqa h VAL 115 Ca 0.04 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.75 1gqa h VAL 115 Cb -0.01 0.66 -0.14 0.00 -1.52 0.00 0.00 31.29 30.29 1gqa h VAL 115 CO -0.02 0.00 0.07 1.23 0.02 0.00 0.00 177.57 178.87 1gqa h GLY 116 N -0.25 1.00 0.66 2.17 0.00 -0.39 0.25 103.07 106.51 1gqa h GLY 116 Ca 0.04 0.07 0.07 0.00 0.00 0.00 0.00 47.33 47.50 1gqa h GLY 116 CO -0.11 -0.31 0.45 -1.33 0.00 0.00 0.00 176.54 175.23 1gqa h GLY 117 N 0.14 1.16 1.51 4.60 0.00 -0.96 -1.16 103.07 108.35 1gqa h GLY 117 Ca 0.46 -0.31 -0.09 0.00 0.00 0.00 0.00 47.33 47.38 1gqa h GLY 117 CO -0.67 0.19 -0.18 -0.91 0.00 0.00 0.00 176.54 174.97 1gqa h THR 118 N 0.81 1.25 -0.27 4.70 1.35 -0.23 -0.30 112.91 120.22 1gqa h THR 118 Ca 0.35 -1.18 -0.01 0.00 -0.55 0.00 0.00 66.41 65.02 1gqa h THR 118 Cb 0.22 1.21 -0.01 0.00 -1.73 0.00 0.00 68.15 67.85 1gqa h THR 118 CO -0.19 0.39 0.13 0.00 -0.25 0.00 0.00 175.52 175.59 1gqa h LYS 120 N 0.30 0.14 -0.37 0.00 3.64 -1.18 -1.92 116.57 117.18 1gqa h LYS 120 Ca 0.09 -0.14 0.03 0.00 -1.27 0.00 0.00 60.65 59.37 1gqa h LYS 120 Cb 0.12 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 1gqa h LYS 120 CO -0.01 0.86 0.17 1.03 -2.27 0.00 0.00 179.45 179.23 1gqa h SER 121 N 0.09 0.24 -0.34 4.20 0.87 -1.02 0.19 113.55 117.77 1gqa h SER 121 Ca -0.03 0.02 -0.09 0.00 -1.23 0.00 0.00 61.79 60.47 1gqa h SER 121 Cb 1.39 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 63.32 1gqa h SER 121 CO 0.12 0.18 -0.12 0.00 -0.53 0.00 0.00 176.83 176.47 1gqa h HIS 123 N 0.46 1.08 -0.91 0.00 -0.00 -0.98 -0.43 115.15 114.37 1gqa h HIS 123 Ca 0.08 0.02 0.15 0.00 -0.00 0.00 0.00 60.37 60.61 1gqa h HIS 123 Cb 0.64 -0.36 -0.09 0.00 -0.00 0.00 0.00 27.41 27.60 1gqa h HIS 123 CO 0.06 0.70 0.51 -0.44 -0.00 0.00 0.00 177.93 178.75 1gqa h ASP 124 N 1.15 0.67 0.27 2.45 3.45 -0.53 -2.21 116.42 121.68 1gqa h ASP 124 Ca 0.31 0.08 -0.28 0.00 0.43 0.00 0.00 57.03 57.57 1gqa h ASP 124 Cb -0.10 -0.04 -0.05 0.00 -0.56 0.00 0.00 39.33 38.58 1gqa h ASP 124 CO -0.06 0.29 -1.98 0.47 -1.57 0.00 0.00 179.24 176.40 1gqa n ASP 125 N -4.79 0.41 0.00 6.45 9.92 -1.10 -4.71 116.55 122.73 1gqa n ASP 125 Ca 0.18 0.19 0.00 0.00 -0.53 0.00 0.00 54.79 54.63 1gqa n ASP 125 Cb 0.44 0.63 0.00 0.00 -0.64 0.00 0.00 41.12 41.54 1gqa n ASP 125 CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 1gqa n PHE 126 N -2.82 0.00 -4.84 1.24 3.01 -0.19 -4.89 117.46 108.98 1gqa n PHE 126 Ca -0.21 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 57.92 1gqa n PHE 126 Cb 1.02 0.00 -0.14 0.00 -0.01 0.00 0.00 39.48 40.35 1gqa n PHE 126 CO 0.00 0.00 0.00 0.50 1.01 0.00 0.00 176.76 178.27 1gqa s ARG 127 N -0.18 3.00 0.16 -1.08 3.52 -0.83 -1.73 118.95 121.80 1gqa s ARG 127 Ca 0.00 -0.69 -0.31 0.00 -0.13 0.00 0.00 55.73 54.59 1gqa s ARG 127 Cb 0.00 -2.51 -0.09 0.00 -1.56 0.00 0.00 34.95 30.78 1gqa s ARG 127 CO 0.00 0.39 1.50 0.14 -0.81 0.00 0.00 175.30 176.52 1gqa s VAL 128 N -0.12 2.81 -1.14 7.11 -7.23 0.91 -4.80 120.40 117.94 1gqa s VAL 128 Ca -0.01 0.59 -0.23 0.00 -1.81 0.00 0.00 61.98 60.52 1gqa s VAL 128 Cb -0.14 -3.38 -0.11 0.00 0.56 0.00 0.00 36.38 33.32 1gqa s VAL 128 CO 0.04 0.05 1.94 0.29 -0.31 0.00 0.00 175.10 177.11 1gqa n LYS 129 N 3.73 1.48 0.00 4.82 5.02 -1.26 -5.00 118.16 126.95 1gqa n LYS 129 Ca 0.12 -2.35 0.01 0.00 -2.02 0.00 0.00 58.31 54.07 1gqa n LYS 129 Cb 0.40 -3.67 0.01 0.00 -0.02 0.00 0.00 35.03 31.75 1gqa n LYS 129 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75