#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gqc s LYS 2 N 0.00 4.34 -0.04 -1.46 2.20 -1.26 -4.97 119.74 118.55 1gqc s LYS 2 Ca 0.00 0.65 0.05 0.00 -0.36 0.00 0.00 55.97 56.31 1gqc s LYS 2 Cb 0.00 -3.48 -0.01 0.00 -1.51 0.00 0.00 37.83 32.83 1gqc s LYS 2 CO 0.00 0.00 -0.20 0.00 -0.36 0.00 0.00 175.35 174.79 1gqc s ALA 3 N 1.08 1.77 0.09 3.13 0.00 -1.26 0.29 121.76 126.86 1gqc s ALA 3 Ca 0.31 -0.84 0.04 0.00 0.00 0.00 0.00 51.96 51.47 1gqc s ALA 3 Cb -0.16 -0.55 -0.04 0.00 0.00 0.00 0.00 23.12 22.37 1gqc s ALA 3 CO 0.13 0.34 -0.10 0.14 0.00 0.00 0.00 175.76 176.27 1gqc s VAL 4 N -0.10 0.92 -0.11 0.00 -7.23 -0.68 -0.05 120.40 113.15 1gqc s VAL 4 Ca -0.02 -1.60 -0.01 0.00 -1.81 0.00 0.00 61.98 58.54 1gqc s VAL 4 Cb -0.12 -1.32 -0.03 0.00 0.56 0.00 0.00 36.38 35.48 1gqc s VAL 4 CO 0.02 -0.54 -0.08 -0.63 -0.31 0.00 0.00 175.10 173.56 1gqc s ILE 5 N -2.36 3.57 -0.09 -0.62 1.01 -0.11 -1.31 121.20 121.30 1gqc s ILE 5 Ca 0.04 -0.50 0.02 0.00 0.00 0.00 0.00 60.65 60.22 1gqc s ILE 5 Cb -0.03 -2.50 0.01 0.00 0.01 0.00 0.00 42.46 39.95 1gqc s ILE 5 CO 0.00 0.55 -0.16 -0.69 0.00 0.00 0.00 174.94 174.64 1gqc s VAL 6 N -0.18 1.49 -0.41 2.92 1.01 -0.03 -0.14 120.40 125.07 1gqc s VAL 6 Ca 0.02 -0.67 -0.05 0.00 0.00 0.00 0.00 61.98 61.29 1gqc s VAL 6 Cb -0.13 -1.35 0.10 0.00 0.00 0.00 0.00 36.38 35.00 1gqc s VAL 6 CO 0.03 0.44 0.21 -0.63 0.00 0.00 0.00 175.10 175.15 1gqc s ILE 7 N 0.75 3.57 0.23 2.22 1.01 0.89 -2.34 121.20 127.54 1gqc s ILE 7 Ca -0.12 -1.82 -0.31 0.00 0.00 0.00 0.00 60.65 58.40 1gqc s ILE 7 Cb -0.16 -3.34 -0.11 0.00 0.01 0.00 0.00 42.46 38.86 1gqc s ILE 7 CO 0.02 -0.61 1.60 -2.84 0.00 0.00 0.00 174.94 173.11 1gqc s PRO 8 N 1.24 4.17 -0.41 2.79 0.02 -1.25 0.24 135.00 141.79 1gqc s PRO 8 Ca 0.05 2.49 0.06 0.00 0.02 0.00 0.00 61.00 63.62 1gqc s PRO 8 Cb -0.23 -3.08 0.21 0.00 0.02 0.00 0.00 34.50 31.41 1gqc s PRO 8 CO -0.02 -0.63 0.45 0.00 -0.33 0.00 0.00 177.00 176.47 1gqc n ALA 9 N 3.19 2.32 -1.76 -1.55 0.00 0.24 -3.53 120.51 119.43 1gqc n ALA 9 Ca 0.12 -3.07 -0.38 0.00 0.00 0.00 0.00 53.44 50.10 1gqc n ALA 9 Cb 0.37 -0.83 0.01 0.00 0.00 0.00 0.00 19.45 19.00 1gqc n ALA 9 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 1gqc s ARG 10 N -0.40 3.58 -0.07 0.00 3.52 -1.26 -4.42 118.95 119.89 1gqc s ARG 10 Ca 0.34 2.00 -0.02 0.00 -0.13 0.00 0.00 55.73 57.91 1gqc s ARG 10 Cb 0.10 -2.41 -0.01 0.00 -1.56 0.00 0.00 34.95 31.06 1gqc s ARG 10 CO -0.16 -0.77 0.11 -0.92 -0.81 0.00 0.00 175.30 172.76 1gqc h TYR 11 N 1.95 -0.08 -2.71 5.12 3.20 -1.95 -3.44 116.97 119.06 1gqc h TYR 11 Ca -0.50 -0.00 -0.58 0.00 3.14 0.00 0.00 58.73 60.79 1gqc h TYR 11 Cb 1.27 0.03 0.18 0.00 1.54 0.00 0.00 36.73 39.74 1gqc h TYR 11 CO 0.51 -0.05 -0.64 0.41 -1.64 0.00 0.00 178.16 176.74 1gqc n GLY 12 N 1.56 -2.06 3.32 1.82 0.00 -1.26 -2.13 105.19 106.44 1gqc n GLY 12 Ca -0.01 -0.22 0.03 0.00 0.00 0.00 0.00 46.02 45.81 1gqc n GLY 12 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1gqc s SER 13 N -1.17 -0.58 0.18 1.61 0.15 -1.26 -4.68 113.70 107.95 1gqc s SER 13 Ca 0.64 0.66 -0.23 0.00 0.70 0.00 0.00 55.95 57.71 1gqc s SER 13 Cb -0.44 1.60 0.07 0.00 -1.71 0.00 0.00 66.02 65.55 1gqc s SER 13 CO 0.59 -0.11 1.58 0.28 1.20 0.00 0.00 173.24 176.78 1gqc h SER 14 N 7.63 -1.32 0.04 5.45 0.02 -1.99 -2.18 113.55 121.20 1gqc h SER 14 Ca -0.15 0.23 -0.05 0.00 -0.84 0.00 0.00 61.79 60.97 1gqc h SER 14 Cb 1.13 0.62 0.01 0.00 0.14 0.00 0.00 62.40 64.30 1gqc h SER 14 CO 0.05 -0.32 -0.24 0.08 -1.14 0.00 0.00 176.83 175.26 1gqc h ARG 15 N -0.21 0.08 -2.47 3.45 -0.00 -1.97 -3.41 114.38 109.84 1gqc h ARG 15 Ca 0.20 -0.14 -0.61 0.00 -0.00 0.00 0.00 59.98 59.43 1gqc h ARG 15 Cb 0.56 0.05 -0.42 0.00 -0.00 0.00 0.00 29.97 30.16 1gqc h ARG 15 CO -0.67 1.07 -0.56 1.28 -0.00 0.00 0.00 179.97 181.09 1gqc n LEU 16 N -4.48 3.61 -4.35 0.08 4.77 -1.18 -4.94 117.00 110.51 1gqc n LEU 16 Ca -0.11 -5.38 -0.55 0.00 -0.03 0.00 0.00 56.01 49.94 1gqc n LEU 16 Cb 0.57 -0.71 -0.10 0.00 -2.33 0.00 0.00 43.42 40.86 1gqc n LEU 16 CO 0.38 1.96 1.79 -2.65 -1.33 0.00 0.00 177.39 177.54 1gqc n PRO 17 N 1.18 0.51 -1.89 3.23 -0.02 -0.83 -1.33 135.00 135.86 1gqc n PRO 17 Ca 0.27 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 1gqc n PRO 17 Cb 0.39 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 1gqc n PRO 17 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gqc n GLY 18 N 7.00 0.75 0.37 -1.23 0.00 -0.90 -4.93 105.19 106.25 1gqc n GLY 18 Ca 0.49 -0.49 -0.06 0.00 0.00 0.00 0.00 46.02 45.96 1gqc n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gqc h LYS 19 N 0.00 -0.14 -1.12 1.61 1.57 -1.31 -2.18 116.57 115.00 1gqc h LYS 19 Ca 0.00 0.01 0.31 0.00 -1.87 0.00 0.00 60.65 59.10 1gqc h LYS 19 Cb 0.82 0.03 -0.10 0.00 0.08 0.00 0.00 32.23 33.07 1gqc h LYS 19 CO 0.00 -0.09 0.73 -1.00 -0.57 0.00 0.00 179.45 178.52 1gqc h PRO 20 N -0.14 0.27 0.00 3.15 0.13 -1.85 -0.40 132.00 133.16 1gqc h PRO 20 Ca 0.24 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 1gqc h PRO 20 Cb 0.56 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.63 1gqc h PRO 20 CO -0.77 0.18 -0.55 -0.07 -0.23 0.00 0.00 178.00 176.57 1gqc h LEU 21 N 0.28 0.00 -9.25 1.56 3.38 -1.77 -1.57 115.31 107.94 1gqc h LEU 21 Ca 0.64 -0.17 -0.68 0.00 0.09 0.00 0.00 57.88 57.76 1gqc h LEU 21 Cb 1.83 0.00 0.03 0.00 0.09 0.00 0.00 40.66 42.61 1gqc h LEU 21 CO -0.29 0.08 0.75 0.18 0.09 0.00 0.00 178.44 179.25 1gqc n LEU 22 N -2.19 2.33 -4.77 1.67 4.77 -0.16 -4.44 117.00 114.21 1gqc n LEU 22 Ca 0.03 1.08 -0.39 0.00 -0.03 0.00 0.00 56.01 56.71 1gqc n LEU 22 Cb 0.45 -1.22 -0.03 0.00 -2.33 0.00 0.00 43.42 40.28 1gqc n LEU 22 CO 0.36 -0.59 0.80 -0.62 -1.33 0.00 0.00 177.39 176.01 1gqc s ASP 23 N 2.17 6.85 -0.24 -1.43 -1.08 -1.26 -1.36 116.67 120.32 1gqc s ASP 23 Ca 0.90 2.26 -0.03 0.00 -0.52 0.00 0.00 52.55 55.16 1gqc s ASP 23 Cb -0.93 -2.61 0.10 0.00 -1.46 0.00 0.00 42.92 38.02 1gqc s ASP 23 CO 0.54 -0.44 0.20 -0.63 0.52 0.00 0.00 175.17 175.36 1gqc s ILE 24 N -1.38 -0.26 -1.53 4.11 1.01 -0.28 -4.89 121.20 117.99 1gqc s ILE 24 Ca 0.53 -0.36 -0.13 0.00 0.00 0.00 0.00 60.65 60.69 1gqc s ILE 24 Cb -0.29 -0.81 0.09 0.00 0.01 0.00 0.00 42.46 41.45 1gqc s ILE 24 CO 0.37 -0.40 0.92 1.33 0.00 0.00 0.00 174.94 177.16 1gqc n VAL 25 N 5.30 -2.15 -2.05 2.92 0.24 -1.26 -2.61 118.33 118.71 1gqc n VAL 25 Ca -0.05 -0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 1gqc n VAL 25 Cb 0.47 -2.76 0.00 0.00 -1.47 0.00 0.00 33.84 30.08 1gqc n VAL 25 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1gqc n GLY 26 N -1.66 0.51 3.45 7.63 0.00 -1.26 -5.06 105.19 108.80 1gqc n GLY 26 Ca 0.00 -0.83 -0.12 0.00 0.00 0.00 0.00 46.02 45.07 1gqc n GLY 26 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gqc s LYS 27 N -4.13 0.61 0.30 1.61 1.02 -1.07 -5.14 119.74 112.95 1gqc s LYS 27 Ca 0.00 0.83 -0.29 0.00 0.02 0.00 0.00 55.97 56.53 1gqc s LYS 27 Cb 0.00 0.24 -0.10 0.00 -0.52 0.00 0.00 37.83 37.45 1gqc s LYS 27 CO 0.00 -0.10 1.33 -1.25 -0.92 0.00 0.00 175.35 174.41 1gqc s PRO 28 N 0.65 4.35 0.32 -1.68 0.04 -1.26 -1.12 135.00 136.30 1gqc s PRO 28 Ca -0.03 2.20 0.07 0.00 0.04 0.00 0.00 61.00 63.29 1gqc s PRO 28 Cb -0.05 -3.10 0.91 0.00 0.04 0.00 0.00 34.50 32.31 1gqc s PRO 28 CO -0.04 -0.23 1.59 1.98 0.04 0.00 0.00 177.00 180.33 1gqc h MET 29 N 3.95 0.04 -0.45 4.56 1.85 -0.93 0.61 114.93 124.56 1gqc h MET 29 Ca -0.48 -0.00 0.13 0.00 -0.61 0.00 0.00 59.70 58.74 1gqc h MET 29 Cb 1.22 -0.01 -0.02 0.00 0.43 0.00 0.00 31.60 33.22 1gqc h MET 29 CO 0.69 0.03 0.35 0.97 -0.40 0.00 0.00 176.91 178.55 1gqc h ILE 30 N 0.05 0.67 -0.24 1.77 6.09 -1.53 -1.24 117.51 123.07 1gqc h ILE 30 Ca 0.66 0.00 -0.11 0.00 -1.37 0.00 0.00 64.86 64.04 1gqc h ILE 30 Cb 1.49 0.75 -0.00 0.00 0.47 0.00 0.00 36.82 39.52 1gqc h ILE 30 CO -0.83 0.00 -0.26 -0.61 -3.07 0.00 0.00 178.15 173.37 1gqc h GLN 31 N 0.00 0.60 -0.64 2.19 4.15 -0.05 -1.37 115.11 120.00 1gqc h GLN 31 Ca 0.21 -0.33 0.03 0.00 0.77 0.00 0.00 58.65 59.34 1gqc h GLN 31 Cb 0.91 0.02 -0.04 0.00 0.21 0.00 0.00 27.48 28.57 1gqc h GLN 31 CO -0.00 0.93 0.40 0.45 -1.93 0.00 0.00 178.83 178.67 1gqc h HIS 32 N 0.31 0.74 -0.53 3.99 3.86 -1.21 0.20 115.15 122.51 1gqc h HIS 32 Ca 0.04 0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.17 1gqc h HIS 32 Cb 0.83 -0.24 -0.02 0.00 1.06 0.00 0.00 27.41 29.04 1gqc h HIS 32 CO 0.08 0.42 -0.06 0.28 0.86 0.00 0.00 177.93 179.51 1gqc h VAL 33 N 0.77 1.26 -0.02 2.45 2.07 -1.42 -2.60 116.25 118.76 1gqc h VAL 33 Ca 0.26 -1.17 -0.00 0.00 0.82 0.00 0.00 66.70 66.61 1gqc h VAL 33 Cb 0.03 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1gqc h VAL 33 CO -0.11 0.41 -0.00 0.22 0.02 0.00 0.00 177.57 178.11 1gqc h TYR 34 N 0.86 0.04 -0.52 1.57 5.03 -0.51 -2.18 116.97 121.26 1gqc h TYR 34 Ca 0.15 -0.01 -0.01 0.00 2.58 0.00 0.00 58.73 61.44 1gqc h TYR 34 Cb 0.58 -0.01 -0.03 0.00 1.55 0.00 0.00 36.73 38.82 1gqc h TYR 34 CO 0.04 0.38 0.29 0.93 -1.32 0.00 0.00 178.16 178.48 1gqc h GLU 35 N -0.31 0.70 -0.04 1.82 5.08 -0.63 -1.51 114.58 119.69 1gqc h GLU 35 Ca 0.01 -0.06 -0.15 0.00 -1.00 0.00 0.00 59.36 58.15 1gqc h GLU 35 Cb 0.37 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1gqc h GLU 35 CO 0.00 0.51 -0.64 0.00 -1.00 0.00 0.00 179.01 177.89 1gqc h ARG 36 N 0.71 0.16 -0.16 2.33 3.08 -1.45 -2.60 114.38 116.45 1gqc h ARG 36 Ca 0.19 -0.12 -0.08 0.00 0.07 0.00 0.00 59.98 60.04 1gqc h ARG 36 Cb 0.01 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1gqc h ARG 36 CO -0.03 0.74 -0.25 0.00 -1.07 0.00 0.00 179.97 179.37 1gqc h ALA 37 N 1.23 1.29 0.00 0.04 0.00 -0.63 -2.08 119.26 119.10 1gqc h ALA 37 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1gqc h ALA 37 Cb 1.15 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1gqc h ALA 37 CO 0.09 0.48 0.00 -0.07 0.00 0.00 0.00 179.25 179.75 1gqc h LEU 38 N 0.26 0.00 -0.15 0.00 3.38 -0.94 -2.41 115.31 115.46 1gqc h LEU 38 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1gqc h LEU 38 Cb 0.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.33 1gqc h LEU 38 CO 0.04 0.00 -0.11 0.00 0.09 0.00 0.00 178.44 178.46 1gqc n GLN 39 N -3.07 0.51 -2.58 1.13 6.02 -0.78 -4.82 117.38 113.78 1gqc n GLN 39 Ca 0.00 -0.15 -0.43 0.00 -0.01 0.00 0.00 57.00 56.42 1gqc n GLN 39 Cb 0.28 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.03 1gqc n GLN 39 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1gqc s VAL 40 N -2.59 4.55 0.55 5.09 1.01 -0.91 -4.94 120.40 123.16 1gqc s VAL 40 Ca 0.26 1.87 -0.18 0.00 0.00 0.00 0.00 61.98 63.93 1gqc s VAL 40 Cb 0.20 -4.21 -0.06 0.00 0.00 0.00 0.00 36.38 32.31 1gqc s VAL 40 CO 0.50 -0.15 1.06 0.00 0.00 0.00 0.00 175.10 176.51 1gqc s ALA 41 N 3.17 2.79 0.00 5.51 0.00 -1.26 -3.84 121.76 128.12 1gqc s ALA 41 Ca 0.48 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.95 1gqc s ALA 41 Cb -0.18 -3.25 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1gqc s ALA 41 CO 0.10 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 175.65 1gqc n GLY 42 N -0.60 0.96 3.68 0.00 0.00 -1.26 -4.92 105.19 103.05 1gqc n GLY 42 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1gqc n GLY 42 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gqc s VAL 43 N -3.55 4.82 0.00 1.61 1.01 -1.25 -4.31 120.40 118.73 1gqc s VAL 43 Ca 0.00 -0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.00 1gqc s VAL 43 Cb 0.00 -3.14 -0.24 0.00 0.00 0.00 0.00 36.38 33.00 1gqc s VAL 43 CO 0.00 0.50 0.85 0.00 0.00 0.00 0.00 175.10 176.45 1gqc h ALA 44 N 6.23 0.51 -2.58 5.51 0.00 -0.84 -3.48 119.26 124.61 1gqc h ALA 44 Ca -0.41 -1.23 -0.12 0.00 0.00 0.00 0.00 54.91 53.15 1gqc h ALA 44 Cb 1.18 0.29 -0.20 0.00 0.00 0.00 0.00 17.79 19.05 1gqc h ALA 44 CO 0.67 1.36 -0.32 -1.21 0.00 0.00 0.00 179.25 179.75 1gqc s GLU 45 N -2.63 0.62 -0.15 0.00 2.02 -1.25 -5.06 118.70 112.26 1gqc s GLU 45 Ca -0.06 -0.20 0.00 0.00 0.02 0.00 0.00 54.97 54.73 1gqc s GLU 45 Cb 0.08 0.27 0.03 0.00 0.10 0.00 0.00 34.13 34.61 1gqc s GLU 45 CO 0.83 -0.16 -0.11 0.08 0.02 0.00 0.00 175.26 175.91 1gqc s VAL 46 N -1.27 1.40 0.24 2.63 1.01 -1.26 -0.93 120.40 122.23 1gqc s VAL 46 Ca -0.13 -0.58 0.12 0.00 0.00 0.00 0.00 61.98 61.38 1gqc s VAL 46 Cb -0.06 -1.37 -0.05 0.00 0.00 0.00 0.00 36.38 34.90 1gqc s VAL 46 CO 0.04 0.38 -0.21 0.26 0.00 0.00 0.00 175.10 175.57 1gqc s TRP 47 N 1.55 2.26 -0.15 5.22 0.52 0.81 -4.39 118.94 124.76 1gqc s TRP 47 Ca 0.04 -0.35 0.02 0.00 0.02 0.00 0.00 56.10 55.83 1gqc s TRP 47 Cb -0.13 -1.04 0.01 0.00 -1.15 0.00 0.00 33.47 31.16 1gqc s TRP 47 CO -0.10 0.62 -0.20 0.08 0.02 0.00 0.00 176.95 177.37 1gqc s VAL 48 N -2.21 2.25 -0.31 4.03 1.01 -0.50 -0.07 120.40 124.60 1gqc s VAL 48 Ca 0.26 -0.91 -0.09 0.00 0.00 0.00 0.00 61.98 61.24 1gqc s VAL 48 Cb -0.06 -1.92 -0.00 0.00 0.00 0.00 0.00 36.38 34.40 1gqc s VAL 48 CO 0.13 0.54 0.14 0.00 0.00 0.00 0.00 175.10 175.91 1gqc s ALA 49 N 0.85 3.24 0.28 5.51 0.00 0.14 -1.71 121.76 130.07 1gqc s ALA 49 Ca -0.06 -1.41 0.02 0.00 0.00 0.00 0.00 51.96 50.51 1gqc s ALA 49 Cb -0.15 -2.35 -0.05 0.00 0.00 0.00 0.00 23.12 20.56 1gqc s ALA 49 CO -0.02 -0.92 0.10 -0.08 0.00 0.00 0.00 175.76 174.83 1gqc s THR 50 N 1.59 0.67 0.00 0.00 -1.32 -0.79 0.83 115.64 116.63 1gqc s THR 50 Ca 0.04 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.52 1gqc s THR 50 Cb -0.17 -2.65 0.00 0.00 -1.51 0.00 0.00 72.50 68.17 1gqc s THR 50 CO 0.06 0.00 0.80 -0.90 -2.21 0.00 0.00 174.62 172.37 1gqc n ASP 51 N -0.59 1.55 -4.04 8.08 5.75 -1.26 0.12 116.55 126.15 1gqc n ASP 51 Ca -0.01 -1.62 -0.29 0.00 -0.01 0.00 0.00 54.79 52.86 1gqc n ASP 51 Cb 0.66 0.00 -0.17 0.00 -1.03 0.00 0.00 41.12 40.59 1gqc n ASP 51 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1gqc s ASP 52 N -0.62 2.51 0.58 -1.12 -1.08 -1.26 -4.86 116.67 110.82 1gqc s ASP 52 Ca 0.00 -0.44 0.28 0.00 -0.52 0.00 0.00 52.55 51.87 1gqc s ASP 52 Cb 0.00 -1.11 1.70 0.00 -1.46 0.00 0.00 42.92 42.05 1gqc s ASP 52 CO 0.00 -0.01 2.17 1.55 0.52 0.00 0.00 175.17 179.40 1gqc h PRO 53 N 7.60 0.00 -0.40 4.34 0.13 -1.99 -1.55 132.00 140.14 1gqc h PRO 53 Ca -0.33 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.70 1gqc h PRO 53 Cb 1.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 1gqc h PRO 53 CO 0.50 0.00 -0.17 0.00 -0.23 0.00 0.00 178.00 178.10 1gqc h ARG 54 N 0.00 0.75 -0.14 0.86 3.08 -2.00 0.45 114.38 117.39 1gqc h ARG 54 Ca 0.05 -0.28 -0.22 0.00 0.07 0.00 0.00 59.98 59.60 1gqc h ARG 54 Cb 0.27 -0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.28 1gqc h ARG 54 CO -0.00 0.88 -0.79 0.28 -1.07 0.00 0.00 179.97 179.26 1gqc h VAL 55 N 0.67 1.29 -0.17 2.04 2.07 -1.68 -2.72 116.25 117.75 1gqc h VAL 55 Ca 0.10 -2.01 0.04 0.00 0.82 0.00 0.00 66.70 65.65 1gqc h VAL 55 Cb 0.66 2.02 -0.04 0.00 -1.52 0.00 0.00 31.29 32.41 1gqc h VAL 55 CO 0.05 0.63 -0.07 -0.08 0.02 0.00 0.00 177.57 178.12 1gqc h GLU 56 N 0.51 -0.05 -0.43 1.57 4.81 -0.92 -1.15 114.58 118.91 1gqc h GLU 56 Ca -0.06 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.18 1gqc h GLU 56 Cb 1.42 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.79 1gqc h GLU 56 CO 0.16 -0.03 0.26 1.96 -0.73 0.00 0.00 179.01 180.63 1gqc h GLN 57 N -0.05 0.58 -0.96 1.92 1.08 -0.97 -2.18 115.11 114.54 1gqc h GLN 57 Ca 0.09 -0.05 0.13 0.00 -1.45 0.00 0.00 58.65 57.37 1gqc h GLN 57 Cb 0.19 -0.12 -0.09 0.00 -0.05 0.00 0.00 27.48 27.41 1gqc h GLN 57 CO -0.20 0.43 0.58 0.00 -0.95 0.00 0.00 178.83 178.69 1gqc h ALA 58 N 1.12 1.46 -0.25 3.87 0.00 -1.07 0.13 119.26 124.53 1gqc h ALA 58 Ca 0.16 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.95 1gqc h ALA 58 Cb -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1gqc h ALA 58 CO -0.03 0.13 -0.46 0.28 0.00 0.00 0.00 179.25 179.17 1gqc h VAL 59 N 0.89 1.30 0.00 0.00 2.07 -0.96 -3.13 116.25 116.43 1gqc h VAL 59 Ca 0.49 -1.67 -0.07 0.00 0.82 0.00 0.00 66.70 66.27 1gqc h VAL 59 Cb 0.55 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.04 1gqc h VAL 59 CO -0.29 0.53 -0.35 1.56 0.02 0.00 0.00 177.57 179.04 1gqc h GLN 60 N 0.50 0.00 -0.57 1.57 4.20 -0.69 0.15 115.11 120.26 1gqc h GLN 60 Ca 0.01 0.00 -0.04 0.00 0.06 0.00 0.00 58.65 58.69 1gqc h GLN 60 Cb 1.07 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.82 1gqc h GLN 60 CO 0.10 0.35 0.21 0.00 -0.67 0.00 0.00 178.83 178.83 1gqc h ALA 61 N 1.65 1.30 -0.49 3.87 0.00 -0.72 -0.87 119.26 124.00 1gqc h ALA 61 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1gqc h ALA 61 Cb 0.64 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.19 1gqc h ALA 61 CO 0.05 0.51 0.00 1.97 0.00 0.00 0.00 179.25 181.78 1gqc n PHE 62 N -4.32 1.07 -1.85 0.00 1.16 -1.00 -4.92 117.46 107.59 1gqc n PHE 62 Ca 0.05 -0.43 -0.06 0.00 -1.87 0.00 0.00 57.45 55.14 1gqc n PHE 62 Cb 0.18 -0.17 -0.01 0.00 -1.61 0.00 0.00 39.48 37.86 1gqc n PHE 62 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1gqc n GLY 63 N 0.97 0.32 3.97 4.97 0.00 -0.33 -5.05 105.19 110.04 1gqc n GLY 63 Ca 0.19 -0.69 -0.21 0.00 0.00 0.00 0.00 46.02 45.31 1gqc n GLY 63 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gqc s GLY 64 N -2.79 1.71 -0.14 -0.02 0.00 0.48 -4.98 107.32 101.58 1gqc s GLY 64 Ca 0.00 -1.27 -0.18 0.00 0.00 0.00 0.00 44.72 43.26 1gqc s GLY 64 CO 0.00 -1.07 0.49 0.54 0.00 0.00 0.00 173.10 173.06 1gqc s LYS 65 N -4.57 4.30 -0.01 2.90 1.02 -1.26 -4.18 119.74 117.94 1gqc s LYS 65 Ca 0.52 0.44 0.04 0.00 0.02 0.00 0.00 55.97 56.99 1gqc s LYS 65 Cb -0.10 -3.47 -0.01 0.00 -0.52 0.00 0.00 37.83 33.72 1gqc s LYS 65 CO 0.37 0.07 -0.14 0.00 -0.92 0.00 0.00 175.35 174.72 1gqc s ALA 66 N 0.93 1.15 -0.02 5.17 0.00 -1.26 -1.42 121.76 126.31 1gqc s ALA 66 Ca 0.25 -0.61 0.06 0.00 0.00 0.00 0.00 51.96 51.66 1gqc s ALA 66 Cb -0.15 -0.28 -0.01 0.00 0.00 0.00 0.00 23.12 22.67 1gqc s ALA 66 CO 0.10 0.28 -0.19 -1.50 0.00 0.00 0.00 175.76 174.45 1gqc s ILE 67 N -0.36 1.55 0.02 0.00 2.07 -0.69 -4.95 121.20 118.83 1gqc s ILE 67 Ca 0.05 -0.82 -0.19 0.00 -1.41 0.00 0.00 60.65 58.28 1gqc s ILE 67 Cb -0.06 -1.30 -0.06 0.00 0.13 0.00 0.00 42.46 41.18 1gqc s ILE 67 CO -0.00 0.44 0.55 -0.04 -1.91 0.00 0.00 174.94 173.97 1gqc s MET 68 N -0.33 4.22 0.22 3.50 -1.94 -1.26 -1.89 119.30 121.82 1gqc s MET 68 Ca 0.04 0.67 0.04 0.00 -1.71 0.00 0.00 55.69 54.73 1gqc s MET 68 Cb -0.09 -3.29 -0.05 0.00 2.01 0.00 0.00 34.83 33.41 1gqc s MET 68 CO 0.00 0.50 -0.03 0.95 -0.01 0.00 0.00 175.02 176.43 1gqc s THR 69 N -0.60 1.14 0.77 2.05 -4.23 0.12 -4.93 115.64 109.96 1gqc s THR 69 Ca 0.29 -2.05 -0.15 0.00 -1.18 0.00 0.00 61.69 58.60 1gqc s THR 69 Cb -0.18 -2.26 0.05 0.00 1.34 0.00 0.00 72.50 71.45 1gqc s THR 69 CO 0.17 -0.41 1.07 0.54 -0.54 0.00 0.00 174.62 175.45 1gqc n ARG 70 N -0.39 0.33 0.03 3.99 1.74 -1.26 -4.30 116.66 116.80 1gqc n ARG 70 Ca -0.06 0.18 0.11 0.00 -0.77 0.00 0.00 57.85 57.31 1gqc n ARG 70 Cb 0.63 -2.33 0.08 0.00 -1.02 0.00 0.00 32.46 29.82 1gqc n ARG 70 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 1gqc n ASN 71 N -2.47 0.63 -0.10 0.55 2.04 -1.26 -4.08 115.26 110.57 1gqc n ASN 71 Ca 0.13 -0.12 0.02 0.00 -0.44 0.00 0.00 54.58 54.17 1gqc n ASN 71 Cb 0.50 0.58 0.08 0.00 -2.53 0.00 0.00 39.78 38.41 1gqc n ASN 71 CO 0.00 0.00 0.00 -0.90 -0.44 0.00 0.00 177.26 175.92 1gqc n ASP 72 N -1.98 0.29 -4.75 0.53 5.68 -1.26 -4.89 116.55 110.18 1gqc n ASP 72 Ca 0.03 -1.94 -0.41 0.00 -0.50 0.00 0.00 54.79 51.96 1gqc n ASP 72 Cb 0.43 -0.03 -0.03 0.00 -1.14 0.00 0.00 41.12 40.35 1gqc n ASP 72 CO 0.00 0.00 0.00 -1.00 -1.33 0.00 0.00 177.20 174.87 1gqc s HIS 73 N -1.93 3.24 -0.04 2.11 3.76 -1.26 -4.95 115.29 116.22 1gqc s HIS 73 Ca 0.06 1.29 0.12 0.00 -0.15 0.00 0.00 55.06 56.39 1gqc s HIS 73 Cb 0.03 -3.60 -0.08 0.00 1.11 0.00 0.00 32.58 30.05 1gqc s HIS 73 CO 0.05 -1.78 1.27 0.93 -0.85 0.00 0.00 174.74 174.36 1gqc h GLU 74 N 4.86 0.00 -3.95 1.40 4.39 -1.96 -3.49 114.58 115.84 1gqc h GLU 74 Ca -0.46 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.11 1gqc h GLU 74 Cb 1.22 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.76 1gqc h GLU 74 CO 0.74 0.67 -0.25 -1.54 -1.16 0.00 0.00 179.01 177.47 1gqc s SER 75 N -6.46 0.13 0.14 1.42 1.04 -1.26 -5.03 113.70 103.68 1gqc s SER 75 Ca 0.02 -1.13 -0.14 0.00 0.48 0.00 0.00 55.95 55.18 1gqc s SER 75 Cb 0.09 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.78 1gqc s SER 75 CO 0.79 -1.10 1.68 1.23 0.98 0.00 0.00 173.24 176.81 1gqc h GLY 76 N 2.32 0.77 1.33 7.32 0.00 -1.99 -1.37 103.07 111.45 1gqc h GLY 76 Ca -0.29 -0.45 -0.02 0.00 0.00 0.00 0.00 47.33 46.58 1gqc h GLY 76 CO 0.40 0.42 0.33 -0.84 0.00 0.00 0.00 176.54 176.85 1gqc h THR 77 N 0.62 1.20 -0.53 4.70 2.02 -1.99 0.00 112.91 118.92 1gqc h THR 77 Ca 0.15 -0.51 -0.07 0.00 0.77 0.00 0.00 66.41 66.75 1gqc h THR 77 Cb 0.25 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 1gqc h THR 77 CO -0.01 0.22 0.07 0.44 0.37 0.00 0.00 175.52 176.62 1gqc h ASP 78 N 0.88 0.86 -0.62 4.18 3.32 -1.89 -2.66 116.42 120.49 1gqc h ASP 78 Ca 0.22 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 56.99 1gqc h ASP 78 Cb 0.05 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 1gqc h ASP 78 CO -0.03 0.91 0.33 -0.09 -1.72 0.00 0.00 179.24 178.64 1gqc h ARG 79 N 0.78 0.89 0.00 3.56 2.43 -0.11 -1.85 114.38 120.08 1gqc h ARG 79 Ca 0.16 -0.10 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 1gqc h ARG 79 Cb 0.43 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1gqc h ARG 79 CO 0.01 0.67 -0.23 -0.07 -1.51 0.00 0.00 179.97 178.84 1gqc h LEU 80 N 0.89 0.00 -0.58 3.80 4.07 -0.72 -2.68 115.31 120.09 1gqc h LEU 80 Ca 0.23 0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.17 1gqc h LEU 80 Cb 0.05 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.77 1gqc h LEU 80 CO -0.03 0.23 0.29 0.58 -1.08 0.00 0.00 178.44 178.43 1gqc h VAL 81 N 0.00 1.20 -0.86 1.22 2.07 -1.01 0.11 116.25 118.99 1gqc h VAL 81 Ca -0.00 -0.55 0.01 0.00 0.82 0.00 0.00 66.70 66.97 1gqc h VAL 81 Cb 0.53 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 1gqc h VAL 81 CO 0.03 0.23 0.56 -0.08 0.02 0.00 0.00 177.57 178.32 1gqc h GLU 82 N 0.79 1.13 -0.42 1.57 4.81 -1.47 -1.75 114.58 119.24 1gqc h GLU 82 Ca 0.20 -0.07 -0.10 0.00 -0.13 0.00 0.00 59.36 59.26 1gqc h GLU 82 Cb 0.09 -0.25 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 1gqc h GLU 82 CO -0.03 0.76 -0.13 0.28 -0.73 0.00 0.00 179.01 179.16 1gqc h VAL 83 N 1.16 1.26 -0.88 0.32 2.07 -1.32 -3.11 116.25 115.75 1gqc h VAL 83 Ca 0.31 -1.19 0.10 0.00 0.82 0.00 0.00 66.70 66.74 1gqc h VAL 83 Cb -0.12 1.08 -0.08 0.00 -1.52 0.00 0.00 31.29 30.65 1gqc h VAL 83 CO -0.07 0.41 0.52 -0.03 0.02 0.00 0.00 177.57 178.42 1gqc h MET 84 N 0.69 0.83 0.00 1.57 1.85 0.12 0.12 114.93 120.11 1gqc h MET 84 Ca 0.11 -0.05 -0.00 0.00 -0.61 0.00 0.00 59.70 59.15 1gqc h MET 84 Cb 0.61 -0.19 -0.00 0.00 0.43 0.00 0.00 31.60 32.46 1gqc h MET 84 CO 0.04 0.55 -0.00 0.45 -0.40 0.00 0.00 176.91 177.55 1gqc h HIS 85 N 0.85 0.00 0.00 1.39 -0.00 -1.45 -3.10 115.15 112.84 1gqc h HIS 85 Ca 0.43 0.00 -0.32 0.00 -0.00 0.00 0.00 60.37 60.48 1gqc h HIS 85 Cb 0.40 0.00 -0.06 0.00 -0.00 0.00 0.00 27.41 27.75 1gqc h HIS 85 CO -0.05 0.00 -2.19 1.63 -0.00 0.00 0.00 177.93 177.32 1gqc n LYS 86 N -3.80 0.84 -3.57 2.45 5.02 -0.52 -4.88 118.16 113.71 1gqc n LYS 86 Ca -0.03 0.07 -0.41 0.00 -2.02 0.00 0.00 58.31 55.92 1gqc n LYS 86 Cb 0.08 -1.43 -0.10 0.00 -0.02 0.00 0.00 35.03 33.56 1gqc n LYS 86 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1gqc s VAL 87 N -2.42 4.52 0.19 -0.18 1.01 0.31 -5.07 120.40 118.76 1gqc s VAL 87 Ca -0.20 -1.15 -0.30 0.00 0.00 0.00 0.00 61.98 60.33 1gqc s VAL 87 Cb 0.06 -3.66 -0.08 0.00 0.00 0.00 0.00 36.38 32.70 1gqc s VAL 87 CO 0.58 -0.42 1.08 -1.83 0.00 0.00 0.00 175.10 174.51 1gqc s GLU 88 N 1.51 4.62 -0.09 2.72 -1.05 -1.26 -4.57 118.70 120.58 1gqc s GLU 88 Ca 0.03 1.70 -0.30 0.00 -0.15 0.00 0.00 54.97 56.25 1gqc s GLU 88 Cb -0.22 -3.27 0.12 0.00 -0.44 0.00 0.00 34.13 30.32 1gqc s GLU 88 CO 0.04 0.13 0.97 0.00 0.95 0.00 0.00 175.26 177.35 1gqc s ALA 89 N -0.42 -1.90 -0.05 -0.84 0.00 -1.26 -4.94 121.76 112.35 1gqc s ALA 89 Ca 0.48 1.33 -0.17 0.00 0.00 0.00 0.00 51.96 53.61 1gqc s ALA 89 Cb -0.29 -0.15 -0.31 0.00 0.00 0.00 0.00 23.12 22.38 1gqc s ALA 89 CO 0.35 -0.51 0.75 -0.44 0.00 0.00 0.00 175.76 175.92 1gqc h ASP 90 N 2.26 0.53 -3.92 0.00 3.32 -0.54 -3.42 116.42 114.65 1gqc h ASP 90 Ca -0.19 -0.91 -0.67 0.00 0.02 0.00 0.00 57.03 55.28 1gqc h ASP 90 Cb 1.20 -0.17 -0.32 0.00 0.22 0.00 0.00 39.33 40.26 1gqc h ASP 90 CO 0.30 1.60 -0.88 -0.63 -1.72 0.00 0.00 179.24 177.92 1gqc s ILE 91 N -2.50 1.97 -0.10 0.35 1.01 -0.75 -0.54 121.20 120.63 1gqc s ILE 91 Ca -0.16 -1.01 0.03 0.00 0.00 0.00 0.00 60.65 59.51 1gqc s ILE 91 Cb 0.03 -1.67 -0.00 0.00 0.01 0.00 0.00 42.46 40.83 1gqc s ILE 91 CO 0.83 0.55 -0.21 -0.31 0.00 0.00 0.00 174.94 175.79 1gqc s TYR 92 N -0.08 2.61 -0.20 3.97 1.51 -0.17 -1.69 117.35 123.30 1gqc s TYR 92 Ca -0.05 -0.92 -0.03 0.00 -1.01 0.00 0.00 57.07 55.05 1gqc s TYR 92 Cb -0.14 -1.73 -0.01 0.00 -0.11 0.00 0.00 41.96 39.97 1gqc s TYR 92 CO 0.04 -0.35 -0.05 0.42 -1.11 0.00 0.00 175.55 174.50 1gqc s ILE 93 N 0.29 3.40 -0.39 2.71 1.01 -0.43 0.04 121.20 127.84 1gqc s ILE 93 Ca -0.16 -0.49 -0.17 0.00 0.00 0.00 0.00 60.65 59.83 1gqc s ILE 93 Cb -0.17 -2.53 0.01 0.00 0.01 0.00 0.00 42.46 39.78 1gqc s ILE 93 CO 0.08 0.44 0.41 0.21 0.00 0.00 0.00 174.94 176.09 1gqc s ASN 94 N 1.19 6.19 -0.19 3.58 3.84 0.22 -0.85 114.94 128.93 1gqc s ASN 94 Ca 0.02 -0.51 -0.04 0.00 0.21 0.00 0.00 52.86 52.54 1gqc s ASN 94 Cb -0.14 -2.22 -0.02 0.00 -0.55 0.00 0.00 41.25 38.32 1gqc s ASN 94 CO -0.01 -0.50 -0.02 -0.76 -2.79 0.00 0.00 177.10 173.02 1gqc s LEU 95 N 2.10 3.16 0.29 3.21 1.43 -0.99 -1.97 118.68 125.91 1gqc s LEU 95 Ca 0.12 -0.22 -0.30 0.00 -1.03 0.00 0.00 54.13 52.70 1gqc s LEU 95 Cb -0.17 -1.79 -0.11 0.00 0.03 0.00 0.00 46.19 44.16 1gqc s LEU 95 CO 0.13 0.08 1.48 -1.10 0.23 0.00 0.00 176.35 177.18 1gqc s GLN 96 N 0.88 4.20 0.00 1.70 -0.21 -1.26 -3.95 119.66 121.03 1gqc s GLN 96 Ca 0.00 2.43 0.30 0.00 0.02 0.00 0.00 55.36 58.11 1gqc s GLN 96 Cb -0.14 -3.05 1.72 0.00 1.00 0.00 0.00 33.01 32.53 1gqc s GLN 96 CO 0.02 -0.48 2.12 0.41 -2.12 0.00 0.00 175.29 175.23 1gqc n GLY 97 N 1.78 -1.07 0.51 3.09 0.00 -1.23 -3.64 105.19 104.62 1gqc n GLY 97 Ca 0.06 -0.17 0.06 0.00 0.00 0.00 0.00 46.02 45.96 1gqc n GLY 97 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1gqc n ASP 98 N -1.10 2.97 -3.79 1.61 5.68 -1.26 -4.55 116.55 116.11 1gqc n ASP 98 Ca 0.20 -2.51 -0.29 0.00 -0.50 0.00 0.00 54.79 51.69 1gqc n ASP 98 Cb 0.15 -0.32 -0.12 0.00 -1.14 0.00 0.00 41.12 39.69 1gqc n ASP 98 CO 0.00 0.00 0.00 -1.61 -1.33 0.00 0.00 177.20 174.26 1gqc s GLU 99 N -1.90 1.87 0.07 0.11 8.01 -1.24 -2.56 118.70 123.06 1gqc s GLU 99 Ca 0.26 -2.73 0.21 0.00 0.01 0.00 0.00 54.97 52.72 1gqc s GLU 99 Cb 0.20 -2.84 0.85 0.00 -4.31 0.00 0.00 34.13 28.02 1gqc s GLU 99 CO 0.08 -1.25 1.65 -0.35 0.01 0.00 0.00 175.26 175.41 1gqc n PRO 100 N 2.65 0.06 -0.30 0.39 -0.04 -1.26 -3.30 135.00 133.19 1gqc n PRO 100 Ca 0.16 0.22 0.06 0.00 -0.04 0.00 0.00 63.50 63.91 1gqc n PRO 100 Cb 0.36 -1.59 0.21 0.00 -0.04 0.00 0.00 33.50 32.44 1gqc n PRO 100 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1gqc n MET 101 N -1.70 2.34 -1.68 0.54 2.81 -1.26 -4.67 117.12 113.49 1gqc n MET 101 Ca 0.04 -1.67 -0.43 0.00 -1.81 0.00 0.00 57.70 53.83 1gqc n MET 101 Cb 0.24 -1.49 -0.01 0.00 -0.71 0.00 0.00 33.22 31.26 1gqc n MET 101 CO 0.00 0.00 0.00 1.51 1.51 0.00 0.00 175.97 178.99 1gqc n ILE 102 N 0.71 2.00 -3.50 2.02 0.13 -1.21 -4.60 119.36 114.91 1gqc n ILE 102 Ca 0.15 -0.50 -0.42 0.00 -1.10 0.00 0.00 62.75 60.88 1gqc n ILE 102 Cb 0.48 -1.47 -0.10 0.00 -0.84 0.00 0.00 39.64 37.71 1gqc n ILE 102 CO 0.00 0.00 0.00 -0.13 2.80 0.00 0.00 176.55 179.22 1gqc s ARG 103 N -1.82 3.09 0.36 9.51 0.52 -1.26 -4.97 118.95 124.37 1gqc s ARG 103 Ca 0.56 -0.93 0.17 0.00 -0.52 0.00 0.00 55.73 55.01 1gqc s ARG 103 Cb -0.59 -3.90 1.18 0.00 0.52 0.00 0.00 34.95 32.16 1gqc s ARG 103 CO 0.62 -0.66 1.64 -1.35 0.02 0.00 0.00 175.30 175.56 1gqc h PRO 104 N 8.57 0.21 -0.35 3.54 0.11 -1.93 0.63 132.00 142.78 1gqc h PRO 104 Ca -0.28 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.81 1gqc h PRO 104 Cb 1.13 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1gqc h PRO 104 CO 0.70 0.14 0.18 -0.09 -0.21 0.00 0.00 178.00 178.72 1gqc h ARG 105 N 0.22 0.48 -0.36 1.05 9.65 -1.93 -1.88 114.38 121.60 1gqc h ARG 105 Ca 0.77 -0.04 -0.15 0.00 -1.10 0.00 0.00 59.98 59.46 1gqc h ARG 105 Cb 1.89 -0.10 -0.01 0.00 -1.39 0.00 0.00 29.97 30.36 1gqc h ARG 105 CO -0.64 0.37 -0.36 -0.44 2.80 0.00 0.00 179.97 181.69 1gqc h ASP 106 N 0.49 0.90 0.30 -3.80 3.32 -0.14 -2.08 116.42 115.42 1gqc h ASP 106 Ca 0.13 -0.40 -0.06 0.00 0.02 0.00 0.00 57.03 56.71 1gqc h ASP 106 Cb 0.03 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 1gqc h ASP 106 CO -0.02 1.17 -0.30 0.58 -1.72 0.00 0.00 179.24 178.94 1gqc h VAL 107 N 0.70 1.22 -0.12 -1.35 2.07 -1.21 -2.06 116.25 115.51 1gqc h VAL 107 Ca 0.06 -1.04 -0.17 0.00 0.82 0.00 0.00 66.70 66.37 1gqc h VAL 107 Cb 0.93 1.56 -0.01 0.00 -1.52 0.00 0.00 31.29 32.26 1gqc h VAL 107 CO 0.09 0.30 -0.64 -0.33 0.02 0.00 0.00 177.57 177.00 1gqc h GLU 108 N 0.00 0.45 -0.48 1.57 5.08 -1.04 -1.60 114.58 118.55 1gqc h GLU 108 Ca -0.00 -0.32 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 1gqc h GLU 108 Cb 0.54 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 1gqc h GLU 108 CO 0.04 0.94 0.31 1.15 -1.00 0.00 0.00 179.01 180.45 1gqc h THR 109 N 0.33 1.13 -0.30 1.13 2.02 -0.84 0.84 112.91 117.22 1gqc h THR 109 Ca -0.01 -0.25 0.03 0.00 0.77 0.00 0.00 66.41 66.95 1gqc h THR 109 Cb 1.19 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 68.00 1gqc h THR 109 CO 0.11 0.13 0.11 0.25 0.37 0.00 0.00 175.52 176.49 1gqc h LEU 110 N 0.65 0.12 -0.91 2.58 5.85 -1.19 -1.45 115.31 120.96 1gqc h LEU 110 Ca 0.18 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.84 1gqc h LEU 110 Cb -0.06 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1gqc h LEU 110 CO -0.04 0.10 -0.16 0.25 -0.34 0.00 0.00 178.44 178.26 1gqc h LEU 111 N 0.24 0.61 -0.70 2.25 6.46 -0.92 -2.85 115.31 120.40 1gqc h LEU 111 Ca 0.13 -0.18 -0.06 0.00 -0.12 0.00 0.00 57.88 57.65 1gqc h LEU 111 Cb 0.10 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 39.83 1gqc h LEU 111 CO -0.13 0.79 0.20 -0.61 -0.62 0.00 0.00 178.44 178.07 1gqc h GLN 112 N 0.56 1.11 -0.80 1.25 5.75 -0.42 -1.40 115.11 121.16 1gqc h GLN 112 Ca 0.09 -0.25 -0.01 0.00 -0.15 0.00 0.00 58.65 58.33 1gqc h GLN 112 Cb 0.59 -0.15 -0.04 0.00 1.07 0.00 0.00 27.48 28.95 1gqc h GLN 112 CO 0.04 0.96 0.44 0.78 -2.65 0.00 0.00 178.83 178.40 1gqc h GLY 113 N 1.04 1.19 0.83 2.39 0.00 -1.06 0.19 103.07 107.66 1gqc h GLY 113 Ca 0.22 -0.54 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 1gqc h GLY 113 CO -0.00 0.52 -0.04 -0.33 0.00 0.00 0.00 176.54 176.68 1gqc h MET 114 N 1.11 -0.10 0.00 4.80 2.86 -1.26 -2.81 114.93 119.52 1gqc h MET 114 Ca 0.28 0.01 -0.06 0.00 -2.06 0.00 0.00 59.70 57.87 1gqc h MET 114 Cb 0.03 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 1gqc h MET 114 CO -0.05 0.08 -0.29 0.00 1.06 0.00 0.00 176.91 177.72 1gqc h ARG 115 N -0.28 0.00 0.00 1.72 3.08 -0.99 -2.36 114.38 115.55 1gqc h ARG 115 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1gqc h ARG 115 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.29 1gqc h ARG 115 CO 0.02 0.29 0.00 -0.44 -1.07 0.00 0.00 179.97 178.77 1gqc h ASP 116 N 0.00 0.00 -2.42 7.04 5.19 -0.52 -3.37 116.42 122.34 1gqc h ASP 116 Ca -0.00 0.00 -0.54 0.00 -0.62 0.00 0.00 57.03 55.86 1gqc h ASP 116 Cb 0.53 0.00 -0.37 0.00 0.18 0.00 0.00 39.33 39.67 1gqc h ASP 116 CO 0.04 0.00 -0.84 -0.62 -3.12 0.00 0.00 179.24 174.70 1gqc s ASP 117 N -5.61 2.36 0.00 6.45 -1.08 -0.89 -4.99 116.67 112.90 1gqc s ASP 117 Ca 0.03 -2.24 0.00 0.00 -0.52 0.00 0.00 52.55 49.82 1gqc s ASP 117 Cb 0.08 -0.22 0.00 0.00 -1.46 0.00 0.00 42.92 41.32 1gqc s ASP 117 CO 0.56 -0.27 0.92 -0.81 0.52 0.00 0.00 175.17 176.08 1gqc n PRO 118 N 3.85 0.00 0.01 4.34 -0.04 -1.20 -1.40 135.00 140.56 1gqc n PRO 118 Ca 0.15 0.42 0.11 0.00 -0.04 0.00 0.00 63.50 64.14 1gqc n PRO 118 Cb 0.40 -1.54 0.09 0.00 -0.04 0.00 0.00 33.50 32.41 1gqc n PRO 118 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1gqc n ALA 119 N -1.42 3.76 -2.33 0.55 0.00 -1.26 -4.88 120.51 114.93 1gqc n ALA 119 Ca 0.00 -0.42 -0.43 0.00 0.00 0.00 0.00 53.44 52.59 1gqc n ALA 119 Cb 0.04 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.47 1gqc n ALA 119 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1gqc s LEU 120 N -3.35 4.21 -0.01 0.00 2.96 -0.50 -4.94 118.68 117.06 1gqc s LEU 120 Ca 0.08 1.81 -0.23 0.00 -0.22 0.00 0.00 54.13 55.57 1gqc s LEU 120 Cb 0.16 -3.54 -0.19 0.00 0.50 0.00 0.00 46.19 43.12 1gqc s LEU 120 CO 0.77 -0.80 1.22 -0.65 -1.32 0.00 0.00 176.35 175.57 1gqc h PRO 121 N 8.52 0.21 -3.85 0.98 0.11 -1.90 -3.43 132.00 132.64 1gqc h PRO 121 Ca -0.29 -0.14 -0.21 0.00 0.11 0.00 0.00 66.00 65.46 1gqc h PRO 121 Cb 1.12 0.02 -0.25 0.00 0.11 0.00 0.00 31.00 32.00 1gqc h PRO 121 CO 0.97 0.74 -0.71 0.08 -0.21 0.00 0.00 178.00 178.86 1gqc s VAL 122 N -3.89 0.06 0.07 3.15 1.01 -1.17 -1.46 120.40 118.18 1gqc s VAL 122 Ca -0.15 -0.36 0.05 0.00 0.00 0.00 0.00 61.98 61.52 1gqc s VAL 122 Cb 0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 36.38 36.26 1gqc s VAL 122 CO 0.73 -0.19 -0.15 0.00 0.00 0.00 0.00 175.10 175.49 1gqc s ALA 123 N -0.57 1.24 0.34 5.51 0.00 -0.03 -1.42 121.76 126.83 1gqc s ALA 123 Ca -0.06 -1.02 -0.05 0.00 0.00 0.00 0.00 51.96 50.83 1gqc s ALA 123 Cb -0.04 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 22.97 1gqc s ALA 123 CO -0.00 0.19 0.51 -0.08 0.00 0.00 0.00 175.76 176.38 1gqc s THR 124 N -1.24 0.00 0.21 0.00 -1.32 -0.45 -1.12 115.64 111.73 1gqc s THR 124 Ca -0.01 -1.51 0.09 0.00 -1.21 0.00 0.00 61.69 59.05 1gqc s THR 124 Cb -0.10 -2.63 -0.04 0.00 -1.51 0.00 0.00 72.50 68.22 1gqc s THR 124 CO 0.02 0.00 -0.07 -0.76 -2.21 0.00 0.00 174.62 171.60 1gqc s LEU 125 N -3.19 3.03 0.09 9.08 1.43 -1.25 -2.28 118.68 125.60 1gqc s LEU 125 Ca 0.28 -0.61 -0.19 0.00 -1.03 0.00 0.00 54.13 52.57 1gqc s LEU 125 Cb -0.01 -1.66 0.04 0.00 0.03 0.00 0.00 46.19 44.60 1gqc s LEU 125 CO 0.18 0.07 0.46 0.00 0.23 0.00 0.00 176.35 177.29 1gqc s HIS 127 N -3.16 -0.21 0.40 0.00 -3.43 -0.75 -1.12 115.29 107.02 1gqc s HIS 127 Ca -0.01 0.34 -0.27 0.00 -0.80 0.00 0.00 55.06 54.32 1gqc s HIS 127 Cb 0.00 0.11 -0.10 0.00 -1.43 0.00 0.00 32.58 31.16 1gqc s HIS 127 CO -0.07 -0.39 1.36 0.00 -2.00 0.00 0.00 174.74 173.64 1gqc n ALA 128 N 1.36 1.68 -2.32 -1.38 0.00 -1.26 -0.96 120.51 117.63 1gqc n ALA 128 Ca -0.21 0.30 -0.08 0.00 0.00 0.00 0.00 53.44 53.45 1gqc n ALA 128 Cb 0.56 -2.32 -0.09 0.00 0.00 0.00 0.00 19.45 17.60 1gqc n ALA 128 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1gqc s ILE 129 N -1.15 0.18 0.62 0.00 -4.36 -0.19 -4.81 121.20 111.49 1gqc s ILE 129 Ca 0.58 -1.50 -0.14 0.00 -0.26 0.00 0.00 60.65 59.33 1gqc s ILE 129 Cb -0.50 -1.41 -0.03 0.00 1.25 0.00 0.00 42.46 41.77 1gqc s ILE 129 CO 0.60 -0.83 1.05 -0.94 0.24 0.00 0.00 174.94 175.06 1gqc s SER 130 N -2.86 5.80 0.35 4.36 1.04 -1.26 -3.78 113.70 117.34 1gqc s SER 130 Ca 0.06 1.69 0.03 0.00 0.48 0.00 0.00 55.95 58.20 1gqc s SER 130 Cb 0.06 -2.51 0.63 0.00 0.10 0.00 0.00 66.02 64.29 1gqc s SER 130 CO -0.10 -1.16 1.97 0.00 0.98 0.00 0.00 173.24 174.93 1gqc h ALA 131 N 0.07 1.50 -0.67 5.32 0.00 -1.96 -1.18 119.26 122.34 1gqc h ALA 131 Ca -0.46 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.30 1gqc h ALA 131 Cb 1.21 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.75 1gqc h ALA 131 CO 0.58 0.42 0.14 0.00 0.00 0.00 0.00 179.25 180.39 1gqc h ALA 132 N 1.57 0.99 -0.15 0.00 0.00 -2.02 -2.33 119.26 117.31 1gqc h ALA 132 Ca 0.20 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.75 1gqc h ALA 132 Cb 0.02 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1gqc h ALA 132 CO -0.03 0.65 -0.36 0.93 0.00 0.00 0.00 179.25 180.43 1gqc h GLU 133 N 1.02 0.33 0.00 0.00 5.08 -1.78 -2.78 114.58 116.44 1gqc h GLU 133 Ca 0.21 -0.15 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 1gqc h GLU 133 Cb 0.39 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.63 1gqc h GLU 133 CO 0.01 0.65 0.00 0.00 -1.00 0.00 0.00 179.01 178.67 1gqc n ALA 134 N -2.48 1.96 0.14 3.43 0.00 -0.50 -3.48 120.51 119.58 1gqc n ALA 134 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1gqc n ALA 134 Cb 0.46 -1.33 0.18 0.00 0.00 0.00 0.00 19.45 18.76 1gqc n ALA 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gqc h ALA 135 N 2.76 0.93 -2.53 0.00 0.00 -1.20 -3.39 119.26 115.83 1gqc h ALA 135 Ca 0.00 -0.53 -0.53 0.00 0.00 0.00 0.00 54.91 53.85 1gqc h ALA 135 Cb 0.31 -0.09 0.02 0.00 0.00 0.00 0.00 17.79 18.03 1gqc h ALA 135 CO 0.00 0.73 0.80 -1.21 0.00 0.00 0.00 179.25 179.57 1gqc s GLU 136 N -3.53 4.28 0.37 0.00 0.41 -1.23 -4.84 118.70 114.18 1gqc s GLU 136 Ca -0.01 2.15 0.13 0.00 -0.41 0.00 0.00 54.97 56.84 1gqc s GLU 136 Cb 0.12 -3.30 0.74 0.00 -1.78 0.00 0.00 34.13 29.91 1gqc s GLU 136 CO 0.75 -0.52 1.83 -1.35 -0.49 0.00 0.00 175.26 175.48 1gqc h PRO 137 N 7.08 0.00 0.00 0.39 0.11 -1.87 -2.52 132.00 135.18 1gqc h PRO 137 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1gqc h PRO 137 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1gqc h PRO 137 CO 0.89 0.37 0.00 0.66 -0.21 0.00 0.00 178.00 179.70 1gqc h SER 138 N 0.00 0.00 -3.79 -2.05 4.64 -1.92 -3.40 113.55 107.04 1gqc h SER 138 Ca -0.00 0.00 -0.65 0.00 -0.47 0.00 0.00 61.79 60.66 1gqc h SER 138 Cb 0.66 0.00 -0.19 0.00 -0.31 0.00 0.00 62.40 62.56 1gqc h SER 138 CO 0.05 0.00 -0.53 -0.89 -0.87 0.00 0.00 176.83 174.59 1gqc s THR 139 N -3.52 5.09 0.22 2.95 2.01 -0.95 -5.07 115.64 116.37 1gqc s THR 139 Ca 0.02 -0.05 -0.29 0.00 0.31 0.00 0.00 61.69 61.69 1gqc s THR 139 Cb 0.09 -3.49 -0.09 0.00 0.01 0.00 0.00 72.50 69.03 1gqc s THR 139 CO 0.46 0.17 0.89 -0.69 -0.69 0.00 0.00 174.62 174.76 1gqc s VAL 140 N 1.71 4.16 0.14 3.82 1.01 -1.26 -4.79 120.40 125.20 1gqc s VAL 140 Ca 0.06 1.97 0.05 0.00 0.00 0.00 0.00 61.98 64.07 1gqc s VAL 140 Cb -0.16 -4.27 -0.04 0.00 0.00 0.00 0.00 36.38 31.91 1gqc s VAL 140 CO 0.09 0.51 0.06 -0.54 0.00 0.00 0.00 175.10 175.22 1gqc s LYS 141 N -1.17 2.68 0.02 2.72 3.01 0.03 -0.60 119.74 126.43 1gqc s LYS 141 Ca 0.39 -0.90 0.03 0.00 -1.01 0.00 0.00 55.97 54.48 1gqc s LYS 141 Cb -0.25 -2.55 -0.02 0.00 -1.01 0.00 0.00 37.83 34.00 1gqc s LYS 141 CO 0.30 0.50 -0.09 0.54 0.51 0.00 0.00 175.35 177.11 1gqc s VAL 142 N -1.58 0.71 -0.11 3.17 0.11 -0.48 -1.67 120.40 120.54 1gqc s VAL 142 Ca 0.28 -0.72 0.02 0.00 -2.93 0.00 0.00 61.98 58.64 1gqc s VAL 142 Cb -0.11 -0.66 0.01 0.00 -1.53 0.00 0.00 36.38 34.10 1gqc s VAL 142 CO 0.21 -0.04 -0.17 -0.69 -3.33 0.00 0.00 175.10 171.07 1gqc s VAL 143 N -0.71 1.63 0.45 2.04 1.01 -0.86 -4.17 120.40 119.80 1gqc s VAL 143 Ca -0.01 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.29 1gqc s VAL 143 Cb -0.06 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 1gqc s VAL 143 CO 0.00 0.47 0.09 0.68 0.00 0.00 0.00 175.10 176.34 1gqc s VAL 144 N 0.82 1.81 0.20 2.92 -7.23 -1.26 0.24 120.40 117.90 1gqc s VAL 144 Ca -0.09 -1.87 0.02 0.00 -1.81 0.00 0.00 61.98 58.23 1gqc s VAL 144 Cb -0.16 -2.68 0.02 0.00 0.56 0.00 0.00 36.38 34.13 1gqc s VAL 144 CO 0.01 0.00 0.20 -0.46 -0.31 0.00 0.00 175.10 174.54 1gqc n ASN 145 N -1.21 1.24 0.28 4.85 0.23 -0.41 -4.81 115.26 115.43 1gqc n ASN 145 Ca -0.08 -1.61 0.15 0.00 -0.53 0.00 0.00 54.58 52.52 1gqc n ASN 145 Cb 0.66 -0.07 0.79 0.00 -2.08 0.00 0.00 39.78 39.08 1gqc n ASN 145 CO 0.00 0.00 0.00 0.71 -0.93 0.00 0.00 177.26 177.04 1gqc h THR 146 N 0.34 0.40 -0.28 5.53 1.35 -2.02 -1.74 112.91 116.49 1gqc h THR 146 Ca -0.11 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 1gqc h THR 146 Cb 0.44 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1gqc h THR 146 CO 0.17 0.08 0.00 0.54 -0.25 0.00 0.00 175.52 176.06 1gqc n ARG 147 N -3.47 1.71 -0.96 4.72 1.74 -1.26 -4.88 116.66 114.25 1gqc n ARG 147 Ca -0.02 -1.10 0.00 0.00 -0.77 0.00 0.00 57.85 55.97 1gqc n ARG 147 Cb 0.23 -1.28 0.00 0.00 -1.02 0.00 0.00 32.46 30.39 1gqc n ARG 147 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 1gqc n GLN 148 N 0.37 -0.47 -2.40 5.56 1.13 -0.65 -4.90 117.38 116.01 1gqc n GLN 148 Ca 0.12 0.12 -0.36 0.00 -1.94 0.00 0.00 57.00 54.94 1gqc n GLN 148 Cb 0.27 -3.50 -0.02 0.00 0.11 0.00 0.00 30.24 27.10 1gqc n GLN 148 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1gqc s ASP 149 N -2.17 6.22 0.06 1.08 1.01 -1.26 -0.96 116.67 120.65 1gqc s ASP 149 Ca 0.00 2.11 -0.29 0.00 0.71 0.00 0.00 52.55 55.08 1gqc s ASP 149 Cb 0.00 -2.58 -0.05 0.00 1.01 0.00 0.00 42.92 41.30 1gqc s ASP 149 CO 0.00 -0.87 0.91 0.00 0.21 0.00 0.00 175.17 175.42 1gqc s ALA 150 N -1.76 3.25 -0.13 5.23 0.00 -0.29 -1.29 121.76 126.77 1gqc s ALA 150 Ca 0.66 0.48 -0.16 0.00 0.00 0.00 0.00 51.96 52.94 1gqc s ALA 150 Cb -0.22 -3.22 -0.25 0.00 0.00 0.00 0.00 23.12 19.42 1gqc s ALA 150 CO 0.27 -0.07 0.47 -0.07 0.00 0.00 0.00 175.76 176.37 1gqc h LEU 151 N 5.98 0.29 -7.00 0.00 3.38 -0.53 -3.45 115.31 113.97 1gqc h LEU 151 Ca -0.42 -0.80 0.06 0.00 0.09 0.00 0.00 57.88 56.80 1gqc h LEU 151 Cb 1.21 -0.09 -0.18 0.00 0.09 0.00 0.00 40.66 41.68 1gqc h LEU 151 CO 0.73 1.59 0.44 -0.47 0.09 0.00 0.00 178.44 180.82 1gqc s TYR 152 N -2.45 -0.42 0.09 1.13 5.04 -1.18 -5.04 117.35 114.52 1gqc s TYR 152 Ca -0.22 0.53 0.10 0.00 -2.44 0.00 0.00 57.07 55.04 1gqc s TYR 152 Cb 0.05 0.49 -0.04 0.00 0.35 0.00 0.00 41.96 42.81 1gqc s TYR 152 CO 0.73 -0.51 -0.26 -0.06 -1.34 0.00 0.00 175.55 174.11 1gqc s PHE 153 N -2.12 2.33 -0.02 4.97 0.40 -1.26 -2.02 117.98 120.26 1gqc s PHE 153 Ca -0.00 -0.38 -0.29 0.00 -0.60 0.00 0.00 56.93 55.66 1gqc s PHE 153 Cb -0.01 -1.31 0.10 0.00 0.51 0.00 0.00 43.02 42.31 1gqc s PHE 153 CO -0.02 0.26 0.85 0.45 0.70 0.00 0.00 175.22 177.45 1gqc s SER 154 N -1.73 -0.43 0.08 1.36 0.15 -0.67 -4.99 113.70 107.46 1gqc s SER 154 Ca 0.13 0.17 0.25 0.00 0.70 0.00 0.00 55.95 57.21 1gqc s SER 154 Cb -0.10 0.41 0.54 0.00 -1.71 0.00 0.00 66.02 65.16 1gqc s SER 154 CO 0.05 -0.61 1.46 0.54 1.20 0.00 0.00 173.24 175.88 1gqc n ARG 155 N 0.09 0.16 -2.91 5.44 1.74 -1.26 -0.79 116.66 119.13 1gqc n ARG 155 Ca -0.11 0.06 -0.37 0.00 -0.77 0.00 0.00 57.85 56.66 1gqc n ARG 155 Cb 0.61 -1.62 -0.06 0.00 -1.02 0.00 0.00 32.46 30.37 1gqc n ARG 155 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1gqc s SER 156 N -3.73 7.23 -0.57 0.55 0.15 -1.26 -4.31 113.70 111.75 1gqc s SER 156 Ca 0.09 1.66 -0.26 0.00 0.70 0.00 0.00 55.95 58.14 1gqc s SER 156 Cb 0.15 -2.51 -0.04 0.00 -1.71 0.00 0.00 66.02 61.91 1gqc s SER 156 CO 0.68 -0.02 2.02 -2.84 1.20 0.00 0.00 173.24 174.29 1gqc s PRO 157 N -1.99 2.47 0.01 5.44 0.02 -1.26 -4.73 135.00 134.95 1gqc s PRO 157 Ca 0.47 0.85 0.06 0.00 0.02 0.00 0.00 61.00 62.40 1gqc s PRO 157 Cb -0.18 -4.45 -0.02 0.00 0.02 0.00 0.00 34.50 29.88 1gqc s PRO 157 CO 0.23 -2.89 -0.20 0.96 -0.33 0.00 0.00 177.00 174.77 1gqc s ILE 158 N 10.00 1.58 0.45 2.83 -4.36 -1.26 -3.67 121.20 126.77 1gqc s ILE 158 Ca 0.76 -0.97 -0.24 0.00 -0.26 0.00 0.00 60.65 59.94 1gqc s ILE 158 Cb -0.14 -1.34 -0.07 0.00 1.25 0.00 0.00 42.46 42.16 1gqc s ILE 158 CO 0.22 0.34 1.23 -2.16 0.24 0.00 0.00 174.94 174.82 1gqc s PRO 159 N -0.74 3.75 0.27 0.37 0.04 -1.26 -4.68 135.00 132.75 1gqc s PRO 159 Ca 0.07 1.95 -0.30 0.00 0.04 0.00 0.00 61.00 62.76 1gqc s PRO 159 Cb -0.08 -2.51 -0.11 0.00 0.04 0.00 0.00 34.50 31.84 1gqc s PRO 159 CO 0.00 -0.61 1.56 -0.47 0.04 0.00 0.00 177.00 177.52 1gqc s TYR 160 N -1.42 2.86 -1.40 0.56 5.04 -1.24 -4.91 117.35 116.84 1gqc s TYR 160 Ca 0.62 0.81 -0.10 0.00 -2.44 0.00 0.00 57.07 55.96 1gqc s TYR 160 Cb -0.33 -3.99 0.08 0.00 0.35 0.00 0.00 41.96 38.06 1gqc s TYR 160 CO 0.41 -3.37 2.24 -0.35 -1.34 0.00 0.00 175.55 173.15 1gqc n PRO 161 N 2.48 3.52 0.14 4.97 -0.04 -1.26 -4.69 135.00 140.11 1gqc n PRO 161 Ca 0.09 -2.99 -0.14 0.00 -0.04 0.00 0.00 63.50 60.42 1gqc n PRO 161 Cb 0.38 -2.98 -0.07 0.00 -0.04 0.00 0.00 33.50 30.78 1gqc n PRO 161 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 1gqc h ARG 162 N 5.54 -0.28 -3.44 0.54 9.65 -2.02 -2.90 114.38 121.48 1gqc h ARG 162 Ca 0.58 0.02 -0.75 0.00 -1.10 0.00 0.00 59.98 58.73 1gqc h ARG 162 Cb 0.53 0.06 -0.32 0.00 -1.39 0.00 0.00 29.97 28.85 1gqc h ARG 162 CO 1.72 -0.18 0.15 -0.80 2.80 0.00 0.00 179.97 183.65 1gqc s ASN 163 N -4.94 6.59 0.51 -3.80 0.01 -1.26 -4.94 114.94 107.11 1gqc s ASN 163 Ca -0.14 -3.64 0.40 0.00 -0.71 0.00 0.00 52.86 48.76 1gqc s ASN 163 Cb 0.06 -2.05 1.57 0.00 0.41 0.00 0.00 41.25 41.24 1gqc s ASN 163 CO 0.65 -0.24 1.66 0.00 -1.51 0.00 0.00 177.10 177.66 1gqc h ALA 164 N 6.34 3.28 0.00 0.60 0.00 -1.88 -0.39 119.26 127.22 1gqc h ALA 164 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1gqc h ALA 164 Cb 0.85 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.78 1gqc h ALA 164 CO 0.92 -1.80 0.00 -0.85 0.00 0.00 0.00 179.25 177.52 1gqc n GLU 165 N -4.25 0.09 0.00 0.00 -0.00 -1.26 -2.92 120.64 112.30 1gqc n GLU 165 Ca 0.37 0.14 0.06 0.00 -0.00 0.00 0.00 57.16 57.73 1gqc n GLU 165 Cb 1.60 -1.50 0.00 0.00 -0.00 0.00 0.00 31.44 31.54 1gqc n GLU 165 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1gqc n LYS 166 N -1.43 1.86 -2.51 3.44 5.02 -0.16 -4.96 118.16 119.42 1gqc n LYS 166 Ca 0.06 -0.71 -0.42 0.00 -2.02 0.00 0.00 58.31 55.22 1gqc n LYS 166 Cb 0.21 -1.16 -0.03 0.00 -0.02 0.00 0.00 35.03 34.04 1gqc n LYS 166 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1gqc s ALA 167 N -1.52 3.47 -0.10 7.82 0.00 -1.15 -5.02 121.76 125.26 1gqc s ALA 167 Ca 0.10 0.58 0.04 0.00 0.00 0.00 0.00 51.96 52.68 1gqc s ALA 167 Cb 0.10 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.72 1gqc s ALA 167 CO 0.30 -0.71 -0.24 1.03 0.00 0.00 0.00 175.76 176.14 1gqc s ARG 168 N 2.11 3.02 -0.10 0.00 0.52 -1.26 -4.96 118.95 118.27 1gqc s ARG 168 Ca 0.54 -0.87 -0.03 0.00 -0.52 0.00 0.00 55.73 54.86 1gqc s ARG 168 Cb -0.24 -2.28 -0.03 0.00 0.52 0.00 0.00 34.95 32.92 1gqc s ARG 168 CO 0.21 0.18 0.01 0.71 0.02 0.00 0.00 175.30 176.43 1gqc s TYR 169 N 0.34 3.18 -0.16 -0.53 2.02 -1.25 -4.68 117.35 116.27 1gqc s TYR 169 Ca -0.19 0.16 0.01 0.00 -0.37 0.00 0.00 57.07 56.69 1gqc s TYR 169 Cb -0.18 -1.83 0.01 0.00 -0.40 0.00 0.00 41.96 39.56 1gqc s TYR 169 CO 0.09 0.42 -0.19 -0.51 -1.57 0.00 0.00 175.55 173.79 1gqc s LEU 170 N -0.69 2.25 0.08 -1.29 1.43 -1.26 -1.02 118.68 118.18 1gqc s LEU 170 Ca 0.11 -0.58 -0.19 0.00 -1.03 0.00 0.00 54.13 52.45 1gqc s LEU 170 Cb -0.12 -1.50 -0.07 0.00 0.03 0.00 0.00 46.19 44.54 1gqc s LEU 170 CO 0.02 0.05 0.56 -0.75 0.23 0.00 0.00 176.35 176.46 1gqc s LYS 171 N 1.01 4.17 -0.18 1.70 2.20 -0.14 -1.38 119.74 127.12 1gqc s LYS 171 Ca -0.02 0.70 -0.22 0.00 -0.36 0.00 0.00 55.97 56.07 1gqc s LYS 171 Cb -0.15 -3.20 -0.02 0.00 -1.51 0.00 0.00 37.83 32.95 1gqc s LYS 171 CO -0.05 0.62 0.69 -1.58 -0.36 0.00 0.00 175.35 174.67 1gqc s HIS 172 N -1.15 3.41 -0.34 4.03 5.65 0.23 -1.81 115.29 125.31 1gqc s HIS 172 Ca 0.30 1.04 -0.19 0.00 0.25 0.00 0.00 55.06 56.47 1gqc s HIS 172 Cb -0.19 -2.85 -0.00 0.00 -1.18 0.00 0.00 32.58 28.35 1gqc s HIS 172 CO 0.19 -0.17 0.55 0.08 -0.65 0.00 0.00 174.74 174.74 1gqc s VAL 173 N 1.86 4.99 0.00 0.89 1.01 0.03 -4.67 120.40 124.51 1gqc s VAL 173 Ca 0.32 0.47 -0.01 0.00 0.00 0.00 0.00 61.98 62.77 1gqc s VAL 173 Cb -0.16 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.22 1gqc s VAL 173 CO 0.11 -0.20 0.70 0.61 0.00 0.00 0.00 175.10 176.33 1gqc n GLY 174 N 4.71 1.10 3.50 4.51 0.00 -1.26 -3.78 105.19 113.98 1gqc n GLY 174 Ca -0.04 -0.11 -0.33 0.00 0.00 0.00 0.00 46.02 45.54 1gqc n GLY 174 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gqc s ILE 175 N 2.27 3.40 0.06 -0.61 1.01 -1.26 -4.41 121.20 121.66 1gqc s ILE 175 Ca 0.06 -0.58 0.05 0.00 0.00 0.00 0.00 60.65 60.18 1gqc s ILE 175 Cb 0.03 -2.39 -0.03 0.00 0.01 0.00 0.00 42.46 40.08 1gqc s ILE 175 CO 0.00 0.57 -0.13 -0.31 0.00 0.00 0.00 174.94 175.07 1gqc s TYR 176 N -0.46 1.15 -0.08 3.97 1.51 -0.83 -3.77 117.35 118.83 1gqc s TYR 176 Ca 0.06 -0.44 0.02 0.00 -1.01 0.00 0.00 57.07 55.70 1gqc s TYR 176 Cb -0.12 -0.66 0.01 0.00 -0.11 0.00 0.00 41.96 41.09 1gqc s TYR 176 CO 0.02 0.04 -0.13 0.00 -1.11 0.00 0.00 175.55 174.36 1gqc s ALA 177 N -1.19 1.44 0.05 3.71 0.00 -0.27 0.70 121.76 126.20 1gqc s ALA 177 Ca -0.02 -0.55 0.04 0.00 0.00 0.00 0.00 51.96 51.43 1gqc s ALA 177 Cb -0.09 -0.69 -0.02 0.00 0.00 0.00 0.00 23.12 22.31 1gqc s ALA 177 CO 0.02 0.02 -0.13 0.71 0.00 0.00 0.00 175.76 176.38 1gqc s TYR 178 N 0.83 1.11 0.69 0.00 4.12 0.11 -0.85 117.35 123.36 1gqc s TYR 178 Ca -0.11 -0.39 -0.14 0.00 0.02 0.00 0.00 57.07 56.45 1gqc s TYR 178 Cb -0.15 -0.65 0.02 0.00 -1.52 0.00 0.00 41.96 39.66 1gqc s TYR 178 CO 0.01 0.02 1.11 0.50 0.02 0.00 0.00 175.55 177.22 1gqc s ARG 179 N -1.34 2.63 0.23 -0.62 6.06 -0.54 -1.00 118.95 124.37 1gqc s ARG 179 Ca -0.01 1.35 -0.08 0.00 -2.50 0.00 0.00 55.73 54.49 1gqc s ARG 179 Cb -0.09 -1.93 0.26 0.00 0.06 0.00 0.00 34.95 33.25 1gqc s ARG 179 CO 0.01 -1.38 1.86 -0.09 -2.50 0.00 0.00 175.30 173.20 1gqc h ARG 180 N -0.29 0.92 0.00 5.12 2.43 -1.07 -2.44 114.38 119.05 1gqc h ARG 180 Ca -0.46 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 58.64 1gqc h ARG 180 Cb 1.24 -0.21 -0.00 0.00 -0.42 0.00 0.00 29.97 30.59 1gqc h ARG 180 CO 0.53 0.61 -0.07 0.38 -1.51 0.00 0.00 179.97 179.91 1gqc h ASP 181 N 0.94 0.00 -0.04 -3.80 2.03 -1.92 -2.21 116.42 111.43 1gqc h ASP 181 Ca 0.33 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.63 1gqc h ASP 181 Cb 0.07 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.57 1gqc h ASP 181 CO -0.13 0.07 0.03 0.58 -1.03 0.00 0.00 179.24 178.75 1gqc h VAL 182 N 0.00 1.03 -0.45 4.15 2.07 -1.78 -3.12 116.25 118.15 1gqc h VAL 182 Ca -0.00 -0.09 -0.12 0.00 0.82 0.00 0.00 66.70 67.32 1gqc h VAL 182 Cb 0.15 1.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.92 1gqc h VAL 182 CO 0.01 0.03 -0.19 -0.07 0.02 0.00 0.00 177.57 177.37 1gqc h LEU 183 N 0.03 0.90 -2.02 2.57 3.38 -1.52 -2.57 115.31 116.08 1gqc h LEU 183 Ca 0.02 -0.32 0.08 0.00 0.09 0.00 0.00 57.88 57.75 1gqc h LEU 183 Cb 0.02 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1gqc h LEU 183 CO -0.00 1.06 0.38 1.56 0.09 0.00 0.00 178.44 181.53 1gqc h GLN 184 N 0.78 0.00 -0.24 1.13 4.20 -1.35 -2.35 115.11 117.27 1gqc h GLN 184 Ca 0.11 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.60 1gqc h GLN 184 Cb 0.73 0.00 -0.37 0.00 0.30 0.00 0.00 27.48 28.14 1gqc h GLN 184 CO 0.06 0.00 -1.02 0.27 -0.67 0.00 0.00 178.83 177.47 1gqc n ASN 185 N -3.50 1.58 0.10 1.46 2.04 -1.16 -4.81 115.26 110.96 1gqc n ASN 185 Ca 0.04 -2.27 -0.15 0.00 -0.44 0.00 0.00 54.58 51.76 1gqc n ASN 185 Cb 0.52 -0.40 -0.14 0.00 -2.53 0.00 0.00 39.78 37.23 1gqc n ASN 185 CO 0.00 0.00 0.00 0.22 -0.44 0.00 0.00 177.26 177.04 1gqc h TYR 186 N 1.78 0.47 -0.00 -2.53 3.20 -1.00 -3.14 116.97 115.74 1gqc h TYR 186 Ca -0.13 -0.34 0.00 0.00 3.14 0.00 0.00 58.73 61.40 1gqc h TYR 186 Cb 1.54 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.79 1gqc h TYR 186 CO 0.41 1.27 -0.00 0.43 -1.64 0.00 0.00 178.16 178.63 1gqc n SER 187 N -3.52 0.32 -0.64 -2.11 7.64 -1.26 -3.03 113.62 111.02 1gqc n SER 187 Ca -0.08 -1.06 0.08 0.00 1.01 0.00 0.00 58.87 58.81 1gqc n SER 187 Cb 1.02 -0.01 0.20 0.00 -1.01 0.00 0.00 64.21 64.41 1gqc n SER 187 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1gqc n GLN 188 N -0.77 2.66 -3.15 1.43 3.00 -1.19 -5.00 117.38 114.36 1gqc n GLN 188 Ca 0.22 -2.53 -0.38 0.00 -0.01 0.00 0.00 57.00 54.31 1gqc n GLN 188 Cb 0.17 -1.60 -0.06 0.00 0.00 0.00 0.00 30.24 28.75 1gqc n GLN 188 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1gqc s LEU 189 N -2.29 4.47 0.72 1.08 1.43 -1.17 -5.03 118.68 117.89 1gqc s LEU 189 Ca 0.33 1.40 -0.16 0.00 -1.03 0.00 0.00 54.13 54.67 1gqc s LEU 189 Cb 0.26 -3.26 -0.01 0.00 0.03 0.00 0.00 46.19 43.21 1gqc s LEU 189 CO 0.09 0.17 0.81 -0.81 0.23 0.00 0.00 176.35 176.84 1gqc n PRO 190 N 1.28 0.42 -1.75 1.29 -0.04 -1.26 -4.88 135.00 130.06 1gqc n PRO 190 Ca -0.06 0.19 -0.42 0.00 -0.04 0.00 0.00 63.50 63.17 1gqc n PRO 190 Cb 0.50 -2.08 -0.01 0.00 -0.04 0.00 0.00 33.50 31.87 1gqc n PRO 190 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1gqc n GLU 191 N -1.49 2.70 -3.59 0.54 2.13 -1.26 -4.97 120.64 114.70 1gqc n GLU 191 Ca 0.12 0.96 -0.40 0.00 0.66 0.00 0.00 57.16 58.50 1gqc n GLU 191 Cb 0.50 -2.74 -0.11 0.00 0.27 0.00 0.00 31.44 29.36 1gqc n GLU 191 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1gqc s SER 192 N 0.44 5.80 0.20 4.31 0.15 -1.26 -4.96 113.70 118.38 1gqc s SER 192 Ca 0.63 -0.55 -0.11 0.00 0.70 0.00 0.00 55.95 56.62 1gqc s SER 192 Cb -0.49 -2.07 0.17 0.00 -1.71 0.00 0.00 66.02 61.92 1gqc s SER 192 CO 0.50 -0.24 1.83 -0.03 1.20 0.00 0.00 173.24 176.50 1gqc h MET 193 N 8.43 0.74 -0.90 5.44 4.05 -1.94 -0.85 114.93 129.89 1gqc h MET 193 Ca -0.31 -0.04 0.03 0.00 -0.28 0.00 0.00 59.70 59.09 1gqc h MET 193 Cb 1.14 -0.17 -0.05 0.00 -0.80 0.00 0.00 31.60 31.73 1gqc h MET 193 CO 0.63 0.49 0.59 -1.35 0.23 0.00 0.00 176.91 177.50 1gqc h PRO 194 N 0.76 1.13 0.09 0.39 0.11 -1.92 0.05 132.00 132.61 1gqc h PRO 194 Ca 0.26 -0.07 0.01 0.00 0.11 0.00 0.00 66.00 66.31 1gqc h PRO 194 Cb 0.04 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 30.88 1gqc h PRO 194 CO -0.11 0.75 -0.13 1.49 -0.21 0.00 0.00 178.00 179.78 1gqc h GLU 195 N 1.16 -0.26 -0.59 1.05 4.81 -1.59 0.21 114.58 119.38 1gqc h GLU 195 Ca 0.35 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.58 1gqc h GLU 195 Cb -0.05 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.36 1gqc h GLU 195 CO -0.10 -0.17 0.31 1.96 -0.73 0.00 0.00 179.01 180.28 1gqc h GLN 196 N -0.27 0.81 0.12 1.92 1.08 -0.68 1.20 115.11 119.29 1gqc h GLN 196 Ca 0.02 -0.09 -0.16 0.00 -1.45 0.00 0.00 58.65 56.97 1gqc h GLN 196 Cb 0.28 -0.16 0.02 0.00 -0.05 0.00 0.00 27.48 27.56 1gqc h GLN 196 CO -0.06 0.61 -0.72 0.00 -0.95 0.00 0.00 178.83 177.70 1gqc h ALA 197 N 1.53 -0.07 0.00 3.87 0.00 -0.75 -3.36 119.26 120.48 1gqc h ALA 197 Ca 0.21 -0.68 -0.11 0.00 0.00 0.00 0.00 54.91 54.32 1gqc h ALA 197 Cb 0.04 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1gqc h ALA 197 CO -0.03 0.34 -0.60 0.93 0.00 0.00 0.00 179.25 179.89 1gqc h GLU 198 N -0.46 0.00 -4.79 0.00 4.39 -0.52 -3.48 114.58 109.72 1gqc h GLU 198 Ca -0.13 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.36 1gqc h GLU 198 Cb 1.56 0.00 0.14 0.00 -0.10 0.00 0.00 28.75 30.35 1gqc h GLU 198 CO 0.13 0.49 -0.62 0.45 -1.16 0.00 0.00 179.01 178.30 1gqc n SER 199 N -3.19 -4.10 -3.72 1.42 2.88 0.41 -4.92 113.62 102.39 1gqc n SER 199 Ca 0.01 -0.50 -0.29 0.00 -1.33 0.00 0.00 58.87 56.76 1gqc n SER 199 Cb 0.75 -4.00 -0.16 0.00 -0.75 0.00 0.00 64.21 60.05 1gqc n SER 199 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1gqc s LEU 200 N -4.97 1.51 0.23 2.46 1.43 -1.12 -5.04 118.68 113.19 1gqc s LEU 200 Ca 0.21 -1.14 -0.06 0.00 -1.03 0.00 0.00 54.13 52.11 1gqc s LEU 200 Cb -0.03 -0.68 0.39 0.00 0.03 0.00 0.00 46.19 45.90 1gqc s LEU 200 CO 0.55 -0.35 1.77 1.05 0.23 0.00 0.00 176.35 179.60 1gqc h GLU 201 N 8.20 0.57 0.00 1.70 4.11 -1.95 -1.83 114.58 125.37 1gqc h GLU 201 Ca -0.16 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.24 1gqc h GLU 201 Cb 1.07 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1gqc h GLU 201 CO 0.39 0.38 0.22 -0.56 0.07 0.00 0.00 179.01 179.50 1gqc h GLN 202 N 0.59 0.00 0.00 1.06 -0.00 -1.99 0.07 115.11 114.84 1gqc h GLN 202 Ca 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.03 1gqc h GLN 202 Cb 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.93 1gqc h GLN 202 CO -0.30 0.00 0.00 1.28 -0.00 0.00 0.00 178.83 179.81 1gqc n LEU 203 N -2.63 0.57 0.15 0.06 4.77 -0.69 -1.85 117.00 117.38 1gqc n LEU 203 Ca -0.02 0.62 0.00 0.00 -0.03 0.00 0.00 56.01 56.58 1gqc n LEU 203 Cb 0.26 -0.51 0.20 0.00 -2.33 0.00 0.00 43.42 41.03 1gqc n LEU 203 CO 0.12 -0.41 0.53 -0.09 -1.33 0.00 0.00 177.39 176.21 1gqc h ARG 204 N 0.00 0.00 -0.13 3.23 2.43 -1.16 -1.99 114.38 116.77 1gqc h ARG 204 Ca 0.00 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.02 1gqc h ARG 204 Cb 0.43 0.00 0.01 0.00 -0.42 0.00 0.00 29.97 29.99 1gqc h ARG 204 CO 0.00 0.57 -0.52 -0.07 -1.51 0.00 0.00 179.97 178.44 1gqc h LEU 205 N 0.00 0.67 -0.45 3.80 3.38 -1.54 -3.04 115.31 118.14 1gqc h LEU 205 Ca -0.01 -0.62 -0.05 0.00 0.09 0.00 0.00 57.88 57.29 1gqc h LEU 205 Cb 1.08 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 1gqc h LEU 205 CO 0.07 1.19 0.10 0.24 0.09 0.00 0.00 178.44 180.13 1gqc h MET 206 N 0.20 0.72 -0.31 1.13 2.86 -1.49 -0.82 114.93 117.23 1gqc h MET 206 Ca -0.03 -0.18 0.09 0.00 -2.06 0.00 0.00 59.70 57.52 1gqc h MET 206 Cb 1.15 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.71 1gqc h MET 206 CO 0.11 0.73 0.27 -0.97 1.06 0.00 0.00 176.91 178.10 1gqc h ASN 207 N 0.59 0.00 -0.59 1.22 -1.24 -1.40 0.03 115.58 114.19 1gqc h ASN 207 Ca 0.14 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.15 1gqc h ASN 207 Cb 0.34 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.39 1gqc h ASN 207 CO 0.00 0.00 0.00 0.00 -1.29 0.00 0.00 177.43 176.14 1gqc n ALA 208 N -2.47 2.85 -1.02 1.57 0.00 -0.69 -4.93 120.51 115.82 1gqc n ALA 208 Ca 0.04 -1.30 -0.01 0.00 0.00 0.00 0.00 53.44 52.17 1gqc n ALA 208 Cb 0.43 -1.00 -0.00 0.00 0.00 0.00 0.00 19.45 18.87 1gqc n ALA 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gqc n GLY 209 N 1.18 0.37 3.60 0.00 0.00 -0.00 -4.98 105.19 105.36 1gqc n GLY 209 Ca 0.22 -0.05 -0.43 0.00 0.00 0.00 0.00 46.02 45.77 1gqc n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gqc s ILE 210 N -1.68 4.60 0.32 -0.61 1.01 -0.40 -5.01 121.20 119.43 1gqc s ILE 210 Ca 0.00 1.15 -0.29 0.00 0.00 0.00 0.00 60.65 61.52 1gqc s ILE 210 Cb 0.00 -4.32 -0.10 0.00 0.01 0.00 0.00 42.46 38.04 1gqc s ILE 210 CO 0.00 -0.53 1.38 0.21 0.00 0.00 0.00 174.94 176.00 1gqc s ASN 211 N 1.88 6.65 -0.20 3.58 2.47 -1.26 -4.23 114.94 123.84 1gqc s ASN 211 Ca 0.37 2.76 0.01 0.00 0.42 0.00 0.00 52.86 56.43 1gqc s ASN 211 Cb -0.12 -2.65 0.04 0.00 -1.45 0.00 0.00 41.25 37.07 1gqc s ASN 211 CO 0.19 -0.65 -0.10 -0.63 -3.72 0.00 0.00 177.10 172.18 1gqc s ILE 212 N -0.86 1.64 -0.06 -5.21 1.01 -1.26 -3.02 121.20 113.44 1gqc s ILE 212 Ca 0.52 -1.00 -0.14 0.00 0.00 0.00 0.00 60.65 60.03 1gqc s ILE 212 Cb -0.42 -1.71 -0.05 0.00 0.01 0.00 0.00 42.46 40.29 1gqc s ILE 212 CO 0.53 0.18 0.36 -0.60 0.00 0.00 0.00 174.94 175.40 1gqc s ARG 213 N 1.40 3.98 0.22 2.79 3.52 -0.51 -1.14 118.95 129.20 1gqc s ARG 213 Ca -0.01 0.28 -0.06 0.00 -0.13 0.00 0.00 55.73 55.81 1gqc s ARG 213 Cb -0.16 -3.28 -0.06 0.00 -1.56 0.00 0.00 34.95 29.88 1gqc s ARG 213 CO -0.08 0.55 0.49 0.99 -0.81 0.00 0.00 175.30 176.44 1gqc s THR 214 N -0.55 5.04 -0.05 4.11 2.01 -0.13 -1.34 115.64 124.72 1gqc s THR 214 Ca 0.21 0.19 -0.02 0.00 0.31 0.00 0.00 61.69 62.38 1gqc s THR 214 Cb -0.15 -3.66 0.03 0.00 0.01 0.00 0.00 72.50 68.74 1gqc s THR 214 CO 0.10 -0.11 0.08 -0.36 -0.69 0.00 0.00 174.62 173.64 1gqc s PHE 215 N -1.85 0.01 0.08 4.92 0.08 -0.96 -4.83 117.98 115.42 1gqc s PHE 215 Ca 0.44 0.33 -0.29 0.00 0.12 0.00 0.00 56.93 57.53 1gqc s PHE 215 Cb -0.11 -0.43 -0.05 0.00 -0.57 0.00 0.00 43.02 41.85 1gqc s PHE 215 CO 0.25 -0.22 0.94 -2.00 -0.10 0.00 0.00 175.22 174.09 1gqc s GLU 216 N 2.20 4.64 0.31 0.44 2.12 -1.26 -1.83 118.70 125.33 1gqc s GLU 216 Ca 0.05 1.39 0.03 0.00 0.36 0.00 0.00 54.97 56.80 1gqc s GLU 216 Cb -0.12 -3.39 -0.06 0.00 0.26 0.00 0.00 34.13 30.81 1gqc s GLU 216 CO -0.04 0.16 0.07 0.14 -0.54 0.00 0.00 175.26 175.05 1gqc s VAL 217 N 0.22 1.06 0.86 3.70 -7.23 -0.27 -4.94 120.40 113.80 1gqc s VAL 217 Ca 0.47 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.53 1gqc s VAL 217 Cb -0.22 -2.76 0.11 0.00 0.56 0.00 0.00 36.38 34.07 1gqc s VAL 217 CO 0.29 0.00 1.11 0.00 -0.31 0.00 0.00 175.10 176.18 1gqc s ALA 218 N -3.38 1.71 0.15 1.32 0.00 -1.26 -4.35 121.76 115.95 1gqc s ALA 218 Ca 0.37 0.34 -0.34 0.00 0.00 0.00 0.00 51.96 52.32 1gqc s ALA 218 Cb 0.08 -3.33 -0.15 0.00 0.00 0.00 0.00 23.12 19.72 1gqc s ALA 218 CO 0.15 -2.34 1.37 0.00 0.00 0.00 0.00 175.76 174.94 1gqc n ALA 219 N -3.92 -0.02 -2.22 0.00 0.00 -1.26 -4.88 120.51 108.21 1gqc n ALA 219 Ca 0.10 0.47 -0.20 0.00 0.00 0.00 0.00 53.44 53.80 1gqc n ALA 219 Cb 0.53 -2.16 0.01 0.00 0.00 0.00 0.00 19.45 17.83 1gqc n ALA 219 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1gqc s THR 220 N 0.34 3.50 0.49 0.00 -4.23 -1.26 -5.09 115.64 109.39 1gqc s THR 220 Ca 0.78 -0.75 -0.21 0.00 -1.18 0.00 0.00 61.69 60.33 1gqc s THR 220 Cb -0.81 -3.26 -0.08 0.00 1.34 0.00 0.00 72.50 69.69 1gqc s THR 220 CO 0.46 -0.15 1.07 -0.83 -0.54 0.00 0.00 174.62 174.64 1gqc s GLY 221 N -4.28 2.58 1.06 3.99 0.00 -1.26 -5.02 107.32 104.38 1gqc s GLY 221 Ca 0.51 0.69 -0.12 0.00 0.00 0.00 0.00 44.72 45.80 1gqc s GLY 221 CO 0.36 1.04 1.07 2.56 0.00 0.00 0.00 173.10 178.12 1gqc s PRO 222 N -3.15 -0.11 0.30 2.90 0.04 -1.26 -4.87 135.00 128.85 1gqc s PRO 222 Ca 0.68 0.99 0.08 0.00 0.04 0.00 0.00 61.00 62.79 1gqc s PRO 222 Cb -0.20 -1.64 -0.04 0.00 0.04 0.00 0.00 34.50 32.67 1gqc s PRO 222 CO 0.23 -3.23 0.18 0.20 0.04 0.00 0.00 177.00 174.43 1gqc s GLY 223 N -2.72 1.69 -1.01 0.56 0.00 -1.26 -4.70 107.32 99.87 1gqc s GLY 223 Ca 0.67 -1.63 -0.15 0.00 0.00 0.00 0.00 44.72 43.61 1gqc s GLY 223 CO 0.62 -1.61 1.13 0.14 0.00 0.00 0.00 173.10 173.38 1gqc s VAL 224 N -2.29 5.17 0.00 1.40 1.01 -1.06 -4.46 120.40 120.17 1gqc s VAL 224 Ca 0.36 -2.30 0.00 0.00 0.00 0.00 0.00 61.98 60.04 1gqc s VAL 224 Cb -0.06 -4.73 0.00 0.00 0.00 0.00 0.00 36.38 31.60 1gqc s VAL 224 CO 0.24 -1.40 0.00 0.47 0.00 0.00 0.00 175.10 174.41 1gqc n ASP 225 N 5.24 4.03 -4.30 3.32 8.00 -1.26 -4.94 116.55 126.65 1gqc n ASP 225 Ca 0.25 0.00 -0.30 0.00 0.71 0.00 0.00 54.79 55.46 1gqc n ASP 225 Cb 0.46 0.33 -0.15 0.00 -0.02 0.00 0.00 41.12 41.74 1gqc n ASP 225 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1gqc s THR 226 N -1.84 1.97 0.60 -3.53 -1.32 -1.26 -4.53 115.64 105.73 1gqc s THR 226 Ca 0.00 -1.14 0.29 0.00 -1.21 0.00 0.00 61.69 59.62 1gqc s THR 226 Cb 0.00 -1.65 0.37 0.00 -1.51 0.00 0.00 72.50 69.70 1gqc s THR 226 CO 0.00 0.48 1.88 -0.65 -2.21 0.00 0.00 174.62 174.13 1gqc h PRO 227 N 5.31 0.00 0.20 7.08 0.11 -1.96 0.26 132.00 143.00 1gqc h PRO 227 Ca -0.43 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.67 1gqc h PRO 227 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1gqc h PRO 227 CO 0.46 0.00 -0.10 0.00 -0.21 0.00 0.00 178.00 178.15 1gqc h ALA 228 N 1.42 -0.27 -0.03 -0.75 0.00 -1.99 -3.27 119.26 114.37 1gqc h ALA 228 Ca 0.19 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 1gqc h ALA 228 Cb 1.14 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 1gqc h ALA 228 CO -0.00 -0.41 -0.59 0.00 0.00 0.00 0.00 179.25 178.25 1gqc h LEU 230 N 0.07 0.00 0.22 0.00 5.85 -0.64 -0.13 115.31 120.68 1gqc h LEU 230 Ca -0.01 0.00 -0.32 0.00 0.84 0.00 0.00 57.88 58.39 1gqc h LEU 230 Cb 1.06 0.00 0.03 0.00 0.37 0.00 0.00 40.66 42.11 1gqc h LEU 230 CO 0.08 0.00 -1.46 -0.33 -0.34 0.00 0.00 178.44 176.39 1gqc h GLU 231 N 0.00 0.46 -0.71 1.25 4.39 -1.59 -2.73 114.58 115.65 1gqc h GLU 231 Ca 0.25 -0.79 -0.01 0.00 0.34 0.00 0.00 59.36 59.15 1gqc h GLU 231 Cb 1.07 0.29 -0.03 0.00 -0.10 0.00 0.00 28.75 29.98 1gqc h GLU 231 CO -0.00 1.37 0.39 -0.22 -1.16 0.00 0.00 179.01 179.39 1gqc h LYS 232 N 0.13 0.98 -0.45 2.33 3.64 -1.23 -1.33 116.57 120.65 1gqc h LYS 232 Ca -0.24 -0.11 -0.11 0.00 -1.27 0.00 0.00 60.65 58.92 1gqc h LYS 232 Cb 2.12 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 33.73 1gqc h LYS 232 CO 0.25 0.72 -0.17 0.28 -2.27 0.00 0.00 179.45 178.26 1gqc h VAL 233 N 0.99 1.27 -0.33 2.00 2.07 -1.10 -1.87 116.25 119.28 1gqc h VAL 233 Ca 0.25 -1.29 -0.16 0.00 0.82 0.00 0.00 66.70 66.33 1gqc h VAL 233 Cb 0.02 1.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1gqc h VAL 233 CO -0.04 0.44 -0.40 0.03 0.02 0.00 0.00 177.57 177.62 1gqc h ARG 234 N 0.76 0.85 0.20 1.57 3.08 -1.12 0.59 114.38 120.32 1gqc h ARG 234 Ca 0.11 -0.48 -0.01 0.00 0.07 0.00 0.00 59.98 59.67 1gqc h ARG 234 Cb 0.70 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.78 1gqc h ARG 234 CO 0.05 1.12 -0.10 0.00 -1.07 0.00 0.00 179.97 179.97 1gqc h ALA 235 N 0.72 -0.27 0.44 0.04 0.00 -1.17 0.15 119.26 119.16 1gqc h ALA 235 Ca 0.04 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1gqc h ALA 235 Cb 1.00 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1gqc h ALA 235 CO 0.10 -0.65 -0.21 -0.07 0.00 0.00 0.00 179.25 178.42 1gqc h LEU 236 N -0.28 -0.50 -0.82 0.00 3.38 -1.35 0.17 115.31 115.91 1gqc h LEU 236 Ca -0.03 -0.05 0.18 0.00 0.09 0.00 0.00 57.88 58.08 1gqc h LEU 236 Cb 0.21 0.13 -0.11 0.00 0.09 0.00 0.00 40.66 40.98 1gqc h LEU 236 CO 0.05 -0.26 0.33 -0.03 0.09 0.00 0.00 178.44 178.61 1gqc h MET 237 N -0.71 0.39 -0.12 1.13 4.05 -0.80 0.28 114.93 119.15 1gqc h MET 237 Ca -0.06 -0.02 -0.18 0.00 -0.28 0.00 0.00 59.70 59.16 1gqc h MET 237 Cb 0.51 -0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 31.22 1gqc h MET 237 CO 0.10 0.26 -0.66 0.00 0.23 0.00 0.00 176.91 176.84 1gqc h ALA 238 N 1.63 0.63 -0.26 0.39 0.00 -0.80 -2.90 119.26 117.95 1gqc h ALA 238 Ca 0.48 -0.57 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1gqc h ALA 238 Cb 0.83 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1gqc h ALA 238 CO -0.48 0.73 -0.02 0.37 0.00 0.00 0.00 179.25 179.85 1gqc h GLN 239 N 0.34 0.40 -0.52 0.00 -0.00 0.20 -2.43 115.11 113.09 1gqc h GLN 239 Ca -0.02 -0.08 -0.03 0.00 -0.00 0.00 0.00 58.65 58.53 1gqc h GLN 239 Cb 1.22 -0.06 -0.02 0.00 0.00 0.00 0.00 27.48 28.62 1gqc h GLN 239 CO 0.12 0.44 0.21 0.93 0.00 0.00 0.00 178.83 180.53 1gqc h GLU 240 N 0.38 0.77 -0.80 1.69 5.08 -0.39 -2.29 114.58 119.03 1gqc h GLU 240 Ca 0.09 -0.14 0.13 0.00 -1.00 0.00 0.00 59.36 58.44 1gqc h GLU 240 Cb 0.29 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.35 1gqc h GLU 240 CO 0.01 0.67 0.52 -0.07 -1.00 0.00 0.00 179.01 179.15 1gqc h LEU 241 N 0.70 0.54 0.00 1.33 3.38 -1.33 -3.52 115.31 116.41 1gqc h LEU 241 Ca 0.17 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.17 1gqc h LEU 241 Cb 0.19 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1gqc h LEU 241 CO -0.02 0.29 0.00 0.00 0.09 0.00 0.00 178.44 178.81