#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gqh n SER 3 N 0.00 1.51 -4.77 1.09 2.88 -1.26 -4.90 113.62 108.17 1gqh n SER 3 Ca 0.00 -1.34 -0.39 0.00 -1.33 0.00 0.00 58.87 55.81 1gqh n SER 3 Cb 0.00 0.07 -0.02 0.00 -0.75 0.00 0.00 64.21 63.51 1gqh n SER 3 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 1gqh s SER 4 N -2.20 6.60 0.27 -3.46 0.01 -1.26 -4.95 113.70 108.72 1gqh s SER 4 Ca 0.31 2.37 -0.01 0.00 1.31 0.00 0.00 55.95 59.93 1gqh s SER 4 Cb 0.20 -2.62 0.61 0.00 0.21 0.00 0.00 66.02 64.42 1gqh s SER 4 CO 0.41 -0.62 1.66 0.25 0.41 0.00 0.00 173.24 175.35 1gqh h LEU 5 N 2.78 -0.00 -9.35 2.44 5.85 -1.90 -3.40 115.31 111.72 1gqh h LEU 5 Ca -0.49 0.18 -0.56 0.00 0.84 0.00 0.00 57.88 57.86 1gqh h LEU 5 Cb 1.23 0.24 -0.05 0.00 0.37 0.00 0.00 40.66 42.46 1gqh h LEU 5 CO 0.63 -0.11 0.21 -0.63 -0.34 0.00 0.00 178.44 178.20 1gqh s ILE 6 N -5.99 4.97 0.15 4.05 1.01 -1.26 -0.27 121.20 123.87 1gqh s ILE 6 Ca -0.12 1.65 0.06 0.00 0.00 0.00 0.00 60.65 62.24 1gqh s ILE 6 Cb 0.24 -4.14 -0.04 0.00 0.01 0.00 0.00 42.46 38.53 1gqh s ILE 6 CO 0.77 0.20 -0.13 0.68 0.00 0.00 0.00 174.94 176.45 1gqh s VAL 7 N 1.03 1.37 -0.07 2.92 -7.23 0.17 -4.88 120.40 113.72 1gqh s VAL 7 Ca 0.42 -1.94 0.22 0.00 -1.81 0.00 0.00 61.98 58.87 1gqh s VAL 7 Cb -0.19 -1.75 -0.29 0.00 0.56 0.00 0.00 36.38 34.72 1gqh s VAL 7 CO 0.20 -0.56 0.53 -0.62 -0.31 0.00 0.00 175.10 174.34 1gqh n GLU 8 N 0.09 0.65 -4.37 4.82 -0.58 -1.26 -4.35 120.64 115.65 1gqh n GLU 8 Ca -0.12 -0.14 -0.19 0.00 -0.42 0.00 0.00 57.16 56.29 1gqh n GLU 8 Cb 0.59 -1.56 -0.14 0.00 -0.57 0.00 0.00 31.44 29.76 1gqh n GLU 8 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1gqh s ASP 9 N -4.72 1.46 0.26 1.62 1.01 -1.26 -0.71 116.67 114.33 1gqh s ASP 9 Ca -0.07 -0.37 -0.30 0.00 0.71 0.00 0.00 52.55 52.51 1gqh s ASP 9 Cb 0.13 -0.11 -0.13 0.00 1.01 0.00 0.00 42.92 43.82 1gqh s ASP 9 CO 0.89 0.05 1.39 0.00 0.21 0.00 0.00 175.17 177.71 1gqh n ALA 10 N 2.19 1.24 -0.60 5.23 0.00 -1.26 -4.92 120.51 122.39 1gqh n ALA 10 Ca -0.17 0.40 -0.30 0.00 0.00 0.00 0.00 53.44 53.37 1gqh n ALA 10 Cb 0.55 -2.28 0.20 0.00 0.00 0.00 0.00 19.45 17.92 1gqh n ALA 10 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1gqh n PRO 11 N 1.75 -1.53 -0.26 0.00 -0.02 -1.26 -4.91 135.00 128.76 1gqh n PRO 11 Ca 0.10 -0.41 0.10 0.00 -2.02 0.00 0.00 63.50 61.27 1gqh n PRO 11 Cb 0.33 -2.10 0.27 0.00 -0.02 0.00 0.00 33.50 31.98 1gqh n PRO 11 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1gqh n ASP 12 N -3.73 3.11 -3.74 2.55 5.68 -1.26 -3.71 116.55 115.45 1gqh n ASP 12 Ca 0.05 -1.97 -0.10 0.00 -0.50 0.00 0.00 54.79 52.27 1gqh n ASP 12 Cb 0.55 -0.34 -0.05 0.00 -1.14 0.00 0.00 41.12 40.14 1gqh n ASP 12 CO 0.00 0.00 0.00 -1.38 -1.33 0.00 0.00 177.20 174.49 1gqh s HIS 13 N -1.31 0.54 -0.12 2.11 -3.43 -1.26 -4.70 115.29 107.12 1gqh s HIS 13 Ca 0.39 -0.89 -0.30 0.00 -0.80 0.00 0.00 55.06 53.47 1gqh s HIS 13 Cb 0.21 0.15 -0.01 0.00 -1.43 0.00 0.00 32.58 31.50 1gqh s HIS 13 CO 0.28 -1.06 1.09 0.08 -2.00 0.00 0.00 174.74 173.13 1gqh s VAL 14 N -3.66 4.56 -0.04 -5.38 1.01 -1.25 -4.46 120.40 111.19 1gqh s VAL 14 Ca 0.24 1.86 -0.30 0.00 0.00 0.00 0.00 61.98 63.79 1gqh s VAL 14 Cb -0.01 -4.20 0.11 0.00 0.00 0.00 0.00 36.38 32.29 1gqh s VAL 14 CO 0.12 -0.05 0.94 0.00 0.00 0.00 0.00 175.10 176.11 1gqh s ARG 15 N 2.45 0.74 0.42 2.72 1.70 -1.26 -5.07 118.95 120.64 1gqh s ARG 15 Ca 0.50 -0.24 -0.25 0.00 -0.47 0.00 0.00 55.73 55.27 1gqh s ARG 15 Cb -0.20 0.34 -0.08 0.00 -0.57 0.00 0.00 34.95 34.44 1gqh s ARG 15 CO 0.16 -0.32 1.29 -2.14 -1.08 0.00 0.00 175.30 173.22 1gqh s PRO 16 N -2.86 3.87 0.02 3.89 0.02 -1.26 -4.66 135.00 134.02 1gqh s PRO 16 Ca 0.05 2.11 -0.28 0.00 0.02 0.00 0.00 61.00 62.89 1gqh s PRO 16 Cb -0.01 -2.67 0.10 0.00 0.02 0.00 0.00 34.50 31.94 1gqh s PRO 16 CO -0.08 -0.56 0.96 1.52 -0.33 0.00 0.00 177.00 178.52 1gqh s TYR 17 N -1.30 -0.24 -0.02 6.54 1.13 -1.05 -4.83 117.35 117.58 1gqh s TYR 17 Ca 0.59 0.07 0.06 0.00 -1.41 0.00 0.00 57.07 56.38 1gqh s TYR 17 Cb -0.37 0.57 -0.01 0.00 -1.10 0.00 0.00 41.96 41.04 1gqh s TYR 17 CO 0.47 -0.58 -0.20 0.08 -2.51 0.00 0.00 175.55 172.81 1gqh s VAL 18 N -3.06 1.58 -0.07 -3.49 1.01 0.63 -0.65 120.40 116.34 1gqh s VAL 18 Ca 0.08 -0.85 -0.00 0.00 0.00 0.00 0.00 61.98 61.21 1gqh s VAL 18 Cb -0.01 -1.31 0.02 0.00 0.00 0.00 0.00 36.38 35.08 1gqh s VAL 18 CO -0.05 0.45 -0.04 -0.51 0.00 0.00 0.00 175.10 174.95 1gqh s ILE 19 N -0.41 0.64 0.64 2.22 2.07 -0.67 -0.65 121.20 125.04 1gqh s ILE 19 Ca 0.06 -0.09 -0.16 0.00 -1.41 0.00 0.00 60.65 59.05 1gqh s ILE 19 Cb -0.08 -0.70 -0.01 0.00 0.13 0.00 0.00 42.46 41.79 1gqh s ILE 19 CO -0.00 0.28 1.12 -0.13 -1.91 0.00 0.00 174.94 174.30 1gqh s ARG 20 N 1.51 2.87 0.19 3.50 1.81 -1.26 -1.30 118.95 126.27 1gqh s ARG 20 Ca -0.01 1.45 -0.33 0.00 -1.72 0.00 0.00 55.73 55.13 1gqh s ARG 20 Cb -0.13 -1.95 -0.14 0.00 -0.45 0.00 0.00 34.95 32.27 1gqh s ARG 20 CO -0.04 -1.20 1.47 1.58 -0.68 0.00 0.00 175.30 176.42 1gqh n HIS 21 N -2.22 2.14 -1.10 -0.53 -0.00 -1.25 -1.71 115.22 110.55 1gqh n HIS 21 Ca 0.11 0.39 -0.03 0.00 0.46 0.00 0.00 57.72 58.64 1gqh n HIS 21 Cb 0.52 -2.48 -0.01 0.00 -0.12 0.00 0.00 29.99 27.89 1gqh n HIS 21 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1gqh n TYR 22 N 2.56 0.00 -0.76 1.57 4.01 -1.26 -4.98 117.16 118.29 1gqh n TYR 22 Ca 0.14 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.57 1gqh n TYR 22 Cb 0.29 -1.36 0.15 0.00 -0.31 0.00 0.00 39.34 38.12 1gqh n TYR 22 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1gqh n SER 23 N -0.27 0.05 -0.11 7.72 7.64 -0.69 -4.82 113.62 123.13 1gqh n SER 23 Ca -0.03 0.43 -0.06 0.00 1.01 0.00 0.00 58.87 60.22 1gqh n SER 23 Cb 0.29 -1.44 0.01 0.00 -1.01 0.00 0.00 64.21 62.06 1gqh n SER 23 CO 0.00 0.00 0.00 -0.74 -3.01 0.00 0.00 175.04 171.29 1gqh h HIS 24 N -1.68 -0.50 -6.59 1.43 2.76 -1.89 -3.46 115.15 105.21 1gqh h HIS 24 Ca -0.44 0.04 -0.52 0.00 -2.20 0.00 0.00 60.37 57.26 1gqh h HIS 24 Cb 1.28 0.28 -0.06 0.00 1.55 0.00 0.00 27.41 30.46 1gqh h HIS 24 CO 0.47 -0.28 -0.92 0.00 -1.30 0.00 0.00 177.93 175.91 1gqh n ALA 25 N -2.87 -2.13 -4.01 5.26 0.00 0.11 -1.32 120.51 115.55 1gqh n ALA 25 Ca 0.02 -0.32 -0.29 0.00 0.00 0.00 0.00 53.44 52.86 1gqh n ALA 25 Cb 0.29 -1.79 -0.02 0.00 0.00 0.00 0.00 19.45 17.93 1gqh n ALA 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1gqh n ARG 26 N -4.45 -3.56 -1.74 0.00 1.74 -1.26 0.15 116.66 107.53 1gqh n ARG 26 Ca -0.27 0.42 -0.42 0.00 -0.77 0.00 0.00 57.85 56.81 1gqh n ARG 26 Cb 0.67 -4.81 -0.01 0.00 -1.02 0.00 0.00 32.46 27.29 1gqh n ARG 26 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1gqh n ALA 27 N -4.42 1.98 -2.47 7.54 0.00 -0.44 -4.67 120.51 118.04 1gqh n ALA 27 Ca -0.17 0.36 -0.10 0.00 0.00 0.00 0.00 53.44 53.52 1gqh n ALA 27 Cb 0.62 -2.36 -0.11 0.00 0.00 0.00 0.00 19.45 17.60 1gqh n ALA 27 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1gqh s VAL 28 N -0.91 0.44 0.11 0.00 -7.23 -0.98 -1.13 120.40 110.70 1gqh s VAL 28 Ca 0.56 -1.51 0.08 0.00 -1.81 0.00 0.00 61.98 59.30 1gqh s VAL 28 Cb -0.52 -1.12 -0.04 0.00 0.56 0.00 0.00 36.38 35.26 1gqh s VAL 28 CO 0.61 -0.71 -0.12 0.42 -0.31 0.00 0.00 175.10 174.98 1gqh s THR 29 N -2.74 3.22 -0.26 5.32 -4.23 -0.18 -0.94 115.64 115.84 1gqh s THR 29 Ca 0.00 -1.35 0.00 0.00 -1.18 0.00 0.00 61.69 59.16 1gqh s THR 29 Cb -0.01 -2.51 0.07 0.00 1.34 0.00 0.00 72.50 71.40 1gqh s THR 29 CO -0.04 0.10 0.01 -0.69 -0.54 0.00 0.00 174.62 173.46 1gqh s VAL 30 N -1.22 1.26 0.00 2.29 1.01 -0.07 -0.89 120.40 122.78 1gqh s VAL 30 Ca 0.21 -1.27 0.00 0.00 0.00 0.00 0.00 61.98 60.92 1gqh s VAL 30 Cb -0.11 -1.72 0.00 0.00 0.00 0.00 0.00 36.38 34.55 1gqh s VAL 30 CO 0.13 -0.33 0.00 0.47 0.00 0.00 0.00 175.10 175.37 1gqh n ASP 31 N 4.74 0.00 -0.10 3.32 8.00 -1.26 -1.00 116.55 130.25 1gqh n ASP 31 Ca -0.07 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.56 1gqh n ASP 31 Cb 0.44 0.00 0.43 0.00 -0.02 0.00 0.00 41.12 41.97 1gqh n ASP 31 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1gqh n THR 32 N 0.00 0.00 -3.26 -3.53 -2.24 -1.26 -4.89 114.28 99.10 1gqh n THR 32 Ca 0.00 -0.05 -0.39 0.00 -2.27 0.00 0.00 64.05 61.34 1gqh n THR 32 Cb 0.00 0.10 -0.06 0.00 -2.10 0.00 0.00 70.33 68.27 1gqh n THR 32 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 1gqh s GLN 33 N -2.72 4.21 -0.14 -0.78 -0.21 -0.17 -4.57 119.66 115.28 1gqh s GLN 33 Ca 0.20 0.75 0.02 0.00 0.02 0.00 0.00 55.36 56.35 1gqh s GLN 33 Cb 0.19 -3.24 0.01 0.00 1.00 0.00 0.00 33.01 30.97 1gqh s GLN 33 CO 0.57 0.64 -0.19 -1.17 -2.12 0.00 0.00 175.29 173.01 1gqh s LEU 34 N -1.11 1.98 -0.03 2.90 0.20 -0.67 -0.89 118.68 121.06 1gqh s LEU 34 Ca 0.29 -0.56 0.01 0.00 0.69 0.00 0.00 54.13 54.56 1gqh s LEU 34 Cb -0.20 -1.34 -0.03 0.00 -0.43 0.00 0.00 46.19 44.19 1gqh s LEU 34 CO 0.19 0.04 -0.02 -0.31 -0.29 0.00 0.00 176.35 175.97 1gqh s TYR 35 N 0.97 3.05 0.05 5.38 1.51 -0.11 -1.34 117.35 126.87 1gqh s TYR 35 Ca -0.04 0.08 0.06 0.00 -1.01 0.00 0.00 57.07 56.16 1gqh s TYR 35 Cb -0.15 -1.69 -0.03 0.00 -0.11 0.00 0.00 41.96 39.98 1gqh s TYR 35 CO -0.04 0.44 -0.18 1.03 -1.11 0.00 0.00 175.55 175.69 1gqh s ARG 36 N -1.30 1.12 -0.57 -0.62 0.52 -0.29 -2.32 118.95 115.48 1gqh s ARG 36 Ca 0.17 -0.91 0.00 0.00 -0.52 0.00 0.00 55.73 54.47 1gqh s ARG 36 Cb -0.11 -1.21 0.14 0.00 0.52 0.00 0.00 34.95 34.29 1gqh s ARG 36 CO 0.07 0.30 0.35 -0.06 0.02 0.00 0.00 175.30 175.97 1gqh s PHE 37 N -0.92 3.33 0.17 -0.53 0.08 0.12 -2.34 117.98 117.89 1gqh s PHE 37 Ca 0.04 -2.91 -0.10 0.00 0.12 0.00 0.00 56.93 54.08 1gqh s PHE 37 Cb -0.09 -3.03 0.03 0.00 -0.57 0.00 0.00 43.02 39.36 1gqh s PHE 37 CO 0.02 -0.81 1.59 1.88 -0.10 0.00 0.00 175.22 177.80 1gqh h TYR 38 N 6.85 1.16 -3.43 0.36 0.05 -1.65 -3.39 116.97 116.92 1gqh h TYR 38 Ca -0.05 -0.24 -0.48 0.00 0.05 0.00 0.00 58.73 58.01 1gqh h TYR 38 Cb 0.93 -0.28 -0.34 0.00 1.01 0.00 0.00 36.73 38.05 1gqh h TYR 38 CO 0.62 1.07 -0.80 0.08 -1.05 0.00 0.00 178.16 178.08 1gqh s VAL 39 N -4.83 0.93 0.47 -2.88 1.01 -0.51 -4.60 120.40 109.99 1gqh s VAL 39 Ca -0.12 -0.36 0.05 0.00 0.00 0.00 0.00 61.98 61.56 1gqh s VAL 39 Cb 0.13 -0.87 -0.02 0.00 0.00 0.00 0.00 36.38 35.61 1gqh s VAL 39 CO 0.87 0.31 0.17 0.42 0.00 0.00 0.00 175.10 176.87 1gqh s THR 40 N 0.75 1.80 0.08 3.92 -4.23 -1.26 -1.57 115.64 115.13 1gqh s THR 40 Ca -0.13 -1.75 -0.32 0.00 -1.18 0.00 0.00 61.69 58.30 1gqh s THR 40 Cb -0.15 -2.56 -0.14 0.00 1.34 0.00 0.00 72.50 70.99 1gqh s THR 40 CO 0.02 0.00 1.50 1.23 -0.54 0.00 0.00 174.62 176.83 1gqh h GLY 41 N 1.27 -1.20 0.74 3.99 0.00 -1.83 -0.12 103.07 105.92 1gqh h GLY 41 Ca -0.42 0.60 0.05 0.00 0.00 0.00 0.00 47.33 47.56 1gqh h GLY 41 CO 0.69 -0.33 0.45 -2.55 0.00 0.00 0.00 176.54 174.80 1gqh h PRO 42 N -0.80 0.81 0.00 4.80 0.11 -1.90 1.05 132.00 136.06 1gqh h PRO 42 Ca -0.03 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.97 1gqh h PRO 42 Cb 0.74 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 1gqh h PRO 42 CO -0.15 0.53 -0.28 0.66 -0.21 0.00 0.00 178.00 178.55 1gqh h SER 43 N 0.83 0.00 -0.31 -2.05 4.64 -1.61 -3.03 113.55 112.02 1gqh h SER 43 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1gqh h SER 43 Cb 0.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 1gqh h SER 43 CO -0.16 0.28 0.00 -1.54 -0.87 0.00 0.00 176.83 174.54 1gqh n SER 44 N -3.81 3.13 -1.96 4.97 3.41 -0.07 -4.22 113.62 115.07 1gqh n SER 44 Ca -0.01 -1.91 -0.16 0.00 -0.26 0.00 0.00 58.87 56.53 1gqh n SER 44 Cb 0.37 -0.20 0.01 0.00 -0.26 0.00 0.00 64.21 64.13 1gqh n SER 44 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gqh n GLY 45 N 1.21 -0.22 2.31 5.00 0.00 -0.10 -2.84 105.19 110.55 1gqh n GLY 45 Ca 0.16 -0.19 -0.08 0.00 0.00 0.00 0.00 46.02 45.91 1gqh n GLY 45 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1gqh n TYR 46 N -4.08 0.00 -0.03 1.61 4.01 0.35 -4.94 117.16 114.07 1gqh n TYR 46 Ca -0.13 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.47 1gqh n TYR 46 Cb 0.61 -1.66 -0.10 0.00 -0.31 0.00 0.00 39.34 37.89 1gqh n TYR 46 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1gqh h ALA 47 N 0.00 0.06 -2.55 -0.72 0.00 -1.75 -2.13 119.26 112.17 1gqh h ALA 47 Ca -0.15 -0.31 0.14 0.00 0.00 0.00 0.00 54.91 54.58 1gqh h ALA 47 Cb 0.59 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 1gqh h ALA 47 CO 0.23 -0.09 0.41 -0.59 0.00 0.00 0.00 179.25 179.21 1gqh s PHE 48 N -3.98 -0.12 -0.02 0.00 -0.12 -1.26 -3.42 117.98 109.05 1gqh s PHE 48 Ca -0.16 -0.25 0.08 0.00 -0.05 0.00 0.00 56.93 56.56 1gqh s PHE 48 Cb 0.02 0.67 -0.02 0.00 -0.63 0.00 0.00 43.02 43.06 1gqh s PHE 48 CO 0.71 -0.98 -0.26 0.99 -0.05 0.00 0.00 175.22 175.63 1gqh s THR 49 N -3.36 2.04 -0.19 -4.49 2.01 0.26 -4.20 115.64 107.72 1gqh s THR 49 Ca 0.13 -1.10 -0.00 0.00 0.31 0.00 0.00 61.69 61.02 1gqh s THR 49 Cb -0.03 -1.69 0.05 0.00 0.01 0.00 0.00 72.50 70.83 1gqh s THR 49 CO 0.04 0.58 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.27 1gqh s LEU 50 N -0.57 1.96 0.13 4.42 0.20 -0.61 -1.37 118.68 122.84 1gqh s LEU 50 Ca 0.09 -0.85 0.03 0.00 0.69 0.00 0.00 54.13 54.09 1gqh s LEU 50 Cb -0.10 -1.03 -0.04 0.00 -0.43 0.00 0.00 46.19 44.59 1gqh s LEU 50 CO -0.01 -0.20 -0.07 0.00 -0.29 0.00 0.00 176.35 175.79 1gqh s MET 51 N 1.54 0.97 -0.03 1.98 0.23 0.79 -1.42 119.30 123.36 1gqh s MET 51 Ca -0.01 -1.42 0.06 0.00 -1.03 0.00 0.00 55.69 53.29 1gqh s MET 51 Cb -0.16 -0.38 -0.01 0.00 -1.53 0.00 0.00 34.83 32.75 1gqh s MET 51 CO -0.07 -0.00 -0.20 0.20 -2.03 0.00 0.00 175.02 172.91 1gqh s GLY 52 N -3.12 0.99 -0.12 3.16 0.00 -0.99 0.14 107.32 107.38 1gqh s GLY 52 Ca 0.16 -0.83 0.03 0.00 0.00 0.00 0.00 44.72 44.07 1gqh s GLY 52 CO -0.01 -0.62 -0.22 -1.59 0.00 0.00 0.00 173.10 170.66 1gqh s THR 53 N -0.31 2.15 -0.04 0.90 2.01 0.12 -1.14 115.64 119.33 1gqh s THR 53 Ca 0.04 -0.97 0.07 0.00 0.31 0.00 0.00 61.69 61.14 1gqh s THR 53 Cb -0.09 -1.84 -0.02 0.00 0.01 0.00 0.00 72.50 70.56 1gqh s THR 53 CO 0.00 0.55 -0.26 0.20 -0.69 0.00 0.00 174.62 174.43 1gqh s ASN 54 N 0.57 3.07 -0.12 3.53 -0.87 -0.45 -0.96 114.94 119.71 1gqh s ASN 54 Ca -0.13 -0.48 -0.30 0.00 -1.57 0.00 0.00 52.86 50.38 1gqh s ASN 54 Cb -0.17 -0.54 0.11 0.00 -0.02 0.00 0.00 41.25 40.63 1gqh s ASN 54 CO 0.04 0.29 0.91 0.00 -2.57 0.00 0.00 177.10 175.77 1gqh s ALA 55 N -0.43 -1.89 0.86 0.60 0.00 -0.77 -1.67 121.76 118.45 1gqh s ALA 55 Ca 0.05 1.49 -0.11 0.00 0.00 0.00 0.00 51.96 53.39 1gqh s ALA 55 Cb -0.11 -0.47 0.15 0.00 0.00 0.00 0.00 23.12 22.69 1gqh s ALA 55 CO 0.01 -0.35 1.19 -1.25 0.00 0.00 0.00 175.76 175.36 1gqh s PRO 56 N -1.26 1.20 0.30 0.00 0.04 -1.26 -3.08 135.00 130.95 1gqh s PRO 56 Ca -0.04 -0.53 -0.30 0.00 0.04 0.00 0.00 61.00 60.17 1gqh s PRO 56 Cb -0.00 -2.02 -0.12 0.00 0.04 0.00 0.00 34.50 32.40 1gqh s PRO 56 CO 0.03 -1.96 1.52 1.58 0.04 0.00 0.00 177.00 178.21 1gqh n HIS 57 N -3.39 2.70 -4.65 0.56 -0.00 -1.24 -4.73 115.22 104.47 1gqh n HIS 57 Ca 0.14 0.34 -0.22 0.00 -0.00 0.00 0.00 57.72 57.98 1gqh n HIS 57 Cb 0.60 -2.55 -0.15 0.00 -0.00 0.00 0.00 29.99 27.89 1gqh n HIS 57 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.34 176.79 1gqh s SER 58 N 0.29 1.72 0.00 0.26 0.15 -0.68 -5.00 113.70 110.43 1gqh s SER 58 Ca 0.62 -0.28 0.30 0.00 0.70 0.00 0.00 55.95 57.29 1gqh s SER 58 Cb -0.53 -0.18 1.55 0.00 -1.71 0.00 0.00 66.02 65.15 1gqh s SER 58 CO 0.52 0.17 2.03 0.47 1.20 0.00 0.00 173.24 177.63 1gqh n ASP 59 N 2.63 0.56 -4.48 5.45 8.00 -1.26 -4.62 116.55 122.83 1gqh n ASP 59 Ca -0.15 -1.12 -0.24 0.00 0.71 0.00 0.00 54.79 53.99 1gqh n ASP 59 Cb 0.55 -0.01 -0.10 0.00 -0.02 0.00 0.00 41.12 41.54 1gqh n ASP 59 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1gqh s ALA 60 N -2.05 2.77 0.56 2.24 0.00 -1.26 -5.11 121.76 118.90 1gqh s ALA 60 Ca 0.42 -1.81 -0.19 0.00 0.00 0.00 0.00 51.96 50.38 1gqh s ALA 60 Cb 0.21 -0.34 -0.07 0.00 0.00 0.00 0.00 23.12 22.93 1gqh s ALA 60 CO 0.37 0.30 0.87 1.28 0.00 0.00 0.00 175.76 178.59 1gqh n LEU 61 N -0.51 2.82 -0.02 0.00 4.77 -1.26 -4.65 117.00 118.15 1gqh n LEU 61 Ca -0.06 0.83 0.14 0.00 -0.03 0.00 0.00 56.01 56.89 1gqh n LEU 61 Cb 0.59 -1.33 0.57 0.00 -2.33 0.00 0.00 43.42 40.92 1gqh n LEU 61 CO 0.37 -2.06 0.86 0.61 -1.33 0.00 0.00 177.39 175.84 1gqh n GLY 62 N 1.38 -1.34 3.55 -0.72 0.00 0.10 -4.83 105.19 103.34 1gqh n GLY 62 Ca 0.12 -0.18 -0.08 0.00 0.00 0.00 0.00 46.02 45.89 1gqh n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gqh s VAL 63 N -2.86 0.00 0.51 1.61 0.11 -1.26 -4.28 120.40 114.23 1gqh s VAL 63 Ca 0.18 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 59.05 1gqh s VAL 63 Cb 0.19 -1.00 -0.08 0.00 -1.53 0.00 0.00 36.38 33.96 1gqh s VAL 63 CO 0.54 0.00 1.00 -0.76 -3.33 0.00 0.00 175.10 172.56 1gqh s LEU 64 N -2.01 3.70 0.39 2.54 1.43 -1.26 -4.62 118.68 118.85 1gqh s LEU 64 Ca 0.04 1.71 -0.27 0.00 -1.03 0.00 0.00 54.13 54.58 1gqh s LEU 64 Cb -0.01 -4.53 -0.11 0.00 0.03 0.00 0.00 46.19 41.58 1gqh s LEU 64 CO -0.05 -0.70 1.37 -2.65 0.23 0.00 0.00 176.35 174.55 1gqh n PRO 65 N -1.39 2.25 -3.58 1.29 -0.02 -1.26 -4.86 135.00 127.44 1gqh n PRO 65 Ca 0.08 0.79 -0.07 0.00 -2.02 0.00 0.00 63.50 62.28 1gqh n PRO 65 Cb 0.54 -2.49 -0.02 0.00 -0.02 0.00 0.00 33.50 31.50 1gqh n PRO 65 CO 0.00 0.00 0.00 -3.38 1.98 0.00 0.00 175.50 174.10 1gqh s HIS 66 N -1.15 -0.28 0.31 6.00 -3.43 -1.16 -2.01 115.29 113.57 1gqh s HIS 66 Ca 0.57 0.09 0.09 0.00 -0.80 0.00 0.00 55.06 55.01 1gqh s HIS 66 Cb -0.50 0.57 -0.06 0.00 -1.43 0.00 0.00 32.58 31.16 1gqh s HIS 66 CO 0.61 -0.65 -0.11 0.96 -2.00 0.00 0.00 174.74 173.54 1gqh s ILE 67 N -3.21 2.14 -0.13 -5.38 -4.36 0.45 -2.52 121.20 108.19 1gqh s ILE 67 Ca 0.07 -2.23 0.00 0.00 -0.26 0.00 0.00 60.65 58.23 1gqh s ILE 67 Cb -0.01 -2.50 -0.01 0.00 1.25 0.00 0.00 42.46 41.19 1gqh s ILE 67 CO -0.05 -0.29 -0.15 -1.00 0.24 0.00 0.00 174.94 173.69 1gqh s HIS 68 N -2.69 2.77 -0.13 1.37 3.76 -1.26 -1.08 115.29 118.03 1gqh s HIS 68 Ca 0.31 -0.77 0.16 0.00 -0.15 0.00 0.00 55.06 54.62 1gqh s HIS 68 Cb 0.01 -1.84 -0.08 0.00 1.11 0.00 0.00 32.58 31.78 1gqh s HIS 68 CO 0.15 -0.29 1.00 1.96 -0.85 0.00 0.00 174.74 176.71 1gqh h GLN 69 N 6.82 0.00 0.00 1.40 4.20 -1.95 0.26 115.11 125.83 1gqh h GLN 69 Ca -0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.45 1gqh h GLN 69 Cb 1.21 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.99 1gqh h GLN 69 CO 0.55 0.34 0.00 1.63 -0.67 0.00 0.00 178.83 180.68 1gqh n LYS 70 N -2.97 -0.79 -5.05 1.46 5.02 -1.26 -4.61 118.16 109.95 1gqh n LYS 70 Ca -0.06 -0.44 -0.29 0.00 -2.02 0.00 0.00 58.31 55.49 1gqh n LYS 70 Cb 0.80 -0.94 -0.16 0.00 -0.02 0.00 0.00 35.03 34.70 1gqh n LYS 70 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 1gqh s HIS 71 N -0.01 2.14 -0.28 2.13 3.76 -1.26 -4.37 115.29 117.40 1gqh s HIS 71 Ca 0.00 -0.70 -0.17 0.00 -0.15 0.00 0.00 55.06 54.04 1gqh s HIS 71 Cb 0.00 -1.43 -0.03 0.00 1.11 0.00 0.00 32.58 32.23 1gqh s HIS 71 CO 0.00 -0.25 0.46 -0.47 -0.85 0.00 0.00 174.74 173.62 1gqh s TYR 72 N 0.09 3.24 -0.05 1.40 6.14 -0.16 -3.89 117.35 124.14 1gqh s TYR 72 Ca -0.08 0.47 -0.04 0.00 0.64 0.00 0.00 57.07 58.06 1gqh s TYR 72 Cb -0.14 -2.69 -0.04 0.00 0.42 0.00 0.00 41.96 39.51 1gqh s TYR 72 CO 0.04 -0.30 0.15 -2.00 0.64 0.00 0.00 175.55 174.09 1gqh s GLU 73 N 2.22 3.39 -0.03 4.97 2.12 -0.15 -1.57 118.70 129.65 1gqh s GLU 73 Ca 0.18 -0.28 0.03 0.00 0.36 0.00 0.00 54.97 55.26 1gqh s GLU 73 Cb -0.16 -3.09 0.00 0.00 0.26 0.00 0.00 34.13 31.14 1gqh s GLU 73 CO 0.10 0.71 -0.10 -0.80 -0.54 0.00 0.00 175.26 174.62 1gqh s ASN 74 N -1.61 1.35 -0.18 -1.70 0.01 -0.29 -0.68 114.94 111.85 1gqh s ASN 74 Ca 0.23 -0.21 0.01 0.00 -0.71 0.00 0.00 52.86 52.17 1gqh s ASN 74 Cb -0.12 -0.37 0.02 0.00 0.41 0.00 0.00 41.25 41.19 1gqh s ASN 74 CO 0.13 0.08 -0.20 -0.36 -1.51 0.00 0.00 177.10 175.24 1gqh s PHE 75 N 0.17 2.78 -0.09 2.20 0.40 0.27 -1.83 117.98 121.89 1gqh s PHE 75 Ca -0.03 -1.61 0.04 0.00 -0.60 0.00 0.00 56.93 54.72 1gqh s PHE 75 Cb -0.09 -1.92 0.00 0.00 0.51 0.00 0.00 43.02 41.52 1gqh s PHE 75 CO 0.01 -0.79 -0.21 -0.47 0.70 0.00 0.00 175.22 174.45 1gqh s TYR 76 N 1.28 2.32 -0.53 0.36 5.04 -0.25 -0.41 117.35 125.16 1gqh s TYR 76 Ca 0.05 -0.95 -0.23 0.00 -2.44 0.00 0.00 57.07 53.49 1gqh s TYR 76 Cb -0.13 -1.58 0.04 0.00 0.35 0.00 0.00 41.96 40.64 1gqh s TYR 76 CO -0.12 -0.40 0.87 0.00 -1.34 0.00 0.00 175.55 174.56 1gqh h ASN 78 N 9.22 0.73 -5.09 0.00 -0.73 -1.29 0.10 115.58 118.52 1gqh h ASN 78 Ca -0.26 -0.48 0.10 0.00 1.87 0.00 0.00 56.30 57.53 1gqh h ASN 78 Cb 1.08 -0.21 -0.08 0.00 0.27 0.00 0.00 38.32 39.39 1gqh h ASN 78 CO 1.05 1.06 0.34 -1.59 -0.37 0.00 0.00 177.43 177.93 1gqh s LYS 79 N -4.32 1.44 4.71 6.67 -2.85 -1.19 -4.59 119.74 119.61 1gqh s LYS 79 Ca -0.12 -0.76 0.00 0.00 -1.00 0.00 0.00 55.97 54.09 1gqh s LYS 79 Cb 0.08 0.52 0.00 0.00 -2.06 0.00 0.00 37.83 36.37 1gqh s LYS 79 CO 0.83 -0.66 0.00 0.41 0.10 0.00 0.00 175.35 176.03 1gqh n GLY 80 N -0.44 1.34 3.56 0.59 0.00 -1.22 -1.93 105.19 107.09 1gqh n GLY 80 Ca -0.07 -0.72 -0.12 0.00 0.00 0.00 0.00 46.02 45.12 1gqh n GLY 80 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gqh s SER 81 N -4.00 -0.44 -0.12 1.61 1.04 -1.26 -3.31 113.70 107.22 1gqh s SER 81 Ca 0.00 0.47 -0.19 0.00 0.48 0.00 0.00 55.95 56.71 1gqh s SER 81 Cb 0.00 0.36 0.05 0.00 0.10 0.00 0.00 66.02 66.53 1gqh s SER 81 CO 0.00 -0.41 0.48 0.72 0.98 0.00 0.00 173.24 175.00 1gqh s PHE 82 N -1.18 -0.47 0.14 5.02 -0.12 -0.53 -1.02 117.98 119.82 1gqh s PHE 82 Ca -0.04 1.04 -0.19 0.00 -0.05 0.00 0.00 56.93 57.69 1gqh s PHE 82 Cb -0.00 0.20 -0.07 0.00 -0.63 0.00 0.00 43.02 42.51 1gqh s PHE 82 CO 0.03 -0.34 0.64 -1.14 -0.05 0.00 0.00 175.22 174.36 1gqh s GLN 83 N -0.32 4.23 -0.06 1.99 0.74 0.12 -0.74 119.66 125.61 1gqh s GLN 83 Ca -0.05 0.79 0.03 0.00 0.05 0.00 0.00 55.36 56.18 1gqh s GLN 83 Cb -0.03 -3.08 0.01 0.00 1.10 0.00 0.00 33.01 31.01 1gqh s GLN 83 CO 0.03 0.53 -0.13 -1.17 -0.55 0.00 0.00 175.29 173.99 1gqh s LEU 84 N -1.53 1.73 0.11 3.68 2.96 -0.17 -0.87 118.68 124.59 1gqh s LEU 84 Ca 0.36 -0.31 0.09 0.00 -0.22 0.00 0.00 54.13 54.05 1gqh s LEU 84 Cb -0.18 -0.85 -0.04 0.00 0.50 0.00 0.00 46.19 45.61 1gqh s LEU 84 CO 0.21 0.07 -0.19 0.26 -1.32 0.00 0.00 176.35 175.37 1gqh s TRP 85 N 0.48 2.51 -0.19 5.38 0.51 -0.64 -1.73 118.94 125.26 1gqh s TRP 85 Ca -0.12 -0.28 -0.28 0.00 -2.12 0.00 0.00 56.10 53.31 1gqh s TRP 85 Cb -0.14 -1.35 0.09 0.00 -0.81 0.00 0.00 33.47 31.26 1gqh s TRP 85 CO 0.03 0.36 0.80 0.00 -0.51 0.00 0.00 176.95 177.63 1gqh s ALA 86 N -1.10 -1.83 -0.14 0.98 0.00 -0.10 -2.49 121.76 117.08 1gqh s ALA 86 Ca 0.17 1.71 -0.12 0.00 0.00 0.00 0.00 51.96 53.72 1gqh s ALA 86 Cb -0.10 -0.77 0.04 0.00 0.00 0.00 0.00 23.12 22.28 1gqh s ALA 86 CO 0.09 -0.33 0.37 -1.14 0.00 0.00 0.00 175.76 174.75 1gqh s GLN 87 N -0.36 0.42 -0.16 0.00 0.74 -0.16 -1.30 119.66 118.84 1gqh s GLN 87 Ca -0.03 0.56 -0.04 0.00 0.05 0.00 0.00 55.36 55.90 1gqh s GLN 87 Cb -0.03 0.16 -0.03 0.00 1.10 0.00 0.00 33.01 34.21 1gqh s GLN 87 CO 0.03 -0.08 -0.04 0.45 -0.55 0.00 0.00 175.29 175.10 1gqh s SER 88 N 0.45 4.73 0.00 6.67 0.15 -1.26 -1.28 113.70 123.16 1gqh s SER 88 Ca -0.02 -0.16 0.00 0.00 0.70 0.00 0.00 55.95 56.47 1gqh s SER 88 Cb -0.04 -1.77 0.00 0.00 -1.71 0.00 0.00 66.02 62.50 1gqh s SER 88 CO -0.02 0.15 0.00 0.61 1.20 0.00 0.00 173.24 175.18 1gqh n GLY 89 N 3.65 1.41 0.25 9.45 0.00 -1.26 -0.28 105.19 118.39 1gqh n GLY 89 Ca -0.17 0.40 0.13 0.00 0.00 0.00 0.00 46.02 46.37 1gqh n GLY 89 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1gqh n ASN 90 N 2.61 0.97 -4.82 1.61 3.02 -1.26 -4.97 115.26 112.42 1gqh n ASN 90 Ca 0.00 -0.90 -0.33 0.00 -0.03 0.00 0.00 54.58 53.32 1gqh n ASN 90 Cb 0.00 0.08 -0.02 0.00 -0.61 0.00 0.00 39.78 39.23 1gqh n ASN 90 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1gqh s GLU 91 N -2.44 3.70 0.30 3.52 2.02 0.61 -4.98 118.70 121.43 1gqh s GLU 91 Ca 0.27 1.15 -0.28 0.00 0.02 0.00 0.00 54.97 56.13 1gqh s GLU 91 Cb 0.20 -2.09 -0.14 0.00 0.10 0.00 0.00 34.13 32.20 1gqh s GLU 91 CO 0.49 -0.49 1.01 2.41 0.02 0.00 0.00 175.26 178.70 1gqh n THR 92 N -1.54 2.01 -2.28 3.63 -1.04 -1.26 -4.56 114.28 109.24 1gqh n THR 92 Ca 0.08 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.05 61.18 1gqh n THR 92 Cb 0.53 -1.02 -0.03 0.00 -1.82 0.00 0.00 70.33 68.00 1gqh n THR 92 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1gqh s GLN 93 N -1.59 4.45 0.04 -2.82 0.74 -1.26 -4.74 119.66 114.48 1gqh s GLN 93 Ca 0.59 2.01 0.07 0.00 0.05 0.00 0.00 55.36 58.07 1gqh s GLN 93 Cb -0.69 -3.17 -0.03 0.00 1.10 0.00 0.00 33.01 30.21 1gqh s GLN 93 CO 0.60 -0.11 -0.18 -0.65 -0.55 0.00 0.00 175.29 174.40 1gqh s GLN 94 N -0.79 2.07 -0.01 1.67 -1.52 -0.42 -4.26 119.66 116.40 1gqh s GLN 94 Ca 0.52 -0.98 -0.07 0.00 -1.95 0.00 0.00 55.36 52.87 1gqh s GLN 94 Cb -0.36 -2.19 0.00 0.00 -0.22 0.00 0.00 33.01 30.25 1gqh s GLN 94 CO 0.42 0.54 0.14 -0.08 -0.25 0.00 0.00 175.29 176.06 1gqh s THR 95 N -0.93 0.07 -0.00 -0.19 -1.32 -0.06 -0.92 115.64 112.28 1gqh s THR 95 Ca 0.15 -0.55 -0.06 0.00 -1.21 0.00 0.00 61.69 60.03 1gqh s THR 95 Cb -0.10 -0.39 -0.00 0.00 -1.51 0.00 0.00 72.50 70.49 1gqh s THR 95 CO 0.05 -0.30 0.10 -0.13 -2.21 0.00 0.00 174.62 172.14 1gqh s ARG 96 N -1.07 0.41 -0.34 7.08 1.81 -0.71 -2.14 118.95 123.99 1gqh s ARG 96 Ca -0.12 -0.36 -0.15 0.00 -1.72 0.00 0.00 55.73 53.38 1gqh s ARG 96 Cb -0.06 0.17 -0.01 0.00 -0.45 0.00 0.00 34.95 34.59 1gqh s ARG 96 CO 0.01 -0.09 0.34 0.08 -0.68 0.00 0.00 175.30 174.96 1gqh s VAL 97 N -1.20 5.19 -0.09 3.52 1.01 -0.11 -1.00 120.40 127.71 1gqh s VAL 97 Ca -0.13 0.02 -0.21 0.00 0.00 0.00 0.00 61.98 61.66 1gqh s VAL 97 Cb -0.07 -3.80 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 1gqh s VAL 97 CO 0.01 -0.07 0.62 -0.76 0.00 0.00 0.00 175.10 174.90 1gqh s LEU 98 N 1.97 4.29 0.00 3.92 1.02 0.08 -4.92 118.68 125.04 1gqh s LEU 98 Ca 0.11 1.04 0.00 0.00 0.02 0.00 0.00 54.13 55.30 1gqh s LEU 98 Cb -0.17 -2.94 0.00 0.00 0.02 0.00 0.00 46.19 43.10 1gqh s LEU 98 CO 0.11 -0.09 0.00 -1.54 0.02 0.00 0.00 176.35 174.85 1gqh n SER 99 N 3.85 1.02 -4.68 2.29 3.41 -1.26 -1.45 113.62 116.80 1gqh n SER 99 Ca -0.03 -0.91 -0.48 0.00 -0.26 0.00 0.00 58.87 57.19 1gqh n SER 99 Cb 0.51 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.42 1gqh n SER 99 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1gqh n SER 100 N -1.80 3.32 0.00 4.04 7.64 -1.21 -1.48 113.62 124.12 1gqh n SER 100 Ca 0.00 1.00 0.00 0.00 1.01 0.00 0.00 58.87 60.88 1gqh n SER 100 Cb 0.00 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 61.82 1gqh n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1gqh n GLY 101 N 4.15 0.99 3.83 0.23 0.00 0.36 -4.75 105.19 110.00 1gqh n GLY 101 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 1gqh n GLY 101 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1gqh s ASP 102 N -2.94 6.66 0.00 1.61 1.01 -0.55 -3.83 116.67 118.62 1gqh s ASP 102 Ca 0.00 1.65 0.02 0.00 0.71 0.00 0.00 52.55 54.93 1gqh s ASP 102 Cb 0.00 -2.52 -0.01 0.00 1.01 0.00 0.00 42.92 41.40 1gqh s ASP 102 CO 0.00 -0.56 -0.08 -0.47 0.21 0.00 0.00 175.17 174.27 1gqh s TYR 103 N -2.42 0.70 -0.07 4.23 5.04 -0.39 -1.16 117.35 123.27 1gqh s TYR 103 Ca 0.61 -0.17 0.01 0.00 -2.44 0.00 0.00 57.07 55.08 1gqh s TYR 103 Cb -0.10 -0.44 0.02 0.00 0.35 0.00 0.00 41.96 41.78 1gqh s TYR 103 CO 0.25 -0.01 -0.09 0.20 -1.34 0.00 0.00 175.55 174.55 1gqh s GLY 104 N -0.35 0.71 -0.18 8.97 0.00 0.46 -0.79 107.32 116.14 1gqh s GLY 104 Ca 0.02 -0.34 -0.07 0.00 0.00 0.00 0.00 44.72 44.32 1gqh s GLY 104 CO -0.00 0.33 0.05 -0.45 0.00 0.00 0.00 173.10 173.03 1gqh s SER 105 N 0.92 5.56 -0.51 1.64 0.15 0.38 -0.56 113.70 121.28 1gqh s SER 105 Ca -0.10 0.07 0.03 0.00 0.70 0.00 0.00 55.95 56.65 1gqh s SER 105 Cb -0.15 -1.95 0.15 0.00 -1.71 0.00 0.00 66.02 62.37 1gqh s SER 105 CO 0.01 0.18 0.34 -0.69 1.20 0.00 0.00 173.24 174.27 1gqh s VAL 106 N 0.36 1.60 1.11 4.45 1.01 0.14 -2.73 120.40 126.33 1gqh s VAL 106 Ca 0.02 -3.09 -0.14 0.00 0.00 0.00 0.00 61.98 58.77 1gqh s VAL 106 Cb -0.12 -2.09 0.19 0.00 0.00 0.00 0.00 36.38 34.35 1gqh s VAL 106 CO 0.00 -1.01 0.62 -2.65 0.00 0.00 0.00 175.10 172.06 1gqh n PRO 107 N 2.92 -1.73 -1.44 2.72 -0.02 -1.26 -0.98 135.00 135.20 1gqh n PRO 107 Ca 0.17 -0.47 -0.37 0.00 -2.02 0.00 0.00 63.50 60.80 1gqh n PRO 107 Cb 0.38 -2.00 0.06 0.00 -0.02 0.00 0.00 33.50 31.92 1gqh n PRO 107 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1gqh n ARG 108 N -3.54 0.56 -1.39 -0.52 1.74 -1.25 -2.75 116.66 109.51 1gqh n ARG 108 Ca 0.04 0.23 -0.13 0.00 -0.77 0.00 0.00 57.85 57.22 1gqh n ARG 108 Cb 0.57 -1.99 -0.06 0.00 -1.02 0.00 0.00 32.46 29.96 1gqh n ARG 108 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1gqh n ASN 109 N -0.58 -5.56 -4.55 0.55 3.02 0.91 -4.87 115.26 104.19 1gqh n ASN 109 Ca 0.12 0.33 -0.37 0.00 -0.03 0.00 0.00 54.58 54.63 1gqh n ASN 109 Cb 0.49 -4.24 -0.11 0.00 -0.61 0.00 0.00 39.78 35.30 1gqh n ASN 109 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1gqh s VAL 110 N -2.18 4.96 0.28 2.41 1.01 -1.11 -4.59 120.40 121.19 1gqh s VAL 110 Ca 0.00 0.05 -0.29 0.00 0.00 0.00 0.00 61.98 61.74 1gqh s VAL 110 Cb 0.00 -3.34 -0.10 0.00 0.00 0.00 0.00 36.38 32.94 1gqh s VAL 110 CO 0.00 0.29 1.36 -0.89 0.00 0.00 0.00 175.10 175.86 1gqh s THR 111 N 1.63 2.75 0.22 3.92 2.01 -0.40 -4.58 115.64 121.19 1gqh s THR 111 Ca 0.07 0.68 -0.18 0.00 0.31 0.00 0.00 61.69 62.57 1gqh s THR 111 Cb -0.15 -3.43 0.02 0.00 0.01 0.00 0.00 72.50 68.94 1gqh s THR 111 CO 0.08 0.13 0.57 -1.38 -0.69 0.00 0.00 174.62 173.34 1gqh s HIS 112 N -0.53 -0.09 0.20 4.92 -3.43 -1.05 -0.99 115.29 114.33 1gqh s HIS 112 Ca 0.54 -0.28 -0.23 0.00 -0.80 0.00 0.00 55.06 54.29 1gqh s HIS 112 Cb -0.40 0.46 0.06 0.00 -1.43 0.00 0.00 32.58 31.27 1gqh s HIS 112 CO 0.47 -1.01 0.94 -0.08 -2.00 0.00 0.00 174.74 173.06 1gqh s THR 113 N -3.90 0.00 0.23 -5.38 -1.32 -1.04 -2.97 115.64 101.27 1gqh s THR 113 Ca 0.11 -0.71 -0.08 0.00 -1.21 0.00 0.00 61.69 59.80 1gqh s THR 113 Cb -0.02 -2.34 -0.02 0.00 -1.51 0.00 0.00 72.50 68.61 1gqh s THR 113 CO 0.01 0.00 0.35 0.72 -2.21 0.00 0.00 174.62 173.49 1gqh s PHE 114 N -2.92 0.67 -0.15 9.09 -0.71 -1.26 -1.63 117.98 121.07 1gqh s PHE 114 Ca 0.15 -0.98 -0.07 0.00 -1.04 0.00 0.00 56.93 54.99 1gqh s PHE 114 Cb -0.03 -0.09 0.06 0.00 -1.21 0.00 0.00 43.02 41.75 1gqh s PHE 114 CO 0.05 -0.87 0.35 -1.14 -1.34 0.00 0.00 175.22 172.27 1gqh s GLN 115 N -4.05 0.31 -0.04 1.99 0.74 -0.05 0.02 119.66 118.58 1gqh s GLN 115 Ca 0.29 0.72 -0.30 0.00 0.05 0.00 0.00 55.36 56.12 1gqh s GLN 115 Cb 0.02 -0.03 -0.03 0.00 1.10 0.00 0.00 33.01 34.08 1gqh s GLN 115 CO 0.10 -0.18 1.03 0.42 -0.55 0.00 0.00 175.29 176.11 1gqh s ILE 116 N 1.53 4.72 -0.22 -2.34 -1.09 -1.26 0.12 121.20 122.65 1gqh s ILE 116 Ca -0.08 1.97 -0.15 0.00 -2.23 0.00 0.00 60.65 60.16 1gqh s ILE 116 Cb -0.10 -4.26 -0.09 0.00 -1.58 0.00 0.00 42.46 36.43 1gqh s ILE 116 CO -0.11 0.08 -0.33 1.67 -1.23 0.00 0.00 174.94 175.02 1gqh n GLN 117 N 4.44 0.53 -3.41 2.79 7.27 -0.19 -1.69 117.38 127.11 1gqh n GLN 117 Ca 0.08 0.22 -0.32 0.00 0.07 0.00 0.00 57.00 57.05 1gqh n GLN 117 Cb 0.49 -1.40 -0.05 0.00 2.41 0.00 0.00 30.24 31.69 1gqh n GLN 117 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1gqh s ASP 118 N -6.72 6.63 0.41 1.69 1.01 -1.14 -4.40 116.67 114.14 1gqh s ASP 118 Ca -0.32 0.93 0.10 0.00 0.71 0.00 0.00 52.55 53.97 1gqh s ASP 118 Cb 0.10 -2.23 0.90 0.00 1.01 0.00 0.00 42.92 42.70 1gqh s ASP 118 CO 0.43 -0.08 1.99 -0.65 0.21 0.00 0.00 175.17 177.07 1gqh h PRO 119 N 2.53 0.53 -2.31 8.23 0.11 -1.89 -3.22 132.00 135.98 1gqh h PRO 119 Ca -0.47 -0.03 -0.64 0.00 0.11 0.00 0.00 66.00 64.97 1gqh h PRO 119 Cb 1.17 -0.12 -0.40 0.00 0.11 0.00 0.00 31.00 31.76 1gqh h PRO 119 CO 0.69 0.35 -0.35 -3.47 -0.21 0.00 0.00 178.00 175.02 1gqh n ASP 120 N -4.48 4.41 -4.79 -2.05 2.03 -1.26 -4.05 116.55 106.36 1gqh n ASP 120 Ca 0.09 -3.50 -0.36 0.00 0.52 0.00 0.00 54.79 51.54 1gqh n ASP 120 Cb 0.27 -0.75 -0.07 0.00 -0.72 0.00 0.00 41.12 39.84 1gqh n ASP 120 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 1gqh s THR 121 N -2.95 5.13 -0.05 5.18 2.01 -1.18 -3.41 115.64 120.36 1gqh s THR 121 Ca 0.40 0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.48 1gqh s THR 121 Cb 0.16 -3.24 0.02 0.00 0.01 0.00 0.00 72.50 69.46 1gqh s THR 121 CO -0.02 0.58 -0.03 -0.70 -0.69 0.00 0.00 174.62 173.76 1gqh s GLU 122 N -0.68 0.74 -0.17 4.92 2.12 -0.81 -1.84 118.70 122.98 1gqh s GLU 122 Ca 0.12 -0.03 -0.04 0.00 0.36 0.00 0.00 54.97 55.38 1gqh s GLU 122 Cb -0.12 -0.87 -0.02 0.00 0.26 0.00 0.00 34.13 33.37 1gqh s GLU 122 CO 0.02 -0.16 -0.04 -1.64 -0.54 0.00 0.00 175.26 172.91 1gqh s MET 123 N 1.27 3.61 -0.22 4.30 -1.94 -0.13 -0.78 119.30 125.40 1gqh s MET 123 Ca -0.06 -0.54 -0.14 0.00 -1.71 0.00 0.00 55.69 53.24 1gqh s MET 123 Cb -0.14 -2.94 -0.04 0.00 2.01 0.00 0.00 34.83 33.72 1gqh s MET 123 CO -0.02 0.14 0.32 0.99 -0.01 0.00 0.00 175.02 176.44 1gqh s THR 124 N 0.62 5.25 -0.12 2.05 2.01 0.98 -0.70 115.64 125.72 1gqh s THR 124 Ca -0.02 0.52 -0.03 0.00 0.31 0.00 0.00 61.69 62.47 1gqh s THR 124 Cb -0.14 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 68.69 1gqh s THR 124 CO 0.02 0.28 -0.03 -0.83 -0.69 0.00 0.00 174.62 173.37 1gqh s GLY 125 N 1.08 1.76 -0.22 4.40 0.00 0.36 -1.09 107.32 113.60 1gqh s GLY 125 Ca 0.15 -0.82 0.01 0.00 0.00 0.00 0.00 44.72 44.06 1gqh s GLY 125 CO 0.07 -0.31 -0.10 0.14 0.00 0.00 0.00 173.10 172.90 1gqh s VAL 126 N -0.18 1.80 -0.08 1.40 1.01 -0.76 -0.15 120.40 123.44 1gqh s VAL 126 Ca 0.04 -1.24 0.03 0.00 0.00 0.00 0.00 61.98 60.81 1gqh s VAL 126 Cb -0.13 -1.91 -0.02 0.00 0.00 0.00 0.00 36.38 34.32 1gqh s VAL 126 CO 0.02 0.07 -0.16 -0.63 0.00 0.00 0.00 175.10 174.41 1gqh s ILE 127 N 1.30 2.88 -0.07 2.22 1.01 -0.47 -1.13 121.20 126.93 1gqh s ILE 127 Ca -0.04 -0.77 0.02 0.00 0.00 0.00 0.00 60.65 59.86 1gqh s ILE 127 Cb -0.18 -2.14 0.01 0.00 0.01 0.00 0.00 42.46 40.17 1gqh s ILE 127 CO -0.07 0.57 -0.12 -0.69 0.00 0.00 0.00 174.94 174.63 1gqh s VAL 128 N -0.27 1.14 0.87 2.92 1.01 -0.61 -0.57 120.40 124.88 1gqh s VAL 128 Ca 0.01 -0.47 -0.15 0.00 0.00 0.00 0.00 61.98 61.38 1gqh s VAL 128 Cb -0.13 -1.05 0.20 0.00 0.00 0.00 0.00 36.38 35.40 1gqh s VAL 128 CO 0.03 0.36 1.10 -0.81 0.00 0.00 0.00 175.10 175.77 1gqh n PRO 129 N 3.93 -1.39 -2.15 2.72 -0.04 -1.26 -0.98 135.00 135.83 1gqh n PRO 129 Ca -0.22 -1.70 -0.28 0.00 -0.04 0.00 0.00 63.50 61.25 1gqh n PRO 129 Cb 0.52 -1.20 0.04 0.00 -0.04 0.00 0.00 33.50 32.81 1gqh n PRO 129 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1gqh s GLY 130 N -5.26 1.61 0.00 0.55 0.00 -0.80 -4.45 107.32 98.97 1gqh s GLY 130 Ca 0.63 -0.51 0.00 0.00 0.00 0.00 0.00 44.72 44.85 1gqh s GLY 130 CO 0.45 -0.19 0.00 0.61 0.00 0.00 0.00 173.10 173.97 1gqh n GLY 131 N -2.77 0.76 0.26 0.20 0.00 -1.26 -4.66 105.19 97.72 1gqh n GLY 131 Ca 0.06 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.25 1gqh n GLY 131 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1gqh h PHE 132 N 0.00 0.00 0.00 1.61 3.57 -1.94 -3.00 116.94 117.18 1gqh h PHE 132 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1gqh h PHE 132 Cb 0.00 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 1gqh h PHE 132 CO 0.00 0.00 0.00 1.05 -2.23 0.00 0.00 178.31 177.13 1gqh h GLU 133 N 0.00 0.00 -0.86 1.11 9.09 -1.95 -2.48 114.58 119.49 1gqh h GLU 133 Ca 0.00 0.00 0.19 0.00 0.05 0.00 0.00 59.36 59.60 1gqh h GLU 133 Cb 0.35 0.00 -0.06 0.00 -1.65 0.00 0.00 28.75 27.39 1gqh h GLU 133 CO 0.00 0.00 0.57 -0.44 0.05 0.00 0.00 179.01 179.19 1gqh h ASP 134 N 0.00 0.39 -0.57 3.06 3.32 -1.94 0.30 116.42 120.98 1gqh h ASP 134 Ca 0.00 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.09 1gqh h ASP 134 Cb 0.05 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 1gqh h ASP 134 CO 0.00 0.17 0.37 0.25 -1.72 0.00 0.00 179.24 178.31 1gqh h LEU 135 N 0.40 0.66 -0.75 1.55 7.12 -1.73 0.18 115.31 122.74 1gqh h LEU 135 Ca 0.44 -0.03 -0.11 0.00 0.13 0.00 0.00 57.88 58.31 1gqh h LEU 135 Cb 1.09 -0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 41.04 1gqh h LEU 135 CO -0.15 0.49 -0.23 -0.26 -0.13 0.00 0.00 178.44 178.16 1gqh h PHE 136 N 0.77 0.80 -0.36 1.25 0.04 -1.17 0.85 116.94 119.11 1gqh h PHE 136 Ca 0.21 -0.18 -0.00 0.00 2.80 0.00 0.00 57.97 60.80 1gqh h PHE 136 Cb -0.07 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 37.87 1gqh h PHE 136 CO -0.03 0.87 0.21 1.88 -0.60 0.00 0.00 178.31 180.64 1gqh h TYR 137 N 0.62 0.49 0.82 -0.55 0.05 -0.68 0.59 116.97 118.31 1gqh h TYR 137 Ca 0.09 -0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.82 1gqh h TYR 137 Cb 0.71 -0.16 0.01 0.00 1.01 0.00 0.00 36.73 38.30 1gqh h TYR 137 CO 0.03 0.37 -0.39 -0.92 -1.05 0.00 0.00 178.16 176.20 1gqh h TYR 138 N 0.47 -1.02 0.00 4.88 3.20 -0.13 -3.19 116.97 121.18 1gqh h TYR 138 Ca 0.13 -0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.94 1gqh h TYR 138 Cb 0.03 0.34 -0.00 0.00 1.54 0.00 0.00 36.73 38.63 1gqh h TYR 138 CO -0.03 -0.63 -0.16 -0.07 -1.64 0.00 0.00 178.16 175.63 1gqh h LEU 139 N -1.23 0.00-10.78 2.82 3.38 -0.92 -3.46 115.31 105.12 1gqh h LEU 139 Ca -0.11 0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.40 1gqh h LEU 139 Cb 0.86 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.73 1gqh h LEU 139 CO 0.19 0.16 0.27 -0.83 0.09 0.00 0.00 178.44 178.32 1gqh s GLY 140 N -4.28 1.77 -0.11 0.83 0.00 0.20 -4.91 107.32 100.82 1gqh s GLY 140 Ca 0.04 -1.49 0.03 0.00 0.00 0.00 0.00 44.72 43.30 1gqh s GLY 140 CO 0.66 -0.81 -0.21 -1.59 0.00 0.00 0.00 173.10 171.14 1gqh s THR 141 N -3.53 1.94 0.40 0.90 2.01 -0.07 -4.91 115.64 112.39 1gqh s THR 141 Ca 0.71 -0.93 -0.23 0.00 0.31 0.00 0.00 61.69 61.55 1gqh s THR 141 Cb -0.04 -1.70 -0.13 0.00 0.01 0.00 0.00 72.50 70.64 1gqh s THR 141 CO 0.49 0.53 0.64 -0.46 -0.69 0.00 0.00 174.62 175.13 1gqh n ASN 142 N 3.83 -0.47 -3.89 3.53 6.94 -1.26 -1.01 115.26 122.93 1gqh n ASN 142 Ca -0.20 0.95 -0.25 0.00 -0.02 0.00 0.00 54.58 55.07 1gqh n ASN 142 Cb 0.52 -1.15 -0.17 0.00 -2.36 0.00 0.00 39.78 36.62 1gqh n ASN 142 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1gqh s ALA 143 N -1.40 1.11 -0.03 -2.53 0.00 -0.28 -4.70 121.76 113.93 1gqh s ALA 143 Ca 0.63 -0.38 -0.22 0.00 0.00 0.00 0.00 51.96 51.99 1gqh s ALA 143 Cb -0.62 -0.78 -0.26 0.00 0.00 0.00 0.00 23.12 21.47 1gqh s ALA 143 CO 0.58 -0.31 1.01 1.15 0.00 0.00 0.00 175.76 178.19 1gqh h THR 144 N 6.18 1.50 -6.73 0.00 2.02 -1.93 -3.40 112.91 110.55 1gqh h THR 144 Ca -0.29 -2.19 -0.50 0.00 0.77 0.00 0.00 66.41 64.20 1gqh h THR 144 Cb 1.14 2.85 -0.00 0.00 -1.74 0.00 0.00 68.15 70.40 1gqh h THR 144 CO 0.39 0.62 -1.02 -0.67 0.37 0.00 0.00 175.52 175.21 1gqh n ASP 145 N -4.28 -4.78 -0.28 4.18 -0.08 -1.26 -4.86 116.55 105.19 1gqh n ASP 145 Ca -0.11 -1.04 0.03 0.00 -1.51 0.00 0.00 54.79 52.16 1gqh n ASP 145 Cb 0.66 -1.89 0.17 0.00 2.34 0.00 0.00 41.12 42.40 1gqh n ASP 145 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 1gqh h THR 146 N -1.03 0.86 -0.00 5.18 2.02 -1.98 -1.68 112.91 116.28 1gqh h THR 146 Ca -0.64 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.30 1gqh h THR 146 Cb 1.39 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 1gqh h THR 146 CO 0.41 0.13 -0.01 0.35 0.37 0.00 0.00 175.52 176.77 1gqh n THR 147 N -4.80 0.00 -2.47 3.16 -2.24 -1.26 -4.89 114.28 101.78 1gqh n THR 147 Ca 0.13 -0.03 -0.21 0.00 -2.27 0.00 0.00 64.05 61.67 1gqh n THR 147 Cb 0.30 -0.37 -0.00 0.00 -2.10 0.00 0.00 70.33 68.15 1gqh n THR 147 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1gqh n HIS 148 N -0.95 -1.10 -2.06 4.78 -0.00 -0.63 -4.96 115.22 110.30 1gqh n HIS 148 Ca 0.21 0.06 -0.39 0.00 -0.00 0.00 0.00 57.72 57.59 1gqh n HIS 148 Cb 0.17 -4.02 -0.00 0.00 -0.00 0.00 0.00 29.99 26.14 1gqh n HIS 148 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.34 176.26 1gqh s THR 149 N -3.05 2.63 0.22 1.59 -1.32 -1.26 -4.90 115.64 109.55 1gqh s THR 149 Ca 0.04 0.56 -0.08 0.00 -1.21 0.00 0.00 61.69 61.00 1gqh s THR 149 Cb -0.02 -3.33 0.18 0.00 -1.51 0.00 0.00 72.50 67.83 1gqh s THR 149 CO 0.04 0.08 1.73 -0.65 -2.21 0.00 0.00 174.62 173.61 1gqh h PRO 150 N 2.63 0.37 -3.77 7.08 0.11 -1.95 -3.43 132.00 133.03 1gqh h PRO 150 Ca -0.50 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.51 1gqh h PRO 150 Cb 1.25 -0.08 -0.14 0.00 0.11 0.00 0.00 31.00 32.14 1gqh h PRO 150 CO 0.62 0.24 -0.32 1.52 -0.21 0.00 0.00 178.00 179.85 1gqh s TYR 151 N -6.07 0.15 -0.18 0.65 -0.85 -1.26 -4.65 117.35 105.15 1gqh s TYR 151 Ca -0.13 -0.56 -0.29 0.00 -0.52 0.00 0.00 57.07 55.57 1gqh s TYR 151 Cb 0.19 -0.02 -0.01 0.00 0.38 0.00 0.00 41.96 42.50 1gqh s TYR 151 CO 0.75 -0.60 1.22 0.42 -1.52 0.00 0.00 175.55 175.82 1gqh s ILE 152 N -3.87 4.36 0.32 -3.49 -1.09 -1.26 -4.97 121.20 111.19 1gqh s ILE 152 Ca 0.07 1.64 -0.29 0.00 -2.23 0.00 0.00 60.65 59.84 1gqh s ILE 152 Cb 0.04 -4.06 -0.11 0.00 -1.58 0.00 0.00 42.46 36.75 1gqh s ILE 152 CO -0.09 -0.14 1.50 -2.84 -1.23 0.00 0.00 174.94 172.14 1gqh s PRO 153 N 3.41 4.16 0.00 2.79 0.02 -1.26 -5.03 135.00 139.09 1gqh s PRO 153 Ca 0.53 2.50 0.00 0.00 0.02 0.00 0.00 61.00 64.04 1gqh s PRO 153 Cb -0.20 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.29 1gqh s PRO 153 CO 0.13 -0.52 0.00 0.45 -0.33 0.00 0.00 177.00 176.73 1gqh n SER 154 N 1.43 0.00 0.00 2.53 2.88 -1.26 -5.22 113.62 113.98 1gqh n SER 154 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1gqh n SER 154 Cb 0.39 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.85 1gqh n SER 154 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1gqh n GLY 163 N 0.00 4.67 3.74 0.46 0.00 -1.26 -5.13 105.19 107.68 1gqh n GLY 163 Ca 0.00 -1.06 -0.42 0.00 0.00 0.00 0.00 46.02 44.55 1gqh n GLY 163 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1gqh s PRO 164 N 4.72 4.14 1.09 1.61 0.02 -1.26 -5.01 135.00 140.30 1gqh s PRO 164 Ca 0.00 2.55 -0.17 0.00 0.02 0.00 0.00 61.00 63.40 1gqh s PRO 164 Cb 0.00 -3.04 0.24 0.00 0.02 0.00 0.00 34.50 31.71 1gqh s PRO 164 CO 0.00 -0.63 1.16 0.16 -0.33 0.00 0.00 177.00 177.36 1gqh s ASP 165 N 0.61 1.95 0.21 2.53 1.47 -1.26 -4.63 116.67 117.56 1gqh s ASP 165 Ca 0.65 0.66 -0.10 0.00 1.18 0.00 0.00 52.55 54.94 1gqh s ASP 165 Cb -0.47 -0.95 0.19 0.00 -0.34 0.00 0.00 42.92 41.34 1gqh s ASP 165 CO 0.44 -3.49 1.86 0.77 0.68 0.00 0.00 175.17 175.43 1gqh h SER 166 N -2.15 0.77 -0.79 2.11 4.64 -1.99 -1.80 113.55 114.34 1gqh h SER 166 Ca -0.47 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 60.83 1gqh h SER 166 Cb 1.29 -0.17 -0.04 0.00 -0.31 0.00 0.00 62.40 63.17 1gqh h SER 166 CO 0.42 0.54 0.44 0.28 -0.87 0.00 0.00 176.83 177.63 1gqh h SER 167 N 0.91 0.98 -0.00 4.97 0.02 -1.98 -2.67 113.55 115.78 1gqh h SER 167 Ca 0.29 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 61.14 1gqh h SER 167 Cb -0.01 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 62.28 1gqh h SER 167 CO -0.10 0.79 -0.00 0.74 -1.14 0.00 0.00 176.83 177.12 1gqh h THR 168 N 1.10 1.31 0.00 -2.27 2.02 -1.78 -3.09 112.91 110.21 1gqh h THR 168 Ca 0.28 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 66.53 1gqh h THR 168 Cb 0.02 1.94 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 1gqh h THR 168 CO -0.05 0.24 0.00 -0.29 0.37 0.00 0.00 175.52 175.79 1gqh h ILE 169 N -0.39 0.00 -0.30 3.11 2.10 -1.32 -1.26 117.51 119.44 1gqh h ILE 169 Ca 0.00 -0.15 0.00 0.00 1.08 0.00 0.00 64.86 65.79 1gqh h ILE 169 Cb 0.39 0.92 0.00 0.00 -1.09 0.00 0.00 36.82 37.04 1gqh h ILE 169 CO 0.00 0.00 0.00 -1.20 -1.08 0.00 0.00 178.15 175.87 1gqh n SER 170 N -2.61 2.23 0.00 2.19 7.64 -1.01 -3.94 113.62 118.13 1gqh n SER 170 Ca -0.01 -2.15 0.00 0.00 1.01 0.00 0.00 58.87 57.73 1gqh n SER 170 Cb 0.14 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 1gqh n SER 170 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1gqh n THR 171 N 0.39 0.70 -1.04 0.44 -1.04 -0.48 -4.83 114.28 108.43 1gqh n THR 171 Ca 0.11 -0.73 0.04 0.00 -2.04 0.00 0.00 64.05 61.44 1gqh n THR 171 Cb 0.42 0.66 0.29 0.00 -1.82 0.00 0.00 70.33 69.88 1gqh n THR 171 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1gqh n LEU 172 N -0.35 4.62 -0.33 -4.42 4.77 -1.25 -4.68 117.00 115.35 1gqh n LEU 172 Ca 0.00 -3.12 0.14 0.00 -0.03 0.00 0.00 56.01 53.00 1gqh n LEU 172 Cb 0.30 -0.61 0.33 0.00 -2.33 0.00 0.00 43.42 41.11 1gqh n LEU 172 CO 0.00 0.75 1.14 1.56 -1.33 0.00 0.00 177.39 179.51 1gqh h GLN 173 N 2.24 0.58 0.00 3.23 4.20 -1.87 0.12 115.11 123.62 1gqh h GLN 173 Ca 0.07 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 1gqh h GLN 173 Cb 1.72 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 29.37 1gqh h GLN 173 CO 0.38 0.38 -0.03 1.03 -0.67 0.00 0.00 178.83 179.92 1gqh h SER 174 N 0.60 0.00 -0.70 1.46 0.87 -1.88 0.12 113.55 114.02 1gqh h SER 174 Ca 0.59 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 61.15 1gqh h SER 174 Cb 1.04 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.00 1gqh h SER 174 CO -0.45 0.03 0.00 0.49 -0.53 0.00 0.00 176.83 176.38 1gqh n PHE 175 N -3.64 1.33 -3.28 2.24 3.72 0.41 -4.94 117.46 113.29 1gqh n PHE 175 Ca -0.03 -0.57 -0.16 0.00 -0.05 0.00 0.00 57.45 56.65 1gqh n PHE 175 Cb 0.13 -0.16 0.08 0.00 -0.94 0.00 0.00 39.48 38.59 1gqh n PHE 175 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1gqh n ASP 176 N 1.36 -2.58 -3.92 4.37 2.03 0.42 -4.88 116.55 113.36 1gqh n ASP 176 Ca 0.26 -0.53 -0.25 0.00 0.52 0.00 0.00 54.79 54.78 1gqh n ASP 176 Cb 0.80 -4.53 -0.17 0.00 -0.72 0.00 0.00 41.12 36.50 1gqh n ASP 176 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1gqh s VAL 177 N -3.31 0.94 -0.12 5.18 1.01 -1.11 -4.34 120.40 118.65 1gqh s VAL 177 Ca 0.07 -0.28 0.02 0.00 0.00 0.00 0.00 61.98 61.79 1gqh s VAL 177 Cb -0.03 -0.95 0.01 0.00 0.00 0.00 0.00 36.38 35.42 1gqh s VAL 177 CO 0.64 0.34 -0.16 -0.31 0.00 0.00 0.00 175.10 175.60 1gqh s TYR 178 N 1.39 2.13 0.37 5.22 1.51 -0.24 -3.18 117.35 124.56 1gqh s TYR 178 Ca -0.02 -1.04 -0.27 0.00 -1.01 0.00 0.00 57.07 54.74 1gqh s TYR 178 Cb -0.14 -1.52 -0.09 0.00 -0.11 0.00 0.00 41.96 40.11 1gqh s TYR 178 CO -0.04 -0.52 1.25 0.00 -1.11 0.00 0.00 175.55 175.13 1gqh s ALA 179 N 0.99 3.32 -0.54 3.71 0.00 -1.26 -0.41 121.76 127.58 1gqh s ALA 179 Ca -0.06 1.15 0.07 0.00 0.00 0.00 0.00 51.96 53.12 1gqh s ALA 179 Cb -0.15 -3.45 0.28 0.00 0.00 0.00 0.00 23.12 19.80 1gqh s ALA 179 CO -0.02 -0.64 0.72 0.39 0.00 0.00 0.00 175.76 176.21 1gqh n GLU 180 N 0.41 2.02 0.25 0.00 -0.58 -0.85 -4.83 120.64 117.07 1gqh n GLU 180 Ca 0.02 -4.20 0.17 0.00 -0.42 0.00 0.00 57.16 52.74 1gqh n GLU 180 Cb 0.44 -1.92 0.88 0.00 -0.57 0.00 0.00 31.44 30.26 1gqh n GLU 180 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 1gqh h LEU 181 N 3.79 0.00 -0.50 -4.62 4.07 -1.94 -1.34 115.31 114.78 1gqh h LEU 181 Ca 0.14 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.10 1gqh h LEU 181 Cb 0.72 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.46 1gqh h LEU 181 CO 0.70 0.00 0.00 0.77 -1.08 0.00 0.00 178.44 178.83 1gqh h SER 182 N 0.00 0.00 -2.89 -0.43 4.64 -1.96 -3.45 113.55 109.47 1gqh h SER 182 Ca 0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 1gqh h SER 182 Cb 0.10 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.20 1gqh h SER 182 CO 0.00 0.00 0.84 0.12 -0.87 0.00 0.00 176.83 176.92 1gqh s PHE 183 N -3.33 2.88 -0.26 4.77 5.36 -0.51 -5.01 117.98 121.88 1gqh s PHE 183 Ca 0.06 0.76 0.01 0.00 -0.96 0.00 0.00 56.93 56.79 1gqh s PHE 183 Cb 0.08 -3.73 0.05 0.00 -0.34 0.00 0.00 43.02 39.08 1gqh s PHE 183 CO 0.59 -2.70 -0.08 0.99 -1.46 0.00 0.00 175.22 172.55 1gqh s THR 184 N 2.10 2.49 0.12 0.12 2.01 -1.26 -4.92 115.64 116.30 1gqh s THR 184 Ca 0.66 -1.38 -0.33 0.00 0.31 0.00 0.00 61.69 60.96 1gqh s THR 184 Cb -0.34 -2.37 -0.12 0.00 0.01 0.00 0.00 72.50 69.67 1gqh s THR 184 CO 0.29 0.06 1.74 -2.65 -0.69 0.00 0.00 174.62 173.37 1gqh n PRO 185 N 4.55 2.50 -1.92 4.92 -0.02 -1.26 -4.90 135.00 138.86 1gqh n PRO 185 Ca -0.15 0.91 -0.38 0.00 -2.02 0.00 0.00 63.50 61.86 1gqh n PRO 185 Cb 0.44 -2.75 0.03 0.00 -0.02 0.00 0.00 33.50 31.20 1gqh n PRO 185 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1gqh s ARG 186 N 2.11 3.30 -0.29 -0.52 1.70 -1.26 -4.94 118.95 119.05 1gqh s ARG 186 Ca 0.81 2.10 0.07 0.00 -0.47 0.00 0.00 55.73 58.25 1gqh s ARG 186 Cb -0.58 -2.29 0.45 0.00 -0.57 0.00 0.00 34.95 31.97 1gqh s ARG 186 CO 0.39 -1.02 1.23 0.25 -1.08 0.00 0.00 175.30 175.07 1gqh n THR 187 N -0.90 2.51 -1.47 4.99 -2.24 -1.26 -4.67 114.28 111.24 1gqh n THR 187 Ca 0.10 -3.95 0.03 0.00 -2.27 0.00 0.00 64.05 57.96 1gqh n THR 187 Cb 0.46 -0.94 0.20 0.00 -2.10 0.00 0.00 70.33 67.95 1gqh n THR 187 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1gqh n ASP 188 N -0.81 2.10 -4.71 3.42 5.75 -1.26 -5.04 116.55 115.99 1gqh n ASP 188 Ca 0.40 -3.74 -0.43 0.00 -0.01 0.00 0.00 54.79 51.00 1gqh n ASP 188 Cb 0.91 -0.55 -0.02 0.00 -1.03 0.00 0.00 41.12 40.42 1gqh n ASP 188 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 1gqh n THR 189 N -1.13 0.74 -3.80 2.12 -1.04 -1.26 -4.77 114.28 105.14 1gqh n THR 189 Ca 0.23 -0.19 -0.13 0.00 -2.04 0.00 0.00 64.05 61.93 1gqh n THR 189 Cb 0.80 -1.79 -0.13 0.00 -1.82 0.00 0.00 70.33 67.39 1gqh n THR 189 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1gqh s VAL 190 N 0.25 -0.02 -1.24 12.58 1.01 -0.28 -4.81 120.40 127.89 1gqh s VAL 190 Ca 0.68 0.07 -0.03 0.00 0.00 0.00 0.00 61.98 62.71 1gqh s VAL 190 Cb -0.56 -0.21 0.02 0.00 0.00 0.00 0.00 36.38 35.63 1gqh s VAL 190 CO 0.45 0.03 0.18 0.59 0.00 0.00 0.00 175.10 176.35 1gqh n ASN 191 N 3.48 -4.34 0.00 3.32 3.02 -1.26 -1.45 115.26 118.03 1gqh n ASN 191 Ca -0.18 -0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.36 1gqh n ASN 191 Cb 0.56 -3.63 0.00 0.00 -0.61 0.00 0.00 39.78 36.10 1gqh n ASN 191 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gqh n GLY 192 N -0.99 0.41 3.24 7.41 0.00 -1.26 -4.97 105.19 109.03 1gqh n GLY 192 Ca -0.13 -0.81 -0.11 0.00 0.00 0.00 0.00 46.02 44.97 1gqh n GLY 192 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1gqh s THR 193 N -2.00 0.09 -0.20 2.61 -1.32 -0.53 -0.94 115.64 113.36 1gqh s THR 193 Ca 0.00 -0.75 -0.27 0.00 -1.21 0.00 0.00 61.69 59.46 1gqh s THR 193 Cb 0.00 -1.00 0.08 0.00 -1.51 0.00 0.00 72.50 70.07 1gqh s THR 193 CO 0.00 -0.41 0.77 0.00 -2.21 0.00 0.00 174.62 172.77 1gqh s ALA 194 N -2.79 -1.82 1.07 11.08 0.00 -0.91 -1.13 121.76 127.27 1gqh s ALA 194 Ca -0.03 1.77 -0.16 0.00 0.00 0.00 0.00 51.96 53.54 1gqh s ALA 194 Cb -0.00 -0.84 0.23 0.00 0.00 0.00 0.00 23.12 22.51 1gqh s ALA 194 CO -0.05 -0.33 1.14 -1.25 0.00 0.00 0.00 175.76 175.27 1gqh s PRO 195 N -0.21 -0.16 0.39 0.00 0.04 -1.26 -0.88 135.00 132.92 1gqh s PRO 195 Ca -0.03 0.07 0.09 0.00 0.04 0.00 0.00 61.00 61.17 1gqh s PRO 195 Cb -0.03 -1.71 0.86 0.00 0.04 0.00 0.00 34.50 33.66 1gqh s PRO 195 CO 0.03 -3.03 1.99 0.00 0.04 0.00 0.00 177.00 176.02 1gqh h ALA 196 N -2.10 1.80 -0.10 8.56 0.00 -1.90 -3.13 119.26 122.40 1gqh h ALA 196 Ca -0.48 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 54.20 1gqh h ALA 196 Cb 1.30 -0.15 -0.08 0.00 0.00 0.00 0.00 17.79 18.86 1gqh h ALA 196 CO 0.45 0.10 -0.17 0.27 0.00 0.00 0.00 179.25 179.90 1gqh n ASN 197 N -4.48 5.49 -4.50 0.00 0.23 -1.26 -4.83 115.26 105.92 1gqh n ASN 197 Ca 0.09 -2.60 -0.24 0.00 -0.53 0.00 0.00 54.58 51.30 1gqh n ASN 197 Cb 0.23 -1.33 -0.11 0.00 -2.08 0.00 0.00 39.78 36.50 1gqh n ASN 197 CO 0.00 0.00 0.00 0.42 -0.93 0.00 0.00 177.26 176.75 1gqh s THR 198 N 0.21 1.60 -0.21 5.53 -4.23 -1.18 -5.13 115.64 112.22 1gqh s THR 198 Ca 0.53 -2.04 -0.03 0.00 -1.18 0.00 0.00 61.69 58.97 1gqh s THR 198 Cb 0.27 -2.76 -0.00 0.00 1.34 0.00 0.00 72.50 71.35 1gqh s THR 198 CO -0.03 -0.09 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.19 1gqh s VAL 199 N -3.02 3.03 -0.25 2.29 1.01 -1.26 -5.05 120.40 117.16 1gqh s VAL 199 Ca 0.34 -0.61 -0.02 0.00 0.00 0.00 0.00 61.98 61.69 1gqh s VAL 199 Cb 0.07 -2.36 0.12 0.00 0.00 0.00 0.00 36.38 34.21 1gqh s VAL 199 CO 0.15 0.45 0.27 0.86 0.00 0.00 0.00 175.10 176.83 1gqh s TRP 200 N 1.42 -0.39 -0.17 5.22 -0.00 -1.26 -4.82 118.94 118.94 1gqh s TRP 200 Ca 0.05 0.06 0.00 0.00 -0.00 0.00 0.00 56.10 56.22 1gqh s TRP 200 Cb -0.14 -0.39 0.00 0.00 -0.00 0.00 0.00 33.47 32.94 1gqh s TRP 200 CO -0.06 -0.77 0.00 0.72 -0.00 0.00 0.00 176.95 176.85 1gqh n HIS 201 N 5.32 0.00 -0.15 5.86 8.25 -1.26 -4.83 115.22 128.40 1gqh n HIS 201 Ca -0.04 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.43 1gqh n HIS 201 Cb 0.48 -1.50 0.01 0.00 1.12 0.00 0.00 29.99 30.10 1gqh n HIS 201 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 1gqh n THR 202 N -2.34 1.02 0.00 1.59 -2.24 -1.26 -5.10 114.28 105.94 1gqh n THR 202 Ca -0.02 -1.05 0.00 0.00 -2.27 0.00 0.00 64.05 60.71 1gqh n THR 202 Cb 0.36 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 1gqh n THR 202 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gqh n GLY 203 N -0.55 -0.36 3.77 3.38 0.00 -1.26 -5.09 105.19 105.08 1gqh n GLY 203 Ca 0.01 -1.17 -0.41 0.00 0.00 0.00 0.00 46.02 44.46 1gqh n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gqh s ALA 204 N -2.00 3.50 -0.07 4.61 0.00 -1.26 -4.78 121.76 121.76 1gqh s ALA 204 Ca 0.00 1.41 0.02 0.00 0.00 0.00 0.00 51.96 53.39 1gqh s ALA 204 Cb 0.00 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 1gqh s ALA 204 CO 0.00 -0.88 -0.10 -0.80 0.00 0.00 0.00 175.76 173.99 1gqh s ASN 205 N -0.36 4.41 0.12 0.00 0.02 -0.66 -4.95 114.94 113.53 1gqh s ASN 205 Ca 0.52 -0.10 0.04 0.00 -1.02 0.00 0.00 52.86 52.29 1gqh s ASN 205 Cb -0.43 -1.10 -0.04 0.00 0.02 0.00 0.00 41.25 39.70 1gqh s ASN 205 CO 0.57 0.34 0.14 0.00 0.02 0.00 0.00 177.10 178.18 1gqh s ALA 206 N -0.68 3.66 0.66 0.60 0.00 -1.26 -4.10 121.76 120.64 1gqh s ALA 206 Ca 0.10 -1.09 -0.15 0.00 0.00 0.00 0.00 51.96 50.83 1gqh s ALA 206 Cb -0.11 -1.49 -0.00 0.00 0.00 0.00 0.00 23.12 21.52 1gqh s ALA 206 CO 0.01 0.62 1.10 -0.51 0.00 0.00 0.00 175.76 176.98 1gqh s LEU 207 N -2.83 3.38 0.58 0.00 1.02 -1.26 -4.77 118.68 114.80 1gqh s LEU 207 Ca 0.31 1.94 -0.20 0.00 0.02 0.00 0.00 54.13 56.21 1gqh s LEU 207 Cb -0.11 -4.54 -0.04 0.00 0.02 0.00 0.00 46.19 41.51 1gqh s LEU 207 CO 0.24 -1.57 1.14 0.00 0.02 0.00 0.00 176.35 176.18 1gqh n ALA 208 N -2.44 0.74 0.46 4.21 0.00 -1.26 -4.87 120.51 117.34 1gqh n ALA 208 Ca 0.10 0.05 0.12 0.00 0.00 0.00 0.00 53.44 53.71 1gqh n ALA 208 Cb 0.52 -2.22 0.47 0.00 0.00 0.00 0.00 19.45 18.23 1gqh n ALA 208 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1gqh n SER 209 N -0.97 0.72 -3.73 0.00 7.64 -1.26 -4.83 113.62 111.19 1gqh n SER 209 Ca 0.13 0.64 -0.09 0.00 1.01 0.00 0.00 58.87 60.57 1gqh n SER 209 Cb 0.46 -0.81 -0.02 0.00 -1.01 0.00 0.00 64.21 62.83 1gqh n SER 209 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 1gqh s THR 210 N -3.26 0.00 0.64 0.44 -1.32 -1.26 -5.00 115.64 105.88 1gqh s THR 210 Ca 0.06 -0.71 -0.16 0.00 -1.21 0.00 0.00 61.69 59.67 1gqh s THR 210 Cb 0.10 -1.66 -0.01 0.00 -1.51 0.00 0.00 72.50 69.41 1gqh s THR 210 CO 0.45 -0.02 1.13 0.00 -2.21 0.00 0.00 174.62 173.97 1gqh s ALA 211 N -3.87 2.49 0.00 11.08 0.00 -1.18 -4.05 121.76 126.23 1gqh s ALA 211 Ca 0.08 0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.71 1gqh s ALA 211 Cb -0.04 -3.35 0.00 0.00 0.00 0.00 0.00 23.12 19.74 1gqh s ALA 211 CO -0.00 -1.22 0.00 0.41 0.00 0.00 0.00 175.76 174.95 1gqh n GLY 212 N -0.22 2.45 3.70 0.00 0.00 -1.26 -5.05 105.19 104.81 1gqh n GLY 212 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 1gqh n GLY 212 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1gqh s ASP 213 N -1.35 5.52 0.56 1.61 1.01 -1.26 -4.81 116.67 117.95 1gqh s ASP 213 Ca 0.00 0.18 -0.17 0.00 0.71 0.00 0.00 52.55 53.27 1gqh s ASP 213 Cb 0.00 -1.72 -0.05 0.00 1.01 0.00 0.00 42.92 42.16 1gqh s ASP 213 CO 0.00 0.33 1.04 -2.16 0.21 0.00 0.00 175.17 174.58 1gqh s PRO 214 N -0.57 3.54 0.18 8.23 0.04 -1.26 -4.71 135.00 140.46 1gqh s PRO 214 Ca 0.10 1.16 -0.19 0.00 0.04 0.00 0.00 61.00 62.12 1gqh s PRO 214 Cb -0.12 -2.07 0.04 0.00 0.04 0.00 0.00 34.50 32.39 1gqh s PRO 214 CO 0.02 -0.62 0.54 1.52 0.04 0.00 0.00 177.00 178.49 1gqh s TYR 215 N -2.44 -0.23 0.01 0.56 1.13 -1.11 -4.90 117.35 110.37 1gqh s TYR 215 Ca 0.63 -0.08 0.02 0.00 -1.41 0.00 0.00 57.07 56.23 1gqh s TYR 215 Cb -0.14 0.43 -0.01 0.00 -1.10 0.00 0.00 41.96 41.14 1gqh s TYR 215 CO 0.33 -0.89 -0.07 -0.06 -2.51 0.00 0.00 175.55 172.34 1gqh s PHE 216 N -3.84 0.65 -0.19 -3.49 0.40 -1.26 -0.47 117.98 109.78 1gqh s PHE 216 Ca 0.06 -0.23 -0.01 0.00 -0.60 0.00 0.00 56.93 56.15 1gqh s PHE 216 Cb -0.01 -0.40 0.05 0.00 0.51 0.00 0.00 43.02 43.17 1gqh s PHE 216 CO -0.06 -0.02 -0.02 0.42 0.70 0.00 0.00 175.22 176.23 1gqh s ILE 217 N -0.54 1.02 0.55 0.64 1.01 0.03 -4.77 121.20 119.14 1gqh s ILE 217 Ca -0.01 -0.74 -0.18 0.00 0.00 0.00 0.00 60.65 59.72 1gqh s ILE 217 Cb -0.05 -1.32 -0.06 0.00 0.01 0.00 0.00 42.46 41.05 1gqh s ILE 217 CO 0.00 -0.03 1.08 0.00 0.00 0.00 0.00 174.94 175.99 1gqh s ALA 218 N 1.65 2.74 -0.19 9.38 0.00 -1.26 -1.27 121.76 132.81 1gqh s ALA 218 Ca -0.01 0.63 -0.36 0.00 0.00 0.00 0.00 51.96 52.21 1gqh s ALA 218 Cb -0.17 -3.29 -0.13 0.00 0.00 0.00 0.00 23.12 19.53 1gqh s ALA 218 CO -0.07 -0.68 1.88 -1.71 0.00 0.00 0.00 175.76 175.18 1gqh n ASN 219 N -1.47 2.92 0.00 0.00 5.15 -1.25 -1.45 115.26 119.16 1gqh n ASN 219 Ca 0.10 0.93 0.00 0.00 -0.60 0.00 0.00 54.58 55.01 1gqh n ASN 219 Cb 0.52 -1.28 0.00 0.00 -0.53 0.00 0.00 39.78 38.49 1gqh n ASN 219 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1gqh n GLY 220 N 4.61 0.66 0.12 8.20 0.00 -1.26 -4.90 105.19 112.63 1gqh n GLY 220 Ca 0.26 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.37 1gqh n GLY 220 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1gqh n TRP 221 N -2.52 0.00 -2.42 1.61 7.02 -0.53 -4.88 117.44 115.72 1gqh n TRP 221 Ca 0.00 0.00 -0.25 0.00 -1.02 0.00 0.00 57.50 56.23 1gqh n TRP 221 Cb 0.02 0.00 0.14 0.00 -2.42 0.00 0.00 31.31 29.05 1gqh n TRP 221 CO 0.00 0.00 0.00 0.20 -2.02 0.00 0.00 177.69 175.87 1gqh s GLY 222 N -2.48 1.77 0.52 6.99 0.00 -1.26 -1.65 107.32 111.21 1gqh s GLY 222 Ca 0.09 -1.64 -0.22 0.00 0.00 0.00 0.00 44.72 42.95 1gqh s GLY 222 CO 0.64 -0.99 1.24 2.56 0.00 0.00 0.00 173.10 176.55 1gqh s PRO 223 N -5.37 3.39 0.12 2.90 0.04 -1.26 -4.91 135.00 129.91 1gqh s PRO 223 Ca 0.69 1.95 0.03 0.00 0.04 0.00 0.00 61.00 63.71 1gqh s PRO 223 Cb -0.04 -2.26 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 1gqh s PRO 223 CO 0.47 -0.90 -0.08 0.15 0.04 0.00 0.00 177.00 176.68 1gqh s LYS 224 N -2.89 0.93 -0.02 4.56 1.02 -1.25 -3.88 119.74 118.21 1gqh s LYS 224 Ca 0.69 -1.38 -0.00 0.00 0.02 0.00 0.00 55.97 55.30 1gqh s LYS 224 Cb -0.33 -0.39 0.02 0.00 -0.52 0.00 0.00 37.83 36.61 1gqh s LYS 224 CO 0.39 0.02 0.03 0.71 -0.92 0.00 0.00 175.35 175.58 1gqh s TYR 225 N -3.47 0.01 -0.25 3.18 1.51 -0.25 -1.37 117.35 116.71 1gqh s TYR 225 Ca 0.14 0.11 -0.10 0.00 -1.01 0.00 0.00 57.07 56.20 1gqh s TYR 225 Cb 0.04 -0.16 -0.05 0.00 -0.11 0.00 0.00 41.96 41.69 1gqh s TYR 225 CO -0.02 -0.07 0.15 -1.17 -1.11 0.00 0.00 175.55 173.33 1gqh s LEU 226 N 0.74 3.96 -0.16 -1.29 2.96 0.29 -1.28 118.68 123.90 1gqh s LEU 226 Ca -0.06 0.02 -0.05 0.00 -0.22 0.00 0.00 54.13 53.82 1gqh s LEU 226 Cb -0.09 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.50 1gqh s LEU 226 CO -0.02 0.03 0.01 0.21 -1.32 0.00 0.00 176.35 175.26 1gqh s ASN 227 N 1.29 5.22 -0.07 3.68 3.84 0.51 -1.32 114.94 128.08 1gqh s ASN 227 Ca 0.07 -0.01 0.13 0.00 0.21 0.00 0.00 52.86 53.26 1gqh s ASN 227 Cb -0.14 -1.84 0.37 0.00 -0.55 0.00 0.00 41.25 39.09 1gqh s ASN 227 CO 0.06 0.19 1.30 -1.20 -2.79 0.00 0.00 177.10 174.66 1gqh n SER 228 N 3.38 3.22 0.01 -4.21 7.64 -1.26 -1.16 113.62 121.24 1gqh n SER 228 Ca -0.17 -2.43 -0.16 0.00 1.01 0.00 0.00 58.87 57.13 1gqh n SER 228 Cb 0.52 -0.34 -0.05 0.00 -1.01 0.00 0.00 64.21 63.33 1gqh n SER 228 CO 0.00 0.00 0.00 -0.61 -3.01 0.00 0.00 175.04 171.42 1gqh h GLN 229 N 1.75 0.66 -1.78 1.43 4.15 -1.94 -3.37 115.11 116.01 1gqh h GLN 229 Ca 0.00 -0.57 -0.50 0.00 0.77 0.00 0.00 58.65 58.35 1gqh h GLN 229 Cb 1.00 0.13 -0.41 0.00 0.21 0.00 0.00 27.48 28.41 1gqh h GLN 229 CO 0.09 1.19 -0.98 0.66 -1.93 0.00 0.00 178.83 177.85 1gqh n TYR 230 N -3.89 1.91 -2.81 3.99 4.01 -1.26 -5.00 117.16 114.11 1gqh n TYR 230 Ca -0.07 -3.53 0.00 0.00 -0.16 0.00 0.00 57.90 54.14 1gqh n TYR 230 Cb 0.76 -0.38 0.00 0.00 -0.31 0.00 0.00 39.34 39.41 1gqh n TYR 230 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1gqh n GLY 231 N -0.05 -1.84 3.69 2.72 0.00 -1.26 -4.76 105.19 103.70 1gqh n GLY 231 Ca 0.25 -1.58 -0.35 0.00 0.00 0.00 0.00 46.02 44.34 1gqh n GLY 231 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1gqh s TYR 232 N 0.00 3.34 -0.01 1.61 2.02 -1.26 -4.14 117.35 118.92 1gqh s TYR 232 Ca 0.00 0.22 0.02 0.00 -0.37 0.00 0.00 57.07 56.94 1gqh s TYR 232 Cb 0.00 -2.10 -0.00 0.00 -0.40 0.00 0.00 41.96 39.46 1gqh s TYR 232 CO 0.00 0.26 -0.07 -0.65 -1.57 0.00 0.00 175.55 173.52 1gqh s GLN 233 N 0.23 0.57 -0.21 -0.62 -0.21 -0.31 -0.63 119.66 118.48 1gqh s GLN 233 Ca 0.06 -0.24 0.02 0.00 0.02 0.00 0.00 55.36 55.22 1gqh s GLN 233 Cb -0.12 -0.55 0.04 0.00 1.00 0.00 0.00 33.01 33.38 1gqh s GLN 233 CO -0.01 0.14 -0.16 0.42 -2.12 0.00 0.00 175.29 173.56 1gqh s ILE 234 N -0.12 2.13 -0.14 1.08 1.01 0.55 -0.36 121.20 125.35 1gqh s ILE 234 Ca 0.02 -1.21 -0.11 0.00 0.00 0.00 0.00 60.65 59.35 1gqh s ILE 234 Cb -0.03 -2.04 -0.05 0.00 0.01 0.00 0.00 42.46 40.35 1gqh s ILE 234 CO -0.00 0.31 0.22 -0.69 0.00 0.00 0.00 174.94 174.78 1gqh s VAL 235 N 1.22 5.36 -0.39 2.92 1.01 -0.40 0.13 120.40 130.25 1gqh s VAL 235 Ca -0.00 0.39 0.03 0.00 0.00 0.00 0.00 61.98 62.40 1gqh s VAL 235 Cb -0.16 -3.54 0.11 0.00 0.00 0.00 0.00 36.38 32.80 1gqh s VAL 235 CO -0.10 0.49 0.12 0.00 0.00 0.00 0.00 175.10 175.60 1gqh s ALA 236 N -0.13 2.83 0.31 5.51 0.00 -0.31 -1.09 121.76 128.88 1gqh s ALA 236 Ca 0.15 -2.64 -0.29 0.00 0.00 0.00 0.00 51.96 49.17 1gqh s ALA 236 Cb -0.13 -1.98 -0.12 0.00 0.00 0.00 0.00 23.12 20.90 1gqh s ALA 236 CO 0.03 -1.79 1.52 -2.30 0.00 0.00 0.00 175.76 173.22 1gqh n PRO 237 N 3.99 2.55 -0.06 0.00 -0.02 -1.25 -1.83 135.00 138.38 1gqh n PRO 237 Ca 0.04 0.90 -0.07 0.00 -2.02 0.00 0.00 63.50 62.35 1gqh n PRO 237 Cb 0.39 -2.64 -0.06 0.00 -0.02 0.00 0.00 33.50 31.18 1gqh n PRO 237 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1gqh n PHE 238 N 1.52 0.00 -3.88 6.00 3.72 -0.01 -4.78 117.46 120.03 1gqh n PHE 238 Ca 0.07 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.26 1gqh n PHE 238 Cb 0.36 -0.45 -0.17 0.00 -0.94 0.00 0.00 39.48 38.29 1gqh n PHE 238 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 176.76 176.79 1gqh s VAL 239 N -2.23 0.29 0.42 -4.37 1.01 -0.59 -4.95 120.40 109.98 1gqh s VAL 239 Ca -0.14 0.10 0.01 0.00 0.00 0.00 0.00 61.98 61.96 1gqh s VAL 239 Cb 0.04 -0.42 0.01 0.00 0.00 0.00 0.00 36.38 36.01 1gqh s VAL 239 CO 0.29 0.21 0.09 0.35 0.00 0.00 0.00 175.10 176.04 1gqh n THR 240 N 4.67 0.00 -0.34 3.92 -2.24 -1.26 -1.87 114.28 117.17 1gqh n THR 240 Ca -0.15 -1.90 0.13 0.00 -2.27 0.00 0.00 64.05 59.85 1gqh n THR 240 Cb 0.50 0.25 0.34 0.00 -2.10 0.00 0.00 70.33 69.32 1gqh n THR 240 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1gqh h ALA 241 N 1.07 1.73 -0.55 6.98 0.00 -1.92 0.81 119.26 127.38 1gqh h ALA 241 Ca -0.33 0.06 0.10 0.00 0.00 0.00 0.00 54.91 54.74 1gqh h ALA 241 Cb 1.04 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.64 1gqh h ALA 241 CO 0.54 -0.06 0.08 1.15 0.00 0.00 0.00 179.25 180.96 1gqh h THR 242 N 0.76 0.64 0.13 0.00 2.02 -1.96 -0.67 112.91 113.83 1gqh h THR 242 Ca 0.54 -0.07 -0.31 0.00 0.77 0.00 0.00 66.41 67.34 1gqh h THR 242 Cb 0.85 0.42 -0.00 0.00 -1.74 0.00 0.00 68.15 67.67 1gqh h THR 242 CO -0.32 0.04 -1.57 1.56 0.37 0.00 0.00 175.52 175.59 1gqh h GLN 243 N 0.21 0.27 0.07 6.66 7.50 -1.50 -3.12 115.11 125.20 1gqh h GLN 243 Ca 0.28 -0.47 -0.28 0.00 0.50 0.00 0.00 58.65 58.68 1gqh h GLN 243 Cb 0.42 0.17 0.02 0.00 0.05 0.00 0.00 27.48 28.15 1gqh h GLN 243 CO -0.40 1.14 -1.16 0.00 -1.50 0.00 0.00 178.83 176.92 1gqh h ALA 244 N 0.43 0.07 -0.22 3.87 0.00 -0.82 -3.41 119.26 119.18 1gqh h ALA 244 Ca -0.26 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 53.90 1gqh h ALA 244 Cb 2.03 0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.90 1gqh h ALA 244 CO 0.16 0.71 0.00 1.04 0.00 0.00 0.00 179.25 181.16 1gqh n GLN 245 N -3.80 0.00 0.12 0.00 1.13 -0.27 -1.24 117.38 113.33 1gqh n GLN 245 Ca -0.12 0.00 0.11 0.00 -1.94 0.00 0.00 57.00 55.05 1gqh n GLN 245 Cb 0.94 0.00 0.49 0.00 0.11 0.00 0.00 30.24 31.78 1gqh n GLN 245 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 1gqh n ASP 246 N 3.18 0.59 0.23 1.08 5.75 -1.26 -0.98 116.55 125.14 1gqh n ASP 246 Ca 0.00 0.67 0.16 0.00 -0.01 0.00 0.00 54.79 55.60 1gqh n ASP 246 Cb 0.00 -0.79 0.64 0.00 -1.03 0.00 0.00 41.12 39.95 1gqh n ASP 246 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 1gqh h THR 247 N 0.00 0.00 -5.80 2.12 1.35 -1.55 -3.47 112.91 105.55 1gqh h THR 247 Ca 0.00 -0.38 -0.31 0.00 -0.55 0.00 0.00 66.41 65.17 1gqh h THR 247 Cb 0.29 1.27 0.13 0.00 -1.73 0.00 0.00 68.15 68.11 1gqh h THR 247 CO 0.00 0.00 -0.83 -3.20 -0.25 0.00 0.00 175.52 171.24 1gqh n ASN 248 N -2.77 -6.17 -3.83 5.36 5.15 -0.15 -4.88 115.26 107.97 1gqh n ASN 248 Ca 0.01 -0.79 -0.08 0.00 -0.60 0.00 0.00 54.58 53.12 1gqh n ASN 248 Cb 0.26 -4.37 -0.03 0.00 -0.53 0.00 0.00 39.78 35.11 1gqh n ASN 248 CO 0.00 0.00 0.00 -0.72 1.40 0.00 0.00 177.26 177.94 1gqh s TYR 249 N -3.37 -0.08 0.21 1.20 1.13 -1.23 -0.53 117.35 114.67 1gqh s TYR 249 Ca 0.42 -0.32 0.07 0.00 -1.41 0.00 0.00 57.07 55.83 1gqh s TYR 249 Cb -0.10 0.52 -0.05 0.00 -1.10 0.00 0.00 41.96 41.23 1gqh s TYR 249 CO 0.80 -1.09 -0.12 0.95 -2.51 0.00 0.00 175.55 173.58 1gqh s THR 250 N -3.92 1.58 -0.12 -3.49 -4.23 0.19 -4.54 115.64 101.11 1gqh s THR 250 Ca 0.12 -2.16 -0.15 0.00 -1.18 0.00 0.00 61.69 58.32 1gqh s THR 250 Cb -0.03 -2.08 0.04 0.00 1.34 0.00 0.00 72.50 71.76 1gqh s THR 250 CO 0.04 -0.57 0.40 -0.22 -0.54 0.00 0.00 174.62 173.73 1gqh s LEU 251 N -3.31 0.47 0.00 4.79 2.96 -0.78 -1.91 118.68 120.90 1gqh s LEU 251 Ca 0.23 0.68 -0.20 0.00 -0.22 0.00 0.00 54.13 54.63 1gqh s LEU 251 Cb 0.01 1.42 0.07 0.00 0.50 0.00 0.00 46.19 48.19 1gqh s LEU 251 CO 0.06 -0.22 0.92 -1.54 -1.32 0.00 0.00 176.35 174.25 1gqh n SER 252 N 2.49 -1.26 -4.68 3.68 3.41 -0.65 -0.83 113.62 115.78 1gqh n SER 252 Ca -0.15 -1.55 -0.30 0.00 -0.26 0.00 0.00 58.87 56.61 1gqh n SER 252 Cb 0.57 2.02 -0.08 0.00 -0.26 0.00 0.00 64.21 66.46 1gqh n SER 252 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1gqh s THR 253 N -2.11 4.00 -0.17 6.66 -4.23 -0.76 -0.31 115.64 118.71 1gqh s THR 253 Ca 0.21 -0.95 0.01 0.00 -1.18 0.00 0.00 61.69 59.78 1gqh s THR 253 Cb -0.02 -2.88 0.03 0.00 1.34 0.00 0.00 72.50 70.97 1gqh s THR 253 CO 0.03 0.16 -0.13 -0.63 -0.54 0.00 0.00 174.62 173.51 1gqh s ILE 254 N -1.27 1.59 0.07 2.99 1.01 -0.39 -1.16 121.20 124.05 1gqh s ILE 254 Ca 0.25 -0.77 -0.07 0.00 0.00 0.00 0.00 60.65 60.06 1gqh s ILE 254 Cb -0.12 -1.56 -0.05 0.00 0.01 0.00 0.00 42.46 40.74 1gqh s ILE 254 CO 0.17 0.35 0.35 -0.44 0.00 0.00 0.00 174.94 175.37 1gqh s SER 255 N 1.46 6.55 0.02 3.58 0.01 0.12 -1.88 113.70 123.56 1gqh s SER 255 Ca 0.03 0.65 0.02 0.00 1.31 0.00 0.00 55.95 57.96 1gqh s SER 255 Cb -0.14 -2.12 -0.02 0.00 0.21 0.00 0.00 66.02 63.95 1gqh s SER 255 CO -0.10 0.17 -0.07 -0.04 0.41 0.00 0.00 173.24 173.61 1gqh s MET 256 N -2.06 0.50 0.69 12.44 1.00 0.81 -0.33 119.30 132.36 1gqh s MET 256 Ca 0.33 -0.52 0.01 0.00 0.00 0.00 0.00 55.69 55.52 1gqh s MET 256 Cb -0.13 -0.37 0.12 0.00 0.00 0.00 0.00 34.83 34.44 1gqh s MET 256 CO 0.19 0.09 0.96 -1.54 0.00 0.00 0.00 175.02 174.71 1gqh s SER 257 N -0.94 4.48 1.03 3.03 1.04 0.19 -1.99 113.70 120.55 1gqh s SER 257 Ca -0.04 -0.45 -0.14 0.00 0.48 0.00 0.00 55.95 55.80 1gqh s SER 257 Cb -0.07 0.03 0.20 0.00 0.10 0.00 0.00 66.02 66.29 1gqh s SER 257 CO 0.00 -1.77 1.12 0.42 0.98 0.00 0.00 173.24 173.99 1gqh s THR 258 N -3.05 1.91 -0.23 2.02 -4.23 -1.25 -4.28 115.64 106.52 1gqh s THR 258 Ca 0.65 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 61.06 1gqh s THR 258 Cb -0.05 -2.57 -0.05 0.00 1.34 0.00 0.00 72.50 71.17 1gqh s THR 258 CO 0.43 0.00 0.16 -0.89 -0.54 0.00 0.00 174.62 173.78 1gqh s THR 259 N -3.08 5.37 0.66 3.99 2.01 -1.26 -4.49 115.64 118.83 1gqh s THR 259 Ca 0.67 0.19 -0.18 0.00 0.31 0.00 0.00 61.69 62.68 1gqh s THR 259 Cb -0.15 -3.50 -0.01 0.00 0.01 0.00 0.00 72.50 68.85 1gqh s THR 259 CO 0.56 0.36 1.29 -2.84 -0.69 0.00 0.00 174.62 173.30 1gqh s PRO 260 N 0.94 2.50 0.64 4.92 0.02 -1.26 -4.88 135.00 137.88 1gqh s PRO 260 Ca 0.08 2.06 0.38 0.00 0.02 0.00 0.00 61.00 63.53 1gqh s PRO 260 Cb -0.13 -1.84 2.14 0.00 0.02 0.00 0.00 34.50 34.69 1gqh s PRO 260 CO 0.03 -1.64 2.30 0.66 -0.33 0.00 0.00 177.00 178.03 1gqh h SER 261 N 0.47 0.00 -0.33 2.53 4.64 -2.04 -1.56 113.55 117.25 1gqh h SER 261 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1gqh h SER 261 Cb 1.34 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1gqh h SER 261 CO 0.53 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.84 1gqh n THR 262 N -3.40 0.43 -5.02 2.95 -2.24 -1.26 -4.82 114.28 100.92 1gqh n THR 262 Ca -0.03 -0.56 -0.32 0.00 -2.27 0.00 0.00 64.05 60.87 1gqh n THR 262 Cb 0.10 0.54 -0.16 0.00 -2.10 0.00 0.00 70.33 68.71 1gqh n THR 262 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1gqh s VAL 263 N -1.57 2.54 -0.10 2.28 1.01 -0.59 -5.10 120.40 118.87 1gqh s VAL 263 Ca 0.34 -0.86 -0.30 0.00 0.00 0.00 0.00 61.98 61.17 1gqh s VAL 263 Cb 0.19 -2.01 -0.01 0.00 0.00 0.00 0.00 36.38 34.54 1gqh s VAL 263 CO 0.27 0.55 1.04 -0.89 0.00 0.00 0.00 175.10 176.06 1gqh s THR 264 N 0.21 4.71 -0.06 3.92 2.01 -1.26 -4.73 115.64 120.44 1gqh s THR 264 Ca -0.12 1.98 -0.30 0.00 0.31 0.00 0.00 61.69 63.57 1gqh s THR 264 Cb -0.16 -4.27 -0.06 0.00 0.01 0.00 0.00 72.50 68.01 1gqh s THR 264 CO 0.06 0.00 1.82 -0.69 -0.69 0.00 0.00 174.62 175.12 1gqh s VAL 265 N 2.06 3.34 0.68 3.82 1.01 -1.26 -4.94 120.40 125.11 1gqh s VAL 265 Ca 0.49 0.40 -0.15 0.00 0.00 0.00 0.00 61.98 62.73 1gqh s VAL 265 Cb -0.19 -3.29 0.01 0.00 0.00 0.00 0.00 36.38 32.91 1gqh s VAL 265 CO 0.18 -0.07 1.13 -2.16 0.00 0.00 0.00 175.10 174.18 1gqh s PRO 266 N 4.51 2.63 -0.15 2.72 0.04 -1.26 -5.01 135.00 138.49 1gqh s PRO 266 Ca 0.81 1.44 -0.07 0.00 0.04 0.00 0.00 61.00 63.23 1gqh s PRO 266 Cb -0.35 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.22 1gqh s PRO 266 CO 0.34 -1.39 0.10 0.99 0.04 0.00 0.00 177.00 177.08 1gqh s THR 267 N -2.31 5.19 0.16 1.26 2.01 -1.26 -4.56 115.64 116.12 1gqh s THR 267 Ca 0.68 0.10 0.10 0.00 0.31 0.00 0.00 61.69 62.87 1gqh s THR 267 Cb -0.22 -3.29 -0.04 0.00 0.01 0.00 0.00 72.50 68.96 1gqh s THR 267 CO 0.43 0.55 -0.16 0.26 -0.69 0.00 0.00 174.62 175.00 1gqh s TRP 268 N -0.42 2.52 -0.30 4.92 0.52 -0.05 -4.95 118.94 121.18 1gqh s TRP 268 Ca 0.11 -0.27 0.00 0.00 0.02 0.00 0.00 56.10 55.96 1gqh s TRP 268 Cb -0.12 -1.27 0.19 0.00 -1.15 0.00 0.00 33.47 31.12 1gqh s TRP 268 CO 0.02 0.46 0.59 0.45 0.02 0.00 0.00 176.95 178.48 1gqh s SER 269 N -2.52 -1.37 0.17 2.95 0.15 -1.26 -1.14 113.70 110.67 1gqh s SER 269 Ca 0.21 0.73 0.06 0.00 0.70 0.00 0.00 55.95 57.64 1gqh s SER 269 Cb -0.09 2.10 -0.04 0.00 -1.71 0.00 0.00 66.02 66.28 1gqh s SER 269 CO 0.12 -0.27 0.10 -0.36 1.20 0.00 0.00 173.24 174.03 1gqh s PHE 270 N 2.84 3.08 0.23 3.44 0.08 -1.26 -4.86 117.98 121.53 1gqh s PHE 270 Ca 0.19 -0.04 -0.06 0.00 0.12 0.00 0.00 56.93 57.13 1gqh s PHE 270 Cb -0.14 -1.48 0.36 0.00 -0.57 0.00 0.00 43.02 41.19 1gqh s PHE 270 CO -0.22 0.52 1.79 -1.35 -0.10 0.00 0.00 175.22 175.86 1gqh h PRO 271 N 2.48 0.65 -6.22 0.24 0.11 -1.92 0.50 132.00 127.84 1gqh h PRO 271 Ca -0.47 -0.04 -0.55 0.00 0.11 0.00 0.00 66.00 65.04 1gqh h PRO 271 Cb 1.20 -0.15 -0.09 0.00 0.11 0.00 0.00 31.00 32.08 1gqh h PRO 271 CO 0.62 0.43 -0.63 0.20 -0.21 0.00 0.00 178.00 178.41 1gqh s GLY 272 N -3.23 1.61 0.72 -0.55 0.00 -1.26 -4.24 107.32 100.37 1gqh s GLY 272 Ca -0.12 -1.59 -0.16 0.00 0.00 0.00 0.00 44.72 42.85 1gqh s GLY 272 CO 0.77 -1.64 1.16 0.00 0.00 0.00 0.00 173.10 173.39 1gqh n ALA 273 N -0.88 0.35 -3.11 3.20 0.00 -1.26 -3.90 120.51 114.91 1gqh n ALA 273 Ca -0.07 -0.16 -0.09 0.00 0.00 0.00 0.00 53.44 53.12 1gqh n ALA 273 Cb 0.58 -2.23 -0.05 0.00 0.00 0.00 0.00 19.45 17.75 1gqh n ALA 273 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gqh s ALA 275 N -3.99 -1.55 0.04 0.00 0.00 -0.47 -0.11 121.76 115.67 1gqh s ALA 275 Ca 0.20 0.38 -0.17 0.00 0.00 0.00 0.00 51.96 52.37 1gqh s ALA 275 Cb -0.00 0.81 0.03 0.00 0.00 0.00 0.00 23.12 23.96 1gqh s ALA 275 CO 0.06 -0.83 0.38 -0.59 0.00 0.00 0.00 175.76 174.79 1gqh s PHE 276 N -3.69 -0.23 -0.14 0.00 -0.12 -0.72 -0.97 117.98 112.12 1gqh s PHE 276 Ca 0.04 0.18 0.02 0.00 -0.05 0.00 0.00 56.93 57.12 1gqh s PHE 276 Cb -0.02 0.18 0.00 0.00 -0.63 0.00 0.00 43.02 42.55 1gqh s PHE 276 CO -0.08 -0.54 -0.19 -1.14 -0.05 0.00 0.00 175.22 173.22 1gqh s GLN 277 N -2.38 3.14 0.14 1.99 0.74 -0.12 -1.13 119.66 122.04 1gqh s GLN 277 Ca -0.06 -0.80 -0.31 0.00 0.05 0.00 0.00 55.36 54.24 1gqh s GLN 277 Cb -0.01 -2.50 -0.08 0.00 1.10 0.00 0.00 33.01 31.52 1gqh s GLN 277 CO -0.02 0.07 1.39 0.08 -0.55 0.00 0.00 175.29 176.26 1gqh s VAL 278 N 0.65 3.19 -0.23 1.34 1.01 -0.30 -0.73 120.40 125.33 1gqh s VAL 278 Ca -0.10 0.89 -0.04 0.00 0.00 0.00 0.00 61.98 62.73 1gqh s VAL 278 Cb -0.16 -3.57 -0.13 0.00 0.00 0.00 0.00 36.38 32.52 1gqh s VAL 278 CO 0.02 0.09 -0.24 0.00 0.00 0.00 0.00 175.10 174.96 1gqh n GLN 279 N 3.60 0.53 -4.06 2.72 1.13 0.86 -0.62 117.38 121.54 1gqh n GLN 279 Ca 0.10 0.17 -0.13 0.00 -1.94 0.00 0.00 57.00 55.20 1gqh n GLN 279 Cb 0.42 -1.40 -0.13 0.00 0.11 0.00 0.00 30.24 29.24 1gqh n GLN 279 CO 0.00 0.00 0.00 -2.00 -1.44 0.00 0.00 177.06 173.62 1gqh s GLU 280 N -2.44 0.38 0.64 -1.09 2.12 -0.22 -4.71 118.70 113.37 1gqh s GLU 280 Ca -0.31 -0.39 0.00 0.00 0.36 0.00 0.00 54.97 54.62 1gqh s GLU 280 Cb 0.10 -0.24 0.00 0.00 0.26 0.00 0.00 34.13 34.25 1gqh s GLU 280 CO 0.47 0.05 0.00 0.41 -0.54 0.00 0.00 175.26 175.66 1gqh n GLY 281 N 2.32 -1.58 2.69 -1.50 0.00 -1.26 -0.55 105.19 105.31 1gqh n GLY 281 Ca -0.17 -1.78 -0.19 0.00 0.00 0.00 0.00 46.02 43.88 1gqh n GLY 281 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1gqh s ARG 282 N 0.00 -0.06 -0.08 1.61 0.52 -1.26 -4.32 118.95 115.36 1gqh s ARG 282 Ca 0.00 0.34 0.02 0.00 -0.52 0.00 0.00 55.73 55.57 1gqh s ARG 282 Cb 0.00 -0.48 0.01 0.00 0.52 0.00 0.00 34.95 35.01 1gqh s ARG 282 CO 0.00 -0.30 -0.13 0.08 0.02 0.00 0.00 175.30 174.97 1gqh s VAL 283 N 1.98 1.21 -0.13 3.52 1.01 -0.61 -1.05 120.40 126.34 1gqh s VAL 283 Ca 0.03 -0.50 -0.13 0.00 0.00 0.00 0.00 61.98 61.37 1gqh s VAL 283 Cb -0.12 -1.12 -0.05 0.00 0.00 0.00 0.00 36.38 35.09 1gqh s VAL 283 CO -0.03 0.38 0.30 -0.69 0.00 0.00 0.00 175.10 175.06 1gqh s VAL 284 N 0.84 5.28 -0.07 2.92 1.01 -0.15 0.75 120.40 130.98 1gqh s VAL 284 Ca -0.11 0.57 0.02 0.00 0.00 0.00 0.00 61.98 62.46 1gqh s VAL 284 Cb -0.15 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.61 1gqh s VAL 284 CO 0.02 0.44 -0.13 0.54 0.00 0.00 0.00 175.10 175.96 1gqh s VAL 285 N 0.11 1.19 -0.31 2.92 0.11 0.16 -1.47 120.40 123.11 1gqh s VAL 285 Ca 0.18 -0.51 0.03 0.00 -2.93 0.00 0.00 61.98 58.75 1gqh s VAL 285 Cb -0.13 -1.09 0.09 0.00 -1.53 0.00 0.00 36.38 33.71 1gqh s VAL 285 CO 0.05 0.37 0.01 -1.58 -3.33 0.00 0.00 175.10 170.62 1gqh s GLN 286 N 0.69 1.60 -0.18 1.54 0.74 0.17 -1.03 119.66 123.20 1gqh s GLN 286 Ca -0.14 -1.58 -0.05 0.00 0.05 0.00 0.00 55.36 53.64 1gqh s GLN 286 Cb -0.16 -2.95 -0.03 0.00 1.10 0.00 0.00 33.01 30.98 1gqh s GLN 286 CO 0.03 -0.82 -0.01 0.42 -0.55 0.00 0.00 175.29 174.36 1gqh s ILE 287 N 1.07 3.99 0.00 -2.34 1.01 -1.26 -0.84 121.20 122.83 1gqh s ILE 287 Ca 0.04 -0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.38 1gqh s ILE 287 Cb -0.19 -2.78 0.00 0.00 0.01 0.00 0.00 42.46 39.50 1gqh s ILE 287 CO -0.09 0.46 0.00 0.61 0.00 0.00 0.00 174.94 175.92 1gqh n GLY 288 N 3.84 3.39 0.50 6.18 0.00 -0.07 -0.69 105.19 118.33 1gqh n GLY 288 Ca -0.17 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 45.88 1gqh n GLY 288 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1gqh n ASP 289 N 4.09 1.51 -4.82 1.61 5.68 -1.26 -4.96 116.55 118.40 1gqh n ASP 289 Ca 0.00 -1.61 -0.30 0.00 -0.50 0.00 0.00 54.79 52.38 1gqh n ASP 289 Cb 0.00 -0.06 0.09 0.00 -1.14 0.00 0.00 41.12 40.00 1gqh n ASP 289 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 1gqh s TYR 290 N -1.87 2.91 0.37 2.11 2.02 0.13 -5.02 117.35 118.00 1gqh s TYR 290 Ca 0.34 1.09 -0.25 0.00 -0.37 0.00 0.00 57.07 57.89 1gqh s TYR 290 Cb 0.19 -3.15 -0.09 0.00 -0.40 0.00 0.00 41.96 38.51 1gqh s TYR 290 CO 0.29 -1.70 1.07 0.00 -1.57 0.00 0.00 175.55 173.63 1gqh s ALA 291 N -3.22 3.16 0.09 3.71 0.00 -1.26 -4.38 121.76 119.85 1gqh s ALA 291 Ca 0.61 0.76 -0.32 0.00 0.00 0.00 0.00 51.96 53.01 1gqh s ALA 291 Cb -0.14 -3.29 -0.11 0.00 0.00 0.00 0.00 23.12 19.58 1gqh s ALA 291 CO 0.53 -0.22 1.85 0.00 0.00 0.00 0.00 175.76 177.92 1gqh n ALA 292 N 0.21 1.87 -2.98 0.00 0.00 -1.26 -4.64 120.51 113.71 1gqh n ALA 292 Ca 0.04 0.30 -0.26 0.00 0.00 0.00 0.00 53.44 53.52 1gqh n ALA 292 Cb 0.48 -2.58 -0.16 0.00 0.00 0.00 0.00 19.45 17.19 1gqh n ALA 292 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1gqh s THR 293 N 3.05 1.41 -0.19 0.00 2.01 -0.19 -4.92 115.64 116.81 1gqh s THR 293 Ca 0.84 -0.70 -0.17 0.00 0.31 0.00 0.00 61.69 61.98 1gqh s THR 293 Cb -0.51 -1.22 -0.04 0.00 0.01 0.00 0.00 72.50 70.74 1gqh s THR 293 CO 0.40 0.41 0.43 -0.70 -0.69 0.00 0.00 174.62 174.47 1gqh s GLU 294 N 0.12 4.19 -0.08 4.92 2.12 -1.26 -0.67 118.70 128.04 1gqh s GLU 294 Ca -0.06 0.28 -0.01 0.00 0.36 0.00 0.00 54.97 55.54 1gqh s GLU 294 Cb -0.12 -3.53 -0.03 0.00 0.26 0.00 0.00 34.13 30.71 1gqh s GLU 294 CO 0.03 -0.04 -0.03 -0.51 -0.54 0.00 0.00 175.26 174.17 1gqh s LEU 295 N 1.32 3.41 0.00 2.70 1.02 0.23 -4.91 118.68 122.44 1gqh s LEU 295 Ca 0.21 0.06 0.00 0.00 0.02 0.00 0.00 54.13 54.42 1gqh s LEU 295 Cb -0.15 -1.77 0.00 0.00 0.02 0.00 0.00 46.19 44.29 1gqh s LEU 295 CO 0.09 0.36 0.00 0.61 0.02 0.00 0.00 176.35 177.42 1gqh n GLY 296 N 2.28 4.31 3.68 -3.19 0.00 -1.26 -1.57 105.19 109.43 1gqh n GLY 296 Ca -0.18 -2.14 -0.54 0.00 0.00 0.00 0.00 46.02 43.16 1gqh n GLY 296 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gqh n SER 297 N -1.11 2.59 0.00 1.61 3.41 -1.26 -1.48 113.62 117.39 1gqh n SER 297 Ca 0.00 1.06 0.00 0.00 -0.26 0.00 0.00 58.87 59.67 1gqh n SER 297 Cb 0.00 -1.23 0.00 0.00 -0.26 0.00 0.00 64.21 62.72 1gqh n SER 297 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1gqh n GLY 298 N 3.94 2.56 3.77 5.00 0.00 0.21 -4.62 105.19 116.04 1gqh n GLY 298 Ca 0.24 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.89 1gqh n GLY 298 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1gqh s ASP 299 N -2.52 5.84 -0.03 1.61 1.01 -0.55 -3.96 116.67 118.07 1gqh s ASP 299 Ca 0.00 2.35 0.06 0.00 0.71 0.00 0.00 52.55 55.67 1gqh s ASP 299 Cb 0.00 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.31 1gqh s ASP 299 CO 0.00 -1.15 -0.21 -0.69 0.21 0.00 0.00 175.17 173.33 1gqh s VAL 300 N -1.56 1.70 -0.06 -1.27 1.01 -0.42 -1.15 120.40 118.65 1gqh s VAL 300 Ca 0.68 -0.90 0.06 0.00 0.00 0.00 0.00 61.98 61.82 1gqh s VAL 300 Cb -0.30 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 1gqh s VAL 300 CO 0.35 0.48 -0.25 0.00 0.00 0.00 0.00 175.10 175.68 1gqh s ALA 301 N -0.32 2.17 -0.12 5.51 0.00 -0.29 -1.67 121.76 127.05 1gqh s ALA 301 Ca 0.03 -1.04 0.02 0.00 0.00 0.00 0.00 51.96 50.97 1gqh s ALA 301 Cb -0.10 -0.69 -0.01 0.00 0.00 0.00 0.00 23.12 22.32 1gqh s ALA 301 CO 0.01 0.41 -0.18 0.12 0.00 0.00 0.00 175.76 176.12 1gqh s PHE 302 N -0.12 2.70 -0.20 0.00 5.36 0.18 -1.76 117.98 124.14 1gqh s PHE 302 Ca -0.05 -0.82 0.01 0.00 -0.96 0.00 0.00 56.93 55.11 1gqh s PHE 302 Cb -0.14 -1.79 0.04 0.00 -0.34 0.00 0.00 43.02 40.79 1gqh s PHE 302 CO 0.04 -0.30 -0.11 0.42 -1.46 0.00 0.00 175.22 173.81 1gqh s ILE 303 N 0.35 1.68 0.65 3.12 1.09 0.84 -2.53 121.20 126.40 1gqh s ILE 303 Ca -0.14 -1.04 -0.18 0.00 -1.10 0.00 0.00 60.65 58.19 1gqh s ILE 303 Cb -0.17 -1.75 -0.01 0.00 -1.06 0.00 0.00 42.46 39.47 1gqh s ILE 303 CO 0.07 0.17 1.30 -2.84 -0.10 0.00 0.00 174.94 173.55 1gqh s PRO 304 N 1.38 2.54 0.42 2.79 0.02 -1.26 -1.12 135.00 139.77 1gqh s PRO 304 Ca -0.01 2.08 -0.26 0.00 0.02 0.00 0.00 61.00 62.83 1gqh s PRO 304 Cb -0.16 -1.85 -0.10 0.00 0.02 0.00 0.00 34.50 32.42 1gqh s PRO 304 CO -0.08 -1.61 1.34 0.41 -0.33 0.00 0.00 177.00 176.72 1gqh n GLY 305 N 0.92 0.73 2.48 0.52 0.00 -1.25 -2.23 105.19 106.36 1gqh n GLY 305 Ca 0.16 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1gqh n GLY 305 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gqh n GLY 306 N 0.71 0.90 3.53 -0.02 0.00 0.17 -4.87 105.19 105.61 1gqh n GLY 306 Ca 0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.72 1gqh n GLY 306 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gqh s VAL 307 N -3.57 4.45 0.37 1.61 1.01 -0.95 -4.95 120.40 118.37 1gqh s VAL 307 Ca 0.00 -0.14 -0.27 0.00 0.00 0.00 0.00 61.98 61.57 1gqh s VAL 307 Cb 0.00 -3.04 -0.09 0.00 0.00 0.00 0.00 36.38 33.25 1gqh s VAL 307 CO 0.00 0.40 1.22 -1.61 0.00 0.00 0.00 175.10 175.11 1gqh s GLU 308 N 0.97 4.18 0.07 2.72 2.02 -1.26 -4.59 118.70 122.82 1gqh s GLU 308 Ca 0.03 1.99 -0.21 0.00 0.02 0.00 0.00 54.97 56.81 1gqh s GLU 308 Cb -0.14 -2.85 0.05 0.00 0.10 0.00 0.00 34.13 31.28 1gqh s GLU 308 CO 0.03 -0.25 0.49 -0.59 0.02 0.00 0.00 175.26 174.95 1gqh s PHE 309 N -1.28 -0.37 0.08 1.61 -0.71 -0.29 -0.90 117.98 116.12 1gqh s PHE 309 Ca 0.53 0.31 0.06 0.00 -1.04 0.00 0.00 56.93 56.80 1gqh s PHE 309 Cb -0.34 0.33 -0.03 0.00 -1.21 0.00 0.00 43.02 41.76 1gqh s PHE 309 CO 0.44 -0.66 -0.17 0.15 -1.34 0.00 0.00 175.22 173.64 1gqh s LYS 310 N -2.81 0.96 0.02 1.99 1.02 -0.02 -0.87 119.74 120.03 1gqh s LYS 310 Ca -0.03 -1.03 -0.11 0.00 0.02 0.00 0.00 55.97 54.82 1gqh s LYS 310 Cb -0.00 -1.08 0.01 0.00 -0.52 0.00 0.00 37.83 36.24 1gqh s LYS 310 CO -0.05 0.25 0.24 1.52 -0.92 0.00 0.00 175.35 176.39 1gqh s TYR 311 N -1.19 -0.03 0.19 3.18 -0.85 -1.26 0.42 117.35 117.81 1gqh s TYR 311 Ca 0.02 -0.08 -0.23 0.00 -0.52 0.00 0.00 57.07 56.26 1gqh s TYR 311 Cb -0.10 0.02 0.05 0.00 0.38 0.00 0.00 41.96 42.32 1gqh s TYR 311 CO 0.03 -0.42 0.69 1.52 -1.52 0.00 0.00 175.55 175.85 1gqh s TYR 312 N -2.14 -0.37 -0.23 -3.49 -0.85 -0.54 -4.85 117.35 104.88 1gqh s TYR 312 Ca -0.08 0.06 -0.10 0.00 -0.52 0.00 0.00 57.07 56.43 1gqh s TYR 312 Cb -0.03 0.62 -0.05 0.00 0.38 0.00 0.00 41.96 42.88 1gqh s TYR 312 CO -0.01 -0.98 0.15 0.45 -1.52 0.00 0.00 175.55 173.64 1gqh s SER 313 N -2.81 6.08 0.02 -0.18 0.15 -1.26 -0.98 113.70 114.72 1gqh s SER 313 Ca 0.06 0.11 -0.03 0.00 0.70 0.00 0.00 55.95 56.79 1gqh s SER 313 Cb -0.03 -2.09 -0.28 0.00 -1.71 0.00 0.00 66.02 61.91 1gqh s SER 313 CO -0.04 0.08 0.91 -0.08 1.20 0.00 0.00 173.24 175.31 1gqh h GLU 314 N 7.40 0.26 -7.26 5.44 4.57 -1.45 -3.39 114.58 120.15 1gqh h GLU 314 Ca -0.38 -0.44 -0.51 0.00 -1.18 0.00 0.00 59.36 56.84 1gqh h GLU 314 Cb 1.17 0.16 0.11 0.00 -0.16 0.00 0.00 28.75 30.03 1gqh h GLU 314 CO 0.67 1.14 0.35 0.00 -1.18 0.00 0.00 179.01 179.98 1gqh s ALA 315 N -2.62 2.41 0.44 2.92 0.00 -1.11 -4.92 121.76 118.89 1gqh s ALA 315 Ca -0.08 0.38 0.26 0.00 0.00 0.00 0.00 51.96 52.51 1gqh s ALA 315 Cb 0.07 -3.28 1.42 0.00 0.00 0.00 0.00 23.12 21.32 1gqh s ALA 315 CO 0.86 -1.45 2.08 1.88 0.00 0.00 0.00 175.76 179.13 1gqh h TYR 316 N -0.50 0.00 -2.84 0.00 0.05 -1.91 -3.38 116.97 108.39 1gqh h TYR 316 Ca -0.45 0.00 -0.18 0.00 0.05 0.00 0.00 58.73 58.14 1gqh h TYR 316 Cb 1.23 0.00 -0.31 0.00 1.01 0.00 0.00 36.73 38.67 1gqh h TYR 316 CO 0.57 0.12 -0.47 0.12 -1.05 0.00 0.00 178.16 177.44 1gqh s PHE 317 N -4.31 -0.47 0.16 4.88 2.19 -1.26 -3.89 117.98 115.29 1gqh s PHE 317 Ca -0.03 1.03 0.07 0.00 0.33 0.00 0.00 56.93 58.33 1gqh s PHE 317 Cb 0.14 0.06 -0.04 0.00 -1.31 0.00 0.00 43.02 41.86 1gqh s PHE 317 CO 0.60 -0.34 -0.15 -1.12 1.83 0.00 0.00 175.22 176.04 1gqh s SER 318 N 2.04 2.34 -0.04 6.13 0.01 -0.84 -4.29 113.70 119.06 1gqh s SER 318 Ca -0.03 -0.92 -0.02 0.00 1.31 0.00 0.00 55.95 56.30 1gqh s SER 318 Cb -0.11 -0.11 0.03 0.00 0.21 0.00 0.00 66.02 66.04 1gqh s SER 318 CO -0.09 -0.15 0.09 -0.75 0.41 0.00 0.00 173.24 172.74 1gqh s LYS 319 N -3.15 0.04 0.15 12.44 2.20 0.29 -0.13 119.74 131.58 1gqh s LYS 319 Ca 0.16 0.24 0.05 0.00 -0.36 0.00 0.00 55.97 56.07 1gqh s LYS 319 Cb -0.03 -0.16 -0.04 0.00 -1.51 0.00 0.00 37.83 36.09 1gqh s LYS 319 CO 0.05 -0.13 -0.12 0.14 -0.36 0.00 0.00 175.35 174.93 1gqh s VAL 320 N 0.88 1.31 -0.22 4.02 -7.23 -0.79 -0.10 120.40 118.28 1gqh s VAL 320 Ca -0.07 -2.01 -0.15 0.00 -1.81 0.00 0.00 61.98 57.95 1gqh s VAL 320 Cb -0.10 -1.81 -0.04 0.00 0.56 0.00 0.00 36.38 35.00 1gqh s VAL 320 CO -0.04 -0.64 0.34 -0.22 -0.31 0.00 0.00 175.10 174.24 1gqh s LEU 321 N -3.03 4.13 -0.05 1.32 2.96 0.09 -1.26 118.68 122.84 1gqh s LEU 321 Ca 0.16 0.40 0.06 0.00 -0.22 0.00 0.00 54.13 54.53 1gqh s LEU 321 Cb 0.00 -2.41 -0.01 0.00 0.50 0.00 0.00 46.19 44.27 1gqh s LEU 321 CO 0.02 -0.06 -0.24 0.12 -1.32 0.00 0.00 176.35 174.87 1gqh s PHE 322 N 1.36 2.30 0.01 5.38 5.36 0.57 -0.95 117.98 132.01 1gqh s PHE 322 Ca 0.16 -0.65 0.04 0.00 -0.96 0.00 0.00 56.93 55.52 1gqh s PHE 322 Cb -0.15 -1.51 -0.01 0.00 -0.34 0.00 0.00 43.02 41.01 1gqh s PHE 322 CO 0.07 -0.19 -0.13 0.54 -1.46 0.00 0.00 175.22 174.06 1gqh s VAL 323 N -0.19 1.02 -0.07 3.12 0.11 -0.15 -1.63 120.40 122.61 1gqh s VAL 323 Ca -0.02 -0.72 -0.05 0.00 -2.93 0.00 0.00 61.98 58.27 1gqh s VAL 323 Cb -0.13 -0.89 0.03 0.00 -1.53 0.00 0.00 36.38 33.87 1gqh s VAL 323 CO 0.03 0.16 0.18 -0.55 -3.33 0.00 0.00 175.10 171.59 1gqh s SER 324 N -0.63 -0.18 0.07 3.54 0.15 -0.80 -1.37 113.70 114.47 1gqh s SER 324 Ca 0.03 0.37 -0.28 0.00 0.70 0.00 0.00 55.95 56.78 1gqh s SER 324 Cb -0.06 0.31 -0.05 0.00 -1.71 0.00 0.00 66.02 64.51 1gqh s SER 324 CO 0.00 -0.11 0.87 -0.55 1.20 0.00 0.00 173.24 174.65 1gqh s SER 325 N 0.73 7.35 0.00 5.45 0.15 -0.43 -0.64 113.70 126.32 1gqh s SER 325 Ca -0.05 1.62 0.00 0.00 0.70 0.00 0.00 55.95 58.22 1gqh s SER 325 Cb -0.07 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 1gqh s SER 325 CO -0.04 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 174.96 1gqh n GLY 326 N 2.38 1.57 0.75 9.45 0.00 0.31 -4.00 105.19 115.65 1gqh n GLY 326 Ca 0.00 -2.06 0.11 0.00 0.00 0.00 0.00 46.02 44.07 1gqh n GLY 326 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gqh n SER 327 N 0.00 2.54 -2.51 1.61 3.41 -1.26 -3.55 113.62 113.87 1gqh n SER 327 Ca 0.00 -1.77 -0.16 0.00 -0.26 0.00 0.00 58.87 56.68 1gqh n SER 327 Cb 0.00 0.18 0.02 0.00 -0.26 0.00 0.00 64.21 64.15 1gqh n SER 327 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1gqh n ASP 328 N 0.79 3.19 -3.24 4.04 9.92 -1.26 -4.89 116.55 125.10 1gqh n ASP 328 Ca 0.12 -3.09 -0.19 0.00 -0.53 0.00 0.00 54.79 51.09 1gqh n ASP 328 Cb 0.52 -0.46 0.14 0.00 -0.64 0.00 0.00 41.12 40.68 1gqh n ASP 328 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1gqh n GLY 329 N -0.44 -1.48 0.27 0.44 0.00 -1.26 -4.65 105.19 98.07 1gqh n GLY 329 Ca 0.25 -1.68 0.04 0.00 0.00 0.00 0.00 46.02 44.64 1gqh n GLY 329 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1gqh h LEU 330 N 0.00 -0.36 -0.18 0.99 5.85 -1.98 -0.07 115.31 119.57 1gqh h LEU 330 Ca -0.28 0.19 -0.02 0.00 0.84 0.00 0.00 57.88 58.61 1gqh h LEU 330 Cb 0.78 0.34 -0.01 0.00 0.37 0.00 0.00 40.66 42.14 1gqh h LEU 330 CO 0.20 -0.17 0.03 -2.24 -0.34 0.00 0.00 178.44 175.91 1gqh h ASP 331 N 0.10 0.28 -0.44 1.25 2.03 -1.97 -0.29 116.42 117.38 1gqh h ASP 331 Ca 0.40 -0.26 -0.06 0.00 -0.73 0.00 0.00 57.03 56.38 1gqh h ASP 331 Cb 0.69 -0.07 -0.02 0.00 -0.83 0.00 0.00 39.33 39.09 1gqh h ASP 331 CO -0.65 0.47 0.07 -0.61 -1.03 0.00 0.00 179.24 177.49 1gqh h GLN 332 N 0.08 0.80 -0.42 4.15 5.75 -1.79 0.28 115.11 123.96 1gqh h GLN 332 Ca 0.05 -0.18 0.02 0.00 -0.15 0.00 0.00 58.65 58.39 1gqh h GLN 332 Cb 0.31 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.72 1gqh h GLN 332 CO 0.00 0.76 0.24 -0.97 -2.65 0.00 0.00 178.83 176.21 1gqh h ASN 333 N 0.76 0.38 -0.45 -0.69 -1.24 -0.57 0.20 115.58 113.97 1gqh h ASN 333 Ca 0.16 0.01 -0.08 0.00 0.71 0.00 0.00 56.30 57.10 1gqh h ASN 333 Cb 0.36 -0.07 -0.02 0.00 0.73 0.00 0.00 38.32 39.31 1gqh h ASN 333 CO 0.01 0.27 0.01 -0.07 -1.29 0.00 0.00 177.43 176.36 1gqh h LEU 334 N 0.48 0.83 0.15 0.34 3.38 -0.42 -0.89 115.31 119.17 1gqh h LEU 334 Ca 0.17 -0.20 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1gqh h LEU 334 Cb 0.02 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.55 1gqh h LEU 334 CO -0.08 0.88 -0.07 0.58 0.09 0.00 0.00 178.44 179.84 1gqh h VAL 335 N 0.80 0.97 -0.30 1.22 2.07 -0.55 -1.77 116.25 118.69 1gqh h VAL 335 Ca 0.15 -0.50 0.04 0.00 0.82 0.00 0.00 66.70 67.21 1gqh h VAL 335 Cb 0.46 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 1gqh h VAL 335 CO 0.02 0.12 0.20 0.78 0.02 0.00 0.00 177.57 178.71 1gqh h ASN 336 N -0.44 0.20 0.55 0.57 -0.26 -0.42 -0.18 115.58 115.60 1gqh h ASN 336 Ca -0.02 -0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.72 1gqh h ASN 336 Cb 0.35 -0.05 0.00 0.00 -1.06 0.00 0.00 38.32 37.56 1gqh h ASN 336 CO 0.03 0.13 -0.26 0.61 -1.06 0.00 0.00 177.43 176.89 1gqh n GLY 337 N -1.53 -1.16 0.00 2.83 0.00 -0.36 -4.95 105.19 100.02 1gqh n GLY 337 Ca 0.03 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1gqh n GLY 337 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gqh n GLY 338 N 1.43 4.24 3.17 -0.02 0.00 -0.08 -4.78 105.19 109.15 1gqh n GLY 338 Ca 0.09 -1.83 -0.11 0.00 0.00 0.00 0.00 46.02 44.17 1gqh n GLY 338 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1gqh s GLU 339 N 2.60 0.85 0.47 1.61 -1.05 -0.44 -4.96 118.70 117.78 1gqh s GLU 339 Ca 0.00 -1.35 -0.25 0.00 -0.15 0.00 0.00 54.97 53.22 1gqh s GLU 339 Cb 0.00 -0.20 -0.08 0.00 -0.44 0.00 0.00 34.13 33.42 1gqh s GLU 339 CO 0.00 -0.03 1.40 -1.21 0.95 0.00 0.00 175.26 176.37 1gqh s GLU 340 N -3.84 3.60 0.01 -4.83 2.02 -1.26 -0.55 118.70 113.84 1gqh s GLU 340 Ca 0.13 2.35 0.00 0.00 0.02 0.00 0.00 54.97 57.47 1gqh s GLU 340 Cb 0.05 -2.58 -0.01 0.00 0.10 0.00 0.00 34.13 31.70 1gqh s GLU 340 CO -0.04 -0.86 -0.02 -0.46 0.02 0.00 0.00 175.26 173.89 1gqh s TRP 341 N -1.23 0.20 -0.25 1.61 -0.00 -0.47 -4.61 118.94 114.19 1gqh s TRP 341 Ca 0.63 -0.19 0.16 0.00 -0.00 0.00 0.00 56.10 56.70 1gqh s TRP 341 Cb -0.42 -0.13 0.47 0.00 -0.00 0.00 0.00 33.47 33.38 1gqh s TRP 341 CO 0.54 -0.06 1.37 -1.13 -0.00 0.00 0.00 176.95 177.67 1gqh n SER 342 N 2.55 3.57 -4.07 5.86 3.41 -1.26 -3.93 113.62 119.75 1gqh n SER 342 Ca -0.16 -2.91 -0.12 0.00 -0.26 0.00 0.00 58.87 55.42 1gqh n SER 342 Cb 0.58 -0.49 -0.11 0.00 -0.26 0.00 0.00 64.21 63.93 1gqh n SER 342 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1gqh s SER 343 N -1.94 0.83 0.01 4.04 0.15 -1.26 -5.00 113.70 110.54 1gqh s SER 343 Ca 0.38 -0.61 0.28 0.00 0.70 0.00 0.00 55.95 56.70 1gqh s SER 343 Cb 0.31 0.05 1.05 0.00 -1.71 0.00 0.00 66.02 65.72 1gqh s SER 343 CO 0.09 -0.25 1.80 1.33 1.20 0.00 0.00 173.24 177.41 1gqh n VAL 344 N 1.27 0.03 -4.06 4.45 0.24 -1.26 -4.79 118.33 114.20 1gqh n VAL 344 Ca -0.21 -0.01 -0.29 0.00 -2.04 0.00 0.00 64.34 61.78 1gqh n VAL 344 Cb 0.55 -0.33 -0.06 0.00 -1.47 0.00 0.00 33.84 32.53 1gqh n VAL 344 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1gqh s SER 345 N -3.07 5.54 0.46 -1.34 0.01 -1.26 -5.04 113.70 109.00 1gqh s SER 345 Ca 0.13 -0.04 0.03 0.00 1.31 0.00 0.00 55.95 57.38 1gqh s SER 345 Cb 0.18 -1.48 0.01 0.00 0.21 0.00 0.00 66.02 64.94 1gqh s SER 345 CO 0.57 0.14 0.65 0.72 0.41 0.00 0.00 173.24 175.73 1gqh s PHE 346 N -1.50 3.00 0.56 2.43 -0.12 -1.26 -5.02 117.98 116.07 1gqh s PHE 346 Ca 0.30 -0.05 -0.21 0.00 -0.05 0.00 0.00 56.93 56.91 1gqh s PHE 346 Cb -0.12 -2.42 -0.05 0.00 -0.63 0.00 0.00 43.02 39.81 1gqh s PHE 346 CO 0.23 -0.48 1.25 -2.30 -0.05 0.00 0.00 175.22 173.86 1gqh n PRO 347 N -2.05 1.46 0.12 1.99 -0.02 -1.26 -4.90 135.00 130.34 1gqh n PRO 347 Ca 0.05 0.54 0.12 0.00 -2.02 0.00 0.00 63.50 62.19 1gqh n PRO 347 Cb 0.59 -2.45 0.46 0.00 -0.02 0.00 0.00 33.50 32.07 1gqh n PRO 347 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1gqh n ALA 348 N -1.21 1.91 -2.51 3.55 0.00 -1.26 -4.76 120.51 116.23 1gqh n ALA 348 Ca 0.12 0.04 -0.24 0.00 0.00 0.00 0.00 53.44 53.35 1gqh n ALA 348 Cb 0.45 -1.42 -0.15 0.00 0.00 0.00 0.00 19.45 18.34 1gqh n ALA 348 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1gqh s ASP 349 N -4.30 2.14 0.00 0.00 1.01 -1.26 -5.28 116.67 108.98 1gqh s ASP 349 Ca 0.07 -0.41 0.02 0.00 0.71 0.00 0.00 52.55 52.94 1gqh s ASP 349 Cb 0.11 -0.20 0.11 0.00 1.01 0.00 0.00 42.92 43.94 1gqh s ASP 349 CO 0.47 0.17 0.60 0.79 0.21 0.00 0.00 175.17 177.41