#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gqh s SER 4 N 0.00 -0.17 0.37 6.43 0.15 -1.26 -5.00 113.70 114.21 1gqh s SER 4 Ca 0.00 0.36 0.13 0.00 0.70 0.00 0.00 55.95 57.14 1gqh s SER 4 Cb 0.00 0.30 0.94 0.00 -1.71 0.00 0.00 66.02 65.55 1gqh s SER 4 CO 0.00 -0.11 1.80 0.25 1.20 0.00 0.00 173.24 176.38 1gqh h LEU 5 N 6.67 0.58 -9.53 3.45 5.85 -1.93 -3.41 115.31 116.98 1gqh h LEU 5 Ca -0.35 0.07 -0.54 0.00 0.84 0.00 0.00 57.88 57.91 1gqh h LEU 5 Cb 1.17 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.14 1gqh h LEU 5 CO 0.40 0.19 0.22 -0.63 -0.34 0.00 0.00 178.44 178.28 1gqh s ILE 6 N -5.62 4.69 0.14 4.05 1.01 -1.26 -1.37 121.20 122.85 1gqh s ILE 6 Ca -0.10 1.75 0.06 0.00 0.00 0.00 0.00 60.65 62.36 1gqh s ILE 6 Cb 0.24 -4.17 -0.04 0.00 0.01 0.00 0.00 42.46 38.50 1gqh s ILE 6 CO 0.79 0.34 -0.13 0.68 0.00 0.00 0.00 174.94 176.62 1gqh s VAL 7 N 0.05 1.34 -0.12 2.92 -7.23 -0.34 -4.94 120.40 112.08 1gqh s VAL 7 Ca 0.41 -1.90 0.19 0.00 -1.81 0.00 0.00 61.98 58.88 1gqh s VAL 7 Cb -0.21 -1.70 -0.25 0.00 0.56 0.00 0.00 36.38 34.78 1gqh s VAL 7 CO 0.25 -0.55 0.44 1.21 -0.31 0.00 0.00 175.10 176.13 1gqh n GLU 8 N 0.16 0.66 -4.22 4.82 4.07 -1.26 -4.35 120.64 120.52 1gqh n GLU 8 Ca -0.13 -0.02 -0.16 0.00 -0.06 0.00 0.00 57.16 56.80 1gqh n GLU 8 Cb 0.59 -1.60 -0.11 0.00 -0.06 0.00 0.00 31.44 30.26 1gqh n GLU 8 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1gqh s ASP 9 N -5.20 1.76 0.32 4.31 1.11 -1.26 -1.02 116.67 116.68 1gqh s ASP 9 Ca -0.07 -0.87 -0.29 0.00 0.18 0.00 0.00 52.55 51.49 1gqh s ASP 9 Cb 0.10 -0.03 -0.11 0.00 1.07 0.00 0.00 42.92 43.95 1gqh s ASP 9 CO 0.85 -0.24 1.53 0.00 1.18 0.00 0.00 175.17 178.49 1gqh s ALA 10 N -2.59 3.67 0.96 5.23 0.00 -1.26 -4.94 121.76 122.82 1gqh s ALA 10 Ca 0.10 1.53 -0.11 0.00 0.00 0.00 0.00 51.96 53.48 1gqh s ALA 10 Cb -0.02 -3.62 0.17 0.00 0.00 0.00 0.00 23.12 19.65 1gqh s ALA 10 CO 0.01 -0.96 1.11 -2.14 0.00 0.00 0.00 175.76 173.78 1gqh s PRO 11 N -1.05 0.71 -0.11 0.00 0.02 -1.26 -4.91 135.00 128.41 1gqh s PRO 11 Ca 0.59 1.28 0.08 0.00 0.02 0.00 0.00 61.00 62.97 1gqh s PRO 11 Cb -0.46 -1.71 0.43 0.00 0.02 0.00 0.00 34.50 32.77 1gqh s PRO 11 CO 0.52 -2.75 1.19 -0.40 -0.33 0.00 0.00 177.00 175.24 1gqh n ASP 12 N -4.29 3.31 -3.62 2.53 5.68 -1.26 -3.46 116.55 115.44 1gqh n ASP 12 Ca 0.09 -2.41 -0.08 0.00 -0.50 0.00 0.00 54.79 51.89 1gqh n ASP 12 Cb 0.53 -0.54 -0.02 0.00 -1.14 0.00 0.00 41.12 39.95 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 -1.87 -0.30 0.03 2.11 -3.43 -1.23 -4.74 115.29 105.86 1gqh s HIS 13 Ca 0.29 0.05 -0.30 0.00 -0.80 0.00 0.00 55.06 54.29 1gqh s HIS 13 Cb 0.21 0.60 -0.06 0.00 -1.43 0.00 0.00 32.58 31.90 1gqh s HIS 13 CO 0.10 -0.81 1.41 0.08 -2.00 0.00 0.00 174.74 173.53 1gqh s VAL 14 N -3.44 3.57 -0.14 -5.38 1.01 -1.20 -4.50 120.40 110.32 1gqh s VAL 14 Ca 0.07 1.02 -0.30 0.00 0.00 0.00 0.00 61.98 62.77 1gqh s VAL 14 Cb -0.02 -3.66 0.13 0.00 0.00 0.00 0.00 36.38 32.83 1gqh s VAL 14 CO -0.04 0.02 1.04 0.00 0.00 0.00 0.00 175.10 176.12 1gqh s ARG 15 N 2.06 0.55 0.33 2.72 1.70 -1.26 -5.08 118.95 119.96 1gqh s ARG 15 Ca 0.65 -0.00 -0.29 0.00 -0.47 0.00 0.00 55.73 55.61 1gqh s ARG 15 Cb -0.33 0.26 -0.11 0.00 -0.57 0.00 0.00 34.95 34.20 1gqh s ARG 15 CO 0.28 -0.20 1.44 -2.14 -1.08 0.00 0.00 175.30 173.60 1gqh s PRO 16 N -1.73 4.22 0.14 3.89 0.02 -1.26 -4.70 135.00 135.58 1gqh s PRO 16 Ca 0.02 2.41 -0.24 0.00 0.02 0.00 0.00 61.00 63.22 1gqh s PRO 16 Cb -0.01 -3.04 0.07 0.00 0.02 0.00 0.00 34.50 31.55 1gqh s PRO 16 CO -0.03 -0.42 0.63 1.52 -0.33 0.00 0.00 177.00 178.38 1gqh s TYR 17 N -0.74 -0.51 -0.04 6.54 1.13 -1.00 -4.89 117.35 117.83 1gqh s TYR 17 Ca 0.54 0.31 0.06 0.00 -1.41 0.00 0.00 57.07 56.57 1gqh s TYR 17 Cb -0.44 0.56 -0.01 0.00 -1.10 0.00 0.00 41.96 40.97 1gqh s TYR 17 CO 0.54 -0.82 -0.21 0.08 -2.51 0.00 0.00 175.55 172.63 1gqh s VAL 18 N -3.69 1.68 -0.09 -3.49 1.01 -0.47 -0.31 120.40 115.04 1gqh s VAL 18 Ca 0.02 -0.87 0.01 0.00 0.00 0.00 0.00 61.98 61.14 1gqh s VAL 18 Cb -0.01 -1.41 0.02 0.00 0.00 0.00 0.00 36.38 34.97 1gqh s VAL 18 CO -0.12 0.47 -0.12 -0.51 0.00 0.00 0.00 175.10 174.82 1gqh s ILE 19 N -0.21 1.22 0.58 2.22 2.07 -0.05 -1.20 121.20 125.82 1gqh s ILE 19 Ca 0.01 -0.48 -0.17 0.00 -1.41 0.00 0.00 60.65 58.59 1gqh s ILE 19 Cb -0.11 -1.15 -0.04 0.00 0.13 0.00 0.00 42.46 41.29 1gqh s ILE 19 CO 0.01 0.39 1.09 -0.13 -1.91 0.00 0.00 174.94 174.39 1gqh s ARG 20 N 1.05 3.27 0.17 3.50 1.81 -1.26 -1.18 118.95 126.31 1gqh s ARG 20 Ca -0.07 1.40 -0.34 0.00 -1.72 0.00 0.00 55.73 55.01 1gqh s ARG 20 Cb -0.15 -2.01 -0.14 0.00 -0.45 0.00 0.00 34.95 32.20 1gqh s ARG 20 CO -0.01 -0.87 1.57 1.58 -0.68 0.00 0.00 175.30 176.88 1gqh n HIS 21 N -1.73 2.28 -1.10 -0.53 -0.00 -1.25 -1.51 115.22 111.37 1gqh n HIS 21 Ca 0.10 0.28 -0.04 0.00 0.46 0.00 0.00 57.72 58.52 1gqh n HIS 21 Cb 0.52 -2.54 -0.02 0.00 -0.12 0.00 0.00 29.99 27.83 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 3.32 0.00 -0.76 1.57 4.01 -1.26 -4.98 117.16 119.06 1gqh n TYR 22 Ca 0.17 0.00 -0.31 0.00 -0.16 0.00 0.00 57.90 57.60 1gqh n TYR 22 Cb 0.29 -1.20 0.17 0.00 -0.31 0.00 0.00 39.34 38.29 1gqh n TYR 22 CO 0.00 0.00 0.00 -1.12 -0.46 0.00 0.00 176.86 175.28 1gqh s SER 23 N -2.37 2.81 0.16 7.72 0.01 -0.57 -4.78 113.70 116.68 1gqh s SER 23 Ca 0.00 2.02 -0.24 0.00 1.31 0.00 0.00 55.95 59.04 1gqh s SER 23 Cb 0.00 -2.51 0.05 0.00 0.21 0.00 0.00 66.02 63.77 1gqh s SER 23 CO 0.00 -3.14 1.59 -0.74 0.41 0.00 0.00 173.24 171.36 1gqh h HIS 24 N -1.90 -0.98 -6.37 2.43 2.76 -1.87 -3.46 115.15 105.77 1gqh h HIS 24 Ca -0.46 0.06 -0.48 0.00 -2.20 0.00 0.00 60.37 57.29 1gqh h HIS 24 Cb 1.27 0.49 -0.02 0.00 1.55 0.00 0.00 27.41 30.70 1gqh h HIS 24 CO 0.47 -0.40 -0.87 0.00 -1.30 0.00 0.00 177.93 175.83 1gqh n ALA 25 N -3.02 -2.03 -2.69 5.26 0.00 -0.19 -1.93 120.51 115.91 1gqh n ALA 25 Ca 0.01 -0.24 -0.18 0.00 0.00 0.00 0.00 53.44 53.03 1gqh n ALA 25 Cb 0.34 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1gqh n ALA 25 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1gqh n ARG 26 N -4.36 -2.77 -1.61 0.00 0.63 -1.26 -1.82 116.66 105.46 1gqh n ARG 26 Ca -0.31 0.72 -0.44 0.00 -0.92 0.00 0.00 57.85 56.91 1gqh n ARG 26 Cb 0.68 -5.40 -0.01 0.00 0.45 0.00 0.00 32.46 28.18 1gqh n ARG 26 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1gqh n ALA 27 N -2.63 0.06 -2.55 5.13 0.00 -0.81 -4.81 120.51 114.90 1gqh n ALA 27 Ca -0.14 0.37 -0.09 0.00 0.00 0.00 0.00 53.44 53.57 1gqh n ALA 27 Cb 0.62 -2.06 -0.11 0.00 0.00 0.00 0.00 19.45 17.90 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 -1.09 0.29 -0.03 0.00 -7.23 -0.85 -1.00 120.40 110.49 1gqh s VAL 28 Ca 0.58 -1.38 0.04 0.00 -1.81 0.00 0.00 61.98 59.41 1gqh s VAL 28 Cb -0.66 -0.93 -0.03 0.00 0.56 0.00 0.00 36.38 35.32 1gqh s VAL 28 CO 0.60 -0.70 -0.13 0.42 -0.31 0.00 0.00 175.10 174.98 1gqh s THR 29 N -2.57 3.19 -0.31 5.32 -4.23 -0.26 0.06 115.64 116.84 1gqh s THR 29 Ca -0.04 -0.77 0.03 0.00 -1.18 0.00 0.00 61.69 59.74 1gqh s THR 29 Cb -0.02 -2.29 0.09 0.00 1.34 0.00 0.00 72.50 71.61 1gqh s THR 29 CO -0.04 0.52 -0.01 -0.69 -0.54 0.00 0.00 174.62 173.86 1gqh s VAL 30 N -0.81 2.19 0.00 2.29 1.01 -0.55 -1.27 120.40 123.26 1gqh s VAL 30 Ca 0.13 -2.06 0.00 0.00 0.00 0.00 0.00 61.98 60.05 1gqh s VAL 30 Cb -0.11 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.77 1gqh s VAL 30 CO 0.02 -0.39 0.00 0.47 0.00 0.00 0.00 175.10 175.20 1gqh n ASP 31 N 4.34 0.00 0.08 3.32 8.00 -1.26 -2.03 116.55 129.00 1gqh n ASP 31 Ca -0.03 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.60 1gqh n ASP 31 Cb 0.42 0.00 0.28 0.00 -0.02 0.00 0.00 41.12 41.80 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 0.48 -2.83 -3.53 -2.24 -1.26 -4.90 114.28 100.00 1gqh n THR 32 Ca 0.00 -0.29 -0.39 0.00 -2.27 0.00 0.00 64.05 61.11 1gqh n THR 32 Cb 0.00 -0.35 -0.06 0.00 -2.10 0.00 0.00 70.33 67.82 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 -3.14 4.67 -0.14 -0.78 -0.21 -0.86 -4.59 119.66 114.62 1gqh s GLN 33 Ca 0.08 1.33 0.02 0.00 0.02 0.00 0.00 55.36 56.81 1gqh s GLN 33 Cb 0.13 -3.11 0.01 0.00 1.00 0.00 0.00 33.01 31.04 1gqh s GLN 33 CO 0.66 0.45 -0.21 -1.17 -2.12 0.00 0.00 175.29 172.91 1gqh s LEU 34 N -1.48 2.20 -0.14 2.90 0.20 -0.40 -1.48 118.68 120.47 1gqh s LEU 34 Ca 0.43 -0.57 -0.03 0.00 0.69 0.00 0.00 54.13 54.64 1gqh s LEU 34 Cb -0.23 -1.47 -0.03 0.00 -0.43 0.00 0.00 46.19 44.03 1gqh s LEU 34 CO 0.28 0.09 -0.03 -0.31 -0.29 0.00 0.00 176.35 176.08 1gqh s TYR 35 N 0.79 3.05 -0.04 5.38 1.51 0.11 -1.44 117.35 126.71 1gqh s TYR 35 Ca -0.07 -0.20 0.07 0.00 -1.01 0.00 0.00 57.07 55.85 1gqh s TYR 35 Cb -0.16 -1.93 -0.01 0.00 -0.11 0.00 0.00 41.96 39.75 1gqh s TYR 35 CO -0.01 0.05 -0.25 1.03 -1.11 0.00 0.00 175.55 175.27 1gqh s ARG 36 N 0.17 2.27 -0.66 -0.62 0.52 -0.13 -2.01 118.95 118.48 1gqh s ARG 36 Ca -0.01 -0.88 -0.03 0.00 -0.52 0.00 0.00 55.73 54.29 1gqh s ARG 36 Cb -0.14 -2.04 0.17 0.00 0.52 0.00 0.00 34.95 33.47 1gqh s ARG 36 CO 0.03 0.45 0.49 -0.06 0.02 0.00 0.00 175.30 176.22 1gqh s PHE 37 N -0.35 3.46 0.21 -0.53 0.08 -0.76 -1.02 117.98 119.08 1gqh s PHE 37 Ca 0.02 -2.75 0.01 0.00 0.12 0.00 0.00 56.93 54.33 1gqh s PHE 37 Cb -0.12 -3.21 0.18 0.00 -0.57 0.00 0.00 43.02 39.30 1gqh s PHE 37 CO 0.01 -0.82 1.53 1.88 -0.10 0.00 0.00 175.22 177.72 1gqh h TYR 38 N 6.88 0.49 -3.44 0.36 0.05 -1.56 -3.38 116.97 116.37 1gqh h TYR 38 Ca 0.01 -0.18 -0.42 0.00 0.05 0.00 0.00 58.73 58.19 1gqh h TYR 38 Cb 0.93 -0.09 -0.34 0.00 1.01 0.00 0.00 36.73 38.24 1gqh h TYR 38 CO 0.72 0.88 -0.78 0.08 -1.05 0.00 0.00 178.16 178.02 1gqh s VAL 39 N -3.84 0.57 0.50 -2.88 1.01 -0.68 -4.58 120.40 110.51 1gqh s VAL 39 Ca -0.05 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 61.82 1gqh s VAL 39 Cb 0.12 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 35.88 1gqh s VAL 39 CO 0.82 0.24 0.03 0.42 0.00 0.00 0.00 175.10 176.61 1gqh s THR 40 N 1.00 1.30 0.10 3.92 -4.23 -1.26 -1.29 115.64 115.17 1gqh s THR 40 Ca -0.10 -1.96 -0.33 0.00 -1.18 0.00 0.00 61.69 58.11 1gqh s THR 40 Cb -0.14 -2.27 -0.14 0.00 1.34 0.00 0.00 72.50 71.29 1gqh s THR 40 CO -0.00 0.00 1.58 1.23 -0.54 0.00 0.00 174.62 176.89 1gqh h GLY 41 N 1.36 -1.05 0.91 3.99 0.00 -1.84 0.51 103.07 106.95 1gqh h GLY 41 Ca -0.44 0.53 0.03 0.00 0.00 0.00 0.00 47.33 47.46 1gqh h GLY 41 CO 0.74 -0.32 0.64 -2.55 0.00 0.00 0.00 176.54 175.05 1gqh h PRO 42 N -0.84 1.22 0.00 4.80 0.11 -1.90 0.63 132.00 136.03 1gqh h PRO 42 Ca -0.03 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 65.98 1gqh h PRO 42 Cb 0.77 -0.28 -0.00 0.00 0.11 0.00 0.00 31.00 31.60 1gqh h PRO 42 CO -0.13 0.81 -0.13 0.66 -0.21 0.00 0.00 178.00 179.00 1gqh h SER 43 N 1.26 0.00 -0.25 -2.05 4.64 -1.55 -3.18 113.55 112.41 1gqh h SER 43 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 1gqh h SER 43 Cb -0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.05 1gqh h SER 43 CO -0.11 0.13 0.00 -1.54 -0.87 0.00 0.00 176.83 174.44 1gqh n SER 44 N -3.21 2.64 -1.69 4.97 3.41 0.15 -4.19 113.62 115.70 1gqh n SER 44 Ca 0.01 -1.85 -0.14 0.00 -0.26 0.00 0.00 58.87 56.64 1gqh n SER 44 Cb 0.45 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 64.23 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 0.55 -0.17 2.52 5.00 0.00 -0.12 -2.75 105.19 110.21 1gqh n GLY 45 Ca 0.10 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -4.03 0.00 -0.12 1.61 4.01 0.20 -4.92 117.16 113.92 1gqh n TYR 46 Ca -0.14 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.48 1gqh n TYR 46 Cb 0.61 -0.73 -0.03 0.00 -0.31 0.00 0.00 39.34 38.89 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 0.52 -2.15 -0.72 0.00 -1.76 -0.10 119.26 115.04 1gqh h ALA 47 Ca 0.00 -0.38 0.18 0.00 0.00 0.00 0.00 54.91 54.71 1gqh h ALA 47 Cb 0.32 -0.12 -0.11 0.00 0.00 0.00 0.00 17.79 17.88 1gqh h ALA 47 CO 0.00 0.50 0.55 -0.59 0.00 0.00 0.00 179.25 179.71 1gqh s PHE 48 N -4.54 -0.19 -0.06 0.00 -0.12 -1.26 -3.26 117.98 108.56 1gqh s PHE 48 Ca -0.12 -0.02 0.05 0.00 -0.05 0.00 0.00 56.93 56.79 1gqh s PHE 48 Cb 0.10 0.59 -0.02 0.00 -0.63 0.00 0.00 43.02 43.06 1gqh s PHE 48 CO 0.84 -0.63 -0.21 0.99 -0.05 0.00 0.00 175.22 176.16 1gqh s THR 49 N -3.07 2.46 -0.23 -4.49 2.01 0.84 -4.28 115.64 108.87 1gqh s THR 49 Ca 0.10 -0.93 0.01 0.00 0.31 0.00 0.00 61.69 61.18 1gqh s THR 49 Cb -0.00 -1.93 0.05 0.00 0.01 0.00 0.00 72.50 70.63 1gqh s THR 49 CO -0.03 0.57 -0.08 -0.22 -0.69 0.00 0.00 174.62 174.18 1gqh s LEU 50 N -0.33 2.58 0.24 4.42 0.20 -0.41 -0.91 118.68 124.46 1gqh s LEU 50 Ca 0.02 -1.11 0.08 0.00 0.69 0.00 0.00 54.13 53.81 1gqh s LEU 50 Cb -0.12 -1.24 -0.05 0.00 -0.43 0.00 0.00 46.19 44.35 1gqh s LEU 50 CO 0.02 -0.20 -0.13 0.00 -0.29 0.00 0.00 176.35 175.75 1gqh s MET 51 N 1.36 1.45 -0.05 1.98 0.23 0.42 -1.54 119.30 123.15 1gqh s MET 51 Ca -0.05 -1.68 0.06 0.00 -1.03 0.00 0.00 55.69 53.00 1gqh s MET 51 Cb -0.18 -1.24 -0.01 0.00 -1.53 0.00 0.00 34.83 31.87 1gqh s MET 51 CO -0.07 0.17 -0.24 0.20 -2.03 0.00 0.00 175.02 173.05 1gqh s GLY 52 N -3.38 1.31 -0.21 3.16 0.00 -0.19 0.39 107.32 108.40 1gqh s GLY 52 Ca 0.26 -1.06 0.01 0.00 0.00 0.00 0.00 44.72 43.93 1gqh s GLY 52 CO 0.10 -0.70 -0.15 -1.59 0.00 0.00 0.00 173.10 170.76 1gqh s THR 53 N -0.26 2.29 -0.12 0.90 2.01 0.87 -0.96 115.64 120.37 1gqh s THR 53 Ca -0.00 -1.07 -0.04 0.00 0.31 0.00 0.00 61.69 60.88 1gqh s THR 53 Cb -0.13 -2.08 -0.04 0.00 0.01 0.00 0.00 72.50 70.26 1gqh s THR 53 CO 0.03 0.36 0.04 0.20 -0.69 0.00 0.00 174.62 174.55 1gqh s ASN 54 N 1.27 5.49 0.06 3.53 -0.87 -0.52 -0.88 114.94 123.02 1gqh s ASN 54 Ca 0.01 0.16 -0.26 0.00 -1.57 0.00 0.00 52.86 51.20 1gqh s ASN 54 Cb -0.15 -1.73 0.07 0.00 -0.02 0.00 0.00 41.25 39.41 1gqh s ASN 54 CO -0.09 0.31 0.61 0.00 -2.57 0.00 0.00 177.10 175.35 1gqh s ALA 55 N -0.46 -1.59 0.73 0.60 0.00 -0.89 -1.27 121.76 118.87 1gqh s ALA 55 Ca 0.09 0.79 -0.05 0.00 0.00 0.00 0.00 51.96 52.80 1gqh s ALA 55 Cb -0.12 0.47 0.10 0.00 0.00 0.00 0.00 23.12 23.57 1gqh s ALA 55 CO 0.02 -0.57 1.02 -1.25 0.00 0.00 0.00 175.76 174.98 1gqh s PRO 56 N -2.59 1.84 0.29 0.00 0.04 -1.26 -2.93 135.00 130.40 1gqh s PRO 56 Ca -0.04 -0.63 -0.30 0.00 0.04 0.00 0.00 61.00 60.07 1gqh s PRO 56 Cb -0.01 -2.22 -0.13 0.00 0.04 0.00 0.00 34.50 32.19 1gqh s PRO 56 CO -0.03 -1.41 1.38 1.58 0.04 0.00 0.00 177.00 178.57 1gqh n HIS 57 N -2.94 2.32 -4.33 0.56 -0.00 -1.23 -4.79 115.22 104.82 1gqh n HIS 57 Ca 0.11 0.46 -0.18 0.00 -0.00 0.00 0.00 57.72 58.11 1gqh n HIS 57 Cb 0.60 -2.46 -0.14 0.00 -0.00 0.00 0.00 29.99 27.99 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 0.05 1.08 0.00 0.26 0.15 -0.43 -5.01 113.70 109.80 1gqh s SER 58 Ca 0.62 -0.22 0.29 0.00 0.70 0.00 0.00 55.95 57.34 1gqh s SER 58 Cb -0.59 -0.10 1.35 0.00 -1.71 0.00 0.00 66.02 64.97 1gqh s SER 58 CO 0.55 0.07 1.93 0.47 1.20 0.00 0.00 173.24 177.46 1gqh n ASP 59 N 2.65 0.45 -4.50 5.45 8.00 -1.26 -4.59 116.55 122.75 1gqh n ASP 59 Ca -0.15 -0.70 -0.24 0.00 0.71 0.00 0.00 54.79 54.41 1gqh n ASP 59 Cb 0.57 -0.07 -0.10 0.00 -0.02 0.00 0.00 41.12 41.49 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 -2.35 2.73 0.69 2.24 0.00 -1.26 -5.11 121.76 118.70 1gqh s ALA 60 Ca 0.33 -2.04 -0.17 0.00 0.00 0.00 0.00 51.96 50.09 1gqh s ALA 60 Cb 0.20 0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.41 1gqh s ALA 60 CO 0.44 0.00 1.20 1.28 0.00 0.00 0.00 175.76 178.69 1gqh n LEU 61 N -0.72 5.16 0.09 0.00 4.77 -1.26 -4.62 117.00 120.43 1gqh n LEU 61 Ca -0.05 0.75 0.12 0.00 -0.03 0.00 0.00 56.01 56.80 1gqh n LEU 61 Cb 0.64 -1.51 0.19 0.00 -2.33 0.00 0.00 43.42 40.40 1gqh n LEU 61 CO 0.42 -1.36 0.45 1.23 -1.33 0.00 0.00 177.39 176.80 1gqh h GLY 62 N 0.10 0.00 -3.28 -0.72 0.00 -0.76 -3.47 103.07 94.93 1gqh h GLY 62 Ca -0.49 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 46.81 1gqh h GLY 62 CO 0.50 0.00 0.19 0.54 0.00 0.00 0.00 176.54 177.78 1gqh s VAL 63 N -3.19 0.00 0.32 4.60 0.11 -1.26 -4.99 120.40 115.99 1gqh s VAL 63 Ca 0.06 -0.02 -0.26 0.00 -2.93 0.00 0.00 61.98 58.83 1gqh s VAL 63 Cb 0.12 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.87 1gqh s VAL 63 CO 0.70 -0.01 0.94 -0.76 -3.33 0.00 0.00 175.10 172.65 1gqh s LEU 64 N -2.32 4.35 0.34 2.54 1.43 -1.26 -4.61 118.68 119.15 1gqh s LEU 64 Ca -0.02 1.84 -0.26 0.00 -1.03 0.00 0.00 54.13 54.66 1gqh s LEU 64 Cb -0.01 -4.00 -0.13 0.00 0.03 0.00 0.00 46.19 42.09 1gqh s LEU 64 CO -0.07 -0.06 0.94 -2.65 0.23 0.00 0.00 176.35 174.75 1gqh n PRO 65 N 0.60 1.22 -3.84 1.29 -0.02 -1.26 -4.87 135.00 128.13 1gqh n PRO 65 Ca 0.02 0.43 -0.06 0.00 -2.02 0.00 0.00 63.50 61.87 1gqh n PRO 65 Cb 0.50 -1.84 0.02 0.00 -0.02 0.00 0.00 33.50 32.16 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 -1.17 0.08 0.08 6.00 -3.43 -0.96 -2.56 115.29 113.33 1gqh s HIS 66 Ca 0.60 -0.62 0.03 0.00 -0.80 0.00 0.00 55.06 54.28 1gqh s HIS 66 Cb -0.66 0.77 -0.03 0.00 -1.43 0.00 0.00 32.58 31.24 1gqh s HIS 66 CO 0.59 -1.27 -0.10 0.42 -2.00 0.00 0.00 174.74 172.38 1gqh s ILE 67 N -2.36 0.84 -0.19 -5.38 1.01 -0.05 -1.58 121.20 113.49 1gqh s ILE 67 Ca 0.18 -1.47 -0.01 0.00 0.00 0.00 0.00 60.65 59.34 1gqh s ILE 67 Cb -0.04 -1.15 -0.00 0.00 0.01 0.00 0.00 42.46 41.28 1gqh s ILE 67 CO 0.08 -0.49 -0.12 -1.00 0.00 0.00 0.00 174.94 173.42 1gqh s HIS 68 N -2.10 2.86 -0.13 3.97 3.76 -1.26 -1.38 115.29 121.00 1gqh s HIS 68 Ca 0.01 -1.11 0.14 0.00 -0.15 0.00 0.00 55.06 53.95 1gqh s HIS 68 Cb -0.05 -1.98 0.03 0.00 1.11 0.00 0.00 32.58 31.69 1gqh s HIS 68 CO 0.00 -0.56 1.42 1.96 -0.85 0.00 0.00 174.74 176.71 1gqh h GLN 69 N 7.74 0.00 0.00 1.40 4.20 -1.96 0.05 115.11 126.54 1gqh h GLN 69 Ca -0.39 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.32 1gqh h GLN 69 Cb 1.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.95 1gqh h GLN 69 CO 0.60 0.55 0.00 1.63 -0.67 0.00 0.00 178.83 180.94 1gqh n LYS 70 N -3.24 1.14 -4.94 1.46 5.02 -1.26 -4.62 118.16 111.71 1gqh n LYS 70 Ca 0.02 -0.33 -0.32 0.00 -2.02 0.00 0.00 58.31 55.66 1gqh n LYS 70 Cb 0.76 -0.81 -0.14 0.00 -0.02 0.00 0.00 35.03 34.81 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 -0.26 2.68 -0.24 2.13 3.76 -1.26 -4.38 115.29 117.72 1gqh s HIS 71 Ca 0.00 -0.46 -0.15 0.00 -0.15 0.00 0.00 55.06 54.30 1gqh s HIS 71 Cb 0.00 -1.70 -0.04 0.00 1.11 0.00 0.00 32.58 31.95 1gqh s HIS 71 CO 0.00 -0.05 0.36 -0.47 -0.85 0.00 0.00 174.74 173.73 1gqh s TYR 72 N -0.22 3.29 -0.01 1.40 6.14 0.30 -3.98 117.35 124.27 1gqh s TYR 72 Ca -0.00 0.46 -0.01 0.00 0.64 0.00 0.00 57.07 58.16 1gqh s TYR 72 Cb -0.13 -2.53 -0.04 0.00 0.42 0.00 0.00 41.96 39.68 1gqh s TYR 72 CO 0.03 -0.13 0.11 -2.00 0.64 0.00 0.00 175.55 174.20 1gqh s GLU 73 N 1.73 3.17 -0.03 4.97 2.12 -0.19 -2.05 118.70 128.43 1gqh s GLU 73 Ca 0.16 -0.44 0.01 0.00 0.36 0.00 0.00 54.97 55.06 1gqh s GLU 73 Cb -0.15 -2.93 0.01 0.00 0.26 0.00 0.00 34.13 31.32 1gqh s GLU 73 CO 0.09 0.66 -0.05 -0.80 -0.54 0.00 0.00 175.26 174.61 1gqh s ASN 74 N -1.78 0.87 -0.19 -1.70 0.01 -0.48 -1.05 114.94 110.62 1gqh s ASN 74 Ca 0.24 -0.12 -0.00 0.00 -0.71 0.00 0.00 52.86 52.26 1gqh s ASN 74 Cb -0.12 -0.34 0.01 0.00 0.41 0.00 0.00 41.25 41.21 1gqh s ASN 74 CO 0.15 -0.01 -0.16 -0.36 -1.51 0.00 0.00 177.10 175.21 1gqh s PHE 75 N 0.59 2.82 -0.08 2.20 0.40 0.46 -2.21 117.98 122.16 1gqh s PHE 75 Ca -0.08 -1.39 0.03 0.00 -0.60 0.00 0.00 56.93 54.90 1gqh s PHE 75 Cb -0.11 -1.96 0.00 0.00 0.51 0.00 0.00 43.02 41.47 1gqh s PHE 75 CO 0.00 -0.70 -0.19 -0.47 0.70 0.00 0.00 175.22 174.56 1gqh s TYR 76 N 1.26 2.09 -0.55 0.36 5.04 -0.39 0.13 117.35 125.29 1gqh s TYR 76 Ca 0.03 -0.80 -0.21 0.00 -2.44 0.00 0.00 57.07 53.65 1gqh s TYR 76 Cb -0.14 -1.43 0.06 0.00 0.35 0.00 0.00 41.96 40.80 1gqh s TYR 76 CO -0.09 -0.34 0.79 0.00 -1.34 0.00 0.00 175.55 174.57 1gqh h ASN 78 N 9.20 0.88 -5.24 0.00 -0.73 -1.67 0.72 115.58 118.74 1gqh h ASN 78 Ca -0.27 -0.33 0.18 0.00 1.87 0.00 0.00 56.30 57.75 1gqh h ASN 78 Cb 1.08 -0.24 -0.09 0.00 0.27 0.00 0.00 38.32 39.34 1gqh h ASN 78 CO 1.05 0.99 0.50 -1.59 -0.37 0.00 0.00 177.43 178.02 1gqh s LYS 79 N -4.94 1.10 4.92 6.67 -2.85 -1.18 -4.50 119.74 118.96 1gqh s LYS 79 Ca -0.12 -0.58 0.00 0.00 -1.00 0.00 0.00 55.97 54.26 1gqh s LYS 79 Cb 0.12 0.39 0.00 0.00 -2.06 0.00 0.00 37.83 36.28 1gqh s LYS 79 CO 0.83 -0.50 0.00 0.41 0.10 0.00 0.00 175.35 176.19 1gqh n GLY 80 N -0.44 1.66 3.57 0.59 0.00 -1.16 -1.13 105.19 108.28 1gqh n GLY 80 Ca -0.07 -0.64 -0.14 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.59 -0.09 1.61 1.04 -1.26 -3.49 113.70 106.91 1gqh s SER 81 Ca 0.00 0.85 -0.14 0.00 0.48 0.00 0.00 55.95 57.14 1gqh s SER 81 Cb 0.00 0.75 0.03 0.00 0.10 0.00 0.00 66.02 66.91 1gqh s SER 81 CO 0.00 -0.41 0.35 0.72 0.98 0.00 0.00 173.24 174.89 1gqh s PHE 82 N -0.62 -0.33 0.10 5.02 -0.71 -0.80 -0.55 117.98 120.09 1gqh s PHE 82 Ca -0.05 0.74 -0.21 0.00 -1.04 0.00 0.00 56.93 56.37 1gqh s PHE 82 Cb -0.02 0.13 -0.07 0.00 -1.21 0.00 0.00 43.02 41.85 1gqh s PHE 82 CO 0.04 -0.27 0.63 -1.14 -1.34 0.00 0.00 175.22 173.14 1gqh s GLN 83 N -0.37 4.31 -0.04 1.99 0.74 0.20 -0.50 119.66 125.99 1gqh s GLN 83 Ca -0.05 0.86 0.05 0.00 0.05 0.00 0.00 55.36 56.27 1gqh s GLN 83 Cb -0.03 -3.25 -0.00 0.00 1.10 0.00 0.00 33.01 30.82 1gqh s GLN 83 CO 0.02 0.62 -0.18 -1.17 -0.55 0.00 0.00 175.29 174.03 1gqh s LEU 84 N -1.11 1.94 0.02 3.68 2.96 -0.20 -1.06 118.68 124.91 1gqh s LEU 84 Ca 0.31 -0.36 0.07 0.00 -0.22 0.00 0.00 54.13 53.93 1gqh s LEU 84 Cb -0.21 -1.00 -0.03 0.00 0.50 0.00 0.00 46.19 45.46 1gqh s LEU 84 CO 0.21 0.16 -0.21 0.26 -1.32 0.00 0.00 176.35 175.46 1gqh s TRP 85 N -0.01 2.49 -0.15 5.38 0.51 -0.37 -1.87 118.94 124.92 1gqh s TRP 85 Ca -0.03 -0.31 -0.21 0.00 -2.12 0.00 0.00 56.10 53.43 1gqh s TRP 85 Cb -0.11 -1.47 0.05 0.00 -0.81 0.00 0.00 33.47 31.13 1gqh s TRP 85 CO 0.02 0.18 0.56 0.00 -0.51 0.00 0.00 176.95 177.20 1gqh s ALA 86 N -0.84 -1.40 -0.19 0.98 0.00 0.54 -2.58 121.76 118.28 1gqh s ALA 86 Ca 0.13 1.37 -0.10 0.00 0.00 0.00 0.00 51.96 53.36 1gqh s ALA 86 Cb -0.10 -0.60 0.07 0.00 0.00 0.00 0.00 23.12 22.48 1gqh s ALA 86 CO 0.03 -0.29 0.45 -1.14 0.00 0.00 0.00 175.76 174.81 1gqh s GLN 87 N -0.23 0.43 -0.07 0.00 0.74 -0.66 -0.20 119.66 119.66 1gqh s GLN 87 Ca -0.04 0.87 -0.10 0.00 0.05 0.00 0.00 55.36 56.15 1gqh s GLN 87 Cb -0.03 0.04 -0.05 0.00 1.10 0.00 0.00 33.01 34.07 1gqh s GLN 87 CO 0.03 -0.17 0.24 0.45 -0.55 0.00 0.00 175.29 175.29 1gqh s SER 88 N 1.56 6.54 0.00 6.67 0.15 -1.26 -1.95 113.70 125.41 1gqh s SER 88 Ca -0.09 0.64 0.00 0.00 0.70 0.00 0.00 55.95 57.20 1gqh s SER 88 Cb -0.08 -2.13 0.00 0.00 -1.71 0.00 0.00 66.02 62.09 1gqh s SER 88 CO -0.14 0.38 0.00 0.61 1.20 0.00 0.00 173.24 175.29 1gqh n GLY 89 N 1.90 1.33 1.80 9.45 0.00 -1.26 -0.86 105.19 117.54 1gqh n GLY 89 Ca -0.18 0.09 0.07 0.00 0.00 0.00 0.00 46.02 46.00 1gqh n GLY 89 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1gqh n ASN 90 N 0.83 5.42 -4.83 1.61 0.23 -1.26 -4.95 115.26 112.31 1gqh n ASN 90 Ca 0.00 -2.83 -0.30 0.00 -0.53 0.00 0.00 54.58 50.91 1gqh n ASN 90 Cb 0.00 -0.67 0.06 0.00 -2.08 0.00 0.00 39.78 37.09 1gqh n ASN 90 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1gqh s GLU 91 N -2.58 2.66 0.28 -3.83 2.02 -0.04 -4.97 118.70 112.24 1gqh s GLU 91 Ca 0.52 0.76 -0.30 0.00 0.02 0.00 0.00 54.97 55.97 1gqh s GLU 91 Cb 0.39 -1.97 -0.12 0.00 0.10 0.00 0.00 34.13 32.52 1gqh s GLU 91 CO 0.16 -1.24 1.53 2.41 0.02 0.00 0.00 175.26 178.14 1gqh n THR 92 N -3.20 1.03 -1.99 3.63 -1.04 -1.26 -4.64 114.28 106.81 1gqh n THR 92 Ca 0.07 -0.26 -0.42 0.00 -2.04 0.00 0.00 64.05 61.40 1gqh n THR 92 Cb 0.55 -1.81 -0.03 0.00 -1.82 0.00 0.00 70.33 67.22 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 -0.52 4.24 0.06 -2.82 0.74 -1.26 -4.73 119.66 115.36 1gqh s GLN 93 Ca 0.65 2.28 0.05 0.00 0.05 0.00 0.00 55.36 58.39 1gqh s GLN 93 Cb -0.54 -3.27 -0.04 0.00 1.10 0.00 0.00 33.01 30.26 1gqh s GLN 93 CO 0.49 -0.59 -0.07 -0.65 -0.55 0.00 0.00 175.29 173.92 1gqh s GLN 94 N 1.44 2.38 -0.12 1.67 -1.52 0.72 -4.33 119.66 119.89 1gqh s GLN 94 Ca 0.69 -0.86 -0.13 0.00 -1.95 0.00 0.00 55.36 53.11 1gqh s GLN 94 Cb -0.41 -2.42 0.03 0.00 -0.22 0.00 0.00 33.01 29.99 1gqh s GLN 94 CO 0.31 0.55 0.37 -0.08 -0.25 0.00 0.00 175.29 176.19 1gqh s THR 95 N -1.13 0.01 0.01 -0.19 -1.32 -0.67 -0.34 115.64 112.00 1gqh s THR 95 Ca 0.20 -0.05 -0.02 0.00 -1.21 0.00 0.00 61.69 60.61 1gqh s THR 95 Cb -0.11 -0.53 -0.01 0.00 -1.51 0.00 0.00 72.50 70.34 1gqh s THR 95 CO 0.12 -0.03 0.03 -0.13 -2.21 0.00 0.00 174.62 172.39 1gqh s ARG 96 N 0.02 0.29 -0.36 7.08 1.81 -0.78 -1.94 118.95 125.08 1gqh s ARG 96 Ca -0.02 -0.41 -0.17 0.00 -1.72 0.00 0.00 55.73 53.41 1gqh s ARG 96 Cb -0.03 0.11 -0.00 0.00 -0.45 0.00 0.00 34.95 34.58 1gqh s ARG 96 CO 0.01 -0.06 0.44 0.08 -0.68 0.00 0.00 175.30 175.09 1gqh s VAL 97 N -1.12 5.09 -0.07 3.52 1.01 0.68 -1.04 120.40 128.47 1gqh s VAL 97 Ca -0.12 0.10 -0.19 0.00 0.00 0.00 0.00 61.98 61.77 1gqh s VAL 97 Cb -0.07 -3.92 -0.05 0.00 0.00 0.00 0.00 36.38 32.34 1gqh s VAL 97 CO -0.00 -0.20 0.53 -0.76 0.00 0.00 0.00 175.10 174.66 1gqh s LEU 98 N 2.20 4.34 0.00 3.92 1.02 0.35 -4.92 118.68 125.59 1gqh s LEU 98 Ca 0.15 0.97 0.01 0.00 0.02 0.00 0.00 54.13 55.28 1gqh s LEU 98 Cb -0.16 -2.79 0.01 0.00 0.02 0.00 0.00 46.19 43.27 1gqh s LEU 98 CO 0.13 0.05 0.10 -1.54 0.02 0.00 0.00 176.35 175.11 1gqh n SER 99 N 3.22 2.26 -4.67 2.29 3.41 -1.26 -1.91 113.62 116.96 1gqh n SER 99 Ca -0.07 -2.00 -0.55 0.00 -0.26 0.00 0.00 58.87 55.99 1gqh n SER 99 Cb 0.51 0.07 -0.06 0.00 -0.26 0.00 0.00 64.21 64.47 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 -1.55 2.32 0.00 4.04 7.64 -1.23 -0.81 113.62 124.03 1gqh n SER 100 Ca -0.06 1.08 0.00 0.00 1.01 0.00 0.00 58.87 60.90 1gqh n SER 100 Cb 0.31 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.32 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 3.71 1.02 3.85 0.23 0.00 0.25 -4.79 105.19 109.47 1gqh n GLY 101 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.05 6.21 0.01 1.61 1.01 0.01 -3.95 116.67 118.53 1gqh s ASP 102 Ca 0.00 1.49 0.03 0.00 0.71 0.00 0.00 52.55 54.78 1gqh s ASP 102 Cb 0.00 -2.48 -0.01 0.00 1.01 0.00 0.00 42.92 41.43 1gqh s ASP 102 CO 0.00 -0.88 -0.09 -0.47 0.21 0.00 0.00 175.17 173.94 1gqh s TYR 103 N -3.00 0.79 -0.08 4.23 5.04 -0.40 -1.02 117.35 122.91 1gqh s TYR 103 Ca 0.57 -0.23 -0.00 0.00 -2.44 0.00 0.00 57.07 54.97 1gqh s TYR 103 Cb -0.11 -0.49 0.02 0.00 0.35 0.00 0.00 41.96 41.73 1gqh s TYR 103 CO 0.48 -0.01 -0.04 0.20 -1.34 0.00 0.00 175.55 174.83 1gqh s GLY 104 N -0.57 0.62 -0.22 8.97 0.00 0.12 -1.36 107.32 114.88 1gqh s GLY 104 Ca 0.01 -0.28 -0.10 0.00 0.00 0.00 0.00 44.72 44.34 1gqh s GLY 104 CO 0.00 0.81 0.15 -0.45 0.00 0.00 0.00 173.10 173.62 1gqh s SER 105 N 1.58 6.16 -0.54 1.64 0.15 0.79 -0.41 113.70 123.07 1gqh s SER 105 Ca 0.00 0.17 0.04 0.00 0.70 0.00 0.00 55.95 56.86 1gqh s SER 105 Cb -0.13 -2.10 0.15 0.00 -1.71 0.00 0.00 66.02 62.23 1gqh s SER 105 CO -0.05 0.11 0.35 -0.69 1.20 0.00 0.00 173.24 174.16 1gqh s VAL 106 N 0.80 1.83 1.03 4.45 1.01 -0.21 -2.52 120.40 126.78 1gqh s VAL 106 Ca 0.08 -3.26 -0.11 0.00 0.00 0.00 0.00 61.98 58.69 1gqh s VAL 106 Cb -0.13 -2.24 0.21 0.00 0.00 0.00 0.00 36.38 34.22 1gqh s VAL 106 CO 0.02 -0.99 1.08 -2.84 0.00 0.00 0.00 175.10 172.37 1gqh s PRO 107 N -0.41 0.10 0.53 2.72 0.02 -1.26 -1.02 135.00 135.69 1gqh s PRO 107 Ca 0.23 1.14 -0.20 0.00 0.02 0.00 0.00 61.00 62.19 1gqh s PRO 107 Cb -0.12 -1.65 -0.07 0.00 0.02 0.00 0.00 34.50 32.68 1gqh s PRO 107 CO -0.10 -3.13 0.92 0.54 -0.33 0.00 0.00 177.00 174.91 1gqh n ARG 108 N -4.53 1.01 -1.35 5.54 1.74 -1.26 -2.53 116.66 115.28 1gqh n ARG 108 Ca 0.07 0.38 -0.12 0.00 -0.77 0.00 0.00 57.85 57.41 1gqh n ARG 108 Cb 0.53 -2.06 -0.05 0.00 -1.02 0.00 0.00 32.46 29.86 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 -0.14 -4.47 -4.41 0.55 3.02 0.00 -4.89 115.26 104.93 1gqh n ASN 109 Ca 0.12 0.30 -0.37 0.00 -0.03 0.00 0.00 54.58 54.59 1gqh n ASN 109 Cb 0.45 -3.02 -0.12 0.00 -0.61 0.00 0.00 39.78 36.47 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 -2.43 4.26 0.27 2.41 1.01 -1.05 -4.53 120.40 120.34 1gqh s VAL 110 Ca 0.00 -0.42 -0.30 0.00 0.00 0.00 0.00 61.98 61.26 1gqh s VAL 110 Cb 0.00 -3.11 -0.10 0.00 0.00 0.00 0.00 36.38 33.16 1gqh s VAL 110 CO 0.00 0.17 1.43 -0.89 0.00 0.00 0.00 175.10 175.81 1gqh s THR 111 N 1.57 2.60 0.24 3.92 2.01 -0.82 -4.53 115.64 120.64 1gqh s THR 111 Ca 0.05 0.53 -0.19 0.00 0.31 0.00 0.00 61.69 62.38 1gqh s THR 111 Cb -0.16 -3.34 0.02 0.00 0.01 0.00 0.00 72.50 69.03 1gqh s THR 111 CO 0.04 0.09 0.62 -1.38 -0.69 0.00 0.00 174.62 173.31 1gqh s HIS 112 N -0.27 -0.11 0.16 4.92 -3.43 -0.61 -1.65 115.29 114.30 1gqh s HIS 112 Ca 0.57 -0.28 -0.24 0.00 -0.80 0.00 0.00 55.06 54.31 1gqh s HIS 112 Cb -0.42 0.54 0.07 0.00 -1.43 0.00 0.00 32.58 31.34 1gqh s HIS 112 CO 0.46 -1.09 1.00 -0.08 -2.00 0.00 0.00 174.74 173.03 1gqh s THR 113 N -3.91 0.00 0.25 -5.38 -1.32 -1.06 -2.28 115.64 101.94 1gqh s THR 113 Ca 0.12 -0.63 -0.08 0.00 -1.21 0.00 0.00 61.69 59.89 1gqh s THR 113 Cb -0.03 -2.32 -0.01 0.00 -1.51 0.00 0.00 72.50 68.63 1gqh s THR 113 CO 0.03 0.00 0.38 0.72 -2.21 0.00 0.00 174.62 173.54 1gqh s PHE 114 N -2.84 0.72 -0.17 9.09 -0.71 -1.26 -1.23 117.98 121.57 1gqh s PHE 114 Ca 0.16 -1.01 -0.09 0.00 -1.04 0.00 0.00 56.93 54.94 1gqh s PHE 114 Cb -0.02 -0.07 0.06 0.00 -1.21 0.00 0.00 43.02 41.78 1gqh s PHE 114 CO 0.03 -0.92 0.41 -1.14 -1.34 0.00 0.00 175.22 172.27 1gqh s GLN 115 N -3.88 0.40 -0.17 1.99 0.74 -0.22 0.05 119.66 118.56 1gqh s GLN 115 Ca 0.29 0.79 -0.27 0.00 0.05 0.00 0.00 55.36 56.21 1gqh s GLN 115 Cb 0.02 -0.02 -0.01 0.00 1.10 0.00 0.00 33.01 34.10 1gqh s GLN 115 CO 0.12 -0.16 0.93 0.42 -0.55 0.00 0.00 175.29 176.06 1gqh s ILE 116 N 1.37 4.80 -0.18 -2.34 -1.09 -1.26 -0.63 121.20 121.87 1gqh s ILE 116 Ca -0.09 1.84 -0.15 0.00 -2.23 0.00 0.00 60.65 60.02 1gqh s ILE 116 Cb -0.08 -4.23 -0.06 0.00 -1.58 0.00 0.00 42.46 36.51 1gqh s ILE 116 CO -0.12 -0.03 -0.28 1.67 -1.23 0.00 0.00 174.94 174.94 1gqh n GLN 117 N 5.47 0.51 -2.90 2.79 7.27 0.28 -1.32 117.38 129.48 1gqh n GLN 117 Ca 0.08 0.32 -0.33 0.00 0.07 0.00 0.00 57.00 57.14 1gqh n GLN 117 Cb 0.48 -1.52 -0.06 0.00 2.41 0.00 0.00 30.24 31.54 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 -6.03 6.84 0.33 1.69 1.01 -1.03 -4.38 116.67 115.10 1gqh s ASP 118 Ca -0.26 1.51 0.02 0.00 0.71 0.00 0.00 52.55 54.53 1gqh s ASP 118 Cb 0.04 -2.47 0.60 0.00 1.01 0.00 0.00 42.92 42.10 1gqh s ASP 118 CO 0.38 -0.33 1.97 -0.65 0.21 0.00 0.00 175.17 176.76 1gqh h PRO 119 N 1.92 0.90 -2.53 8.23 0.11 -1.90 -3.25 132.00 135.48 1gqh h PRO 119 Ca -0.48 -0.05 -0.70 0.00 0.11 0.00 0.00 66.00 64.87 1gqh h PRO 119 Cb 1.18 -0.20 -0.35 0.00 0.11 0.00 0.00 31.00 31.73 1gqh h PRO 119 CO 0.63 0.60 0.09 -3.47 -0.21 0.00 0.00 178.00 175.63 1gqh n ASP 120 N -4.45 5.11 -4.71 -2.05 2.03 -1.26 -4.07 116.55 107.14 1gqh n ASP 120 Ca 0.09 -3.44 -0.35 0.00 0.52 0.00 0.00 54.79 51.61 1gqh n ASP 120 Cb 0.11 -0.96 -0.09 0.00 -0.72 0.00 0.00 41.12 39.46 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 -2.71 4.68 -0.05 5.18 2.01 -1.15 -2.99 115.64 120.61 1gqh s THR 121 Ca 0.36 -0.10 0.01 0.00 0.31 0.00 0.00 61.69 62.27 1gqh s THR 121 Cb 0.11 -3.02 0.02 0.00 0.01 0.00 0.00 72.50 69.62 1gqh s THR 121 CO 0.04 0.58 -0.07 -0.70 -0.69 0.00 0.00 174.62 173.78 1gqh s GLU 122 N -0.62 1.10 -0.18 4.92 2.12 -0.29 -2.09 118.70 123.67 1gqh s GLU 122 Ca 0.11 -0.19 -0.02 0.00 0.36 0.00 0.00 54.97 55.23 1gqh s GLU 122 Cb -0.12 -1.03 -0.01 0.00 0.26 0.00 0.00 34.13 33.24 1gqh s GLU 122 CO 0.02 -0.06 -0.11 -1.64 -0.54 0.00 0.00 175.26 172.94 1gqh s MET 123 N 0.89 3.30 -0.24 4.30 -1.94 -0.06 -1.73 119.30 123.82 1gqh s MET 123 Ca -0.11 -0.69 -0.16 0.00 -1.71 0.00 0.00 55.69 53.02 1gqh s MET 123 Cb -0.15 -2.78 -0.04 0.00 2.01 0.00 0.00 34.83 33.87 1gqh s MET 123 CO 0.01 -0.05 0.42 0.99 -0.01 0.00 0.00 175.02 176.37 1gqh s THR 124 N 1.03 5.16 -0.08 2.05 2.01 0.94 -0.09 115.64 126.66 1gqh s THR 124 Ca -0.01 0.70 -0.02 0.00 0.31 0.00 0.00 61.69 62.67 1gqh s THR 124 Cb -0.15 -3.74 -0.03 0.00 0.01 0.00 0.00 72.50 68.59 1gqh s THR 124 CO -0.02 0.18 0.02 -0.83 -0.69 0.00 0.00 174.62 173.28 1gqh s GLY 125 N 1.37 1.89 -0.15 4.40 0.00 0.16 -1.26 107.32 113.73 1gqh s GLY 125 Ca 0.18 -0.80 -0.00 0.00 0.00 0.00 0.00 44.72 44.10 1gqh s GLY 125 CO 0.09 -0.57 -0.07 0.14 0.00 0.00 0.00 173.10 172.69 1gqh s VAL 126 N -0.92 1.16 -0.06 1.40 1.01 -0.94 -0.44 120.40 121.63 1gqh s VAL 126 Ca 0.14 -0.54 0.06 0.00 0.00 0.00 0.00 61.98 61.63 1gqh s VAL 126 Cb -0.11 -1.26 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 1gqh s VAL 126 CO 0.03 0.24 -0.24 -0.63 0.00 0.00 0.00 175.10 174.50 1gqh s ILE 127 N 1.63 1.98 -0.07 2.22 1.09 -0.09 -1.39 121.20 126.57 1gqh s ILE 127 Ca 0.02 -1.02 0.01 0.00 -1.10 0.00 0.00 60.65 58.57 1gqh s ILE 127 Cb -0.14 -1.68 0.02 0.00 -1.06 0.00 0.00 42.46 39.60 1gqh s ILE 127 CO -0.08 0.55 -0.09 -0.69 -0.10 0.00 0.00 174.94 174.52 1gqh s VAL 128 N -0.12 0.97 0.81 2.92 1.01 -0.87 -0.12 120.40 125.00 1gqh s VAL 128 Ca -0.04 -0.35 -0.07 0.00 0.00 0.00 0.00 61.98 61.51 1gqh s VAL 128 Cb -0.14 -0.92 0.14 0.00 0.00 0.00 0.00 36.38 35.47 1gqh s VAL 128 CO 0.04 0.33 1.12 -2.16 0.00 0.00 0.00 175.10 174.42 1gqh s PRO 129 N 0.92 1.37 0.67 2.72 0.04 -1.26 -0.54 135.00 138.91 1gqh s PRO 129 Ca -0.10 -0.72 -0.11 0.00 0.04 0.00 0.00 61.00 60.10 1gqh s PRO 129 Cb -0.15 -2.13 -0.00 0.00 0.04 0.00 0.00 34.50 32.26 1gqh s PRO 129 CO 0.01 -1.78 1.05 0.20 0.04 0.00 0.00 177.00 176.53 1gqh s GLY 130 N -4.76 1.72 0.00 0.56 0.00 -0.05 -4.38 107.32 100.40 1gqh s GLY 130 Ca 0.68 0.10 0.00 0.00 0.00 0.00 0.00 44.72 45.50 1gqh s GLY 130 CO 0.48 0.40 0.00 0.61 0.00 0.00 0.00 173.10 174.59 1gqh n GLY 131 N -1.97 0.89 0.29 0.20 0.00 -1.26 -4.71 105.19 98.62 1gqh n GLY 131 Ca 0.07 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.24 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 -2.74 116.94 117.44 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 0.05 0.19 1.05 -2.23 0.00 0.00 178.31 177.36 1gqh h GLU 133 N 0.00 0.00 -0.98 1.11 9.09 -1.95 -1.75 114.58 120.10 1gqh h GLU 133 Ca -0.00 0.00 0.20 0.00 0.05 0.00 0.00 59.36 59.61 1gqh h GLU 133 Cb 0.13 0.00 -0.09 0.00 -1.65 0.00 0.00 28.75 27.13 1gqh h GLU 133 CO 0.01 0.00 0.62 -0.44 0.05 0.00 0.00 179.01 179.24 1gqh h ASP 134 N 0.00 0.66 -0.64 3.06 3.32 -1.92 0.16 116.42 121.06 1gqh h ASP 134 Ca 0.00 0.08 0.12 0.00 0.02 0.00 0.00 57.03 57.25 1gqh h ASP 134 Cb 0.38 -0.04 -0.08 0.00 0.22 0.00 0.00 39.33 39.81 1gqh h ASP 134 CO 0.00 0.23 0.19 0.25 -1.72 0.00 0.00 179.24 178.19 1gqh h LEU 135 N 0.64 0.11 -1.07 1.55 5.85 -1.58 -1.83 115.31 118.97 1gqh h LEU 135 Ca 0.55 0.10 -0.06 0.00 0.84 0.00 0.00 57.88 59.32 1gqh h LEU 135 Cb 1.02 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 1gqh h LEU 135 CO -0.32 0.06 -0.28 -0.26 -0.34 0.00 0.00 178.44 177.30 1gqh h PHE 136 N 0.33 0.00 -0.11 1.25 0.04 -0.89 0.70 116.94 118.26 1gqh h PHE 136 Ca 0.34 0.00 -0.11 0.00 2.80 0.00 0.00 57.97 60.99 1gqh h PHE 136 Cb 0.48 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 1gqh h PHE 136 CO -0.21 0.28 -0.43 1.88 -0.60 0.00 0.00 178.31 179.23 1gqh h TYR 137 N 0.00 0.30 0.00 -0.55 0.05 -0.75 0.40 116.97 116.42 1gqh h TYR 137 Ca -0.00 -0.09 -0.02 0.00 0.05 0.00 0.00 58.73 58.67 1gqh h TYR 137 Cb 0.79 -0.07 -0.00 0.00 1.01 0.00 0.00 36.73 38.46 1gqh h TYR 137 CO 0.00 0.65 -0.14 -0.92 -1.05 0.00 0.00 178.16 176.70 1gqh h TYR 138 N 0.21 0.00 -0.17 4.88 3.20 -0.82 -3.36 116.97 120.91 1gqh h TYR 138 Ca 0.02 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.76 1gqh h TYR 138 Cb 0.86 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.11 1gqh h TYR 138 CO 0.02 0.92 -0.43 -0.07 -1.64 0.00 0.00 178.16 176.96 1gqh h LEU 139 N -1.00 0.42-10.43 2.82 3.38 -0.91 -3.46 115.31 106.14 1gqh h LEU 139 Ca -0.04 -0.19 -0.46 0.00 0.09 0.00 0.00 57.88 57.29 1gqh h LEU 139 Cb 0.91 -0.12 0.05 0.00 0.09 0.00 0.00 40.66 41.59 1gqh h LEU 139 CO -0.02 0.80 0.05 -0.83 0.09 0.00 0.00 178.44 178.52 1gqh s GLY 140 N -4.15 1.63 -0.17 0.83 0.00 0.14 -4.85 107.32 100.75 1gqh s GLY 140 Ca -0.06 -0.95 -0.03 0.00 0.00 0.00 0.00 44.72 43.68 1gqh s GLY 140 CO 0.80 -0.70 -0.04 -1.59 0.00 0.00 0.00 173.10 171.56 1gqh s THR 141 N -2.81 3.71 0.23 0.90 2.01 -0.40 -4.84 115.64 114.44 1gqh s THR 141 Ca 0.53 -0.41 -0.30 0.00 0.31 0.00 0.00 61.69 61.81 1gqh s THR 141 Cb -0.10 -2.64 -0.15 0.00 0.01 0.00 0.00 72.50 69.62 1gqh s THR 141 CO 0.41 0.47 1.12 0.59 -0.69 0.00 0.00 174.62 176.52 1gqh n ASN 142 N 3.88 1.48 -4.09 3.53 3.02 -1.26 -1.11 115.26 120.70 1gqh n ASN 142 Ca -0.18 1.16 -0.30 0.00 -0.03 0.00 0.00 54.58 55.24 1gqh n ASN 142 Cb 0.52 -1.27 -0.17 0.00 -0.61 0.00 0.00 39.78 38.25 1gqh n ASN 142 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1gqh s ALA 143 N -0.57 1.86 0.15 5.41 0.00 -0.17 -4.80 121.76 123.63 1gqh s ALA 143 Ca 0.66 -0.83 -0.06 0.00 0.00 0.00 0.00 51.96 51.73 1gqh s ALA 143 Cb -0.76 -0.87 -0.01 0.00 0.00 0.00 0.00 23.12 21.48 1gqh s ALA 143 CO 0.55 -0.04 1.40 1.15 0.00 0.00 0.00 175.76 178.82 1gqh h THR 144 N 5.91 1.33 -6.72 0.00 2.02 -1.93 -3.41 112.91 110.10 1gqh h THR 144 Ca -0.31 -2.01 -0.44 0.00 0.77 0.00 0.00 66.41 64.43 1gqh h THR 144 Cb 1.18 1.99 -0.01 0.00 -1.74 0.00 0.00 68.15 69.57 1gqh h THR 144 CO 0.51 0.62 -0.85 -0.67 0.37 0.00 0.00 175.52 175.50 1gqh n ASP 145 N -3.90 -3.52 -0.32 4.18 -0.08 -1.26 -4.82 116.55 106.84 1gqh n ASP 145 Ca -0.05 -0.90 0.06 0.00 -1.51 0.00 0.00 54.79 52.39 1gqh n ASP 145 Cb 0.70 -1.25 0.26 0.00 2.34 0.00 0.00 41.12 43.17 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 -0.70 0.98 -0.03 5.18 2.02 -1.98 -1.08 112.91 117.29 1gqh h THR 146 Ca -0.54 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.31 1gqh h THR 146 Cb 1.11 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1gqh h THR 146 CO 0.35 0.18 0.00 0.35 0.37 0.00 0.00 175.52 176.76 1gqh n THR 147 N -4.54 0.03 -2.00 3.16 -2.24 -1.26 -4.91 114.28 102.53 1gqh n THR 147 Ca 0.16 -0.18 -0.21 0.00 -2.27 0.00 0.00 64.05 61.56 1gqh n THR 147 Cb 0.29 0.14 -0.05 0.00 -2.10 0.00 0.00 70.33 68.61 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 -0.21 -0.49 -1.75 4.78 -0.00 -0.41 -4.94 115.22 112.20 1gqh n HIS 148 Ca 0.19 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.50 1gqh n HIS 148 Cb 0.26 -3.71 -0.01 0.00 -0.00 0.00 0.00 29.99 26.53 1gqh n HIS 148 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.34 173.97 1gqh n THR 149 N -3.21 1.76 -0.21 1.59 5.66 -1.26 -4.88 114.28 113.74 1gqh n THR 149 Ca -0.23 -0.44 -0.03 0.00 -3.05 0.00 0.00 64.05 60.30 1gqh n THR 149 Cb 0.68 -1.86 0.04 0.00 -1.55 0.00 0.00 70.33 67.64 1gqh n THR 149 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 1gqh h PRO 150 N 3.27 -0.09 -4.09 1.09 0.11 -1.94 -3.43 132.00 126.91 1gqh h PRO 150 Ca -0.49 0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.50 1gqh h PRO 150 Cb 1.25 0.02 -0.14 0.00 0.11 0.00 0.00 31.00 32.24 1gqh h PRO 150 CO 0.67 -0.06 -0.48 1.52 -0.21 0.00 0.00 178.00 179.44 1gqh s TYR 151 N -6.11 0.52 -0.19 0.65 -0.85 -1.26 -4.68 117.35 105.43 1gqh s TYR 151 Ca -0.14 -0.92 -0.29 0.00 -0.52 0.00 0.00 57.07 55.19 1gqh s TYR 151 Cb 0.18 -0.23 -0.01 0.00 0.38 0.00 0.00 41.96 42.28 1gqh s TYR 151 CO 0.71 -0.58 1.21 0.42 -1.52 0.00 0.00 175.55 175.79 1gqh s ILE 152 N -3.97 4.37 0.45 -3.49 -1.09 -1.26 -4.98 121.20 111.23 1gqh s ILE 152 Ca 0.16 1.66 -0.25 0.00 -2.23 0.00 0.00 60.65 59.98 1gqh s ILE 152 Cb 0.05 -4.08 -0.08 0.00 -1.58 0.00 0.00 42.46 36.77 1gqh s ILE 152 CO -0.03 -0.16 1.44 -2.84 -1.23 0.00 0.00 174.94 172.12 1gqh s PRO 153 N 3.45 3.70 0.32 2.79 0.02 -1.26 -5.03 135.00 138.99 1gqh s PRO 153 Ca 0.52 2.44 -0.29 0.00 0.02 0.00 0.00 61.00 63.69 1gqh s PRO 153 Cb -0.20 -2.67 -0.10 0.00 0.02 0.00 0.00 34.50 31.55 1gqh s PRO 153 CO 0.13 -0.82 1.36 -1.54 -0.33 0.00 0.00 177.00 175.80 1gqh s SER 154 N -0.48 6.69 0.00 2.53 1.04 -1.26 -5.22 113.70 117.00 1gqh s SER 154 Ca 0.61 2.73 0.00 0.00 0.48 0.00 0.00 55.95 59.77 1gqh s SER 154 Cb -0.44 -2.65 0.00 0.00 0.10 0.00 0.00 66.02 63.03 1gqh s SER 154 CO 0.57 -0.62 0.00 -1.20 0.98 0.00 0.00 173.24 172.97 1gqh n SER 170 N 1.10 0.00 -2.12 7.02 7.64 -1.26 -5.30 113.62 120.70 1gqh n SER 170 Ca 0.02 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.62 1gqh n SER 170 Cb 0.41 0.00 0.08 0.00 -1.01 0.00 0.00 64.21 63.69 1gqh n SER 170 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1gqh n THR 171 N 0.00 3.16 0.17 0.44 -2.24 -1.26 -4.65 114.28 109.90 1gqh n THR 171 Ca 0.00 -3.27 0.10 0.00 -2.27 0.00 0.00 64.05 58.61 1gqh n THR 171 Cb 0.00 -1.03 0.09 0.00 -2.10 0.00 0.00 70.33 67.29 1gqh n THR 171 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1gqh h LEU 172 N 1.90 0.00 -1.41 3.22 3.38 -2.00 -3.31 115.31 117.09 1gqh h LEU 172 Ca 0.50 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.45 1gqh h LEU 172 Cb 1.26 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.99 1gqh h LEU 172 CO 1.19 0.08 0.12 1.56 0.09 0.00 0.00 178.44 181.48 1gqh h GLN 173 N 0.00 0.52 0.00 1.13 4.20 -1.72 -0.45 115.11 118.78 1gqh h GLN 173 Ca -0.01 -0.07 -0.04 0.00 0.06 0.00 0.00 58.65 58.59 1gqh h GLN 173 Cb 1.07 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.75 1gqh h GLN 173 CO 0.01 0.45 -0.19 0.77 -0.67 0.00 0.00 178.83 179.20 1gqh h SER 174 N 0.52 0.00 -0.30 1.46 0.02 -1.86 -0.18 113.55 113.21 1gqh h SER 174 Ca 0.13 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1gqh h SER 174 Cb 0.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1gqh h SER 174 CO -0.01 0.19 0.00 0.49 -1.14 0.00 0.00 176.83 176.36 1gqh n PHE 175 N -3.63 0.40 -2.88 3.45 3.72 -0.33 -4.90 117.46 113.28 1gqh n PHE 175 Ca -0.01 -0.20 -0.10 0.00 -0.05 0.00 0.00 57.45 57.09 1gqh n PHE 175 Cb 0.32 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.89 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 0.48 -3.83 -3.95 4.37 2.03 -0.08 -4.91 116.55 110.65 1gqh n ASP 176 Ca 0.13 -0.21 -0.30 0.00 0.52 0.00 0.00 54.79 54.93 1gqh n ASP 176 Cb 0.31 -2.48 -0.16 0.00 -0.72 0.00 0.00 41.12 38.08 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 -3.05 1.55 -0.28 5.18 1.01 -0.35 -4.27 120.40 120.19 1gqh s VAL 177 Ca 0.22 -1.14 -0.01 0.00 0.00 0.00 0.00 61.98 61.05 1gqh s VAL 177 Cb -0.10 -1.75 0.04 0.00 0.00 0.00 0.00 36.38 34.57 1gqh s VAL 177 CO 0.28 -0.01 -0.02 -0.31 0.00 0.00 0.00 175.10 175.03 1gqh s TYR 178 N 1.40 3.22 0.67 5.22 1.51 -0.48 -2.31 117.35 126.58 1gqh s TYR 178 Ca -0.04 -1.83 -0.17 0.00 -1.01 0.00 0.00 57.07 54.02 1gqh s TYR 178 Cb -0.18 -2.08 -0.00 0.00 -0.11 0.00 0.00 41.96 39.59 1gqh s TYR 178 CO -0.07 -0.79 1.18 0.00 -1.11 0.00 0.00 175.55 174.76 1gqh n ALA 179 N 4.62 0.65 -3.47 3.71 0.00 -1.26 -0.87 120.51 123.89 1gqh n ALA 179 Ca -0.14 -0.07 -0.27 0.00 0.00 0.00 0.00 53.44 52.97 1gqh n ALA 179 Cb 0.44 -2.25 -0.10 0.00 0.00 0.00 0.00 19.45 17.54 1gqh n ALA 179 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1gqh n GLU 180 N -1.92 0.73 0.30 0.00 -0.58 -1.06 -4.81 120.64 113.30 1gqh n GLU 180 Ca 0.15 -3.53 0.20 0.00 -0.42 0.00 0.00 57.16 53.55 1gqh n GLU 180 Cb 0.48 -1.76 0.92 0.00 -0.57 0.00 0.00 31.44 30.51 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 5.25 0.00 -0.54 -4.62 3.38 -1.94 -2.29 115.31 114.56 1gqh h LEU 181 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1gqh h LEU 181 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1gqh h LEU 181 CO 0.48 0.00 -0.16 -1.54 0.09 0.00 0.00 178.44 177.31 1gqh n SER 182 N -3.06 1.00 -4.71 -0.43 3.41 -1.26 -4.88 113.62 103.69 1gqh n SER 182 Ca -0.01 -0.97 -0.42 0.00 -0.26 0.00 0.00 58.87 57.21 1gqh n SER 182 Cb 0.20 0.06 -0.03 0.00 -0.26 0.00 0.00 64.21 64.18 1gqh n SER 182 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1gqh s PHE 183 N -2.37 3.47 -0.20 7.33 5.36 -0.86 -5.02 117.98 125.70 1gqh s PHE 183 Ca 0.29 1.37 0.01 0.00 -0.96 0.00 0.00 56.93 57.64 1gqh s PHE 183 Cb 0.20 -3.37 0.03 0.00 -0.34 0.00 0.00 43.02 39.54 1gqh s PHE 183 CO 0.47 -1.07 -0.18 0.99 -1.46 0.00 0.00 175.22 173.97 1gqh s THR 184 N 1.06 2.08 0.10 0.12 2.01 -1.26 -4.94 115.64 114.81 1gqh s THR 184 Ca 0.58 -1.11 -0.31 0.00 0.31 0.00 0.00 61.69 61.16 1gqh s THR 184 Cb -0.28 -1.96 -0.10 0.00 0.01 0.00 0.00 72.50 70.18 1gqh s THR 184 CO 0.29 0.40 1.77 -2.84 -0.69 0.00 0.00 174.62 173.54 1gqh s PRO 185 N 1.25 4.16 0.68 4.92 0.02 -1.26 -4.95 135.00 139.82 1gqh s PRO 185 Ca 0.02 2.50 -0.17 0.00 0.02 0.00 0.00 61.00 63.37 1gqh s PRO 185 Cb -0.15 -3.60 0.01 0.00 0.02 0.00 0.00 34.50 30.79 1gqh s PRO 185 CO -0.11 -0.81 1.28 2.89 -0.33 0.00 0.00 177.00 179.92 1gqh n ARG 186 N 5.66 0.91 -0.90 5.54 1.85 -1.26 -4.94 116.66 123.52 1gqh n ARG 186 Ca 0.17 0.37 0.04 0.00 -1.00 0.00 0.00 57.85 57.43 1gqh n ARG 186 Cb 0.39 -2.52 0.16 0.00 -1.05 0.00 0.00 32.46 29.44 1gqh n ARG 186 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1gqh n THR 187 N -2.22 1.73 -2.00 8.89 -2.24 -1.26 -4.72 114.28 112.46 1gqh n THR 187 Ca 0.15 -2.81 -0.25 0.00 -2.27 0.00 0.00 64.05 58.87 1gqh n THR 187 Cb 0.49 0.01 0.02 0.00 -2.10 0.00 0.00 70.33 68.75 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 -0.74 5.17 -4.75 3.42 5.75 -1.26 -5.04 116.55 119.09 1gqh n ASP 188 Ca 0.17 -3.75 -0.41 0.00 -0.01 0.00 0.00 54.79 50.79 1gqh n ASP 188 Cb 0.81 -0.41 -0.03 0.00 -1.03 0.00 0.00 41.12 40.45 1gqh n ASP 188 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 1gqh s THR 189 N -4.70 3.20 -0.03 2.12 2.01 -1.26 -4.72 115.64 112.25 1gqh s THR 189 Ca 0.52 1.09 -0.01 0.00 0.31 0.00 0.00 61.69 63.60 1gqh s THR 189 Cb 0.42 -3.70 0.02 0.00 0.01 0.00 0.00 72.50 69.26 1gqh s THR 189 CO 0.01 0.21 0.06 -0.69 -0.69 0.00 0.00 174.62 173.52 1gqh s VAL 190 N -0.53 -0.04 -1.65 3.82 1.01 -0.54 -4.85 120.40 117.62 1gqh s VAL 190 Ca 0.51 0.13 -0.16 0.00 0.00 0.00 0.00 61.98 62.46 1gqh s VAL 190 Cb -0.36 -0.11 0.13 0.00 0.00 0.00 0.00 36.38 36.04 1gqh s VAL 190 CO 0.42 0.05 0.80 0.59 0.00 0.00 0.00 175.10 176.96 1gqh n ASN 191 N 3.79 -3.34 -0.19 3.32 3.02 -1.26 -1.91 115.26 118.70 1gqh n ASN 191 Ca -0.22 -0.97 -0.02 0.00 -0.03 0.00 0.00 54.58 53.34 1gqh n ASN 191 Cb 0.54 -3.00 -0.01 0.00 -0.61 0.00 0.00 39.78 36.70 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 -1.50 0.55 3.31 7.41 0.00 -1.26 -4.96 105.19 108.73 1gqh n GLY 192 Ca 0.04 -0.30 -0.09 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.91 0.09 -0.11 2.61 -1.32 -0.80 -0.23 115.64 113.97 1gqh s THR 193 Ca 0.00 -1.02 -0.30 0.00 -1.21 0.00 0.00 61.69 59.16 1gqh s THR 193 Cb 0.00 -1.45 0.09 0.00 -1.51 0.00 0.00 72.50 69.63 1gqh s THR 193 CO 0.00 -0.41 0.78 0.00 -2.21 0.00 0.00 174.62 172.79 1gqh s ALA 194 N -3.87 -1.82 1.10 11.08 0.00 -0.82 -1.47 121.76 125.95 1gqh s ALA 194 Ca 0.08 1.48 -0.13 0.00 0.00 0.00 0.00 51.96 53.39 1gqh s ALA 194 Cb 0.03 -0.36 0.19 0.00 0.00 0.00 0.00 23.12 22.97 1gqh s ALA 194 CO -0.08 -0.34 0.84 -0.35 0.00 0.00 0.00 175.76 175.83 1gqh n PRO 195 N 1.08 -1.79 -2.15 0.00 -0.04 -1.26 -1.67 135.00 129.18 1gqh n PRO 195 Ca -0.16 -1.31 -0.34 0.00 -0.04 0.00 0.00 63.50 61.64 1gqh n PRO 195 Cb 0.57 -1.06 0.01 0.00 -0.04 0.00 0.00 33.50 32.98 1gqh n PRO 195 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1gqh s ALA 196 N -3.44 2.65 0.00 0.55 0.00 -1.26 -3.34 121.76 116.91 1gqh s ALA 196 Ca 0.51 0.74 0.00 0.00 0.00 0.00 0.00 51.96 53.20 1gqh s ALA 196 Cb -0.03 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.75 1gqh s ALA 196 CO 0.37 -0.87 0.00 0.27 0.00 0.00 0.00 175.76 175.54 1gqh n ASN 197 N -1.57 -1.30 -4.93 0.00 2.04 -1.26 -5.03 115.26 103.20 1gqh n ASN 197 Ca 0.11 0.00 -0.25 0.00 -0.44 0.00 0.00 54.58 54.00 1gqh n ASN 197 Cb 0.51 -0.22 0.02 0.00 -2.53 0.00 0.00 39.78 37.56 1gqh n ASN 197 CO 0.00 0.00 0.00 0.42 -0.44 0.00 0.00 177.26 177.24 1gqh s THR 198 N -2.49 3.98 -0.22 5.53 -4.23 -1.21 -5.08 115.64 111.91 1gqh s THR 198 Ca 0.00 -0.17 -0.05 0.00 -1.18 0.00 0.00 61.69 60.29 1gqh s THR 198 Cb 0.00 -3.52 -0.02 0.00 1.34 0.00 0.00 72.50 70.30 1gqh s THR 198 CO 0.00 -0.47 0.01 -0.69 -0.54 0.00 0.00 174.62 172.93 1gqh s VAL 199 N -2.78 3.86 -0.30 2.29 1.01 -1.26 -5.05 120.40 118.17 1gqh s VAL 199 Ca 0.51 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 62.16 1gqh s VAL 199 Cb -0.10 -2.77 0.14 0.00 0.00 0.00 0.00 36.38 33.64 1gqh s VAL 199 CO 0.42 0.40 0.32 0.86 0.00 0.00 0.00 175.10 177.09 1gqh s TRP 200 N 1.38 -0.49 -0.90 5.22 -0.00 -1.26 -4.86 118.94 118.03 1gqh s TRP 200 Ca 0.05 -0.22 0.00 0.00 -0.00 0.00 0.00 56.10 55.93 1gqh s TRP 200 Cb -0.15 -0.43 0.00 0.00 -0.00 0.00 0.00 33.47 32.90 1gqh s TRP 200 CO 0.01 -0.94 0.00 0.72 -0.00 0.00 0.00 176.95 176.74 1gqh n HIS 201 N 5.16 0.00 -0.45 5.86 8.25 -1.26 -4.85 115.22 127.94 1gqh n HIS 201 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1gqh n HIS 201 Cb 0.46 -1.87 0.00 0.00 1.12 0.00 0.00 29.99 29.70 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 -2.61 0.45 0.00 1.59 -2.24 -1.26 -5.11 114.28 105.10 1gqh n THR 202 Ca -0.09 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.19 1gqh n THR 202 Cb 0.35 0.86 0.00 0.00 -2.10 0.00 0.00 70.33 69.44 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 -0.22 0.60 3.74 3.38 0.00 -1.26 -5.10 105.19 106.32 1gqh n GLY 203 Ca 0.00 -0.98 -0.41 0.00 0.00 0.00 0.00 46.02 44.63 1gqh n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gqh n ALA 204 N -0.40 1.83 -2.92 4.61 0.00 -1.26 -4.75 120.51 117.61 1gqh n ALA 204 Ca 0.00 0.32 -0.33 0.00 0.00 0.00 0.00 53.44 53.43 1gqh n ALA 204 Cb 0.00 -2.34 -0.14 0.00 0.00 0.00 0.00 19.45 16.97 1gqh n ALA 204 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1gqh s ASN 205 N -0.29 4.01 0.11 0.00 0.02 -0.06 -4.96 114.94 113.77 1gqh s ASN 205 Ca 0.56 -0.29 0.03 0.00 -1.02 0.00 0.00 52.86 52.14 1gqh s ASN 205 Cb -0.51 -1.41 -0.04 0.00 0.02 0.00 0.00 41.25 39.31 1gqh s ASN 205 CO 0.62 0.21 0.17 0.00 0.02 0.00 0.00 177.10 178.12 1gqh s ALA 206 N 0.07 3.75 0.57 0.60 0.00 -1.26 -4.06 121.76 121.43 1gqh s ALA 206 Ca -0.05 -1.03 -0.19 0.00 0.00 0.00 0.00 51.96 50.69 1gqh s ALA 206 Cb -0.15 -1.58 -0.05 0.00 0.00 0.00 0.00 23.12 21.35 1gqh s ALA 206 CO 0.04 0.66 1.14 -0.51 0.00 0.00 0.00 175.76 177.10 1gqh s LEU 207 N -2.78 3.69 0.31 0.00 1.02 -1.26 -4.79 118.68 114.87 1gqh s LEU 207 Ca 0.32 2.20 -0.30 0.00 0.02 0.00 0.00 54.13 56.38 1gqh s LEU 207 Cb -0.12 -4.58 -0.11 0.00 0.02 0.00 0.00 46.19 41.40 1gqh s LEU 207 CO 0.25 -1.34 1.58 0.00 0.02 0.00 0.00 176.35 176.86 1gqh n ALA 208 N -1.49 2.56 0.52 4.21 0.00 -1.26 -4.86 120.51 120.19 1gqh n ALA 208 Ca 0.12 0.36 0.12 0.00 0.00 0.00 0.00 53.44 54.05 1gqh n ALA 208 Cb 0.51 -2.46 0.25 0.00 0.00 0.00 0.00 19.45 17.74 1gqh n ALA 208 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1gqh h SER 209 N 4.44 0.00 -3.40 0.00 4.64 -1.96 -3.44 113.55 113.81 1gqh h SER 209 Ca -0.48 -0.09 -0.65 0.00 -0.47 0.00 0.00 61.79 60.10 1gqh h SER 209 Cb 1.23 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 63.06 1gqh h SER 209 CO 0.76 0.05 -0.70 -0.89 -0.87 0.00 0.00 176.83 175.18 1gqh s THR 210 N -3.16 3.57 0.35 2.95 2.01 -1.26 -5.02 115.64 115.08 1gqh s THR 210 Ca 0.07 -0.44 -0.28 0.00 0.31 0.00 0.00 61.69 61.35 1gqh s THR 210 Cb 0.12 -2.61 -0.11 0.00 0.01 0.00 0.00 72.50 69.91 1gqh s THR 210 CO 0.67 0.44 1.37 0.00 -0.69 0.00 0.00 174.62 176.41 1gqh s ALA 211 N 1.15 3.53 0.00 7.40 0.00 -1.26 -2.75 121.76 129.82 1gqh s ALA 211 Ca 0.02 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.36 1gqh s ALA 211 Cb -0.15 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.45 1gqh s ALA 211 CO -0.00 -0.79 0.00 0.41 0.00 0.00 0.00 175.76 175.38 1gqh n GLY 212 N 0.70 0.44 3.81 0.00 0.00 -1.26 -5.06 105.19 103.82 1gqh n GLY 212 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.33 6.66 0.61 1.61 1.11 -1.11 -4.80 116.67 118.41 1gqh s ASP 213 Ca 0.00 0.78 -0.15 0.00 0.18 0.00 0.00 52.55 53.36 1gqh s ASP 213 Cb 0.00 -2.21 -0.03 0.00 1.07 0.00 0.00 42.92 41.75 1gqh s ASP 213 CO 0.00 0.26 1.07 -2.16 1.18 0.00 0.00 175.17 175.52 1gqh s PRO 214 N -0.59 3.20 0.17 8.23 0.04 -1.26 -4.68 135.00 140.11 1gqh s PRO 214 Ca 0.21 1.24 -0.22 0.00 0.04 0.00 0.00 61.00 62.27 1gqh s PRO 214 Cb -0.15 -2.01 0.06 0.00 0.04 0.00 0.00 34.50 32.44 1gqh s PRO 214 CO 0.10 -0.91 0.60 1.52 0.04 0.00 0.00 177.00 178.35 1gqh s TYR 215 N -2.43 -0.48 0.03 0.56 1.13 -1.05 -4.89 117.35 110.22 1gqh s TYR 215 Ca 0.64 0.23 0.02 0.00 -1.41 0.00 0.00 57.07 56.55 1gqh s TYR 215 Cb -0.17 0.56 -0.02 0.00 -1.10 0.00 0.00 41.96 41.23 1gqh s TYR 215 CO 0.38 -0.89 -0.07 -0.06 -2.51 0.00 0.00 175.55 172.41 1gqh s PHE 216 N -3.77 0.56 -0.10 -3.49 0.40 -1.26 -0.15 117.98 110.16 1gqh s PHE 216 Ca 0.02 -0.43 -0.01 0.00 -0.60 0.00 0.00 56.93 55.92 1gqh s PHE 216 Cb -0.01 -0.35 0.03 0.00 0.51 0.00 0.00 43.02 43.20 1gqh s PHE 216 CO -0.11 -0.09 -0.05 0.42 0.70 0.00 0.00 175.22 176.10 1gqh s ILE 217 N -1.17 0.83 0.35 0.64 1.01 -0.46 -4.76 121.20 117.64 1gqh s ILE 217 Ca -0.09 -0.18 -0.26 0.00 0.00 0.00 0.00 60.65 60.12 1gqh s ILE 217 Cb -0.09 -0.90 -0.09 0.00 0.01 0.00 0.00 42.46 41.39 1gqh s ILE 217 CO 0.00 0.32 1.04 0.00 0.00 0.00 0.00 174.94 176.30 1gqh s ALA 218 N 1.79 3.20 -0.34 9.38 0.00 -1.26 -1.27 121.76 133.26 1gqh s ALA 218 Ca 0.05 0.73 -0.38 0.00 0.00 0.00 0.00 51.96 52.35 1gqh s ALA 218 Cb -0.13 -3.27 -0.14 0.00 0.00 0.00 0.00 23.12 19.58 1gqh s ALA 218 CO -0.07 -0.13 2.02 -1.71 0.00 0.00 0.00 175.76 175.86 1gqh n ASN 219 N 0.42 2.08 0.00 0.00 5.15 -1.25 -0.60 115.26 121.05 1gqh n ASN 219 Ca 0.03 0.70 0.00 0.00 -0.60 0.00 0.00 54.58 54.71 1gqh n ASN 219 Cb 0.48 -1.17 0.00 0.00 -0.53 0.00 0.00 39.78 38.56 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 5.79 0.69 0.68 8.20 0.00 -1.26 -4.90 105.19 114.39 1gqh n GLY 220 Ca 0.37 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.48 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 -2.59 0.01 -2.50 1.61 7.02 0.23 -4.89 117.44 116.33 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 0.00 -0.00 0.13 0.00 -2.42 0.00 0.00 31.31 29.02 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 -1.42 1.76 0.36 6.99 0.00 -1.26 -0.88 107.32 112.87 1gqh s GLY 222 Ca 0.20 -1.75 -0.28 0.00 0.00 0.00 0.00 44.72 42.89 1gqh s GLY 222 CO 0.21 -1.10 1.38 -4.14 0.00 0.00 0.00 173.10 169.45 1gqh s PRO 223 N -5.30 4.21 0.18 2.90 0.02 -1.26 -4.90 135.00 130.85 1gqh s PRO 223 Ca 0.69 2.35 0.07 0.00 0.02 0.00 0.00 61.00 64.13 1gqh s PRO 223 Cb -0.04 -2.99 -0.04 0.00 0.02 0.00 0.00 34.50 31.44 1gqh s PRO 223 CO 0.46 -0.36 -0.13 0.15 -0.33 0.00 0.00 177.00 176.79 1gqh s LYS 224 N -1.97 1.21 -0.02 5.54 1.02 -1.25 -3.95 119.74 120.33 1gqh s LYS 224 Ca 0.51 -1.50 0.01 0.00 0.02 0.00 0.00 55.97 55.01 1gqh s LYS 224 Cb -0.42 -0.95 0.01 0.00 -0.52 0.00 0.00 37.83 35.94 1gqh s LYS 224 CO 0.57 0.15 -0.04 0.71 -0.92 0.00 0.00 175.35 175.82 1gqh s TYR 225 N -2.96 0.51 -0.28 3.18 1.51 -0.27 -2.00 117.35 117.04 1gqh s TYR 225 Ca 0.19 -0.10 -0.10 0.00 -1.01 0.00 0.00 57.07 56.06 1gqh s TYR 225 Cb -0.00 -0.40 -0.03 0.00 -0.11 0.00 0.00 41.96 41.41 1gqh s TYR 225 CO 0.04 -0.07 0.15 -1.17 -1.11 0.00 0.00 175.55 173.39 1gqh s LEU 226 N 0.30 3.88 -0.17 -1.29 2.96 0.07 -0.75 118.68 123.67 1gqh s LEU 226 Ca -0.03 -0.20 -0.08 0.00 -0.22 0.00 0.00 54.13 53.60 1gqh s LEU 226 Cb -0.07 -2.03 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 1gqh s LEU 226 CO -0.00 -0.08 0.08 0.21 -1.32 0.00 0.00 176.35 175.23 1gqh s ASN 227 N 1.68 5.80 -0.09 3.68 3.84 0.12 -2.03 114.94 127.95 1gqh s ASN 227 Ca 0.06 0.16 0.12 0.00 0.21 0.00 0.00 52.86 53.41 1gqh s ASN 227 Cb -0.16 -1.97 0.26 0.00 -0.55 0.00 0.00 41.25 38.84 1gqh s ASN 227 CO 0.08 0.21 1.18 -1.20 -2.79 0.00 0.00 177.10 174.58 1gqh n SER 228 N 3.29 2.67 0.09 -4.21 7.64 -1.26 -1.23 113.62 120.61 1gqh n SER 228 Ca -0.17 -2.61 -0.06 0.00 1.01 0.00 0.00 58.87 57.04 1gqh n SER 228 Cb 0.53 -0.31 -0.02 0.00 -1.01 0.00 0.00 64.21 63.40 1gqh n SER 228 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 1gqh h GLN 229 N 0.69 0.04 -2.05 1.43 4.20 -1.94 -3.38 115.11 114.10 1gqh h GLN 229 Ca 0.00 -0.05 -0.51 0.00 0.06 0.00 0.00 58.65 58.15 1gqh h GLN 229 Cb 0.92 0.02 -0.40 0.00 0.30 0.00 0.00 27.48 28.31 1gqh h GLN 229 CO 0.05 0.89 -1.08 0.66 -0.67 0.00 0.00 178.83 178.68 1gqh n TYR 230 N -3.53 0.82 -3.33 2.96 4.01 -1.26 -5.01 117.16 111.81 1gqh n TYR 230 Ca -0.01 -3.82 0.00 0.00 -0.16 0.00 0.00 57.90 53.91 1gqh n TYR 230 Cb 0.83 -0.43 0.00 0.00 -0.31 0.00 0.00 39.34 39.44 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 0.38 -2.11 3.71 2.72 0.00 -1.26 -4.82 105.19 103.81 1gqh n GLY 231 Ca 0.26 -1.49 -0.36 0.00 0.00 0.00 0.00 46.02 44.42 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 -0.09 3.42 -0.01 1.61 2.02 -1.26 -4.18 117.35 118.85 1gqh s TYR 232 Ca 0.00 0.46 0.02 0.00 -0.37 0.00 0.00 57.07 57.19 1gqh s TYR 232 Cb 0.00 -2.29 -0.00 0.00 -0.40 0.00 0.00 41.96 39.27 1gqh s TYR 232 CO 0.00 0.21 -0.08 -0.65 -1.57 0.00 0.00 175.55 173.45 1gqh s GLN 233 N 0.59 0.78 -0.19 -0.62 -0.21 -0.36 -0.32 119.66 119.33 1gqh s GLN 233 Ca 0.13 -0.29 0.00 0.00 0.02 0.00 0.00 55.36 55.22 1gqh s GLN 233 Cb -0.13 -0.75 0.02 0.00 1.00 0.00 0.00 33.01 33.16 1gqh s GLN 233 CO 0.02 0.15 -0.16 0.42 -2.12 0.00 0.00 175.29 173.60 1gqh s ILE 234 N -0.02 2.35 -0.16 1.08 1.01 -0.18 0.15 121.20 125.43 1gqh s ILE 234 Ca 0.00 -0.87 -0.07 0.00 0.00 0.00 0.00 60.65 59.71 1gqh s ILE 234 Cb -0.06 -2.02 -0.04 0.00 0.01 0.00 0.00 42.46 40.35 1gqh s ILE 234 CO -0.00 0.49 0.08 -0.69 0.00 0.00 0.00 174.94 174.82 1gqh s VAL 235 N 1.32 4.95 -0.41 2.92 1.01 0.07 -0.16 120.40 130.10 1gqh s VAL 235 Ca 0.05 0.01 0.02 0.00 0.00 0.00 0.00 61.98 62.06 1gqh s VAL 235 Cb -0.14 -3.20 0.11 0.00 0.00 0.00 0.00 36.38 33.16 1gqh s VAL 235 CO -0.11 0.51 0.15 0.00 0.00 0.00 0.00 175.10 175.66 1gqh s ALA 236 N -0.09 3.08 0.34 5.51 0.00 0.17 -1.11 121.76 129.67 1gqh s ALA 236 Ca 0.07 -2.71 -0.29 0.00 0.00 0.00 0.00 51.96 49.03 1gqh s ALA 236 Cb -0.12 -2.17 -0.11 0.00 0.00 0.00 0.00 23.12 20.73 1gqh s ALA 236 CO 0.01 -1.80 1.46 -2.14 0.00 0.00 0.00 175.76 173.29 1gqh s PRO 237 N 0.69 4.18 -0.09 0.00 0.02 -1.25 -1.69 135.00 136.87 1gqh s PRO 237 Ca 0.12 2.47 0.01 0.00 0.02 0.00 0.00 61.00 63.61 1gqh s PRO 237 Cb -0.21 -3.02 -0.06 0.00 0.02 0.00 0.00 34.50 31.24 1gqh s PRO 237 CO -0.05 -0.47 -0.08 1.19 -0.33 0.00 0.00 177.00 177.26 1gqh n PHE 238 N 1.06 0.00 -3.81 6.54 3.72 0.75 -4.79 117.46 120.93 1gqh n PHE 238 Ca 0.03 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.25 1gqh n PHE 238 Cb 0.39 -0.34 -0.17 0.00 -0.94 0.00 0.00 39.48 38.43 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 -2.17 0.06 0.30 -4.37 1.01 -0.48 -4.95 120.40 109.79 1gqh s VAL 239 Ca -0.12 0.21 0.00 0.00 0.00 0.00 0.00 61.98 62.07 1gqh s VAL 239 Cb 0.03 -0.21 0.00 0.00 0.00 0.00 0.00 36.38 36.20 1gqh s VAL 239 CO 0.20 0.15 0.01 0.35 0.00 0.00 0.00 175.10 175.81 1gqh n THR 240 N 4.52 0.00 0.20 3.92 -2.24 -1.26 -1.70 114.28 117.72 1gqh n THR 240 Ca -0.20 -1.40 0.12 0.00 -2.27 0.00 0.00 64.05 60.31 1gqh n THR 240 Cb 0.50 0.26 0.70 0.00 -2.10 0.00 0.00 70.33 69.69 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 1.13 2.04 -0.54 6.98 0.00 -1.91 0.72 119.26 127.67 1gqh h ALA 241 Ca -0.25 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1gqh h ALA 241 Cb 0.75 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1gqh h ALA 241 CO 0.41 -0.17 0.31 1.15 0.00 0.00 0.00 179.25 180.95 1gqh h THR 242 N 0.00 1.17 0.11 0.00 2.02 -1.95 -1.12 112.91 113.14 1gqh h THR 242 Ca 0.06 -0.42 -0.31 0.00 0.77 0.00 0.00 66.41 66.51 1gqh h THR 242 Cb 0.26 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1gqh h THR 242 CO -0.00 0.18 -1.59 1.56 0.37 0.00 0.00 175.52 176.04 1gqh h GLN 243 N 0.72 0.22 0.03 6.66 7.50 -1.56 -3.39 115.11 125.30 1gqh h GLN 243 Ca 0.19 -0.38 -0.24 0.00 0.50 0.00 0.00 58.65 58.72 1gqh h GLN 243 Cb 0.02 0.14 0.00 0.00 0.05 0.00 0.00 27.48 27.70 1gqh h GLN 243 CO -0.03 1.06 -1.02 0.00 -1.50 0.00 0.00 178.83 177.34 1gqh h ALA 244 N 0.50 0.29 -0.46 3.87 0.00 -0.89 -3.43 119.26 119.14 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 2.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.80 1gqh h ALA 244 CO 0.15 0.84 0.00 1.04 0.00 0.00 0.00 179.25 181.28 1gqh n GLN 245 N -3.71 0.00 0.24 0.00 6.02 -0.43 -0.54 117.38 118.97 1gqh n GLN 245 Ca -0.07 0.00 0.17 0.00 -0.01 0.00 0.00 57.00 57.08 1gqh n GLN 245 Cb 0.88 0.00 0.82 0.00 1.02 0.00 0.00 30.24 32.96 1gqh n GLN 245 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 1gqh h ASP 246 N 1.50 0.00 0.28 1.08 2.03 -1.93 -0.15 116.42 119.24 1gqh h ASP 246 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1gqh h ASP 246 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1gqh h ASP 246 CO 0.00 0.00 0.00 0.71 -1.03 0.00 0.00 179.24 178.92 1gqh h THR 247 N 0.00 0.00 -5.73 1.15 1.35 -1.20 -3.46 112.91 105.02 1gqh h THR 247 Ca 0.00 -0.14 -0.26 0.00 -0.55 0.00 0.00 66.41 65.46 1gqh h THR 247 Cb 0.15 1.11 0.11 0.00 -1.73 0.00 0.00 68.15 67.79 1gqh h THR 247 CO 0.00 0.00 -0.70 -3.20 -0.25 0.00 0.00 175.52 171.37 1gqh n ASN 248 N -3.03 -6.44 -3.78 5.36 5.15 -0.07 -4.87 115.26 107.58 1gqh n ASN 248 Ca -0.02 -0.67 -0.09 0.00 -0.60 0.00 0.00 54.58 53.20 1gqh n ASN 248 Cb 0.13 -4.51 -0.03 0.00 -0.53 0.00 0.00 39.78 34.84 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 -3.30 -0.10 0.11 1.20 1.13 -1.24 -0.92 117.35 114.23 1gqh s TYR 249 Ca 0.33 -0.26 0.07 0.00 -1.41 0.00 0.00 57.07 55.80 1gqh s TYR 249 Cb -0.07 0.45 -0.04 0.00 -1.10 0.00 0.00 41.96 41.20 1gqh s TYR 249 CO 0.79 -1.00 -0.17 0.95 -2.51 0.00 0.00 175.55 173.61 1gqh s THR 250 N -3.89 1.47 -0.03 -3.49 -4.23 -0.07 -4.49 115.64 100.91 1gqh s THR 250 Ca 0.11 -1.60 -0.05 0.00 -1.18 0.00 0.00 61.69 58.96 1gqh s THR 250 Cb -0.02 -1.48 0.01 0.00 1.34 0.00 0.00 72.50 72.34 1gqh s THR 250 CO 0.00 -0.25 0.13 -0.22 -0.54 0.00 0.00 174.62 173.75 1gqh s LEU 251 N -2.16 1.52 -0.04 4.79 2.96 -0.69 -1.04 118.68 124.03 1gqh s LEU 251 Ca 0.07 0.10 -0.30 0.00 -0.22 0.00 0.00 54.13 53.78 1gqh s LEU 251 Cb -0.08 0.53 0.11 0.00 0.50 0.00 0.00 46.19 47.25 1gqh s LEU 251 CO 0.04 -0.16 1.32 -0.94 -1.32 0.00 0.00 176.35 175.29 1gqh s SER 252 N -0.45 -0.00 0.02 3.68 1.04 -0.32 -0.18 113.70 117.48 1gqh s SER 252 Ca -0.05 -0.13 0.03 0.00 0.48 0.00 0.00 55.95 56.27 1gqh s SER 252 Cb -0.03 0.10 -0.04 0.00 0.10 0.00 0.00 66.02 66.15 1gqh s SER 252 CO 0.01 -0.20 -0.02 0.42 0.98 0.00 0.00 173.24 174.42 1gqh s THR 253 N -2.07 3.96 -0.17 2.02 -4.23 -0.68 0.41 115.64 114.88 1gqh s THR 253 Ca 0.27 -0.73 0.01 0.00 -1.18 0.00 0.00 61.69 60.05 1gqh s THR 253 Cb 0.01 -2.78 0.01 0.00 1.34 0.00 0.00 72.50 71.09 1gqh s THR 253 CO -0.02 0.33 -0.19 -0.63 -0.54 0.00 0.00 174.62 173.57 1gqh s ILE 254 N -1.10 2.26 0.06 2.99 1.01 -0.80 -0.65 121.20 124.97 1gqh s ILE 254 Ca 0.20 -0.89 0.01 0.00 0.00 0.00 0.00 60.65 59.96 1gqh s ILE 254 Cb -0.11 -1.94 -0.04 0.00 0.01 0.00 0.00 42.46 40.37 1gqh s ILE 254 CO 0.11 0.53 0.18 -0.44 0.00 0.00 0.00 174.94 175.32 1gqh s SER 255 N 1.07 6.20 -0.01 3.58 0.01 0.77 -1.42 113.70 123.90 1gqh s SER 255 Ca -0.01 0.21 -0.01 0.00 1.31 0.00 0.00 55.95 57.46 1gqh s SER 255 Cb -0.14 -1.87 0.01 0.00 0.21 0.00 0.00 66.02 64.23 1gqh s SER 255 CO -0.07 0.17 0.03 -0.04 0.41 0.00 0.00 173.24 173.74 1gqh s MET 256 N -2.49 0.01 0.87 12.44 1.00 0.79 -1.01 119.30 130.91 1gqh s MET 256 Ca 0.34 0.08 -0.10 0.00 0.00 0.00 0.00 55.69 56.00 1gqh s MET 256 Cb -0.13 -0.05 0.17 0.00 0.00 0.00 0.00 34.83 34.82 1gqh s MET 256 CO 0.27 -0.05 1.20 -1.54 0.00 0.00 0.00 175.02 174.90 1gqh s SER 257 N 0.29 3.56 1.08 3.03 1.04 0.57 -1.70 113.70 121.56 1gqh s SER 257 Ca -0.02 0.02 -0.16 0.00 0.48 0.00 0.00 55.95 56.27 1gqh s SER 257 Cb -0.03 -0.18 0.23 0.00 0.10 0.00 0.00 66.02 66.14 1gqh s SER 257 CO -0.01 -2.42 1.13 0.42 0.98 0.00 0.00 173.24 173.35 1gqh s THR 258 N -3.61 1.82 -0.26 2.02 -4.23 -1.25 -4.28 115.64 105.85 1gqh s THR 258 Ca 0.71 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 61.14 1gqh s THR 258 Cb -0.04 -2.59 -0.03 0.00 1.34 0.00 0.00 72.50 71.18 1gqh s THR 258 CO 0.50 0.00 0.09 -0.89 -0.54 0.00 0.00 174.62 173.78 1gqh s THR 259 N -3.14 4.48 0.66 3.99 2.01 -1.26 -4.46 115.64 117.92 1gqh s THR 259 Ca 0.69 -0.13 -0.17 0.00 0.31 0.00 0.00 61.69 62.39 1gqh s THR 259 Cb -0.12 -3.11 -0.00 0.00 0.01 0.00 0.00 72.50 69.27 1gqh s THR 259 CO 0.56 0.31 1.21 -2.84 -0.69 0.00 0.00 174.62 173.16 1gqh s PRO 260 N 1.64 2.60 0.60 4.92 0.02 -1.26 -4.87 135.00 138.64 1gqh s PRO 260 Ca 0.06 1.78 0.31 0.00 0.02 0.00 0.00 61.00 63.17 1gqh s PRO 260 Cb -0.15 -1.89 1.82 0.00 0.02 0.00 0.00 34.50 34.30 1gqh s PRO 260 CO 0.05 -1.48 2.20 0.66 -0.33 0.00 0.00 177.00 178.10 1gqh h SER 261 N 0.32 0.00 -0.01 2.53 4.64 -2.04 -0.58 113.55 118.41 1gqh h SER 261 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1gqh h SER 261 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 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 -3.73 0.01 -4.82 2.95 -2.24 -1.26 -4.75 114.28 100.44 1gqh n THR 262 Ca -0.01 -0.03 -0.27 0.00 -2.27 0.00 0.00 64.05 61.47 1gqh n THR 262 Cb 0.18 -0.30 -0.17 0.00 -2.10 0.00 0.00 70.33 67.94 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 -1.99 1.45 -0.16 2.28 1.01 -0.23 -5.11 120.40 117.66 1gqh s VAL 263 Ca 0.35 -0.68 -0.28 0.00 0.00 0.00 0.00 61.98 61.36 1gqh s VAL 263 Cb 0.16 -1.28 -0.01 0.00 0.00 0.00 0.00 36.38 35.25 1gqh s VAL 263 CO 0.27 0.42 0.95 -0.89 0.00 0.00 0.00 175.10 175.85 1gqh s THR 264 N 0.39 4.79 0.03 3.92 2.01 -1.26 -4.73 115.64 120.80 1gqh s THR 264 Ca -0.12 1.89 -0.30 0.00 0.31 0.00 0.00 61.69 63.47 1gqh s THR 264 Cb -0.15 -4.25 -0.08 0.00 0.01 0.00 0.00 72.50 68.03 1gqh s THR 264 CO 0.05 -0.03 1.85 -0.69 -0.69 0.00 0.00 174.62 175.11 1gqh s VAL 265 N 2.36 3.06 0.78 3.82 1.01 -1.26 -4.94 120.40 125.23 1gqh s VAL 265 Ca 0.44 0.21 -0.11 0.00 0.00 0.00 0.00 61.98 62.51 1gqh s VAL 265 Cb -0.17 -3.13 0.07 0.00 0.00 0.00 0.00 36.38 33.14 1gqh s VAL 265 CO 0.13 -0.01 1.11 -2.16 0.00 0.00 0.00 175.10 174.16 1gqh s PRO 266 N 3.94 2.09 -0.17 2.72 0.04 -1.26 -5.02 135.00 137.35 1gqh s PRO 266 Ca 0.83 1.27 -0.03 0.00 0.04 0.00 0.00 61.00 63.11 1gqh s PRO 266 Cb -0.41 -1.87 -0.02 0.00 0.04 0.00 0.00 34.50 32.24 1gqh s PRO 266 CO 0.37 -1.78 -0.06 0.99 0.04 0.00 0.00 177.00 176.56 1gqh s THR 267 N -2.78 3.57 0.23 1.26 2.01 -1.26 -4.55 115.64 114.12 1gqh s THR 267 Ca 0.63 -0.46 0.08 0.00 0.31 0.00 0.00 61.69 62.25 1gqh s THR 267 Cb -0.19 -2.57 -0.04 0.00 0.01 0.00 0.00 72.50 69.72 1gqh s THR 267 CO 0.55 0.48 0.05 0.26 -0.69 0.00 0.00 174.62 175.26 1gqh s TRP 268 N 0.64 2.86 -0.29 4.92 0.52 0.15 -4.92 118.94 122.83 1gqh s TRP 268 Ca -0.04 -0.16 -0.14 0.00 0.02 0.00 0.00 56.10 55.78 1gqh s TRP 268 Cb -0.15 -1.31 0.10 0.00 -1.15 0.00 0.00 33.47 30.96 1gqh s TRP 268 CO 0.02 0.56 0.71 0.45 0.02 0.00 0.00 176.95 178.71 1gqh s SER 269 N -3.45 -0.96 0.09 2.95 0.15 -1.26 -0.40 113.70 110.82 1gqh s SER 269 Ca 0.30 1.46 0.05 0.00 0.70 0.00 0.00 55.95 58.47 1gqh s SER 269 Cb -0.08 1.63 -0.03 0.00 -1.71 0.00 0.00 66.02 65.83 1gqh s SER 269 CO 0.21 -0.22 -0.13 -0.36 1.20 0.00 0.00 173.24 173.94 1gqh s PHE 270 N 1.97 1.19 0.34 3.44 0.08 -1.26 -4.96 117.98 118.78 1gqh s PHE 270 Ca -0.09 -0.54 0.17 0.00 0.12 0.00 0.00 56.93 56.58 1gqh s PHE 270 Cb -0.07 -0.65 0.84 0.00 -0.57 0.00 0.00 43.02 42.58 1gqh s PHE 270 CO -0.19 0.06 1.85 -1.35 -0.10 0.00 0.00 175.22 175.48 1gqh h PRO 271 N 3.89 0.00 -6.16 0.24 0.11 -1.93 0.67 132.00 128.82 1gqh h PRO 271 Ca -0.39 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.14 1gqh h PRO 271 Cb 1.19 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.24 1gqh h PRO 271 CO 0.47 0.33 -0.55 0.20 -0.21 0.00 0.00 178.00 178.24 1gqh s GLY 272 N -4.30 1.75 0.75 -0.55 0.00 -1.25 -4.12 107.32 99.60 1gqh s GLY 272 Ca -0.02 -1.15 -0.14 0.00 0.00 0.00 0.00 44.72 43.40 1gqh s GLY 272 CO 0.69 -1.16 1.19 0.00 0.00 0.00 0.00 173.10 173.83 1gqh s ALA 273 N -1.71 2.08 0.14 3.20 0.00 -1.26 -4.08 121.76 120.13 1gqh s ALA 273 Ca 0.32 0.82 -0.06 0.00 0.00 0.00 0.00 51.96 53.03 1gqh s ALA 273 Cb -0.11 -3.45 -0.02 0.00 0.00 0.00 0.00 23.12 19.54 1gqh s ALA 273 CO 0.24 -1.93 0.19 0.00 0.00 0.00 0.00 175.76 174.26 1gqh s ALA 275 N -3.99 -1.05 0.02 0.00 0.00 0.06 -0.30 121.76 116.50 1gqh s ALA 275 Ca 0.18 0.23 -0.14 0.00 0.00 0.00 0.00 51.96 52.24 1gqh s ALA 275 Cb 0.05 0.49 0.02 0.00 0.00 0.00 0.00 23.12 23.68 1gqh s ALA 275 CO -0.00 -0.54 0.29 -0.59 0.00 0.00 0.00 175.76 174.92 1gqh s PHE 276 N -2.99 -0.11 -0.13 0.00 -0.12 -0.69 -1.00 117.98 112.93 1gqh s PHE 276 Ca -0.02 0.04 0.01 0.00 -0.05 0.00 0.00 56.93 56.91 1gqh s PHE 276 Cb 0.00 0.08 0.02 0.00 -0.63 0.00 0.00 43.02 42.49 1gqh s PHE 276 CO -0.06 -0.46 -0.15 -1.14 -0.05 0.00 0.00 175.22 173.36 1gqh s GLN 277 N -2.15 2.30 0.25 1.99 0.74 -0.21 -0.80 119.66 121.78 1gqh s GLN 277 Ca -0.08 -0.57 -0.30 0.00 0.05 0.00 0.00 55.36 54.46 1gqh s GLN 277 Cb -0.02 -2.04 -0.10 0.00 1.10 0.00 0.00 33.01 31.95 1gqh s GLN 277 CO -0.01 -0.16 1.47 0.08 -0.55 0.00 0.00 175.29 176.12 1gqh s VAL 278 N 1.26 2.59 -0.21 1.34 1.01 -0.04 -0.85 120.40 125.49 1gqh s VAL 278 Ca -0.00 0.49 -0.05 0.00 0.00 0.00 0.00 61.98 62.42 1gqh s VAL 278 Cb -0.14 -3.31 -0.11 0.00 0.00 0.00 0.00 36.38 32.82 1gqh s VAL 278 CO -0.07 0.08 -0.24 0.00 0.00 0.00 0.00 175.10 174.87 1gqh n GLN 279 N 2.42 0.49 -3.99 2.72 1.13 0.31 0.08 117.38 120.54 1gqh n GLN 279 Ca 0.07 0.17 -0.11 0.00 -1.94 0.00 0.00 57.00 55.19 1gqh n GLN 279 Cb 0.40 -1.34 -0.12 0.00 0.11 0.00 0.00 30.24 29.29 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 -2.41 0.31 0.41 -1.09 2.12 -0.45 -4.69 118.70 112.91 1gqh s GLU 280 Ca -0.29 -0.53 0.00 0.00 0.36 0.00 0.00 54.97 54.51 1gqh s GLU 280 Cb 0.10 -0.01 0.00 0.00 0.26 0.00 0.00 34.13 34.48 1gqh s GLU 280 CO 0.43 -0.02 0.00 0.41 -0.54 0.00 0.00 175.26 175.54 1gqh n GLY 281 N 1.86 -1.82 2.66 -1.50 0.00 -1.26 -0.86 105.19 104.27 1gqh n GLY 281 Ca -0.21 -1.87 -0.23 0.00 0.00 0.00 0.00 46.02 43.71 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 0.05 -0.11 1.61 0.52 -1.26 -4.21 118.95 115.54 1gqh s ARG 282 Ca 0.00 0.11 0.03 0.00 -0.52 0.00 0.00 55.73 55.36 1gqh s ARG 282 Cb 0.00 -1.33 0.00 0.00 0.52 0.00 0.00 34.95 34.14 1gqh s ARG 282 CO 0.00 -0.57 -0.23 0.08 0.02 0.00 0.00 175.30 174.60 1gqh s VAL 283 N 2.19 2.10 -0.10 3.52 1.01 -0.73 -0.56 120.40 127.82 1gqh s VAL 283 Ca 0.03 -0.99 -0.14 0.00 0.00 0.00 0.00 61.98 60.88 1gqh s VAL 283 Cb -0.15 -1.81 -0.05 0.00 0.00 0.00 0.00 36.38 34.37 1gqh s VAL 283 CO -0.08 0.56 0.33 -0.69 0.00 0.00 0.00 175.10 175.22 1gqh s VAL 284 N 0.48 5.23 -0.04 2.92 1.01 0.03 -0.21 120.40 129.83 1gqh s VAL 284 Ca -0.15 0.64 0.03 0.00 0.00 0.00 0.00 61.98 62.50 1gqh s VAL 284 Cb -0.17 -3.65 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1gqh s VAL 284 CO 0.06 0.48 -0.12 0.54 0.00 0.00 0.00 175.10 176.06 1gqh s VAL 285 N -0.23 1.03 -0.23 2.92 0.11 -0.35 -1.73 120.40 121.92 1gqh s VAL 285 Ca 0.20 -0.47 0.01 0.00 -2.93 0.00 0.00 61.98 58.78 1gqh s VAL 285 Cb -0.14 -0.91 0.06 0.00 -1.53 0.00 0.00 36.38 33.85 1gqh s VAL 285 CO 0.08 0.31 -0.06 -1.58 -3.33 0.00 0.00 175.10 170.52 1gqh s GLN 286 N 0.28 1.72 -0.14 1.54 0.74 0.72 -0.83 119.66 123.69 1gqh s GLN 286 Ca -0.06 -0.97 0.00 0.00 0.05 0.00 0.00 55.36 54.38 1gqh s GLN 286 Cb -0.11 -2.56 -0.01 0.00 1.10 0.00 0.00 33.01 31.43 1gqh s GLN 286 CO 0.02 -0.57 -0.15 0.42 -0.55 0.00 0.00 175.29 174.46 1gqh s ILE 287 N 1.38 2.78 0.00 -2.34 1.01 -1.26 -1.06 121.20 121.71 1gqh s ILE 287 Ca -0.05 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 59.85 1gqh s ILE 287 Cb -0.18 -2.16 0.00 0.00 0.01 0.00 0.00 42.46 40.12 1gqh s ILE 287 CO -0.06 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.01 1gqh n GLY 288 N 3.77 2.92 0.32 6.18 0.00 0.52 -1.40 105.19 117.50 1gqh n GLY 288 Ca -0.19 0.29 0.13 0.00 0.00 0.00 0.00 46.02 46.25 1gqh n GLY 288 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1gqh n ASP 289 N 5.24 1.20 -4.87 1.61 2.03 -1.26 -4.97 116.55 115.53 1gqh n ASP 289 Ca 0.00 -1.06 -0.30 0.00 0.52 0.00 0.00 54.79 53.95 1gqh n ASP 289 Cb 0.00 0.12 -0.02 0.00 -0.72 0.00 0.00 41.12 40.50 1gqh n ASP 289 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1gqh s TYR 290 N -2.39 3.50 0.45 -0.67 1.51 -0.49 -5.05 117.35 114.21 1gqh s TYR 290 Ca 0.27 1.12 -0.24 0.00 -1.01 0.00 0.00 57.07 57.21 1gqh s TYR 290 Cb 0.20 -2.53 -0.07 0.00 -0.11 0.00 0.00 41.96 39.44 1gqh s TYR 290 CO 0.48 -0.26 1.22 0.00 -1.11 0.00 0.00 175.55 175.88 1gqh s ALA 291 N -2.59 3.05 0.49 3.71 0.00 -1.26 -4.37 121.76 120.79 1gqh s ALA 291 Ca 0.53 1.06 -0.23 0.00 0.00 0.00 0.00 51.96 53.31 1gqh s ALA 291 Cb -0.10 -3.43 -0.07 0.00 0.00 0.00 0.00 23.12 19.52 1gqh s ALA 291 CO 0.36 -0.76 1.37 0.00 0.00 0.00 0.00 175.76 176.72 1gqh s ALA 292 N -1.43 3.01 -0.01 0.00 0.00 -1.26 -4.74 121.76 117.34 1gqh s ALA 292 Ca 0.62 1.35 0.02 0.00 0.00 0.00 0.00 51.96 53.94 1gqh s ALA 292 Cb -0.33 -3.56 -0.00 0.00 0.00 0.00 0.00 23.12 19.23 1gqh s ALA 292 CO 0.40 -1.22 -0.06 0.99 0.00 0.00 0.00 175.76 175.88 1gqh s THR 293 N -1.28 0.46 -0.19 0.00 2.01 -0.01 -4.95 115.64 111.67 1gqh s THR 293 Ca 0.66 -0.24 -0.12 0.00 0.31 0.00 0.00 61.69 62.30 1gqh s THR 293 Cb -0.41 -0.39 -0.05 0.00 0.01 0.00 0.00 72.50 71.67 1gqh s THR 293 CO 0.50 0.13 0.21 -0.70 -0.69 0.00 0.00 174.62 174.07 1gqh s GLU 294 N -0.11 4.20 -0.04 4.92 2.12 -1.26 -1.22 118.70 127.31 1gqh s GLU 294 Ca 0.02 -0.08 -0.02 0.00 0.36 0.00 0.00 54.97 55.24 1gqh s GLU 294 Cb -0.03 -3.44 -0.04 0.00 0.26 0.00 0.00 34.13 30.88 1gqh s GLU 294 CO -0.00 0.22 0.08 -0.51 -0.54 0.00 0.00 175.26 174.52 1gqh s LEU 295 N 0.55 3.96 0.00 2.70 1.02 0.71 -4.94 118.68 122.68 1gqh s LEU 295 Ca 0.12 0.22 0.00 0.00 0.02 0.00 0.00 54.13 54.49 1gqh s LEU 295 Cb -0.12 -2.17 0.00 0.00 0.02 0.00 0.00 46.19 43.92 1gqh s LEU 295 CO 0.02 0.32 0.00 0.61 0.02 0.00 0.00 176.35 177.31 1gqh n GLY 296 N 1.51 4.82 3.70 -3.19 0.00 -1.26 -1.77 105.19 108.99 1gqh n GLY 296 Ca -0.15 -2.13 -0.62 0.00 0.00 0.00 0.00 46.02 43.11 1gqh n GLY 296 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1gqh n SER 297 N -0.95 1.78 0.00 1.61 7.64 -1.26 -1.34 113.62 121.10 1gqh n SER 297 Ca 0.00 1.09 0.00 0.00 1.01 0.00 0.00 58.87 60.97 1gqh n SER 297 Cb 0.00 -1.02 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 1gqh n SER 297 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1gqh n GLY 298 N 4.34 2.40 3.76 0.23 0.00 0.11 -4.60 105.19 111.44 1gqh n GLY 298 Ca 0.30 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.62 6.04 -0.07 1.61 1.01 -0.45 -3.85 116.67 117.33 1gqh s ASP 299 Ca 0.00 2.60 0.04 0.00 0.71 0.00 0.00 52.55 55.90 1gqh s ASP 299 Cb 0.00 -2.63 -0.00 0.00 1.01 0.00 0.00 42.92 41.30 1gqh s ASP 299 CO 0.00 -1.03 -0.22 -0.69 0.21 0.00 0.00 175.17 173.44 1gqh s VAL 300 N -1.34 1.83 -0.08 -1.27 1.01 -0.32 -0.86 120.40 119.36 1gqh s VAL 300 Ca 0.62 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.71 1gqh s VAL 300 Cb -0.36 -1.58 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 1gqh s VAL 300 CO 0.45 0.51 -0.13 0.00 0.00 0.00 0.00 175.10 175.93 1gqh s ALA 301 N 0.20 2.67 -0.09 5.51 0.00 0.02 -0.87 121.76 129.21 1gqh s ALA 301 Ca -0.12 -0.93 0.04 0.00 0.00 0.00 0.00 51.96 50.95 1gqh s ALA 301 Cb -0.15 -1.09 0.00 0.00 0.00 0.00 0.00 23.12 21.87 1gqh s ALA 301 CO 0.06 0.43 -0.22 0.12 0.00 0.00 0.00 175.76 176.15 1gqh s PHE 302 N -0.29 2.35 -0.19 0.00 5.36 0.58 -1.70 117.98 124.08 1gqh s PHE 302 Ca 0.02 -0.91 0.01 0.00 -0.96 0.00 0.00 56.93 55.09 1gqh s PHE 302 Cb -0.13 -1.58 0.04 0.00 -0.34 0.00 0.00 43.02 41.01 1gqh s PHE 302 CO 0.03 -0.36 -0.10 0.42 -1.46 0.00 0.00 175.22 173.74 1gqh s ILE 303 N 0.30 1.61 0.60 3.12 1.01 0.58 -2.39 121.20 126.04 1gqh s ILE 303 Ca -0.16 -0.97 -0.19 0.00 0.00 0.00 0.00 60.65 59.34 1gqh s ILE 303 Cb -0.17 -1.68 -0.03 0.00 0.01 0.00 0.00 42.46 40.59 1gqh s ILE 303 CO 0.07 0.18 1.29 -2.84 0.00 0.00 0.00 174.94 173.65 1gqh s PRO 304 N 1.41 2.82 0.46 2.79 0.02 -1.26 -0.69 135.00 140.56 1gqh s PRO 304 Ca -0.01 2.05 -0.25 0.00 0.02 0.00 0.00 61.00 62.81 1gqh s PRO 304 Cb -0.16 -1.98 -0.08 0.00 0.02 0.00 0.00 34.50 32.30 1gqh s PRO 304 CO -0.08 -1.38 1.41 0.20 -0.33 0.00 0.00 177.00 176.82 1gqh s GLY 305 N -1.32 2.91 0.00 0.52 0.00 -1.26 -2.34 107.32 105.83 1gqh s GLY 305 Ca 0.78 1.44 0.00 0.00 0.00 0.00 0.00 44.72 46.94 1gqh s GLY 305 CO 0.40 2.04 0.00 0.61 0.00 0.00 0.00 173.10 176.15 1gqh n GLY 306 N 0.60 0.93 3.83 0.20 0.00 0.24 -4.89 105.19 106.10 1gqh n GLY 306 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 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 -3.72 5.42 0.28 1.61 1.01 -0.99 -4.90 120.40 119.12 1gqh s VAL 307 Ca 0.00 0.29 -0.29 0.00 0.00 0.00 0.00 61.98 61.98 1gqh s VAL 307 Cb 0.00 -3.46 -0.09 0.00 0.00 0.00 0.00 36.38 32.82 1gqh s VAL 307 CO 0.00 0.56 1.02 -1.61 0.00 0.00 0.00 175.10 175.07 1gqh s GLU 308 N -0.59 4.68 0.07 2.72 2.02 -1.26 -4.51 118.70 121.83 1gqh s GLU 308 Ca 0.14 1.62 -0.12 0.00 0.02 0.00 0.00 54.97 56.63 1gqh s GLU 308 Cb -0.12 -3.14 0.01 0.00 0.10 0.00 0.00 34.13 30.98 1gqh s GLU 308 CO 0.03 0.31 0.27 -0.59 0.02 0.00 0.00 175.26 175.30 1gqh s PHE 309 N -1.25 -0.02 -0.00 1.61 -0.71 0.47 -0.36 117.98 117.72 1gqh s PHE 309 Ca 0.45 -0.25 0.02 0.00 -1.04 0.00 0.00 56.93 56.10 1gqh s PHE 309 Cb -0.28 0.05 -0.01 0.00 -1.21 0.00 0.00 43.02 41.58 1gqh s PHE 309 CO 0.35 -0.53 -0.06 0.15 -1.34 0.00 0.00 175.22 173.79 1gqh s LYS 310 N -3.14 0.45 0.05 1.99 1.02 -0.23 0.30 119.74 120.17 1gqh s LYS 310 Ca -0.01 -0.22 -0.07 0.00 0.02 0.00 0.00 55.97 55.69 1gqh s LYS 310 Cb 0.01 -0.43 -0.01 0.00 -0.52 0.00 0.00 37.83 36.89 1gqh s LYS 310 CO -0.07 0.12 0.13 1.52 -0.92 0.00 0.00 175.35 176.13 1gqh s TYR 311 N -0.18 0.17 0.12 3.18 1.13 -1.26 -0.20 117.35 120.32 1gqh s TYR 311 Ca 0.02 -0.49 -0.24 0.00 -1.41 0.00 0.00 57.07 54.95 1gqh s TYR 311 Cb -0.02 -0.11 0.07 0.00 -1.10 0.00 0.00 41.96 40.80 1gqh s TYR 311 CO -0.00 -0.42 0.63 1.52 -2.51 0.00 0.00 175.55 174.78 1gqh s TYR 312 N -2.91 -0.54 -0.17 -3.49 -0.85 -0.70 -4.86 117.35 103.83 1gqh s TYR 312 Ca -0.02 0.41 -0.17 0.00 -0.52 0.00 0.00 57.07 56.76 1gqh s TYR 312 Cb 0.01 0.54 -0.04 0.00 0.38 0.00 0.00 41.96 42.85 1gqh s TYR 312 CO -0.06 -0.80 0.45 0.45 -1.52 0.00 0.00 175.55 174.08 1gqh s SER 313 N -2.55 6.55 0.07 -0.18 0.15 -1.26 -0.79 113.70 115.69 1gqh s SER 313 Ca 0.00 0.65 0.12 0.00 0.70 0.00 0.00 55.95 57.43 1gqh s SER 313 Cb -0.01 -2.26 -0.16 0.00 -1.71 0.00 0.00 66.02 61.88 1gqh s SER 313 CO -0.10 -0.07 0.98 -0.08 1.20 0.00 0.00 173.24 175.16 1gqh h GLU 314 N 7.15 0.00 -7.22 5.44 4.57 -1.19 -3.40 114.58 119.93 1gqh h GLU 314 Ca -0.37 0.00 -0.49 0.00 -1.18 0.00 0.00 59.36 57.32 1gqh h GLU 314 Cb 1.16 0.00 0.05 0.00 -0.16 0.00 0.00 28.75 29.80 1gqh h GLU 314 CO 0.74 0.58 0.38 0.00 -1.18 0.00 0.00 179.01 179.53 1gqh s ALA 315 N -2.75 2.90 0.43 2.92 0.00 -1.07 -4.93 121.76 119.26 1gqh s ALA 315 Ca -0.02 0.24 0.35 0.00 0.00 0.00 0.00 51.96 52.53 1gqh s ALA 315 Cb 0.09 -3.17 1.79 0.00 0.00 0.00 0.00 23.12 21.83 1gqh s ALA 315 CO 0.81 -0.60 2.17 1.88 0.00 0.00 0.00 175.76 180.02 1gqh h TYR 316 N 0.48 0.00 -2.54 0.00 0.05 -1.90 -3.38 116.97 109.68 1gqh h TYR 316 Ca -0.46 0.00 -0.09 0.00 0.05 0.00 0.00 58.73 58.22 1gqh h TYR 316 Cb 1.20 0.00 -0.26 0.00 1.01 0.00 0.00 36.73 38.68 1gqh h TYR 316 CO 0.62 0.04 -0.28 0.12 -1.05 0.00 0.00 178.16 177.61 1gqh s PHE 317 N -4.08 -0.71 0.13 4.88 2.19 -1.26 -3.93 117.98 115.21 1gqh s PHE 317 Ca -0.03 1.45 0.05 0.00 0.33 0.00 0.00 56.93 58.73 1gqh s PHE 317 Cb 0.12 0.32 -0.04 0.00 -1.31 0.00 0.00 43.02 42.11 1gqh s PHE 317 CO 0.51 -0.40 -0.11 -1.12 1.83 0.00 0.00 175.22 175.93 1gqh s SER 318 N 1.72 1.76 -0.05 6.13 0.01 -0.69 -4.28 113.70 118.30 1gqh s SER 318 Ca -0.08 -0.91 -0.02 0.00 1.31 0.00 0.00 55.95 56.26 1gqh s SER 318 Cb -0.09 -0.02 0.04 0.00 0.21 0.00 0.00 66.02 66.16 1gqh s SER 318 CO -0.14 -0.26 0.11 -0.75 0.41 0.00 0.00 173.24 172.61 1gqh s LYS 319 N -3.21 0.05 0.21 12.44 2.20 -0.04 -0.15 119.74 131.25 1gqh s LYS 319 Ca 0.12 0.31 0.08 0.00 -0.36 0.00 0.00 55.97 56.12 1gqh s LYS 319 Cb -0.01 -0.19 -0.05 0.00 -1.51 0.00 0.00 37.83 36.07 1gqh s LYS 319 CO 0.01 -0.16 -0.15 0.14 -0.36 0.00 0.00 175.35 174.83 1gqh s VAL 320 N 1.12 1.82 -0.27 4.02 -7.23 -0.50 -0.53 120.40 118.83 1gqh s VAL 320 Ca -0.09 -2.23 -0.10 0.00 -1.81 0.00 0.00 61.98 57.74 1gqh s VAL 320 Cb -0.12 -2.08 -0.05 0.00 0.56 0.00 0.00 36.38 34.69 1gqh s VAL 320 CO -0.05 -0.57 0.17 -0.22 -0.31 0.00 0.00 175.10 174.12 1gqh s LEU 321 N -3.34 3.97 -0.11 1.32 2.96 -0.03 -1.91 118.68 121.54 1gqh s LEU 321 Ca 0.23 -0.01 0.02 0.00 -0.22 0.00 0.00 54.13 54.15 1gqh s LEU 321 Cb -0.01 -2.09 -0.01 0.00 0.50 0.00 0.00 46.19 44.57 1gqh s LEU 321 CO 0.08 -0.03 -0.18 0.12 -1.32 0.00 0.00 176.35 175.02 1gqh s PHE 322 N 1.61 2.68 -0.03 5.38 5.36 0.17 -1.05 117.98 132.10 1gqh s PHE 322 Ca 0.07 -0.77 0.05 0.00 -0.96 0.00 0.00 56.93 55.32 1gqh s PHE 322 Cb -0.15 -1.76 -0.01 0.00 -0.34 0.00 0.00 43.02 40.75 1gqh s PHE 322 CO 0.09 -0.26 -0.18 0.54 -1.46 0.00 0.00 175.22 173.95 1gqh s VAL 323 N 0.24 1.48 -0.02 3.12 0.11 -0.17 -1.18 120.40 123.98 1gqh s VAL 323 Ca -0.12 -0.76 0.01 0.00 -2.93 0.00 0.00 61.98 58.17 1gqh s VAL 323 Cb -0.16 -1.25 0.02 0.00 -1.53 0.00 0.00 36.38 33.45 1gqh s VAL 323 CO 0.06 0.42 -0.02 -0.55 -3.33 0.00 0.00 175.10 171.69 1gqh s SER 324 N -0.16 0.53 -0.06 3.54 0.15 -0.20 -0.76 113.70 116.74 1gqh s SER 324 Ca 0.00 -0.06 -0.28 0.00 0.70 0.00 0.00 55.95 56.32 1gqh s SER 324 Cb -0.10 -0.22 -0.03 0.00 -1.71 0.00 0.00 66.02 63.97 1gqh s SER 324 CO 0.01 -0.05 0.89 -0.55 1.20 0.00 0.00 173.24 174.75 1gqh s SER 325 N 0.67 7.19 0.00 5.45 0.15 0.27 -0.89 113.70 126.54 1gqh s SER 325 Ca -0.07 1.45 0.00 0.00 0.70 0.00 0.00 55.95 58.03 1gqh s SER 325 Cb -0.10 -2.51 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1gqh s SER 325 CO -0.01 -0.27 0.00 0.61 1.20 0.00 0.00 173.24 174.77 1gqh n GLY 326 N 3.06 0.81 0.02 9.45 0.00 -0.10 -3.85 105.19 114.58 1gqh n GLY 326 Ca 0.04 -2.18 0.11 0.00 0.00 0.00 0.00 46.02 44.00 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 0.42 -2.31 1.61 3.41 -1.26 -3.57 113.62 111.92 1gqh n SER 327 Ca 0.00 -0.30 -0.21 0.00 -0.26 0.00 0.00 58.87 58.10 1gqh n SER 327 Cb 0.00 1.45 0.02 0.00 -0.26 0.00 0.00 64.21 65.42 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 -2.02 4.18 -2.84 4.04 9.92 -1.26 -4.89 116.55 123.68 1gqh n ASP 328 Ca -0.01 -3.45 -0.12 0.00 -0.53 0.00 0.00 54.79 50.69 1gqh n ASP 328 Cb 0.48 -0.41 0.09 0.00 -0.64 0.00 0.00 41.12 40.64 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 -0.58 -2.03 0.34 0.44 0.00 -1.26 -4.60 105.19 97.50 1gqh n GLY 329 Ca 0.35 -1.56 -0.06 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.15 -0.50 0.99 5.85 -1.97 -0.94 115.31 117.59 1gqh h LEU 330 Ca -0.16 0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.79 1gqh h LEU 330 Cb 0.48 0.57 -0.03 0.00 0.37 0.00 0.00 40.66 42.04 1gqh h LEU 330 CO 0.11 -0.31 0.32 -2.24 -0.34 0.00 0.00 178.44 175.98 1gqh h ASP 331 N -0.17 0.53 -0.69 1.25 2.03 -1.97 -0.07 116.42 117.32 1gqh h ASP 331 Ca 0.22 -0.01 -0.04 0.00 -0.73 0.00 0.00 57.03 56.48 1gqh h ASP 331 Cb 0.55 -0.12 -0.03 0.00 -0.83 0.00 0.00 39.33 38.89 1gqh h ASP 331 CO -0.66 0.38 0.28 -0.61 -1.03 0.00 0.00 179.24 177.60 1gqh h GLN 332 N 0.64 1.06 -0.37 4.15 5.75 -1.76 -0.08 115.11 124.50 1gqh h GLN 332 Ca 0.19 -0.19 -0.00 0.00 -0.15 0.00 0.00 58.65 58.51 1gqh h GLN 332 Cb -0.03 -0.17 -0.02 0.00 1.07 0.00 0.00 27.48 28.33 1gqh h GLN 332 CO -0.07 0.86 0.23 -0.97 -2.65 0.00 0.00 178.83 176.24 1gqh h ASN 333 N 1.03 0.43 -0.53 -0.69 -0.73 -0.25 0.46 115.58 115.31 1gqh h ASN 333 Ca 0.24 -0.04 -0.01 0.00 1.87 0.00 0.00 56.30 58.35 1gqh h ASN 333 Cb 0.21 -0.11 -0.02 0.00 0.27 0.00 0.00 38.32 38.66 1gqh h ASN 333 CO -0.02 0.35 0.28 -0.07 -0.37 0.00 0.00 177.43 177.60 1gqh h LEU 334 N 0.48 0.66 0.08 0.34 3.38 -0.54 -1.49 115.31 118.23 1gqh h LEU 334 Ca 0.13 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1gqh h LEU 334 Cb -0.01 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.55 1gqh h LEU 334 CO -0.03 0.58 -0.14 0.58 0.09 0.00 0.00 178.44 179.52 1gqh h VAL 335 N 0.70 0.68 0.00 1.22 2.07 -0.53 -1.98 116.25 118.41 1gqh h VAL 335 Ca 0.18 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.70 1gqh h VAL 335 Cb 0.07 0.68 -0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1gqh h VAL 335 CO -0.03 0.00 -0.04 0.78 0.02 0.00 0.00 177.57 178.30 1gqh h ASN 336 N -0.27 0.00 -0.19 0.57 2.35 -0.70 -0.84 115.58 116.49 1gqh h ASN 336 Ca 0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 1gqh h ASN 336 Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 1gqh h ASN 336 CO -0.08 0.04 0.00 0.61 -1.65 0.00 0.00 177.43 176.35 1gqh n GLY 337 N -1.40 0.51 0.00 2.83 0.00 -0.58 -4.93 105.19 101.62 1gqh n GLY 337 Ca -0.03 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 1.19 6.65 3.27 -0.02 0.00 -0.32 -4.69 105.19 111.27 1gqh n GLY 338 Ca 0.17 -2.08 -0.15 0.00 0.00 0.00 0.00 46.02 43.96 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 0.28 1.23 0.38 1.61 -1.05 -0.86 -4.95 118.70 115.34 1gqh s GLU 339 Ca 0.00 -1.62 -0.27 0.00 -0.15 0.00 0.00 54.97 52.93 1gqh s GLU 339 Cb 0.00 -0.27 -0.10 0.00 -0.44 0.00 0.00 34.13 33.32 1gqh s GLU 339 CO 0.00 -0.19 1.34 -1.21 0.95 0.00 0.00 175.26 176.15 1gqh s GLU 340 N -3.96 4.10 -0.05 -4.83 2.02 -1.26 -0.75 118.70 113.96 1gqh s GLU 340 Ca 0.29 2.26 -0.05 0.00 0.02 0.00 0.00 54.97 57.50 1gqh s GLU 340 Cb 0.07 -2.88 0.02 0.00 0.10 0.00 0.00 34.13 31.43 1gqh s GLU 340 CO 0.08 -0.42 0.14 -0.46 0.02 0.00 0.00 175.26 174.61 1gqh s TRP 341 N -1.20 -0.15 -0.33 1.61 -0.11 -0.85 -4.68 118.94 113.24 1gqh s TRP 341 Ca 0.54 0.38 0.16 0.00 1.22 0.00 0.00 56.10 58.39 1gqh s TRP 341 Cb -0.40 0.04 0.51 0.00 -1.50 0.00 0.00 33.47 32.11 1gqh s TRP 341 CO 0.53 -0.08 1.41 0.43 -4.62 0.00 0.00 176.95 174.62 1gqh n SER 342 N 3.14 3.82 -4.03 5.86 7.64 -1.26 -3.83 113.62 124.96 1gqh n SER 342 Ca -0.14 -2.83 -0.12 0.00 1.01 0.00 0.00 58.87 56.79 1gqh n SER 342 Cb 0.58 -0.50 -0.11 0.00 -1.01 0.00 0.00 64.21 63.17 1gqh n SER 342 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1gqh s SER 343 N -1.70 0.66 0.20 6.43 0.15 -1.26 -5.01 113.70 113.17 1gqh s SER 343 Ca 0.40 -0.51 0.26 0.00 0.70 0.00 0.00 55.95 56.80 1gqh s SER 343 Cb 0.31 0.05 0.84 0.00 -1.71 0.00 0.00 66.02 65.51 1gqh s SER 343 CO 0.11 -0.22 1.78 1.33 1.20 0.00 0.00 173.24 177.44 1gqh n VAL 344 N 1.58 0.57 -3.96 4.45 0.24 -1.26 -4.79 118.33 115.16 1gqh n VAL 344 Ca -0.23 -0.25 -0.28 0.00 -2.04 0.00 0.00 64.34 61.54 1gqh n VAL 344 Cb 0.55 -0.60 -0.04 0.00 -1.47 0.00 0.00 33.84 32.28 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 -4.42 6.20 0.42 -1.34 0.01 -1.26 -5.02 113.70 108.29 1gqh s SER 345 Ca 0.11 0.16 0.05 0.00 1.31 0.00 0.00 55.95 57.57 1gqh s SER 345 Cb 0.13 -1.85 0.01 0.00 0.21 0.00 0.00 66.02 64.51 1gqh s SER 345 CO 0.59 0.10 0.60 0.72 0.41 0.00 0.00 173.24 175.65 1gqh s PHE 346 N -1.65 3.01 0.59 2.43 -0.12 -1.26 -5.02 117.98 115.95 1gqh s PHE 346 Ca 0.34 -0.14 -0.19 0.00 -0.05 0.00 0.00 56.93 56.90 1gqh s PHE 346 Cb -0.12 -2.31 -0.06 0.00 -0.63 0.00 0.00 43.02 39.91 1gqh s PHE 346 CO 0.27 -0.36 0.92 -2.30 -0.05 0.00 0.00 175.22 173.71 1gqh n PRO 347 N -1.92 0.89 0.13 1.99 -0.02 -1.26 -4.90 135.00 129.91 1gqh n PRO 347 Ca 0.04 0.34 0.13 0.00 -2.02 0.00 0.00 63.50 61.99 1gqh n PRO 347 Cb 0.59 -2.11 0.46 0.00 -0.02 0.00 0.00 33.50 32.42 1gqh n PRO 347 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1gqh h ALA 348 N 0.54 1.00 -3.90 3.55 0.00 -2.08 -3.44 119.26 114.92 1gqh h ALA 348 Ca -0.48 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 53.86 1gqh h ALA 348 Cb 1.37 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 18.92 1gqh h ALA 348 CO 0.51 0.00 -0.84 -0.51 0.00 0.00 0.00 179.25 178.41 1gqh s ASP 349 N -4.47 2.53 0.00 0.00 1.01 -1.26 -5.29 116.67 109.19 1gqh s ASP 349 Ca 0.07 -0.59 0.14 0.00 0.71 0.00 0.00 52.55 52.87 1gqh s ASP 349 Cb 0.10 -0.18 0.82 0.00 1.01 0.00 0.00 42.92 44.68 1gqh s ASP 349 CO 0.49 0.12 1.25 0.79 0.21 0.00 0.00 175.17 178.02