#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gqh h LEU 5 N 0.00 0.17 -9.54 2.46 5.85 -1.91 -3.44 115.31 108.90 1gqh h LEU 5 Ca 0.00 -0.03 -0.52 0.00 0.84 0.00 0.00 57.88 58.17 1gqh h LEU 5 Cb 0.00 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1gqh h LEU 5 CO 0.00 0.28 0.38 -0.63 -0.34 0.00 0.00 178.44 178.12 1gqh s ILE 6 N -4.84 4.52 0.17 4.05 -1.09 -1.26 -1.32 121.20 121.44 1gqh s ILE 6 Ca -0.05 2.02 0.05 0.00 -2.23 0.00 0.00 60.65 60.44 1gqh s ILE 6 Cb 0.16 -4.29 -0.05 0.00 -1.58 0.00 0.00 42.46 36.70 1gqh s ILE 6 CO 0.72 0.28 -0.10 0.68 -1.23 0.00 0.00 174.94 175.28 1gqh s VAL 7 N 0.23 1.27 -0.12 2.92 -7.23 -0.15 -4.92 120.40 112.41 1gqh s VAL 7 Ca 0.49 -2.09 0.19 0.00 -1.81 0.00 0.00 61.98 58.76 1gqh s VAL 7 Cb -0.23 -1.97 -0.28 0.00 0.56 0.00 0.00 36.38 34.46 1gqh s VAL 7 CO 0.30 -0.65 0.25 1.21 -0.31 0.00 0.00 175.10 175.90 1gqh n GLU 8 N -0.27 0.73 -4.13 4.82 4.07 -1.26 -4.30 120.64 120.30 1gqh n GLU 8 Ca -0.09 -0.10 -0.16 0.00 -0.06 0.00 0.00 57.16 56.76 1gqh n GLU 8 Cb 0.61 -1.50 -0.12 0.00 -0.06 0.00 0.00 31.44 30.37 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 -4.95 1.33 0.33 4.31 1.01 -1.26 -1.38 116.67 116.07 1gqh s ASP 9 Ca -0.09 -0.60 -0.29 0.00 0.71 0.00 0.00 52.55 52.28 1gqh s ASP 9 Cb 0.09 -0.01 -0.11 0.00 1.01 0.00 0.00 42.92 43.90 1gqh s ASP 9 CO 0.84 -0.14 1.55 0.00 0.21 0.00 0.00 175.17 177.63 1gqh s ALA 10 N -1.39 3.67 1.03 5.23 0.00 -1.26 -4.95 121.76 124.09 1gqh s ALA 10 Ca -0.05 1.58 -0.11 0.00 0.00 0.00 0.00 51.96 53.38 1gqh s ALA 10 Cb -0.10 -3.63 0.21 0.00 0.00 0.00 0.00 23.12 19.60 1gqh s ALA 10 CO 0.01 -1.03 1.10 -2.14 0.00 0.00 0.00 175.76 173.70 1gqh s PRO 11 N -1.21 0.14 -0.02 0.00 0.02 -1.26 -4.92 135.00 127.75 1gqh s PRO 11 Ca 0.59 1.27 0.15 0.00 0.02 0.00 0.00 61.00 63.03 1gqh s PRO 11 Cb -0.47 -1.65 0.48 0.00 0.02 0.00 0.00 34.50 32.88 1gqh s PRO 11 CO 0.55 -3.14 1.39 -0.40 -0.33 0.00 0.00 177.00 175.07 1gqh n ASP 12 N -4.56 3.04 -3.68 2.53 5.68 -1.26 -3.63 116.55 114.67 1gqh n ASP 12 Ca 0.08 -2.09 -0.10 0.00 -0.50 0.00 0.00 54.79 52.18 1gqh n ASP 12 Cb 0.53 -0.39 -0.04 0.00 -1.14 0.00 0.00 41.12 40.08 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 -1.43 -0.19 0.05 2.11 -3.43 -1.25 -4.70 115.29 106.44 1gqh s HIS 13 Ca 0.36 -0.13 -0.31 0.00 -0.80 0.00 0.00 55.06 54.18 1gqh s HIS 13 Cb 0.20 0.39 -0.07 0.00 -1.43 0.00 0.00 32.58 31.67 1gqh s HIS 13 CO 0.22 -0.87 1.48 0.08 -2.00 0.00 0.00 174.74 173.66 1gqh s VAL 14 N -3.84 3.39 -0.02 -5.38 1.01 -1.25 -4.65 120.40 109.66 1gqh s VAL 14 Ca 0.07 0.85 -0.29 0.00 0.00 0.00 0.00 61.98 62.61 1gqh s VAL 14 Cb -0.00 -3.55 0.10 0.00 0.00 0.00 0.00 36.38 32.93 1gqh s VAL 14 CO -0.06 0.01 0.87 0.00 0.00 0.00 0.00 175.10 175.92 1gqh s ARG 15 N 2.21 0.83 0.31 2.72 1.70 -1.26 -5.07 118.95 120.40 1gqh s ARG 15 Ca 0.67 -0.21 -0.29 0.00 -0.47 0.00 0.00 55.73 55.43 1gqh s ARG 15 Cb -0.35 0.39 -0.11 0.00 -0.57 0.00 0.00 34.95 34.31 1gqh s ARG 15 CO 0.29 -0.35 1.44 -2.14 -1.08 0.00 0.00 175.30 173.47 1gqh s PRO 16 N -2.75 4.22 0.09 3.89 0.02 -1.26 -4.62 135.00 134.59 1gqh s PRO 16 Ca 0.03 2.40 -0.26 0.00 0.02 0.00 0.00 61.00 63.19 1gqh s PRO 16 Cb -0.01 -3.04 0.08 0.00 0.02 0.00 0.00 34.50 31.55 1gqh s PRO 16 CO -0.07 -0.42 0.80 1.52 -0.33 0.00 0.00 177.00 178.51 1gqh s TYR 17 N -0.64 -0.36 -0.03 6.54 -0.85 -1.01 -4.90 117.35 116.10 1gqh s TYR 17 Ca 0.55 0.16 0.02 0.00 -0.52 0.00 0.00 57.07 57.28 1gqh s TYR 17 Cb -0.44 0.57 0.01 0.00 0.38 0.00 0.00 41.96 42.48 1gqh s TYR 17 CO 0.52 -0.72 -0.09 0.08 -1.52 0.00 0.00 175.55 173.83 1gqh s VAL 18 N -3.38 0.76 -0.08 -3.49 1.01 -0.43 -0.64 120.40 114.14 1gqh s VAL 18 Ca 0.05 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.70 1gqh s VAL 18 Cb -0.01 -0.68 0.02 0.00 0.00 0.00 0.00 36.38 35.71 1gqh s VAL 18 CO -0.07 0.24 -0.07 -0.51 0.00 0.00 0.00 175.10 174.69 1gqh s ILE 19 N 0.27 0.84 0.59 2.22 2.07 -0.28 -0.97 121.20 125.94 1gqh s ILE 19 Ca -0.04 -0.23 -0.18 0.00 -1.41 0.00 0.00 60.65 58.79 1gqh s ILE 19 Cb -0.09 -0.86 -0.04 0.00 0.13 0.00 0.00 42.46 41.60 1gqh s ILE 19 CO 0.01 0.32 1.14 -0.13 -1.91 0.00 0.00 174.94 174.37 1gqh s ARG 20 N 1.38 3.10 0.13 3.50 1.81 -1.26 -1.76 118.95 125.85 1gqh s ARG 20 Ca -0.02 1.61 -0.35 0.00 -1.72 0.00 0.00 55.73 55.24 1gqh s ARG 20 Cb -0.14 -1.97 -0.15 0.00 -0.45 0.00 0.00 34.95 32.24 1gqh s ARG 20 CO -0.04 -1.05 1.49 1.58 -0.68 0.00 0.00 175.30 176.60 1gqh n HIS 21 N -1.67 1.97 -1.09 -0.53 -0.00 -1.25 -1.30 115.22 111.35 1gqh n HIS 21 Ca 0.12 0.42 -0.03 0.00 -0.00 0.00 0.00 57.72 58.22 1gqh n HIS 21 Cb 0.51 -2.46 -0.01 0.00 -0.00 0.00 0.00 29.99 28.03 1gqh n HIS 21 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1gqh n TYR 22 N 3.10 0.00 -0.55 1.57 4.01 -1.26 -4.98 117.16 119.05 1gqh n TYR 22 Ca 0.18 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.62 1gqh n TYR 22 Cb 0.25 -1.27 0.23 0.00 -0.31 0.00 0.00 39.34 38.24 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 -0.25 -1.21 -0.05 7.72 7.64 -0.42 -4.81 113.62 122.24 1gqh n SER 23 Ca -0.03 0.01 -0.07 0.00 1.01 0.00 0.00 58.87 59.79 1gqh n SER 23 Cb 0.27 -1.30 -0.01 0.00 -1.01 0.00 0.00 64.21 62.15 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 -2.43 -0.30 -6.83 1.43 2.76 -1.85 -3.46 115.15 104.47 1gqh h HIS 24 Ca -0.56 0.03 -0.57 0.00 -2.20 0.00 0.00 60.37 57.07 1gqh h HIS 24 Cb 1.32 0.17 -0.14 0.00 1.55 0.00 0.00 27.41 30.31 1gqh h HIS 24 CO 0.33 -0.19 -0.94 0.00 -1.30 0.00 0.00 177.93 175.83 1gqh n ALA 25 N -2.61 -2.03 -4.09 5.26 0.00 -0.48 -0.69 120.51 115.87 1gqh n ALA 25 Ca -0.01 -0.36 -0.32 0.00 0.00 0.00 0.00 53.44 52.75 1gqh n ALA 25 Cb 0.21 -1.15 -0.02 0.00 0.00 0.00 0.00 19.45 18.49 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 -4.52 -3.54 -1.64 0.00 1.74 -1.26 -1.28 116.66 106.16 1gqh n ARG 26 Ca -0.32 0.41 -0.43 0.00 -0.77 0.00 0.00 57.85 56.75 1gqh n ARG 26 Cb 0.69 -4.96 -0.00 0.00 -1.02 0.00 0.00 32.46 27.17 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 -4.43 0.46 -2.67 7.54 0.00 0.13 -4.77 120.51 116.77 1gqh n ALA 27 Ca -0.06 0.34 -0.09 0.00 0.00 0.00 0.00 53.44 53.62 1gqh n ALA 27 Cb 0.56 -2.12 -0.11 0.00 0.00 0.00 0.00 19.45 17.78 1gqh n ALA 27 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1gqh s VAL 28 N -1.13 0.25 0.12 0.00 0.11 -1.06 -1.99 120.40 116.70 1gqh s VAL 28 Ca 0.59 -1.25 0.08 0.00 -2.93 0.00 0.00 61.98 58.46 1gqh s VAL 28 Cb -0.61 -0.75 -0.04 0.00 -1.53 0.00 0.00 36.38 33.44 1gqh s VAL 28 CO 0.60 -0.64 -0.12 0.42 -3.33 0.00 0.00 175.10 172.03 1gqh s THR 29 N -2.26 3.23 -0.31 5.04 -4.23 0.24 -0.85 115.64 116.51 1gqh s THR 29 Ca -0.07 -1.38 0.00 0.00 -1.18 0.00 0.00 61.69 59.06 1gqh s THR 29 Cb -0.04 -2.52 0.10 0.00 1.34 0.00 0.00 72.50 71.38 1gqh s THR 29 CO -0.03 0.07 0.08 -0.69 -0.54 0.00 0.00 174.62 173.51 1gqh s VAL 30 N -1.28 1.16 0.00 2.29 1.01 -0.59 -0.26 120.40 122.73 1gqh s VAL 30 Ca 0.21 -1.56 0.00 0.00 0.00 0.00 0.00 61.98 60.63 1gqh s VAL 30 Cb -0.11 -1.86 0.00 0.00 0.00 0.00 0.00 36.38 34.42 1gqh s VAL 30 CO 0.13 -0.63 0.00 0.47 0.00 0.00 0.00 175.10 175.07 1gqh n ASP 31 N 4.73 0.00 -0.13 3.32 8.00 -1.26 -1.95 116.55 129.25 1gqh n ASP 31 Ca -0.01 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 0.18 0.00 -0.02 0.00 0.00 41.12 41.70 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 -2.99 -3.53 -2.24 -1.26 -4.91 114.28 99.35 1gqh n THR 32 Ca 0.00 -0.07 -0.39 0.00 -2.27 0.00 0.00 64.05 61.32 1gqh n THR 32 Cb 0.00 0.57 -0.06 0.00 -2.10 0.00 0.00 70.33 68.74 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 -2.79 4.54 -0.20 -0.78 -0.21 -0.82 -4.48 119.66 114.92 1gqh s GLN 33 Ca 0.15 1.13 -0.00 0.00 0.02 0.00 0.00 55.36 56.66 1gqh s GLN 33 Cb 0.18 -3.28 0.02 0.00 1.00 0.00 0.00 33.01 30.92 1gqh s GLN 33 CO 0.67 0.52 -0.15 -1.17 -2.12 0.00 0.00 175.29 173.04 1gqh s LEU 34 N -0.95 2.47 -0.06 2.90 0.20 -0.02 -1.54 118.68 121.67 1gqh s LEU 34 Ca 0.36 -0.64 -0.06 0.00 0.69 0.00 0.00 54.13 54.48 1gqh s LEU 34 Cb -0.23 -1.56 -0.04 0.00 -0.43 0.00 0.00 46.19 43.93 1gqh s LEU 34 CO 0.25 -0.02 0.19 -0.31 -0.29 0.00 0.00 176.35 176.17 1gqh s TYR 35 N 1.33 3.59 -0.01 5.38 1.51 -0.03 -1.07 117.35 128.05 1gqh s TYR 35 Ca 0.04 0.52 0.04 0.00 -1.01 0.00 0.00 57.07 56.67 1gqh s TYR 35 Cb -0.14 -1.94 -0.01 0.00 -0.11 0.00 0.00 41.96 39.76 1gqh s TYR 35 CO -0.10 0.69 -0.13 1.03 -1.11 0.00 0.00 175.55 175.94 1gqh s ARG 36 N -1.39 1.05 -0.57 -0.62 0.52 0.80 -2.56 118.95 116.17 1gqh s ARG 36 Ca 0.21 -0.45 0.01 0.00 -0.52 0.00 0.00 55.73 54.98 1gqh s ARG 36 Cb -0.13 -1.01 0.15 0.00 0.52 0.00 0.00 34.95 34.48 1gqh s ARG 36 CO 0.10 0.27 0.35 -0.06 0.02 0.00 0.00 175.30 175.98 1gqh s PHE 37 N -0.27 3.29 0.17 -0.53 0.08 -0.40 -0.45 117.98 119.86 1gqh s PHE 37 Ca 0.04 -3.00 -0.10 0.00 0.12 0.00 0.00 56.93 53.99 1gqh s PHE 37 Cb -0.05 -2.98 0.04 0.00 -0.57 0.00 0.00 43.02 39.46 1gqh s PHE 37 CO -0.00 -0.78 1.60 1.88 -0.10 0.00 0.00 175.22 177.82 1gqh h TYR 38 N 6.66 1.11 -3.47 0.36 0.05 -1.58 -3.38 116.97 116.72 1gqh h TYR 38 Ca -0.04 -0.21 -0.42 0.00 0.05 0.00 0.00 58.73 58.10 1gqh h TYR 38 Cb 0.91 -0.28 -0.34 0.00 1.01 0.00 0.00 36.73 38.03 1gqh h TYR 38 CO 0.61 1.02 -0.78 0.08 -1.05 0.00 0.00 178.16 178.04 1gqh s VAL 39 N -4.92 0.62 0.50 -2.88 1.01 -0.66 -4.56 120.40 109.50 1gqh s VAL 39 Ca -0.12 -0.18 0.01 0.00 0.00 0.00 0.00 61.98 61.70 1gqh s VAL 39 Cb 0.13 -0.62 -0.01 0.00 0.00 0.00 0.00 36.38 35.88 1gqh s VAL 39 CO 0.85 0.24 0.03 0.42 0.00 0.00 0.00 175.10 176.65 1gqh s THR 40 N 0.84 0.92 0.06 3.92 -4.23 -1.26 -1.25 115.64 114.63 1gqh s THR 40 Ca -0.12 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.18 1gqh s THR 40 Cb -0.15 -2.10 -0.10 0.00 1.34 0.00 0.00 72.50 71.50 1gqh s THR 40 CO 0.01 0.00 1.33 1.23 -0.54 0.00 0.00 174.62 176.65 1gqh h GLY 41 N 1.39 -1.12 0.20 3.99 0.00 -1.85 -1.08 103.07 104.61 1gqh h GLY 41 Ca -0.42 0.54 0.13 0.00 0.00 0.00 0.00 47.33 47.59 1gqh h GLY 41 CO 0.69 -0.34 0.32 -2.55 0.00 0.00 0.00 176.54 174.66 1gqh h PRO 42 N -0.53 0.46 -0.61 4.80 0.11 -1.90 0.35 132.00 134.69 1gqh h PRO 42 Ca -0.02 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.06 1gqh h PRO 42 Cb 0.49 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.47 1gqh h PRO 42 CO -0.11 0.31 0.37 1.03 -0.21 0.00 0.00 178.00 179.38 1gqh h SER 43 N 0.48 0.72 -0.30 -2.05 0.87 -1.56 -3.09 113.55 108.62 1gqh h SER 43 Ca 0.41 -0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.93 1gqh h SER 43 Cb 0.59 -0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1gqh h SER 43 CO -0.38 0.55 0.00 -1.54 -0.53 0.00 0.00 176.83 174.93 1gqh n SER 44 N -4.41 2.78 -0.83 6.23 3.41 -0.43 -4.09 113.62 116.27 1gqh n SER 44 Ca 0.06 -1.88 -0.08 0.00 -0.26 0.00 0.00 58.87 56.70 1gqh n SER 44 Cb 0.07 -0.19 -0.02 0.00 -0.26 0.00 0.00 64.21 63.81 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 0.65 0.43 2.27 5.00 0.00 -0.69 -2.84 105.19 110.00 1gqh n GLY 45 Ca 0.11 -0.59 -0.07 0.00 0.00 0.00 0.00 46.02 45.48 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 -3.50 0.00 -0.02 1.61 4.01 0.11 -4.93 117.16 114.45 1gqh n TYR 46 Ca -0.09 0.00 -0.17 0.00 -0.16 0.00 0.00 57.90 57.47 1gqh n TYR 46 Cb 0.45 -1.53 -0.08 0.00 -0.31 0.00 0.00 39.34 37.87 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 0.24 -1.91 -0.72 0.00 -1.77 -1.42 119.26 113.69 1gqh h ALA 47 Ca -0.14 -0.58 0.22 0.00 0.00 0.00 0.00 54.91 54.41 1gqh h ALA 47 Cb 0.52 -0.00 -0.13 0.00 0.00 0.00 0.00 17.79 18.17 1gqh h ALA 47 CO 0.21 0.57 0.64 -0.59 0.00 0.00 0.00 179.25 180.08 1gqh s PHE 48 N -3.66 -0.16 -0.03 0.00 -0.12 -1.26 -3.62 117.98 109.13 1gqh s PHE 48 Ca -0.11 0.00 0.07 0.00 -0.05 0.00 0.00 56.93 56.84 1gqh s PHE 48 Cb 0.07 0.56 -0.02 0.00 -0.63 0.00 0.00 43.02 43.01 1gqh s PHE 48 CO 0.88 -0.48 -0.25 0.99 -0.05 0.00 0.00 175.22 176.31 1gqh s THR 49 N -2.84 2.13 -0.23 -4.49 2.01 0.63 -4.30 115.64 108.55 1gqh s THR 49 Ca 0.10 -1.07 0.00 0.00 0.31 0.00 0.00 61.69 61.04 1gqh s THR 49 Cb 0.00 -1.75 0.06 0.00 0.01 0.00 0.00 72.50 70.82 1gqh s THR 49 CO -0.04 0.58 -0.04 -0.22 -0.69 0.00 0.00 174.62 174.21 1gqh s LEU 50 N -0.49 2.38 0.28 4.42 0.20 -0.38 -0.64 118.68 124.45 1gqh s LEU 50 Ca 0.06 -1.12 0.07 0.00 0.69 0.00 0.00 54.13 53.84 1gqh s LEU 50 Cb -0.11 -1.10 -0.06 0.00 -0.43 0.00 0.00 46.19 44.49 1gqh s LEU 50 CO 0.00 -0.24 -0.08 0.00 -0.29 0.00 0.00 176.35 175.74 1gqh s MET 51 N 1.46 1.57 -0.03 1.98 0.23 0.57 -1.60 119.30 123.47 1gqh s MET 51 Ca -0.05 -1.78 0.05 0.00 -1.03 0.00 0.00 55.69 52.88 1gqh s MET 51 Cb -0.19 -1.26 -0.01 0.00 -1.53 0.00 0.00 34.83 31.85 1gqh s MET 51 CO -0.06 0.08 -0.18 0.20 -2.03 0.00 0.00 175.02 173.03 1gqh s GLY 52 N -3.45 0.91 -0.18 3.16 0.00 0.41 -0.25 107.32 107.92 1gqh s GLY 52 Ca 0.29 -0.74 0.00 0.00 0.00 0.00 0.00 44.72 44.27 1gqh s GLY 52 CO 0.12 -0.50 -0.17 -1.59 0.00 0.00 0.00 173.10 170.96 1gqh s THR 53 N -0.18 2.37 -0.09 0.90 2.01 0.99 -0.14 115.64 121.48 1gqh s THR 53 Ca 0.01 -0.84 0.01 0.00 0.31 0.00 0.00 61.69 61.17 1gqh s THR 53 Cb -0.09 -2.01 -0.03 0.00 0.01 0.00 0.00 72.50 70.38 1gqh s THR 53 CO 0.01 0.52 -0.09 0.20 -0.69 0.00 0.00 174.62 174.56 1gqh s ASN 54 N 1.23 4.40 -0.12 3.53 -0.87 -0.23 -0.41 114.94 122.47 1gqh s ASN 54 Ca 0.03 -0.14 -0.30 0.00 -1.57 0.00 0.00 52.86 50.88 1gqh s ASN 54 Cb -0.14 -1.28 0.09 0.00 -0.02 0.00 0.00 41.25 39.90 1gqh s ASN 54 CO -0.09 0.29 0.78 0.00 -2.57 0.00 0.00 177.10 175.51 1gqh s ALA 55 N -0.37 -1.82 0.75 0.60 0.00 -0.70 -0.84 121.76 119.38 1gqh s ALA 55 Ca 0.05 1.50 -0.09 0.00 0.00 0.00 0.00 51.96 53.42 1gqh s ALA 55 Cb -0.12 -0.40 0.07 0.00 0.00 0.00 0.00 23.12 22.67 1gqh s ALA 55 CO 0.02 -0.34 1.09 -1.25 0.00 0.00 0.00 175.76 175.28 1gqh s PRO 56 N -0.90 2.08 0.43 0.00 0.04 -1.26 -2.79 135.00 132.61 1gqh s PRO 56 Ca -0.07 -0.09 -0.23 0.00 0.04 0.00 0.00 61.00 60.65 1gqh s PRO 56 Cb -0.01 -2.07 -0.11 0.00 0.04 0.00 0.00 34.50 32.35 1gqh s PRO 56 CO 0.06 -1.41 0.76 1.58 0.04 0.00 0.00 177.00 178.03 1gqh n HIS 57 N -3.11 0.27 -3.90 0.56 -0.00 -1.19 -4.74 115.22 103.11 1gqh n HIS 57 Ca 0.08 0.57 -0.11 0.00 -0.00 0.00 0.00 57.72 58.27 1gqh n HIS 57 Cb 0.61 -2.10 -0.12 0.00 -0.00 0.00 0.00 29.99 28.38 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 -0.89 0.05 0.00 0.26 0.15 -0.48 -4.99 113.70 107.81 1gqh s SER 58 Ca 0.64 -0.14 0.26 0.00 0.70 0.00 0.00 55.95 57.41 1gqh s SER 58 Cb -0.57 0.12 0.70 0.00 -1.71 0.00 0.00 66.02 64.56 1gqh s SER 58 CO 0.57 -0.17 1.54 0.47 1.20 0.00 0.00 173.24 176.85 1gqh n ASP 59 N 2.32 0.71 -4.54 5.45 8.00 -1.26 -4.66 116.55 122.57 1gqh n ASP 59 Ca -0.18 -0.53 -0.25 0.00 0.71 0.00 0.00 54.79 54.54 1gqh n ASP 59 Cb 0.57 0.14 -0.09 0.00 -0.02 0.00 0.00 41.12 41.73 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 -2.74 2.89 0.48 2.24 0.00 -1.26 -5.11 121.76 118.27 1gqh s ALA 60 Ca 0.18 -1.67 -0.22 0.00 0.00 0.00 0.00 51.96 50.25 1gqh s ALA 60 Cb 0.19 -0.55 -0.09 0.00 0.00 0.00 0.00 23.12 22.67 1gqh s ALA 60 CO 0.60 0.34 1.02 1.28 0.00 0.00 0.00 175.76 179.00 1gqh n LEU 61 N -0.41 3.09 0.08 0.00 4.77 -1.26 -4.64 117.00 118.63 1gqh n LEU 61 Ca -0.08 0.96 0.13 0.00 -0.03 0.00 0.00 56.01 56.99 1gqh n LEU 61 Cb 0.58 -1.38 0.46 0.00 -2.33 0.00 0.00 43.42 40.75 1gqh n LEU 61 CO 0.37 -1.53 0.89 0.61 -1.33 0.00 0.00 177.39 176.40 1gqh n GLY 62 N 1.18 -1.58 3.51 -0.72 0.00 0.11 -4.85 105.19 102.84 1gqh n GLY 62 Ca 0.10 -0.03 -0.14 0.00 0.00 0.00 0.00 46.02 45.96 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 -3.10 0.00 0.44 1.61 0.11 -1.26 -5.01 120.40 113.19 1gqh s VAL 63 Ca 0.10 0.00 -0.22 0.00 -2.93 0.00 0.00 61.98 58.93 1gqh s VAL 63 Cb 0.13 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.89 1gqh s VAL 63 CO 0.54 0.00 1.04 -0.76 -3.33 0.00 0.00 175.10 172.59 1gqh s LEU 64 N -1.73 3.98 0.28 2.54 1.43 -1.26 -4.58 118.68 119.34 1gqh s LEU 64 Ca -0.04 1.96 -0.29 0.00 -1.03 0.00 0.00 54.13 54.73 1gqh s LEU 64 Cb -0.00 -4.40 -0.14 0.00 0.03 0.00 0.00 46.19 41.68 1gqh s LEU 64 CO 0.00 -0.62 1.04 -2.65 0.23 0.00 0.00 176.35 174.35 1gqh n PRO 65 N -0.55 1.36 -3.83 1.29 -0.02 -1.26 -4.86 135.00 127.13 1gqh n PRO 65 Ca 0.07 0.48 -0.07 0.00 -2.02 0.00 0.00 63.50 61.96 1gqh n PRO 65 Cb 0.51 -1.87 0.00 0.00 -0.02 0.00 0.00 33.50 32.12 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 -0.93 -0.03 0.05 6.00 -3.43 -0.83 -2.53 115.29 113.60 1gqh s HIS 66 Ca 0.60 -0.49 0.05 0.00 -0.80 0.00 0.00 55.06 54.42 1gqh s HIS 66 Cb -0.71 0.75 -0.02 0.00 -1.43 0.00 0.00 32.58 31.17 1gqh s HIS 66 CO 0.59 -1.29 -0.13 0.42 -2.00 0.00 0.00 174.74 172.32 1gqh s ILE 67 N -3.00 1.04 -0.13 -5.38 1.01 0.05 -1.36 121.20 113.43 1gqh s ILE 67 Ca 0.14 -1.13 -0.00 0.00 0.00 0.00 0.00 60.65 59.66 1gqh s ILE 67 Cb -0.05 -0.98 -0.02 0.00 0.01 0.00 0.00 42.46 41.43 1gqh s ILE 67 CO 0.08 -0.14 -0.12 -1.00 0.00 0.00 0.00 174.94 173.77 1gqh s HIS 68 N -1.08 2.84 -0.16 3.97 3.76 -1.26 -1.64 115.29 121.71 1gqh s HIS 68 Ca -0.01 -0.54 0.18 0.00 -0.15 0.00 0.00 55.06 54.53 1gqh s HIS 68 Cb -0.09 -1.84 -0.04 0.00 1.11 0.00 0.00 32.58 31.72 1gqh s HIS 68 CO 0.02 -0.15 1.05 1.96 -0.85 0.00 0.00 174.74 176.77 1gqh h GLN 69 N 6.57 0.00 -0.00 1.40 4.20 -1.96 0.56 115.11 125.88 1gqh h GLN 69 Ca -0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.43 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 0.56 0.28 -0.12 1.63 -0.67 0.00 0.00 178.83 180.51 1gqh n LYS 70 N -2.94 4.81 -5.24 1.46 5.02 -1.26 -4.66 118.16 115.34 1gqh n LYS 70 Ca -0.04 -0.13 -0.31 0.00 -2.02 0.00 0.00 58.31 55.81 1gqh n LYS 70 Cb 0.75 -0.72 -0.16 0.00 -0.02 0.00 0.00 35.03 34.87 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 -1.10 2.39 -0.17 2.13 3.76 -1.26 -4.41 115.29 116.63 1gqh s HIS 71 Ca 0.02 -0.70 -0.15 0.00 -0.15 0.00 0.00 55.06 54.08 1gqh s HIS 71 Cb 0.02 -1.57 -0.04 0.00 1.11 0.00 0.00 32.58 32.10 1gqh s HIS 71 CO 0.11 -0.21 0.34 -0.47 -0.85 0.00 0.00 174.74 173.66 1gqh s TYR 72 N -0.17 3.44 0.04 1.40 6.14 0.02 -3.94 117.35 124.27 1gqh s TYR 72 Ca -0.03 0.63 0.05 0.00 0.64 0.00 0.00 57.07 58.36 1gqh s TYR 72 Cb -0.13 -2.41 -0.03 0.00 0.42 0.00 0.00 41.96 39.80 1gqh s TYR 72 CO 0.03 0.16 -0.10 -2.00 0.64 0.00 0.00 175.55 174.29 1gqh s GLU 73 N 0.72 2.35 -0.02 4.97 2.12 0.64 -1.91 118.70 127.58 1gqh s GLU 73 Ca 0.18 -0.85 0.02 0.00 0.36 0.00 0.00 54.97 54.68 1gqh s GLU 73 Cb -0.14 -2.39 0.00 0.00 0.26 0.00 0.00 34.13 31.86 1gqh s GLU 73 CO 0.06 0.56 -0.08 -0.80 -0.54 0.00 0.00 175.26 174.46 1gqh s ASN 74 N -1.64 1.10 -0.20 -1.70 0.01 -0.50 -0.31 114.94 111.70 1gqh s ASN 74 Ca 0.18 -0.17 0.01 0.00 -0.71 0.00 0.00 52.86 52.17 1gqh s ASN 74 Cb -0.11 -0.28 0.03 0.00 0.41 0.00 0.00 41.25 41.30 1gqh s ASN 74 CO 0.09 0.06 -0.17 -0.36 -1.51 0.00 0.00 177.10 175.21 1gqh s PHE 75 N 0.17 2.92 -0.11 2.20 0.40 -0.17 -1.86 117.98 121.54 1gqh s PHE 75 Ca -0.02 -1.84 0.03 0.00 -0.60 0.00 0.00 56.93 54.50 1gqh s PHE 75 Cb -0.08 -1.93 0.00 0.00 0.51 0.00 0.00 43.02 41.53 1gqh s PHE 75 CO 0.00 -0.83 -0.23 -0.47 0.70 0.00 0.00 175.22 174.40 1gqh s TYR 76 N 1.24 2.51 -0.40 0.36 5.04 -0.22 -0.65 117.35 125.22 1gqh s TYR 76 Ca 0.01 -1.09 -0.25 0.00 -2.44 0.00 0.00 57.07 53.30 1gqh s TYR 76 Cb -0.15 -1.69 0.02 0.00 0.35 0.00 0.00 41.96 40.49 1gqh s TYR 76 CO -0.11 -0.46 0.87 0.00 -1.34 0.00 0.00 175.55 174.52 1gqh h ASN 78 N 8.72 0.78 -5.29 0.00 -1.24 -1.30 -0.27 115.58 116.97 1gqh h ASN 78 Ca -0.24 -0.68 0.20 0.00 0.71 0.00 0.00 56.30 56.29 1gqh h ASN 78 Cb 1.08 -0.23 -0.10 0.00 0.73 0.00 0.00 38.32 39.80 1gqh h ASN 78 CO 0.97 1.34 0.56 -1.59 -1.29 0.00 0.00 177.43 177.42 1gqh s LYS 79 N -3.55 0.98 3.90 6.67 -2.85 -1.18 -4.50 119.74 119.20 1gqh s LYS 79 Ca -0.11 -0.52 0.00 0.00 -1.00 0.00 0.00 55.97 54.34 1gqh s LYS 79 Cb 0.06 0.35 0.00 0.00 -2.06 0.00 0.00 37.83 36.18 1gqh s LYS 79 CO 0.87 -0.45 0.00 0.41 0.10 0.00 0.00 175.35 176.28 1gqh n GLY 80 N -0.43 0.53 3.54 0.59 0.00 -1.14 -1.02 105.19 107.26 1gqh n GLY 80 Ca -0.07 -0.88 -0.14 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.50 -0.09 1.61 1.04 -1.26 -3.75 113.70 106.75 1gqh s SER 81 Ca 0.00 0.52 -0.15 0.00 0.48 0.00 0.00 55.95 56.79 1gqh s SER 81 Cb 0.00 0.42 0.03 0.00 0.10 0.00 0.00 66.02 66.57 1gqh s SER 81 CO 0.00 -0.49 0.38 0.72 0.98 0.00 0.00 173.24 174.84 1gqh s PHE 82 N -1.30 -0.36 0.13 5.02 -0.71 -0.82 -1.15 117.98 118.80 1gqh s PHE 82 Ca -0.06 0.77 -0.18 0.00 -1.04 0.00 0.00 56.93 56.42 1gqh s PHE 82 Cb -0.00 0.15 -0.07 0.00 -1.21 0.00 0.00 43.02 41.88 1gqh s PHE 82 CO 0.05 -0.31 0.60 -1.14 -1.34 0.00 0.00 175.22 173.08 1gqh s GLN 83 N -0.47 4.15 -0.06 1.99 0.74 -0.40 -0.38 119.66 125.24 1gqh s GLN 83 Ca -0.06 0.70 0.04 0.00 0.05 0.00 0.00 55.36 56.09 1gqh s GLN 83 Cb -0.04 -3.08 0.00 0.00 1.10 0.00 0.00 33.01 31.00 1gqh s GLN 83 CO 0.03 0.54 -0.17 -1.17 -0.55 0.00 0.00 175.29 173.97 1gqh s LEU 84 N -1.54 1.89 0.07 3.68 2.96 0.56 -1.80 118.68 124.49 1gqh s LEU 84 Ca 0.35 -0.38 0.08 0.00 -0.22 0.00 0.00 54.13 53.96 1gqh s LEU 84 Cb -0.18 -1.02 -0.03 0.00 0.50 0.00 0.00 46.19 45.46 1gqh s LEU 84 CO 0.20 0.13 -0.19 0.26 -1.32 0.00 0.00 176.35 175.43 1gqh s TRP 85 N 0.21 2.52 -0.07 5.38 0.51 -0.66 -1.57 118.94 125.26 1gqh s TRP 85 Ca -0.08 -0.27 -0.24 0.00 -2.12 0.00 0.00 56.10 53.38 1gqh s TRP 85 Cb -0.13 -1.42 0.05 0.00 -0.81 0.00 0.00 33.47 31.16 1gqh s TRP 85 CO 0.04 0.28 0.55 0.00 -0.51 0.00 0.00 176.95 177.30 1gqh s ALA 86 N -0.98 -1.40 -0.23 0.98 0.00 0.35 -2.60 121.76 117.88 1gqh s ALA 86 Ca 0.15 1.08 -0.12 0.00 0.00 0.00 0.00 51.96 53.07 1gqh s ALA 86 Cb -0.10 -0.17 0.07 0.00 0.00 0.00 0.00 23.12 22.92 1gqh s ALA 86 CO 0.06 -0.32 0.55 -1.14 0.00 0.00 0.00 175.76 174.91 1gqh s GLN 87 N -0.93 0.54 -0.16 0.00 0.74 -0.58 -0.06 119.66 119.20 1gqh s GLN 87 Ca -0.10 1.03 -0.07 0.00 0.05 0.00 0.00 55.36 56.28 1gqh s GLN 87 Cb -0.02 0.12 -0.04 0.00 1.10 0.00 0.00 33.01 34.16 1gqh s GLN 87 CO 0.06 -0.16 0.09 0.45 -0.55 0.00 0.00 175.29 175.18 1gqh s SER 88 N 1.66 5.89 0.42 6.67 0.15 -1.26 -1.37 113.70 125.86 1gqh s SER 88 Ca -0.09 0.21 0.00 0.00 0.70 0.00 0.00 55.95 56.77 1gqh s SER 88 Cb -0.07 -1.96 0.00 0.00 -1.71 0.00 0.00 66.02 62.28 1gqh s SER 88 CO -0.16 0.25 0.00 0.61 1.20 0.00 0.00 173.24 175.14 1gqh n GLY 89 N 3.00 2.71 1.18 9.45 0.00 -1.26 -0.95 105.19 119.32 1gqh n GLY 89 Ca -0.17 0.10 0.10 0.00 0.00 0.00 0.00 46.02 46.05 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 2.43 3.77 -4.74 1.61 6.94 -1.26 -4.99 115.26 119.01 1gqh n ASN 90 Ca 0.00 -2.06 -0.34 0.00 -0.02 0.00 0.00 54.58 52.16 1gqh n ASN 90 Cb 0.00 -0.43 0.07 0.00 -2.36 0.00 0.00 39.78 37.06 1gqh n ASN 90 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1gqh s GLU 91 N -1.12 2.43 0.24 -3.83 2.02 -0.12 -4.89 118.70 113.43 1gqh s GLU 91 Ca 0.42 1.63 -0.29 0.00 0.02 0.00 0.00 54.97 56.75 1gqh s GLU 91 Cb 0.23 -1.88 -0.15 0.00 0.10 0.00 0.00 34.13 32.42 1gqh s GLU 91 CO 0.27 -1.58 0.90 2.41 0.02 0.00 0.00 175.26 177.29 1gqh n THR 92 N -2.53 1.74 -2.33 3.63 -1.04 -1.26 -4.58 114.28 107.91 1gqh n THR 92 Ca 0.12 -0.44 -0.42 0.00 -2.04 0.00 0.00 64.05 61.28 1gqh n THR 92 Cb 0.51 -0.66 -0.03 0.00 -1.82 0.00 0.00 70.33 68.32 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 -1.14 4.41 0.02 -2.82 0.74 -1.26 -4.73 119.66 114.87 1gqh s GLN 93 Ca 0.64 1.88 0.03 0.00 0.05 0.00 0.00 55.36 57.96 1gqh s GLN 93 Cb -0.81 -3.30 -0.04 0.00 1.10 0.00 0.00 33.01 29.97 1gqh s GLN 93 CO 0.57 -0.29 -0.05 -0.65 -0.55 0.00 0.00 175.29 174.33 1gqh s GLN 94 N 0.85 2.56 -0.10 1.67 -1.52 0.91 -4.27 119.66 119.76 1gqh s GLN 94 Ca 0.60 -0.74 -0.10 0.00 -1.95 0.00 0.00 55.36 53.17 1gqh s GLN 94 Cb -0.32 -2.52 0.03 0.00 -0.22 0.00 0.00 33.01 29.97 1gqh s GLN 94 CO 0.31 0.59 0.28 -0.08 -0.25 0.00 0.00 175.29 176.14 1gqh s THR 95 N -1.07 0.00 0.05 -0.19 -1.32 -0.65 -0.50 115.64 111.95 1gqh s THR 95 Ca 0.19 -0.01 0.02 0.00 -1.21 0.00 0.00 61.69 60.68 1gqh s THR 95 Cb -0.11 -0.40 -0.03 0.00 -1.51 0.00 0.00 72.50 70.46 1gqh s THR 95 CO 0.10 -0.00 -0.07 -0.13 -2.21 0.00 0.00 174.62 172.31 1gqh s ARG 96 N 0.13 0.55 -0.36 7.08 1.81 -0.61 -2.09 118.95 125.47 1gqh s ARG 96 Ca -0.00 -0.84 -0.13 0.00 -1.72 0.00 0.00 55.73 53.05 1gqh s ARG 96 Cb -0.02 -0.23 -0.00 0.00 -0.45 0.00 0.00 34.95 34.25 1gqh s ARG 96 CO 0.00 0.03 0.24 0.08 -0.68 0.00 0.00 175.30 174.97 1gqh s VAL 97 N -1.76 5.09 -0.09 3.52 1.01 0.84 -0.33 120.40 128.69 1gqh s VAL 97 Ca -0.07 -0.43 -0.19 0.00 0.00 0.00 0.00 61.98 61.29 1gqh s VAL 97 Cb -0.07 -3.69 -0.04 0.00 0.00 0.00 0.00 36.38 32.57 1gqh s VAL 97 CO -0.01 -0.10 0.54 -0.76 0.00 0.00 0.00 175.10 174.78 1gqh s LEU 98 N 1.68 4.31 0.00 3.92 1.02 0.49 -4.93 118.68 125.17 1gqh s LEU 98 Ca 0.05 0.94 0.01 0.00 0.02 0.00 0.00 54.13 55.15 1gqh s LEU 98 Cb -0.18 -2.80 0.01 0.00 0.02 0.00 0.00 46.19 43.24 1gqh s LEU 98 CO 0.09 -0.00 0.08 -1.54 0.02 0.00 0.00 176.35 175.00 1gqh n SER 99 N 3.52 1.66 -4.65 2.29 3.41 -1.26 -1.95 113.62 116.65 1gqh n SER 99 Ca -0.06 -1.50 -0.49 0.00 -0.26 0.00 0.00 58.87 56.56 1gqh n SER 99 Cb 0.51 0.01 -0.05 0.00 -0.26 0.00 0.00 64.21 64.43 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 -1.76 2.60 0.00 4.04 7.64 -1.25 -0.75 113.62 124.15 1gqh n SER 100 Ca -0.02 1.08 0.00 0.00 1.01 0.00 0.00 58.87 60.95 1gqh n SER 100 Cb 0.16 -1.32 0.00 0.00 -1.01 0.00 0.00 64.21 62.04 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 3.27 1.65 3.85 0.23 0.00 -0.11 -4.75 105.19 109.33 1gqh n GLY 101 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.29 6.52 -0.01 1.61 1.01 0.07 -3.64 116.67 118.94 1gqh s ASP 102 Ca 0.00 1.52 0.01 0.00 0.71 0.00 0.00 52.55 54.79 1gqh s ASP 102 Cb 0.00 -2.49 0.00 0.00 1.01 0.00 0.00 42.92 41.44 1gqh s ASP 102 CO 0.00 -0.66 -0.04 -0.47 0.21 0.00 0.00 175.17 174.21 1gqh s TYR 103 N -2.76 0.45 -0.09 4.23 5.04 -0.32 -1.54 117.35 122.35 1gqh s TYR 103 Ca 0.58 -0.08 0.02 0.00 -2.44 0.00 0.00 57.07 55.14 1gqh s TYR 103 Cb -0.10 -0.33 0.02 0.00 0.35 0.00 0.00 41.96 41.90 1gqh s TYR 103 CO 0.37 -0.04 -0.13 0.20 -1.34 0.00 0.00 175.55 174.62 1gqh s GLY 104 N 0.10 0.88 -0.21 8.97 0.00 0.18 -0.95 107.32 116.30 1gqh s GLY 104 Ca -0.01 -0.54 -0.09 0.00 0.00 0.00 0.00 44.72 44.09 1gqh s GLY 104 CO -0.00 0.25 0.10 -0.45 0.00 0.00 0.00 173.10 173.00 1gqh s SER 105 N 0.92 5.82 -0.51 1.64 0.15 0.44 -1.00 113.70 121.16 1gqh s SER 105 Ca -0.09 0.09 0.03 0.00 0.70 0.00 0.00 55.95 56.68 1gqh s SER 105 Cb -0.15 -2.02 0.15 0.00 -1.71 0.00 0.00 66.02 62.29 1gqh s SER 105 CO 0.00 0.13 0.33 -0.69 1.20 0.00 0.00 173.24 174.21 1gqh s VAL 106 N 0.64 1.68 1.05 4.45 1.01 0.57 -2.72 120.40 127.08 1gqh s VAL 106 Ca 0.05 -3.08 -0.12 0.00 0.00 0.00 0.00 61.98 58.83 1gqh s VAL 106 Cb -0.13 -2.14 0.19 0.00 0.00 0.00 0.00 36.38 34.30 1gqh s VAL 106 CO 0.01 -0.98 0.89 -2.65 0.00 0.00 0.00 175.10 172.37 1gqh n PRO 107 N 2.97 -1.40 -1.57 2.72 -0.02 -1.26 -0.26 135.00 136.18 1gqh n PRO 107 Ca 0.15 -0.37 -0.42 0.00 -2.02 0.00 0.00 63.50 60.85 1gqh n PRO 107 Cb 0.37 -2.16 0.01 0.00 -0.02 0.00 0.00 33.50 31.70 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 -4.04 1.11 -1.87 -0.52 1.74 -1.25 -2.53 116.66 109.30 1gqh n ARG 108 Ca 0.06 0.40 -0.13 0.00 -0.77 0.00 0.00 57.85 57.41 1gqh n ARG 108 Cb 0.54 -1.88 -0.03 0.00 -1.02 0.00 0.00 32.46 30.07 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 0.71 -4.37 -4.38 0.55 3.02 0.19 -4.91 115.26 106.06 1gqh n ASN 109 Ca 0.10 0.14 -0.35 0.00 -0.03 0.00 0.00 54.58 54.44 1gqh n ASN 109 Cb 0.39 -3.33 -0.13 0.00 -0.61 0.00 0.00 39.78 36.10 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 -2.59 3.77 0.28 2.41 1.01 -1.05 -4.56 120.40 119.67 1gqh s VAL 110 Ca 0.00 -0.36 -0.29 0.00 0.00 0.00 0.00 61.98 61.32 1gqh s VAL 110 Cb 0.00 -2.72 -0.10 0.00 0.00 0.00 0.00 36.38 33.56 1gqh s VAL 110 CO 0.00 0.40 1.31 -0.89 0.00 0.00 0.00 175.10 175.93 1gqh s THR 111 N 1.36 2.87 0.17 3.92 2.01 -0.47 -4.55 115.64 120.95 1gqh s THR 111 Ca 0.04 0.81 -0.17 0.00 0.31 0.00 0.00 61.69 62.69 1gqh s THR 111 Cb -0.15 -3.52 0.03 0.00 0.01 0.00 0.00 72.50 68.88 1gqh s THR 111 CO 0.00 0.17 0.48 -1.38 -0.69 0.00 0.00 174.62 173.20 1gqh s HIS 112 N -0.67 -0.13 0.34 4.92 -3.43 -0.46 -1.53 115.29 114.34 1gqh s HIS 112 Ca 0.52 -0.20 -0.18 0.00 -0.80 0.00 0.00 55.06 54.40 1gqh s HIS 112 Cb -0.39 0.34 0.05 0.00 -1.43 0.00 0.00 32.58 31.15 1gqh s HIS 112 CO 0.47 -0.85 0.78 -0.08 -2.00 0.00 0.00 174.74 173.07 1gqh s THR 113 N -3.86 0.00 0.22 -5.38 -1.32 -1.07 -1.96 115.64 102.27 1gqh s THR 113 Ca 0.08 -0.98 -0.15 0.00 -1.21 0.00 0.00 61.69 59.43 1gqh s THR 113 Cb -0.00 -2.61 0.01 0.00 -1.51 0.00 0.00 72.50 68.39 1gqh s THR 113 CO -0.05 0.00 0.49 0.72 -2.21 0.00 0.00 174.62 173.56 1gqh s PHE 114 N -2.79 0.13 -0.17 9.09 -0.12 -1.26 -1.66 117.98 121.21 1gqh s PHE 114 Ca 0.14 -0.50 -0.09 0.00 -0.05 0.00 0.00 56.93 56.44 1gqh s PHE 114 Cb -0.05 0.28 0.06 0.00 -0.63 0.00 0.00 43.02 42.68 1gqh s PHE 114 CO 0.10 -0.95 0.41 -1.14 -0.05 0.00 0.00 175.22 173.59 1gqh s GLN 115 N -3.95 0.38 -0.03 1.99 0.74 -0.74 0.09 119.66 118.14 1gqh s GLN 115 Ca 0.15 0.81 -0.30 0.00 0.05 0.00 0.00 55.36 56.07 1gqh s GLN 115 Cb -0.01 0.00 -0.03 0.00 1.10 0.00 0.00 33.01 34.08 1gqh s GLN 115 CO 0.03 -0.17 1.02 0.42 -0.55 0.00 0.00 175.29 176.04 1gqh s ILE 116 N 1.51 4.75 -0.20 -2.34 -1.09 -1.26 -1.27 121.20 121.29 1gqh s ILE 116 Ca -0.09 1.99 -0.16 0.00 -2.23 0.00 0.00 60.65 60.16 1gqh s ILE 116 Cb -0.09 -4.27 -0.09 0.00 -1.58 0.00 0.00 42.46 36.43 1gqh s ILE 116 CO -0.13 0.10 -0.24 1.67 -1.23 0.00 0.00 174.94 175.11 1gqh n GLN 117 N 4.28 0.54 -3.52 2.79 7.27 -0.30 -1.38 117.38 127.07 1gqh n GLN 117 Ca 0.07 0.34 -0.29 0.00 0.07 0.00 0.00 57.00 57.19 1gqh n GLN 117 Cb 0.50 -1.54 -0.04 0.00 2.41 0.00 0.00 30.24 31.57 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 -6.45 6.44 0.46 1.69 1.01 -1.10 -4.34 116.67 114.37 1gqh s ASP 118 Ca -0.29 0.60 0.14 0.00 0.71 0.00 0.00 52.55 53.71 1gqh s ASP 118 Cb 0.07 -2.09 1.03 0.00 1.01 0.00 0.00 42.92 42.94 1gqh s ASP 118 CO 0.43 -0.10 2.03 -0.65 0.21 0.00 0.00 175.17 177.09 1gqh h PRO 119 N 2.03 0.06 -2.33 8.23 0.11 -1.89 -3.15 132.00 135.06 1gqh h PRO 119 Ca -0.47 -0.01 -0.65 0.00 0.11 0.00 0.00 66.00 64.98 1gqh h PRO 119 Cb 1.18 -0.01 -0.38 0.00 0.11 0.00 0.00 31.00 31.90 1gqh h PRO 119 CO 0.68 0.17 -0.22 -3.47 -0.21 0.00 0.00 178.00 174.95 1gqh n ASP 120 N -4.38 4.88 -4.81 -2.05 2.03 -1.26 -4.21 116.55 106.74 1gqh n ASP 120 Ca -0.02 -3.57 -0.37 0.00 0.52 0.00 0.00 54.79 51.35 1gqh n ASP 120 Cb 0.20 -0.77 -0.07 0.00 -0.72 0.00 0.00 41.12 39.76 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 -3.56 5.35 -0.08 5.18 2.01 -1.12 -2.86 115.64 120.57 1gqh s THR 121 Ca 0.42 0.41 0.00 0.00 0.31 0.00 0.00 61.69 62.84 1gqh s THR 121 Cb 0.19 -3.53 0.02 0.00 0.01 0.00 0.00 72.50 69.20 1gqh s THR 121 CO -0.06 0.53 -0.06 -0.70 -0.69 0.00 0.00 174.62 173.63 1gqh s GLU 122 N -0.47 1.20 -0.19 4.92 2.12 -0.18 -1.72 118.70 124.38 1gqh s GLU 122 Ca 0.16 -0.18 -0.04 0.00 0.36 0.00 0.00 54.97 55.26 1gqh s GLU 122 Cb -0.13 -1.22 -0.02 0.00 0.26 0.00 0.00 34.13 33.02 1gqh s GLU 122 CO 0.05 -0.15 -0.02 -1.64 -0.54 0.00 0.00 175.26 172.96 1gqh s MET 123 N 1.29 3.59 -0.27 4.30 -1.94 0.45 -0.83 119.30 125.90 1gqh s MET 123 Ca -0.04 -0.54 -0.14 0.00 -1.71 0.00 0.00 55.69 53.26 1gqh s MET 123 Cb -0.14 -3.02 -0.04 0.00 2.01 0.00 0.00 34.83 33.65 1gqh s MET 123 CO -0.03 0.05 0.34 0.99 -0.01 0.00 0.00 175.02 176.36 1gqh s THR 124 N 0.89 5.20 -0.16 2.05 2.01 0.14 -0.01 115.64 125.76 1gqh s THR 124 Ca 0.00 0.49 -0.06 0.00 0.31 0.00 0.00 61.69 62.43 1gqh s THR 124 Cb -0.14 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.66 1gqh s THR 124 CO 0.02 0.18 0.05 -0.83 -0.69 0.00 0.00 174.62 173.34 1gqh s GLY 125 N 1.64 1.89 -0.23 4.40 0.00 0.66 -1.06 107.32 114.63 1gqh s GLY 125 Ca 0.13 -0.75 -0.00 0.00 0.00 0.00 0.00 44.72 44.10 1gqh s GLY 125 CO 0.10 -0.08 -0.11 0.14 0.00 0.00 0.00 173.10 173.16 1gqh s VAL 126 N 0.10 2.58 -0.07 1.40 1.01 -0.78 -0.31 120.40 124.33 1gqh s VAL 126 Ca 0.04 -1.04 0.04 0.00 0.00 0.00 0.00 61.98 61.03 1gqh s VAL 126 Cb -0.12 -2.26 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 1gqh s VAL 126 CO 0.01 0.29 -0.19 -0.63 0.00 0.00 0.00 175.10 174.58 1gqh s ILE 127 N 1.30 2.64 -0.06 2.22 1.01 0.19 -1.41 121.20 127.09 1gqh s ILE 127 Ca 0.01 -0.86 0.02 0.00 0.00 0.00 0.00 60.65 59.82 1gqh s ILE 127 Cb -0.16 -2.02 0.01 0.00 0.01 0.00 0.00 42.46 40.31 1gqh s ILE 127 CO -0.07 0.57 -0.11 -0.69 0.00 0.00 0.00 174.94 174.64 1gqh s VAL 128 N -0.31 1.01 0.86 2.92 1.01 -0.80 -0.27 120.40 124.82 1gqh s VAL 128 Ca 0.02 -0.41 -0.14 0.00 0.00 0.00 0.00 61.98 61.46 1gqh s VAL 128 Cb -0.13 -0.94 0.20 0.00 0.00 0.00 0.00 36.38 35.51 1gqh s VAL 128 CO 0.02 0.33 1.18 -0.81 0.00 0.00 0.00 175.10 175.82 1gqh n PRO 129 N 3.85 -1.07 -1.61 2.72 -0.04 -1.26 -0.80 135.00 136.80 1gqh n PRO 129 Ca -0.23 -1.92 -0.30 0.00 -0.04 0.00 0.00 63.50 61.01 1gqh n PRO 129 Cb 0.52 -1.18 0.09 0.00 -0.04 0.00 0.00 33.50 32.89 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 -5.56 1.62 0.00 0.55 0.00 -0.53 -4.40 107.32 98.99 1gqh s GLY 130 Ca 0.67 -0.28 0.00 0.00 0.00 0.00 0.00 44.72 45.11 1gqh s GLY 130 CO 0.47 0.16 0.00 0.61 0.00 0.00 0.00 173.10 174.34 1gqh n GLY 131 N -2.27 2.59 0.40 0.20 0.00 -1.26 -4.72 105.19 100.13 1gqh n GLY 131 Ca 0.07 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.31 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 -1.95 -2.72 116.94 117.45 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 0.27 1.05 -2.23 0.00 0.00 178.31 177.40 1gqh h GLU 133 N 0.00 0.00 -0.89 1.11 9.09 -1.95 -1.98 114.58 119.96 1gqh h GLU 133 Ca 0.28 0.00 0.15 0.00 0.05 0.00 0.00 59.36 59.85 1gqh h GLU 133 Cb 1.19 0.00 -0.07 0.00 -1.65 0.00 0.00 28.75 28.22 1gqh h GLU 133 CO -0.00 0.00 0.58 -0.44 0.05 0.00 0.00 179.01 179.19 1gqh h ASP 134 N 0.00 0.62 -0.59 3.06 3.32 -1.92 0.38 116.42 121.29 1gqh h ASP 134 Ca 0.00 0.04 0.08 0.00 0.02 0.00 0.00 57.03 57.17 1gqh h ASP 134 Cb 0.55 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 39.96 1gqh h ASP 134 CO 0.00 0.30 0.26 0.25 -1.72 0.00 0.00 179.24 178.33 1gqh h LEU 135 N 0.65 0.32 -0.97 1.55 7.12 -1.64 0.13 115.31 122.47 1gqh h LEU 135 Ca 0.46 0.06 -0.09 0.00 0.13 0.00 0.00 57.88 58.43 1gqh h LEU 135 Cb 0.79 0.01 -0.01 0.00 -0.53 0.00 0.00 40.66 40.92 1gqh h LEU 135 CO -0.21 0.20 -0.23 -0.26 -0.13 0.00 0.00 178.44 177.81 1gqh h PHE 136 N 0.47 0.53 -0.29 1.25 0.04 -1.13 0.95 116.94 118.76 1gqh h PHE 136 Ca 0.29 -0.11 -0.01 0.00 2.80 0.00 0.00 57.97 60.94 1gqh h PHE 136 Cb 0.29 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 1gqh h PHE 136 CO -0.14 0.67 0.13 1.88 -0.60 0.00 0.00 178.31 180.26 1gqh h TYR 137 N 0.42 0.43 0.71 -0.55 0.05 -0.93 0.15 116.97 117.26 1gqh h TYR 137 Ca 0.06 -0.03 -0.03 0.00 0.05 0.00 0.00 58.73 58.78 1gqh h TYR 137 Cb 0.64 -0.13 0.01 0.00 1.01 0.00 0.00 36.73 38.26 1gqh h TYR 137 CO 0.02 0.41 -0.34 -0.92 -1.05 0.00 0.00 178.16 176.28 1gqh h TYR 138 N 0.33 -0.88 0.00 4.88 3.20 -0.41 -3.25 116.97 120.84 1gqh h TYR 138 Ca 0.10 -0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.93 1gqh h TYR 138 Cb 0.15 0.29 -0.00 0.00 1.54 0.00 0.00 36.73 38.71 1gqh h TYR 138 CO -0.01 -0.52 -0.08 -0.07 -1.64 0.00 0.00 178.16 175.84 1gqh h LEU 139 N -1.12 0.00-10.62 2.82 3.38 -0.90 -3.47 115.31 105.40 1gqh h LEU 139 Ca -0.10 0.00 -0.45 0.00 0.09 0.00 0.00 57.88 57.42 1gqh h LEU 139 Cb 0.76 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.59 1gqh h LEU 139 CO 0.16 0.08 0.19 -0.83 0.09 0.00 0.00 178.44 178.13 1gqh s GLY 140 N -4.24 1.73 -0.14 0.83 0.00 0.53 -4.94 107.32 101.09 1gqh s GLY 140 Ca 0.05 -1.18 -0.01 0.00 0.00 0.00 0.00 44.72 43.59 1gqh s GLY 140 CO 0.65 -0.71 -0.12 -1.59 0.00 0.00 0.00 173.10 171.33 1gqh s THR 141 N -3.24 3.13 0.37 0.90 2.01 0.64 -4.89 115.64 114.57 1gqh s THR 141 Ca 0.63 -0.63 -0.26 0.00 0.31 0.00 0.00 61.69 61.74 1gqh s THR 141 Cb -0.09 -2.33 -0.12 0.00 0.01 0.00 0.00 72.50 69.98 1gqh s THR 141 CO 0.45 0.51 1.03 -0.46 -0.69 0.00 0.00 174.62 175.46 1gqh n ASN 142 N 3.65 1.39 -3.95 3.53 0.23 -1.26 -0.59 115.26 118.26 1gqh n ASN 142 Ca -0.18 1.09 -0.29 0.00 -0.53 0.00 0.00 54.58 54.67 1gqh n ASN 142 Cb 0.52 -1.34 -0.16 0.00 -2.08 0.00 0.00 39.78 36.72 1gqh n ASN 142 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1gqh s ALA 143 N -1.20 1.73 0.10 -2.53 0.00 -0.84 -4.73 121.76 114.29 1gqh s ALA 143 Ca 0.61 -0.98 -0.17 0.00 0.00 0.00 0.00 51.96 51.42 1gqh s ALA 143 Cb -0.60 -1.17 -0.05 0.00 0.00 0.00 0.00 23.12 21.30 1gqh s ALA 143 CO 0.58 -0.74 1.56 1.15 0.00 0.00 0.00 175.76 178.31 1gqh h THR 144 N 6.34 1.25 -6.69 0.00 2.02 -1.94 -3.41 112.91 110.48 1gqh h THR 144 Ca -0.27 -0.89 -0.54 0.00 0.77 0.00 0.00 66.41 65.48 1gqh h THR 144 Cb 1.11 1.21 0.02 0.00 -1.74 0.00 0.00 68.15 68.75 1gqh h THR 144 CO 0.44 0.29 -0.99 -0.67 0.37 0.00 0.00 175.52 174.97 1gqh n ASP 145 N -4.58 -4.58 -0.24 4.18 -0.08 -1.26 -4.86 116.55 105.12 1gqh n ASP 145 Ca -0.02 -1.20 0.05 0.00 -1.51 0.00 0.00 54.79 52.11 1gqh n ASP 145 Cb 0.24 -2.25 0.17 0.00 2.34 0.00 0.00 41.12 41.63 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 -2.33 0.54 0.00 5.18 2.02 -1.99 -0.97 112.91 115.36 1gqh h THR 146 Ca -0.69 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 66.39 1gqh h THR 146 Cb 1.39 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1gqh h THR 146 CO 0.50 0.05 0.00 0.35 0.37 0.00 0.00 175.52 176.79 1gqh n THR 147 N -5.15 0.23 -2.15 3.16 -2.24 -1.26 -4.90 114.28 101.98 1gqh n THR 147 Ca 0.13 0.06 -0.15 0.00 -2.27 0.00 0.00 64.05 61.82 1gqh n THR 147 Cb 0.44 -0.64 -0.02 0.00 -2.10 0.00 0.00 70.33 68.01 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 -1.35 -0.61 -2.00 4.78 -0.00 -0.37 -4.97 115.22 110.70 1gqh n HIS 148 Ca 0.10 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.41 1gqh n HIS 148 Cb 0.23 -3.10 -0.01 0.00 -0.00 0.00 0.00 29.99 27.10 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 -2.73 2.49 0.24 1.59 -1.32 -1.26 -4.91 115.64 109.74 1gqh s THR 149 Ca 0.00 0.48 -0.08 0.00 -1.21 0.00 0.00 61.69 60.88 1gqh s THR 149 Cb 0.00 -3.31 0.27 0.00 -1.51 0.00 0.00 72.50 67.95 1gqh s THR 149 CO 0.00 0.11 1.63 -0.65 -2.21 0.00 0.00 174.62 173.50 1gqh h PRO 150 N 3.46 0.08 -3.53 7.08 0.11 -1.94 -3.44 132.00 133.82 1gqh h PRO 150 Ca -0.49 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 1gqh h PRO 150 Cb 1.23 -0.02 -0.11 0.00 0.11 0.00 0.00 31.00 32.21 1gqh h PRO 150 CO 0.67 0.05 -0.11 1.52 -0.21 0.00 0.00 178.00 179.92 1gqh s TYR 151 N -6.14 0.06 -0.01 0.65 -0.85 -1.26 -4.64 117.35 105.15 1gqh s TYR 151 Ca -0.14 -0.41 -0.30 0.00 -0.52 0.00 0.00 57.07 55.71 1gqh s TYR 151 Cb 0.22 0.21 -0.04 0.00 0.38 0.00 0.00 41.96 42.73 1gqh s TYR 151 CO 0.75 -0.81 1.15 0.42 -1.52 0.00 0.00 175.55 175.54 1gqh s ILE 152 N -3.90 4.32 -1.05 -3.49 -1.09 -1.26 -5.09 121.20 109.65 1gqh s ILE 152 Ca 0.11 1.65 -0.07 0.00 -2.23 0.00 0.00 60.65 60.11 1gqh s ILE 152 Cb 0.01 -4.06 -0.06 0.00 -1.58 0.00 0.00 42.46 36.77 1gqh s ILE 152 CO -0.03 0.06 2.25 -2.65 -1.23 0.00 0.00 174.94 173.34 1gqh n PRO 153 N 4.59 2.36 0.00 2.79 -0.02 -1.26 -5.01 135.00 138.46 1gqh n PRO 153 Ca 0.09 -1.63 0.00 0.00 -2.02 0.00 0.00 63.50 59.95 1gqh n PRO 153 Cb 0.47 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 1gqh n PRO 153 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1gqh n SER 170 N 4.28 0.00 -0.02 2.55 7.64 -1.26 -5.22 113.62 121.59 1gqh n SER 170 Ca 0.51 0.00 0.01 0.00 1.01 0.00 0.00 58.87 60.40 1gqh n SER 170 Cb 0.16 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.36 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 -0.64 0.00 -0.86 0.44 -1.04 -1.26 -4.72 114.28 106.21 1gqh n THR 171 Ca 0.00 -0.47 -0.17 0.00 -2.04 0.00 0.00 64.05 61.38 1gqh n THR 171 Cb 0.00 1.01 0.18 0.00 -1.82 0.00 0.00 70.33 69.70 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 -0.75 6.03 -0.15 -4.42 4.77 -1.26 -4.47 117.00 116.74 1gqh n LEU 172 Ca 0.01 -3.19 0.01 0.00 -0.03 0.00 0.00 56.01 52.81 1gqh n LEU 172 Cb 0.03 -0.77 0.29 0.00 -2.33 0.00 0.00 43.42 40.64 1gqh n LEU 172 CO 0.03 0.91 1.20 1.56 -1.33 0.00 0.00 177.39 179.76 1gqh h GLN 173 N 1.24 0.85 -0.77 3.23 4.20 -1.82 -0.27 115.11 121.76 1gqh h GLN 173 Ca 0.46 -0.06 0.17 0.00 0.06 0.00 0.00 58.65 59.28 1gqh h GLN 173 Cb 2.48 -0.19 -0.05 0.00 0.30 0.00 0.00 27.48 30.02 1gqh h GLN 173 CO 0.87 0.58 0.52 1.03 -0.67 0.00 0.00 178.83 181.16 1gqh h SER 174 N 0.87 0.33 -0.44 1.46 0.87 -1.87 0.28 113.55 115.06 1gqh h SER 174 Ca 0.23 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1gqh h SER 174 Cb -0.07 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 61.85 1gqh h SER 174 CO -0.05 0.16 0.00 0.49 -0.53 0.00 0.00 176.83 176.90 1gqh n PHE 175 N -4.46 1.23 -3.66 2.24 3.72 -0.21 -4.91 117.46 111.40 1gqh n PHE 175 Ca 0.15 -0.46 -0.25 0.00 -0.05 0.00 0.00 57.45 56.85 1gqh n PHE 175 Cb 0.60 -0.27 0.07 0.00 -0.94 0.00 0.00 39.48 38.93 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 0.61 -5.57 -4.07 4.37 2.03 0.09 -4.93 116.55 109.09 1gqh n ASP 176 Ca 0.19 -0.61 -0.32 0.00 0.52 0.00 0.00 54.79 54.57 1gqh n ASP 176 Cb 0.77 -4.76 -0.16 0.00 -0.72 0.00 0.00 41.12 36.25 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 -3.33 1.86 -0.19 5.18 1.01 -0.59 -4.37 120.40 119.97 1gqh s VAL 177 Ca 0.55 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.63 1gqh s VAL 177 Cb -0.25 -1.75 0.03 0.00 0.00 0.00 0.00 36.38 34.40 1gqh s VAL 177 CO 0.76 0.42 -0.18 -0.31 0.00 0.00 0.00 175.10 175.78 1gqh s TYR 178 N 1.35 2.80 0.63 5.22 1.51 -0.65 -3.09 117.35 125.11 1gqh s TYR 178 Ca 0.03 -1.71 -0.18 0.00 -1.01 0.00 0.00 57.07 54.20 1gqh s TYR 178 Cb -0.14 -1.90 -0.02 0.00 -0.11 0.00 0.00 41.96 39.79 1gqh s TYR 178 CO -0.11 -0.81 1.24 0.00 -1.11 0.00 0.00 175.55 174.76 1gqh s ALA 179 N 1.28 2.44 -0.44 3.71 0.00 -1.26 -0.77 121.76 126.72 1gqh s ALA 179 Ca 0.03 1.08 0.05 0.00 0.00 0.00 0.00 51.96 53.12 1gqh s ALA 179 Cb -0.14 -3.49 0.20 0.00 0.00 0.00 0.00 23.12 19.68 1gqh s ALA 179 CO -0.12 -1.40 0.43 0.39 0.00 0.00 0.00 175.76 175.06 1gqh n GLU 180 N -1.82 0.60 0.23 0.00 -0.58 -1.05 -4.81 120.64 113.22 1gqh n GLU 180 Ca 0.14 -3.38 0.14 0.00 -0.42 0.00 0.00 57.16 53.65 1gqh n GLU 180 Cb 0.49 -1.63 0.44 0.00 -0.57 0.00 0.00 31.44 30.17 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 5.07 0.00 -0.38 -4.62 3.38 -1.95 -3.04 115.31 113.78 1gqh h LEU 181 Ca 0.20 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.99 1gqh h LEU 181 Cb 0.87 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 1gqh h LEU 181 CO 0.45 0.00 -0.82 0.77 0.09 0.00 0.00 178.44 178.94 1gqh h SER 182 N 0.00 0.14 -2.15 -0.43 4.64 -1.97 -3.46 113.55 110.32 1gqh h SER 182 Ca 0.00 -0.11 -0.60 0.00 -0.47 0.00 0.00 61.79 60.61 1gqh h SER 182 Cb 0.72 -0.04 0.04 0.00 -0.31 0.00 0.00 62.40 62.81 1gqh h SER 182 CO 0.00 0.89 0.96 0.33 -0.87 0.00 0.00 176.83 178.14 1gqh n PHE 183 N -3.65 2.31 -3.97 4.77 7.35 -1.15 -4.99 117.46 118.13 1gqh n PHE 183 Ca -0.02 0.11 -0.34 0.00 -0.76 0.00 0.00 57.45 56.44 1gqh n PHE 183 Cb 0.77 -2.61 -0.15 0.00 0.35 0.00 0.00 39.48 37.84 1gqh n PHE 183 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 1gqh s THR 184 N 2.57 2.89 0.05 -2.13 2.01 -1.26 -4.92 115.64 114.85 1gqh s THR 184 Ca 0.86 -0.84 -0.30 0.00 0.31 0.00 0.00 61.69 61.72 1gqh s THR 184 Cb -0.68 -2.38 -0.09 0.00 0.01 0.00 0.00 72.50 69.37 1gqh s THR 184 CO 0.45 0.33 1.80 -2.84 -0.69 0.00 0.00 174.62 173.67 1gqh s PRO 185 N 1.37 4.16 0.72 4.92 0.02 -1.26 -4.94 135.00 139.99 1gqh s PRO 185 Ca 0.03 2.47 -0.16 0.00 0.02 0.00 0.00 61.00 63.36 1gqh s PRO 185 Cb -0.15 -3.85 0.03 0.00 0.02 0.00 0.00 34.50 30.55 1gqh s PRO 185 CO -0.06 -0.85 1.24 -0.98 -0.33 0.00 0.00 177.00 176.02 1gqh s ARG 186 N 3.52 2.17 -0.10 5.54 1.70 -1.26 -4.95 118.95 125.56 1gqh s ARG 186 Ca 0.80 1.88 0.13 0.00 -0.47 0.00 0.00 55.73 58.08 1gqh s ARG 186 Cb -0.41 -1.82 0.24 0.00 -0.57 0.00 0.00 34.95 32.39 1gqh s ARG 186 CO 0.36 -1.84 1.12 0.25 -1.08 0.00 0.00 175.30 174.11 1gqh n THR 187 N -2.55 1.31 -1.24 4.99 -2.24 -1.26 -4.71 114.28 108.58 1gqh n THR 187 Ca 0.14 -1.72 -0.08 0.00 -2.27 0.00 0.00 64.05 60.12 1gqh n THR 187 Cb 0.49 0.04 0.23 0.00 -2.10 0.00 0.00 70.33 68.99 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 -0.89 3.54 -4.72 3.42 5.75 -1.26 -5.01 116.55 117.38 1gqh n ASP 188 Ca 0.12 -3.51 -0.42 0.00 -0.01 0.00 0.00 54.79 50.96 1gqh n ASP 188 Cb 0.70 -0.70 -0.03 0.00 -1.03 0.00 0.00 41.12 40.05 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 -0.83 0.09 -3.91 2.12 -1.04 -1.26 -4.82 114.28 104.63 1gqh n THR 189 Ca 0.41 -0.02 -0.15 0.00 -2.04 0.00 0.00 64.05 62.24 1gqh n THR 189 Cb 1.27 -1.93 -0.15 0.00 -1.82 0.00 0.00 70.33 67.70 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 1.03 0.11 -1.51 12.58 1.01 -0.62 -4.83 120.40 128.17 1gqh s VAL 190 Ca 0.74 0.05 -0.05 0.00 0.00 0.00 0.00 61.98 62.72 1gqh s VAL 190 Cb -0.52 -0.17 0.02 0.00 0.00 0.00 0.00 36.38 35.70 1gqh s VAL 190 CO 0.34 0.09 0.57 0.59 0.00 0.00 0.00 175.10 176.70 1gqh n ASN 191 N 3.72 -5.65 -0.53 3.32 3.02 -1.26 -2.59 115.26 115.30 1gqh n ASN 191 Ca -0.22 -0.30 -0.07 0.00 -0.03 0.00 0.00 54.58 53.97 1gqh n ASN 191 Cb 0.54 -4.58 -0.03 0.00 -0.61 0.00 0.00 39.78 35.10 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 -1.44 0.80 3.49 7.41 0.00 -1.26 -4.97 105.19 109.21 1gqh n GLY 192 Ca -0.10 -0.74 -0.11 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.25 0.00 -0.21 2.61 -1.32 -1.07 -0.11 115.64 113.29 1gqh s THR 193 Ca 0.00 -0.19 -0.29 0.00 -1.21 0.00 0.00 61.69 60.00 1gqh s THR 193 Cb 0.00 -1.17 0.14 0.00 -1.51 0.00 0.00 72.50 69.96 1gqh s THR 193 CO 0.00 -0.01 1.09 0.00 -2.21 0.00 0.00 174.62 173.48 1gqh s ALA 194 N -3.78 -1.99 1.21 11.08 0.00 -0.89 -1.60 121.76 125.79 1gqh s ALA 194 Ca 0.03 1.70 -0.15 0.00 0.00 0.00 0.00 51.96 53.54 1gqh s ALA 194 Cb -0.02 -1.06 0.22 0.00 0.00 0.00 0.00 23.12 22.26 1gqh s ALA 194 CO -0.10 -0.27 0.70 -0.35 0.00 0.00 0.00 175.76 175.75 1gqh n PRO 195 N 1.08 -2.80 0.02 0.00 -0.04 -1.26 -1.64 135.00 130.36 1gqh n PRO 195 Ca -0.09 -1.14 -0.03 0.00 -0.04 0.00 0.00 63.50 62.20 1gqh n PRO 195 Cb 0.57 -1.14 0.20 0.00 -0.04 0.00 0.00 33.50 33.09 1gqh n PRO 195 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1gqh h ALA 196 N -2.64 1.11 -0.25 0.55 0.00 -1.92 -3.28 119.26 112.82 1gqh h ALA 196 Ca -0.27 -0.34 -0.59 0.00 0.00 0.00 0.00 54.91 53.70 1gqh h ALA 196 Cb 0.86 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.47 1gqh h ALA 196 CO 0.18 0.56 2.28 0.27 0.00 0.00 0.00 179.25 182.53 1gqh n ASN 197 N -4.12 7.67 -4.34 0.00 6.94 -1.26 -4.83 115.26 115.32 1gqh n ASN 197 Ca -0.00 -2.80 -0.18 0.00 -0.02 0.00 0.00 54.58 51.58 1gqh n ASN 197 Cb 0.41 -1.44 -0.10 0.00 -2.36 0.00 0.00 39.78 36.28 1gqh n ASN 197 CO 0.00 0.00 0.00 0.42 -1.03 0.00 0.00 177.26 176.65 1gqh s THR 198 N 0.47 0.93 -0.21 5.53 -4.23 -1.24 -5.14 115.64 111.75 1gqh s THR 198 Ca 0.64 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 59.13 1gqh s THR 198 Cb 0.23 -2.48 0.02 0.00 1.34 0.00 0.00 72.50 71.62 1gqh s THR 198 CO -0.08 -0.20 -0.13 -0.69 -0.54 0.00 0.00 174.62 172.97 1gqh s VAL 199 N -3.49 2.44 -0.29 2.29 1.01 -1.26 -5.06 120.40 116.04 1gqh s VAL 199 Ca 0.32 -0.99 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 1gqh s VAL 199 Cb 0.07 -2.14 0.10 0.00 0.00 0.00 0.00 36.38 34.40 1gqh s VAL 199 CO 0.11 0.37 0.13 0.86 0.00 0.00 0.00 175.10 176.56 1gqh s TRP 200 N 1.30 0.33 -0.75 5.22 -0.00 -1.26 -4.81 118.94 118.96 1gqh s TRP 200 Ca 0.02 -0.87 0.00 0.00 -0.00 0.00 0.00 56.10 55.25 1gqh s TRP 200 Cb -0.15 -0.90 0.00 0.00 -0.00 0.00 0.00 33.47 32.42 1gqh s TRP 200 CO -0.09 -0.82 0.00 0.72 -0.00 0.00 0.00 176.95 176.76 1gqh n HIS 201 N 5.25 0.00 -0.45 5.86 8.25 -1.26 -4.85 115.22 128.02 1gqh n HIS 201 Ca -0.06 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.40 1gqh n HIS 201 Cb 0.42 -1.62 0.00 0.00 1.12 0.00 0.00 29.99 29.91 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 -2.68 0.38 0.00 1.59 -2.24 -1.26 -5.10 114.28 104.98 1gqh n THR 202 Ca -0.07 -0.47 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 1gqh n THR 202 Cb 0.29 0.95 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 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 -0.19 -0.02 3.78 3.38 0.00 -1.26 -5.11 105.19 105.76 1gqh n GLY 203 Ca 0.00 -0.96 -0.34 0.00 0.00 0.00 0.00 46.02 44.71 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 2.66 0.05 4.61 0.00 -1.26 -4.76 121.76 121.05 1gqh s ALA 204 Ca 0.00 0.72 0.07 0.00 0.00 0.00 0.00 51.96 52.75 1gqh s ALA 204 Cb 0.00 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.75 1gqh s ALA 204 CO 0.00 -0.86 -0.17 -0.80 0.00 0.00 0.00 175.76 173.92 1gqh s ASN 205 N -2.04 3.85 0.19 0.00 0.02 -0.11 -4.93 114.94 111.92 1gqh s ASN 205 Ca 0.70 -0.43 0.08 0.00 -1.02 0.00 0.00 52.86 52.20 1gqh s ASN 205 Cb -0.22 -0.62 -0.04 0.00 0.02 0.00 0.00 41.25 40.38 1gqh s ASN 205 CO 0.30 0.25 -0.04 0.00 0.02 0.00 0.00 177.10 177.63 1gqh s ALA 206 N -0.96 3.08 0.26 0.60 0.00 -1.26 -4.13 121.76 119.34 1gqh s ALA 206 Ca 0.15 -1.46 -0.30 0.00 0.00 0.00 0.00 51.96 50.36 1gqh s ALA 206 Cb -0.11 -0.84 -0.09 0.00 0.00 0.00 0.00 23.12 22.08 1gqh s ALA 206 CO 0.06 0.44 1.19 -0.51 0.00 0.00 0.00 175.76 176.94 1gqh s LEU 207 N -3.01 4.48 0.24 0.00 1.02 -1.26 -4.79 118.68 115.37 1gqh s LEU 207 Ca 0.27 2.36 -0.30 0.00 0.02 0.00 0.00 54.13 56.47 1gqh s LEU 207 Cb -0.09 -3.62 -0.14 0.00 0.02 0.00 0.00 46.19 42.36 1gqh s LEU 207 CO 0.17 -0.32 1.19 0.00 0.02 0.00 0.00 176.35 177.41 1gqh n ALA 208 N 1.62 0.11 0.65 4.21 0.00 -1.26 -4.86 120.51 120.98 1gqh n ALA 208 Ca 0.01 0.42 0.12 0.00 0.00 0.00 0.00 53.44 53.99 1gqh n ALA 208 Cb 0.44 -2.11 0.15 0.00 0.00 0.00 0.00 19.45 17.93 1gqh n ALA 208 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1gqh n SER 209 N 1.67 0.64 -4.57 0.00 3.41 -1.26 -4.80 113.62 108.71 1gqh n SER 209 Ca 0.11 -0.03 -0.38 0.00 -0.26 0.00 0.00 58.87 58.31 1gqh n SER 209 Cb 0.30 0.33 -0.11 0.00 -0.26 0.00 0.00 64.21 64.47 1gqh n SER 209 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1gqh s THR 210 N -3.14 5.23 0.44 6.66 2.01 -1.26 -4.99 115.64 120.59 1gqh s THR 210 Ca 0.06 0.11 -0.24 0.00 0.31 0.00 0.00 61.69 61.93 1gqh s THR 210 Cb 0.14 -3.51 -0.08 0.00 0.01 0.00 0.00 72.50 69.07 1gqh s THR 210 CO 0.74 0.23 1.28 0.00 -0.69 0.00 0.00 174.62 176.19 1gqh s ALA 211 N 1.75 3.11 0.00 7.40 0.00 -1.26 -2.87 121.76 129.89 1gqh s ALA 211 Ca 0.07 1.19 0.00 0.00 0.00 0.00 0.00 51.96 53.22 1gqh s ALA 211 Cb -0.16 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.48 1gqh s ALA 211 CO 0.10 -0.89 0.00 0.41 0.00 0.00 0.00 175.76 175.38 1gqh n GLY 212 N 0.62 1.18 3.86 0.00 0.00 -1.26 -5.04 105.19 104.54 1gqh n GLY 212 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.82 6.61 0.66 1.61 1.11 -1.14 -4.78 116.67 117.92 1gqh s ASP 213 Ca 0.00 0.72 -0.13 0.00 0.18 0.00 0.00 52.55 53.32 1gqh s ASP 213 Cb 0.00 -2.16 -0.01 0.00 1.07 0.00 0.00 42.92 41.82 1gqh s ASP 213 CO 0.00 0.36 1.06 -2.16 1.18 0.00 0.00 175.17 175.61 1gqh s PRO 214 N -1.09 3.04 0.13 8.23 0.04 -1.26 -4.72 135.00 139.36 1gqh s PRO 214 Ca 0.20 1.09 -0.24 0.00 0.04 0.00 0.00 61.00 62.08 1gqh s PRO 214 Cb -0.14 -2.00 0.07 0.00 0.04 0.00 0.00 34.50 32.47 1gqh s PRO 214 CO 0.09 -1.03 0.61 1.52 0.04 0.00 0.00 177.00 178.24 1gqh s TYR 215 N -2.77 -0.55 0.01 0.56 1.13 -1.10 -4.91 117.35 109.72 1gqh s TYR 215 Ca 0.61 0.43 0.04 0.00 -1.41 0.00 0.00 57.07 56.74 1gqh s TYR 215 Cb -0.15 0.54 -0.01 0.00 -1.10 0.00 0.00 41.96 41.23 1gqh s TYR 215 CO 0.47 -0.82 -0.13 -0.06 -2.51 0.00 0.00 175.55 172.51 1gqh s PHE 216 N -3.41 1.16 -0.19 -3.49 0.40 -1.26 -0.42 117.98 110.77 1gqh s PHE 216 Ca -0.01 -0.28 0.00 0.00 -0.60 0.00 0.00 56.93 56.05 1gqh s PHE 216 Cb -0.01 -0.72 0.04 0.00 0.51 0.00 0.00 43.02 42.84 1gqh s PHE 216 CO -0.10 0.00 -0.09 0.42 0.70 0.00 0.00 175.22 176.16 1gqh s ILE 217 N -0.55 1.48 0.35 0.64 1.01 -0.12 -4.73 121.20 119.28 1gqh s ILE 217 Ca 0.03 -0.92 -0.26 0.00 0.00 0.00 0.00 60.65 59.50 1gqh s ILE 217 Cb -0.06 -1.60 -0.09 0.00 0.01 0.00 0.00 42.46 40.72 1gqh s ILE 217 CO 0.00 0.14 1.10 0.00 0.00 0.00 0.00 174.94 176.18 1gqh s ALA 218 N 1.46 3.23 -0.37 9.38 0.00 -1.26 -1.18 121.76 133.02 1gqh s ALA 218 Ca -0.01 0.85 -0.40 0.00 0.00 0.00 0.00 51.96 52.40 1gqh s ALA 218 Cb -0.16 -3.32 -0.15 0.00 0.00 0.00 0.00 23.12 19.48 1gqh s ALA 218 CO -0.08 -0.28 1.97 -1.71 0.00 0.00 0.00 175.76 175.65 1gqh n ASN 219 N 0.44 1.83 0.00 0.00 5.15 -1.24 -0.06 115.26 121.38 1gqh n ASN 219 Ca 0.02 0.78 0.00 0.00 -0.60 0.00 0.00 54.58 54.79 1gqh n ASN 219 Cb 0.47 -1.10 0.00 0.00 -0.53 0.00 0.00 39.78 38.62 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 5.70 1.81 0.48 8.20 0.00 -1.26 -4.90 105.19 115.21 1gqh n GLY 220 Ca 0.38 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.53 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 -2.00 0.00 -2.75 1.61 7.02 0.91 -4.87 117.44 117.36 1gqh n TRP 221 Ca 0.00 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.26 1gqh n TRP 221 Cb 0.00 -0.04 0.09 0.00 -2.42 0.00 0.00 31.31 28.94 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 -2.24 1.75 0.55 6.99 0.00 -1.25 -0.93 107.32 112.18 1gqh s GLY 222 Ca 0.29 -1.90 -0.22 0.00 0.00 0.00 0.00 44.72 42.89 1gqh s GLY 222 CO 0.43 -1.36 1.35 2.56 0.00 0.00 0.00 173.10 176.07 1gqh s PRO 223 N -4.98 3.14 0.03 2.90 0.04 -1.26 -4.93 135.00 129.94 1gqh s PRO 223 Ca 0.65 2.21 -0.00 0.00 0.04 0.00 0.00 61.00 63.89 1gqh s PRO 223 Cb -0.05 -2.24 -0.03 0.00 0.04 0.00 0.00 34.50 32.22 1gqh s PRO 223 CO 0.43 -1.18 -0.03 0.15 0.04 0.00 0.00 177.00 176.40 1gqh s LYS 224 N -2.92 0.41 -0.03 4.56 1.02 -1.26 -3.82 119.74 117.71 1gqh s LYS 224 Ca 0.72 -0.81 0.02 0.00 0.02 0.00 0.00 55.97 55.92 1gqh s LYS 224 Cb -0.40 0.13 0.01 0.00 -0.52 0.00 0.00 37.83 37.04 1gqh s LYS 224 CO 0.47 -0.07 -0.08 0.71 -0.92 0.00 0.00 175.35 175.46 1gqh s TYR 225 N -2.23 0.92 -0.16 3.18 1.51 -0.63 -1.04 117.35 118.90 1gqh s TYR 225 Ca -0.08 -0.24 -0.18 0.00 -1.01 0.00 0.00 57.07 55.56 1gqh s TYR 225 Cb -0.04 -0.68 -0.04 0.00 -0.11 0.00 0.00 41.96 41.09 1gqh s TYR 225 CO -0.04 -0.12 0.47 -1.17 -1.11 0.00 0.00 175.55 173.59 1gqh s LEU 226 N 0.31 4.21 -0.14 -1.29 2.96 0.55 -1.42 118.68 123.85 1gqh s LEU 226 Ca -0.05 0.70 -0.01 0.00 -0.22 0.00 0.00 54.13 54.56 1gqh s LEU 226 Cb -0.09 -2.66 -0.01 0.00 0.50 0.00 0.00 46.19 43.93 1gqh s LEU 226 CO 0.01 -0.07 -0.12 0.21 -1.32 0.00 0.00 176.35 175.05 1gqh s ASN 227 N 0.87 4.00 -0.16 3.68 3.84 0.18 -1.21 114.94 126.14 1gqh s ASN 227 Ca 0.24 -0.35 0.17 0.00 0.21 0.00 0.00 52.86 53.13 1gqh s ASN 227 Cb -0.15 -1.62 0.40 0.00 -0.55 0.00 0.00 41.25 39.33 1gqh s ASN 227 CO 0.09 0.14 1.28 -1.20 -2.79 0.00 0.00 177.10 174.62 1gqh n SER 228 N 3.72 2.93 0.08 -4.21 7.64 -1.26 -0.49 113.62 122.03 1gqh n SER 228 Ca -0.18 -3.13 -0.09 0.00 1.01 0.00 0.00 58.87 56.48 1gqh n SER 228 Cb 0.52 -0.49 -0.09 0.00 -1.01 0.00 0.00 64.21 63.14 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 0.80 0.08 -2.02 1.43 4.20 -1.94 -3.39 115.11 114.26 1gqh h GLN 229 Ca 0.01 -0.12 -0.55 0.00 0.06 0.00 0.00 58.65 58.04 1gqh h GLN 229 Cb 1.21 0.04 -0.40 0.00 0.30 0.00 0.00 27.48 28.64 1gqh h GLN 229 CO 0.11 1.02 -1.06 0.66 -0.67 0.00 0.00 178.83 178.88 1gqh n TYR 230 N -3.45 0.20 -4.17 2.96 4.01 -1.26 -5.03 117.16 110.42 1gqh n TYR 230 Ca -0.02 -3.67 0.00 0.00 -0.16 0.00 0.00 57.90 54.05 1gqh n TYR 230 Cb 0.92 -0.38 0.00 0.00 -0.31 0.00 0.00 39.34 39.57 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 1.15 -1.64 3.79 2.72 0.00 -1.26 -4.81 105.19 105.15 1gqh n GLY 231 Ca 0.23 -1.32 -0.36 0.00 0.00 0.00 0.00 46.02 44.57 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 3.48 -0.02 1.61 2.02 -1.26 -4.07 117.35 119.11 1gqh s TYR 232 Ca 0.00 0.41 0.01 0.00 -0.37 0.00 0.00 57.07 57.12 1gqh s TYR 232 Cb 0.00 -2.05 0.01 0.00 -0.40 0.00 0.00 41.96 39.52 1gqh s TYR 232 CO 0.00 0.49 -0.03 -0.65 -1.57 0.00 0.00 175.55 173.79 1gqh s GLN 233 N -0.30 0.40 -0.20 -0.62 -0.21 0.36 -1.00 119.66 118.09 1gqh s GLN 233 Ca 0.11 -0.07 -0.01 0.00 0.02 0.00 0.00 55.36 55.41 1gqh s GLN 233 Cb -0.12 -0.45 0.01 0.00 1.00 0.00 0.00 33.01 33.46 1gqh s GLN 233 CO 0.01 -0.00 -0.15 0.42 -2.12 0.00 0.00 175.29 173.45 1gqh s ILE 234 N 0.39 2.49 -0.22 1.08 1.01 0.50 0.49 121.20 126.94 1gqh s ILE 234 Ca -0.04 -0.81 -0.09 0.00 0.00 0.00 0.00 60.65 59.70 1gqh s ILE 234 Cb -0.07 -2.09 -0.05 0.00 0.01 0.00 0.00 42.46 40.26 1gqh s ILE 234 CO -0.01 0.49 0.12 -0.69 0.00 0.00 0.00 174.94 174.85 1gqh s VAL 235 N 1.35 5.13 -0.51 2.92 1.01 -0.50 0.20 120.40 129.99 1gqh s VAL 235 Ca 0.05 0.10 -0.05 0.00 0.00 0.00 0.00 61.98 62.08 1gqh s VAL 235 Cb -0.14 -3.37 0.13 0.00 0.00 0.00 0.00 36.38 33.01 1gqh s VAL 235 CO -0.10 0.38 0.34 0.00 0.00 0.00 0.00 175.10 175.72 1gqh s ALA 236 N 0.87 3.39 0.36 5.51 0.00 0.09 -1.61 121.76 130.38 1gqh s ALA 236 Ca 0.06 -2.83 -0.28 0.00 0.00 0.00 0.00 51.96 48.91 1gqh s ALA 236 Cb -0.13 -2.63 -0.11 0.00 0.00 0.00 0.00 23.12 20.25 1gqh s ALA 236 CO 0.03 -1.95 1.52 -2.14 0.00 0.00 0.00 175.76 173.21 1gqh s PRO 237 N 0.71 4.10 -0.05 0.00 0.02 -1.25 -2.18 135.00 136.35 1gqh s PRO 237 Ca 0.11 2.60 -0.00 0.00 0.02 0.00 0.00 61.00 63.72 1gqh s PRO 237 Cb -0.22 -2.97 -0.03 0.00 0.02 0.00 0.00 34.50 31.30 1gqh s PRO 237 CO -0.03 -0.57 -0.05 1.19 -0.33 0.00 0.00 177.00 177.21 1gqh n PHE 238 N 0.74 0.00 -3.97 6.54 3.72 0.52 -4.79 117.46 120.21 1gqh n PHE 238 Ca 0.02 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.21 1gqh n PHE 238 Cb 0.39 -0.18 -0.17 0.00 -0.94 0.00 0.00 39.48 38.57 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 -2.10 0.47 0.31 -4.37 1.01 -0.43 -4.95 120.40 110.35 1gqh s VAL 239 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1gqh s VAL 239 Cb 0.02 -0.56 0.00 0.00 0.00 0.00 0.00 36.38 35.84 1gqh s VAL 239 CO 0.11 0.24 0.00 0.35 0.00 0.00 0.00 175.10 175.80 1gqh n THR 240 N 4.57 0.00 -0.28 3.92 -2.24 -1.26 -2.02 114.28 116.97 1gqh n THR 240 Ca -0.17 -1.46 0.03 0.00 -2.27 0.00 0.00 64.05 60.19 1gqh n THR 240 Cb 0.50 0.29 0.17 0.00 -2.10 0.00 0.00 70.33 69.19 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 1.15 1.15 -0.76 6.98 0.00 -1.90 -0.35 119.26 125.53 1gqh h ALA 241 Ca -0.26 0.05 0.17 0.00 0.00 0.00 0.00 54.91 54.88 1gqh h ALA 241 Cb 0.78 -0.08 -0.12 0.00 0.00 0.00 0.00 17.79 18.36 1gqh h ALA 241 CO 0.43 0.02 0.09 1.15 0.00 0.00 0.00 179.25 180.93 1gqh h THR 242 N 0.70 0.40 0.17 0.00 2.02 -1.95 0.12 112.91 114.37 1gqh h THR 242 Ca 0.40 -0.06 -0.34 0.00 0.77 0.00 0.00 66.41 67.18 1gqh h THR 242 Cb 0.43 0.22 0.01 0.00 -1.74 0.00 0.00 68.15 67.07 1gqh h THR 242 CO -0.28 0.03 -1.71 1.56 0.37 0.00 0.00 175.52 175.49 1gqh h GLN 243 N 0.16 0.37 0.00 6.66 7.50 -1.56 -3.38 115.11 124.86 1gqh h GLN 243 Ca 0.43 -0.63 -0.11 0.00 0.50 0.00 0.00 58.65 58.83 1gqh h GLN 243 Cb 0.76 0.23 -0.02 0.00 0.05 0.00 0.00 27.48 28.51 1gqh h GLN 243 CO -0.61 1.27 -0.55 0.00 -1.50 0.00 0.00 178.83 177.45 1gqh h ALA 244 N 0.20 1.03 0.00 3.87 0.00 -0.72 -3.43 119.26 120.22 1gqh h ALA 244 Ca -0.32 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.09 1gqh h ALA 244 Cb 2.09 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.79 1gqh h ALA 244 CO 0.18 0.68 0.00 1.04 0.00 0.00 0.00 179.25 181.15 1gqh n GLN 245 N -3.79 0.00 0.12 0.00 6.02 0.39 -0.15 117.38 119.96 1gqh n GLN 245 Ca -0.01 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.09 1gqh n GLN 245 Cb 0.57 0.00 0.47 0.00 1.02 0.00 0.00 30.24 32.30 1gqh n GLN 245 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1gqh n ASP 246 N 1.42 0.54 0.28 1.08 5.75 -1.26 -1.27 116.55 123.09 1gqh n ASP 246 Ca 0.00 0.66 0.18 0.00 -0.01 0.00 0.00 54.79 55.62 1gqh n ASP 246 Cb 0.00 -0.76 0.72 0.00 -1.03 0.00 0.00 41.12 40.05 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 0.01 -5.54 2.12 1.35 -0.92 -3.47 112.91 106.45 1gqh h THR 247 Ca 0.00 -0.48 -0.13 0.00 -0.55 0.00 0.00 66.41 65.25 1gqh h THR 247 Cb 0.26 1.48 0.06 0.00 -1.73 0.00 0.00 68.15 68.22 1gqh h THR 247 CO 0.00 0.00 -0.37 -3.20 -0.25 0.00 0.00 175.52 171.70 1gqh n ASN 248 N -3.09 -7.13 -3.68 5.36 5.15 -0.39 -4.88 115.26 106.60 1gqh n ASN 248 Ca 0.00 -0.37 -0.08 0.00 -0.60 0.00 0.00 54.58 53.53 1gqh n ASN 248 Cb 0.29 -4.92 -0.02 0.00 -0.53 0.00 0.00 39.78 34.61 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 -3.14 -0.30 0.14 1.20 1.13 -1.18 -1.09 117.35 114.10 1gqh s TYR 249 Ca 0.16 -0.03 0.05 0.00 -1.41 0.00 0.00 57.07 55.84 1gqh s TYR 249 Cb -0.03 0.64 -0.04 0.00 -1.10 0.00 0.00 41.96 41.43 1gqh s TYR 249 CO 0.76 -1.00 -0.12 0.95 -2.51 0.00 0.00 175.55 173.63 1gqh s THR 250 N -3.71 1.28 -0.13 -3.49 -4.23 -0.35 -4.50 115.64 100.52 1gqh s THR 250 Ca 0.08 -1.92 -0.11 0.00 -1.18 0.00 0.00 61.69 58.56 1gqh s THR 250 Cb -0.03 -1.71 0.04 0.00 1.34 0.00 0.00 72.50 72.13 1gqh s THR 250 CO -0.01 -0.59 0.33 -0.22 -0.54 0.00 0.00 174.62 173.59 1gqh s LEU 251 N -2.86 0.62 0.19 4.79 2.96 -0.85 -1.55 118.68 121.97 1gqh s LEU 251 Ca 0.14 0.68 -0.22 0.00 -0.22 0.00 0.00 54.13 54.50 1gqh s LEU 251 Cb -0.01 1.12 0.08 0.00 0.50 0.00 0.00 46.19 47.88 1gqh s LEU 251 CO 0.02 -0.13 1.03 -0.94 -1.32 0.00 0.00 176.35 175.02 1gqh s SER 252 N 0.40 -0.01 0.06 3.68 1.04 -0.47 -0.36 113.70 118.05 1gqh s SER 252 Ca -0.02 -0.66 0.03 0.00 0.48 0.00 0.00 55.95 55.78 1gqh s SER 252 Cb -0.04 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 66.55 1gqh s SER 252 CO -0.02 -0.99 0.04 0.42 0.98 0.00 0.00 173.24 173.67 1gqh s THR 253 N -2.23 4.35 -0.16 2.02 -4.23 -0.93 0.44 115.64 114.90 1gqh s THR 253 Ca 0.21 -0.77 0.00 0.00 -1.18 0.00 0.00 61.69 59.95 1gqh s THR 253 Cb -0.03 -3.06 0.03 0.00 1.34 0.00 0.00 72.50 70.79 1gqh s THR 253 CO 0.05 0.18 -0.11 -0.63 -0.54 0.00 0.00 174.62 173.57 1gqh s ILE 254 N -1.30 1.48 -0.01 2.99 1.01 -0.32 -0.73 121.20 124.31 1gqh s ILE 254 Ca 0.26 -0.71 -0.10 0.00 0.00 0.00 0.00 60.65 60.10 1gqh s ILE 254 Cb -0.12 -1.48 -0.05 0.00 0.01 0.00 0.00 42.46 40.82 1gqh s ILE 254 CO 0.18 0.32 0.31 -0.44 0.00 0.00 0.00 174.94 175.32 1gqh s SER 255 N 1.50 6.61 -0.01 3.58 0.01 0.13 -1.37 113.70 124.15 1gqh s SER 255 Ca 0.03 0.72 0.02 0.00 1.31 0.00 0.00 55.95 58.03 1gqh s SER 255 Cb -0.14 -2.16 -0.00 0.00 0.21 0.00 0.00 66.02 63.93 1gqh s SER 255 CO -0.09 0.30 -0.08 -0.04 0.41 0.00 0.00 173.24 173.74 1gqh s MET 256 N -1.37 0.70 0.64 12.44 1.00 0.48 -0.37 119.30 132.82 1gqh s MET 256 Ca 0.24 -0.29 -0.05 0.00 0.00 0.00 0.00 55.69 55.60 1gqh s MET 256 Cb -0.14 -0.67 0.14 0.00 0.00 0.00 0.00 34.83 34.15 1gqh s MET 256 CO 0.13 0.16 0.87 -1.13 0.00 0.00 0.00 175.02 175.05 1gqh n SER 257 N 2.95 0.70 -4.84 3.03 3.41 -0.17 -1.74 113.62 116.96 1gqh n SER 257 Ca -0.14 -1.70 -0.29 0.00 -0.26 0.00 0.00 58.87 56.47 1gqh n SER 257 Cb 0.57 -0.61 0.10 0.00 -0.26 0.00 0.00 64.21 64.00 1gqh n SER 257 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1gqh s THR 258 N -2.69 2.45 -0.29 6.66 -4.23 -1.26 -4.28 115.64 112.01 1gqh s THR 258 Ca 0.54 0.15 -0.11 0.00 -1.18 0.00 0.00 61.69 61.09 1gqh s THR 258 Cb -0.02 -3.01 -0.05 0.00 1.34 0.00 0.00 72.50 70.75 1gqh s THR 258 CO 0.37 -0.19 0.19 -0.89 -0.54 0.00 0.00 174.62 173.56 1gqh s THR 259 N -3.36 5.30 0.66 3.99 2.01 -1.26 -4.50 115.64 118.48 1gqh s THR 259 Ca 0.62 0.14 -0.18 0.00 0.31 0.00 0.00 61.69 62.58 1gqh s THR 259 Cb -0.13 -3.54 -0.01 0.00 0.01 0.00 0.00 72.50 68.83 1gqh s THR 259 CO 0.52 0.23 1.28 -2.84 -0.69 0.00 0.00 174.62 173.11 1gqh s PRO 260 N 1.76 2.51 0.14 4.92 0.02 -1.26 -4.84 135.00 138.25 1gqh s PRO 260 Ca 0.07 2.01 0.14 0.00 0.02 0.00 0.00 61.00 63.24 1gqh s PRO 260 Cb -0.16 -1.85 0.65 0.00 0.02 0.00 0.00 34.50 33.16 1gqh s PRO 260 CO 0.11 -1.61 1.43 -1.13 -0.33 0.00 0.00 177.00 175.46 1gqh n SER 261 N -2.00 0.29 -1.13 2.53 3.41 -1.26 -1.60 113.62 113.86 1gqh n SER 261 Ca 0.15 0.61 0.12 0.00 -0.26 0.00 0.00 58.87 59.49 1gqh n SER 261 Cb 0.48 -0.65 0.19 0.00 -0.26 0.00 0.00 64.21 63.98 1gqh n SER 261 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1gqh n THR 262 N -1.86 0.41 -4.86 6.66 -2.24 -1.26 -4.87 114.28 106.26 1gqh n THR 262 Ca 0.01 -0.70 -0.33 0.00 -2.27 0.00 0.00 64.05 60.76 1gqh n THR 262 Cb 0.09 1.09 -0.14 0.00 -2.10 0.00 0.00 70.33 69.27 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 -1.59 2.97 0.10 2.28 1.01 -0.63 -5.10 120.40 119.44 1gqh s VAL 263 Ca 0.37 -0.72 -0.27 0.00 0.00 0.00 0.00 61.98 61.37 1gqh s VAL 263 Cb 0.22 -2.21 -0.06 0.00 0.00 0.00 0.00 36.38 34.33 1gqh s VAL 263 CO 0.32 0.55 0.83 -0.89 0.00 0.00 0.00 175.10 175.91 1gqh s THR 264 N -0.04 4.55 -0.03 3.92 2.01 -1.26 -4.78 115.64 120.02 1gqh s THR 264 Ca -0.03 1.80 -0.30 0.00 0.31 0.00 0.00 61.69 63.46 1gqh s THR 264 Cb -0.14 -4.19 -0.05 0.00 0.01 0.00 0.00 72.50 68.13 1gqh s THR 264 CO 0.04 0.39 1.37 -0.69 -0.69 0.00 0.00 174.62 175.05 1gqh s VAL 265 N -0.33 3.83 0.72 3.82 1.01 -1.26 -4.98 120.40 123.21 1gqh s VAL 265 Ca 0.40 1.18 -0.13 0.00 0.00 0.00 0.00 61.98 63.44 1gqh s VAL 265 Cb -0.22 -3.76 0.03 0.00 0.00 0.00 0.00 36.38 32.43 1gqh s VAL 265 CO 0.26 -0.02 1.10 -2.16 0.00 0.00 0.00 175.10 174.29 1gqh s PRO 266 N 2.56 2.50 -0.18 2.72 0.04 -1.26 -5.00 135.00 136.39 1gqh s PRO 266 Ca 0.62 1.29 -0.07 0.00 0.04 0.00 0.00 61.00 62.88 1gqh s PRO 266 Cb -0.30 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.28 1gqh s PRO 266 CO 0.25 -1.47 0.06 0.99 0.04 0.00 0.00 177.00 176.87 1gqh s THR 267 N -2.62 4.75 0.24 1.26 2.01 -1.26 -4.54 115.64 115.48 1gqh s THR 267 Ca 0.64 -0.05 0.09 0.00 0.31 0.00 0.00 61.69 62.68 1gqh s THR 267 Cb -0.19 -3.13 -0.04 0.00 0.01 0.00 0.00 72.50 69.15 1gqh s THR 267 CO 0.49 0.47 -0.00 0.26 -0.69 0.00 0.00 174.62 175.15 1gqh s TRP 268 N 0.32 2.74 -0.24 4.92 0.52 0.80 -4.91 118.94 123.09 1gqh s TRP 268 Ca 0.03 -0.20 -0.17 0.00 0.02 0.00 0.00 56.10 55.78 1gqh s TRP 268 Cb -0.12 -1.24 0.07 0.00 -1.15 0.00 0.00 33.47 31.02 1gqh s TRP 268 CO 0.00 0.59 0.60 0.45 0.02 0.00 0.00 176.95 178.61 1gqh s SER 269 N -3.49 -0.73 0.02 2.95 0.15 -1.26 -1.10 113.70 110.23 1gqh s SER 269 Ca 0.30 1.27 -0.01 0.00 0.70 0.00 0.00 55.95 58.20 1gqh s SER 269 Cb -0.07 1.20 -0.02 0.00 -1.71 0.00 0.00 66.02 65.42 1gqh s SER 269 CO 0.20 -0.22 -0.00 -0.36 1.20 0.00 0.00 173.24 174.06 1gqh s PHE 270 N 1.05 0.25 0.20 3.44 0.08 -1.26 -4.96 117.98 116.78 1gqh s PHE 270 Ca -0.06 -0.53 -0.09 0.00 0.12 0.00 0.00 56.93 56.37 1gqh s PHE 270 Cb -0.05 -0.19 0.12 0.00 -0.57 0.00 0.00 43.02 42.33 1gqh s PHE 270 CO -0.10 -0.23 1.74 -1.35 -0.10 0.00 0.00 175.22 175.18 1gqh h PRO 271 N 4.41 1.09 -6.38 0.24 0.11 -1.92 1.10 132.00 130.65 1gqh h PRO 271 Ca -0.32 -0.22 -0.55 0.00 0.11 0.00 0.00 66.00 65.02 1gqh h PRO 271 Cb 1.20 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 1gqh h PRO 271 CO 0.44 0.92 -0.10 0.20 -0.21 0.00 0.00 178.00 179.25 1gqh s GLY 272 N -3.33 2.38 0.73 -0.55 0.00 -1.24 -3.92 107.32 101.38 1gqh s GLY 272 Ca -0.12 -0.19 -0.16 0.00 0.00 0.00 0.00 44.72 44.25 1gqh s GLY 272 CO 0.83 0.02 1.03 0.00 0.00 0.00 0.00 173.10 174.98 1gqh n ALA 273 N 0.36 -0.10 -2.74 3.20 0.00 -1.26 -4.12 120.51 115.86 1gqh n ALA 273 Ca -0.03 -0.20 -0.09 0.00 0.00 0.00 0.00 53.44 53.12 1gqh n ALA 273 Cb 0.52 -2.15 -0.07 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 -3.95 -0.91 -0.05 0.00 0.00 0.24 -0.81 121.76 116.28 1gqh s ALA 275 Ca 0.15 -0.20 -0.17 0.00 0.00 0.00 0.00 51.96 51.74 1gqh s ALA 275 Cb 0.03 0.83 0.03 0.00 0.00 0.00 0.00 23.12 24.02 1gqh s ALA 275 CO -0.02 -0.77 0.38 -0.59 0.00 0.00 0.00 175.76 174.76 1gqh s PHE 276 N -3.86 -0.31 -0.17 0.00 -0.12 -0.64 -1.03 117.98 111.85 1gqh s PHE 276 Ca 0.08 0.57 -0.02 0.00 -0.05 0.00 0.00 56.93 57.52 1gqh s PHE 276 Cb -0.00 0.15 -0.01 0.00 -0.63 0.00 0.00 43.02 42.53 1gqh s PHE 276 CO -0.04 -0.38 -0.10 -1.14 -0.05 0.00 0.00 175.22 173.51 1gqh s GLN 277 N -0.93 3.38 0.14 1.99 0.74 -0.28 -0.98 119.66 123.71 1gqh s GLN 277 Ca -0.10 -0.66 -0.31 0.00 0.05 0.00 0.00 55.36 54.34 1gqh s GLN 277 Cb -0.04 -2.78 -0.08 0.00 1.10 0.00 0.00 33.01 31.21 1gqh s GLN 277 CO 0.04 0.04 1.32 0.08 -0.55 0.00 0.00 175.29 176.22 1gqh s VAL 278 N 0.82 3.38 -0.25 1.34 1.01 -0.28 -0.52 120.40 125.91 1gqh s VAL 278 Ca -0.03 1.05 0.02 0.00 0.00 0.00 0.00 61.98 63.02 1gqh s VAL 278 Cb -0.15 -3.67 -0.16 0.00 0.00 0.00 0.00 36.38 32.39 1gqh s VAL 278 CO 0.01 0.11 -0.21 0.00 0.00 0.00 0.00 175.10 175.01 1gqh n GLN 279 N 3.38 0.63 -3.77 2.72 1.13 0.28 0.47 117.38 122.21 1gqh n GLN 279 Ca 0.09 0.14 -0.13 0.00 -1.94 0.00 0.00 57.00 55.16 1gqh n GLN 279 Cb 0.43 -1.50 -0.10 0.00 0.11 0.00 0.00 30.24 29.18 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 -2.50 0.43 0.00 -1.09 2.12 -0.89 -4.67 118.70 112.10 1gqh s GLU 280 Ca -0.33 0.30 0.00 0.00 0.36 0.00 0.00 54.97 55.30 1gqh s GLU 280 Cb 0.09 0.20 0.00 0.00 0.26 0.00 0.00 34.13 34.68 1gqh s GLU 280 CO 0.58 -0.07 0.00 0.41 -0.54 0.00 0.00 175.26 175.64 1gqh n GLY 281 N 2.57 -1.71 2.74 -1.50 0.00 -1.26 -0.53 105.19 105.49 1gqh n GLY 281 Ca -0.15 -2.05 -0.27 0.00 0.00 0.00 0.00 46.02 43.55 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 0.66 -0.10 1.61 0.52 -1.26 -4.26 118.95 116.12 1gqh s ARG 282 Ca 0.00 -0.39 0.01 0.00 -0.52 0.00 0.00 55.73 54.84 1gqh s ARG 282 Cb 0.00 -2.03 -0.02 0.00 0.52 0.00 0.00 34.95 33.42 1gqh s ARG 282 CO 0.00 -0.62 -0.14 0.08 0.02 0.00 0.00 175.30 174.64 1gqh s VAL 283 N 1.86 3.00 -0.20 3.52 1.01 -0.62 -1.22 120.40 127.76 1gqh s VAL 283 Ca -0.01 -0.70 -0.10 0.00 0.00 0.00 0.00 61.98 61.17 1gqh s VAL 283 Cb -0.17 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 33.93 1gqh s VAL 283 CO -0.08 0.55 0.14 -0.69 0.00 0.00 0.00 175.10 175.02 1gqh s VAL 284 N 0.02 5.40 0.02 2.92 1.01 0.06 0.53 120.40 130.36 1gqh s VAL 284 Ca -0.05 0.22 0.06 0.00 0.00 0.00 0.00 61.98 62.22 1gqh s VAL 284 Cb -0.14 -3.48 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 1gqh s VAL 284 CO 0.04 0.44 -0.20 0.54 0.00 0.00 0.00 175.10 175.93 1gqh s VAL 285 N 0.34 1.56 -0.13 2.92 0.11 -0.41 -1.61 120.40 123.18 1gqh s VAL 285 Ca 0.09 -1.01 -0.01 0.00 -2.93 0.00 0.00 61.98 58.11 1gqh s VAL 285 Cb -0.11 -1.33 0.04 0.00 -1.53 0.00 0.00 36.38 33.45 1gqh s VAL 285 CO -0.01 0.29 -0.01 -1.58 -3.33 0.00 0.00 175.10 170.45 1gqh s GLN 286 N -0.84 0.95 -0.13 1.54 0.74 -0.13 -0.94 119.66 120.84 1gqh s GLN 286 Ca 0.07 -0.21 0.02 0.00 0.05 0.00 0.00 55.36 55.29 1gqh s GLN 286 Cb -0.08 -1.57 0.01 0.00 1.10 0.00 0.00 33.01 32.47 1gqh s GLN 286 CO 0.01 -0.41 -0.18 0.42 -0.55 0.00 0.00 175.29 174.58 1gqh s ILE 287 N 1.83 1.79 0.00 -2.34 1.01 -1.26 -0.89 121.20 121.34 1gqh s ILE 287 Ca 0.03 -0.81 0.00 0.00 0.00 0.00 0.00 60.65 59.87 1gqh s ILE 287 Cb -0.14 -1.61 0.00 0.00 0.01 0.00 0.00 42.46 40.72 1gqh s ILE 287 CO -0.07 0.50 0.00 0.61 0.00 0.00 0.00 174.94 175.98 1gqh n GLY 288 N 4.22 3.43 1.66 6.18 0.00 0.19 -2.00 105.19 118.87 1gqh n GLY 288 Ca -0.19 -0.15 0.08 0.00 0.00 0.00 0.00 46.02 45.75 1gqh n GLY 288 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1gqh n ASP 289 N 3.92 5.28 -4.88 1.61 8.00 -1.26 -4.96 116.55 124.26 1gqh n ASP 289 Ca 0.00 -2.88 -0.30 0.00 0.71 0.00 0.00 54.79 52.32 1gqh n ASP 289 Cb 0.00 -0.64 -0.02 0.00 -0.02 0.00 0.00 41.12 40.43 1gqh n ASP 289 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1gqh s TYR 290 N -2.66 3.50 0.52 1.24 1.51 -0.85 -5.05 117.35 115.57 1gqh s TYR 290 Ca 0.52 0.99 -0.22 0.00 -1.01 0.00 0.00 57.07 57.36 1gqh s TYR 290 Cb 0.39 -2.42 -0.06 0.00 -0.11 0.00 0.00 41.96 39.77 1gqh s TYR 290 CO 0.16 -0.16 1.25 0.00 -1.11 0.00 0.00 175.55 175.68 1gqh s ALA 291 N -2.48 2.82 0.41 3.71 0.00 -1.26 -4.41 121.76 120.55 1gqh s ALA 291 Ca 0.50 1.11 -0.26 0.00 0.00 0.00 0.00 51.96 53.31 1gqh s ALA 291 Cb -0.10 -3.47 -0.09 0.00 0.00 0.00 0.00 23.12 19.46 1gqh s ALA 291 CO 0.35 -1.05 1.34 0.00 0.00 0.00 0.00 175.76 176.41 1gqh s ALA 292 N -1.46 3.30 -0.01 0.00 0.00 -1.26 -4.72 121.76 117.60 1gqh s ALA 292 Ca 0.70 1.31 -0.00 0.00 0.00 0.00 0.00 51.96 53.97 1gqh s ALA 292 Cb -0.34 -3.52 0.01 0.00 0.00 0.00 0.00 23.12 19.28 1gqh s ALA 292 CO 0.39 -0.91 0.03 0.99 0.00 0.00 0.00 175.76 176.26 1gqh s THR 293 N -1.23 -0.02 -0.15 0.00 2.01 -0.12 -4.97 115.64 111.16 1gqh s THR 293 Ca 0.57 0.07 -0.16 0.00 0.31 0.00 0.00 61.69 62.48 1gqh s THR 293 Cb -0.40 -0.06 -0.04 0.00 0.01 0.00 0.00 72.50 72.01 1gqh s THR 293 CO 0.52 0.03 0.39 -0.70 -0.69 0.00 0.00 174.62 174.17 1gqh s GLU 294 N 0.38 4.28 -0.01 4.92 2.12 -1.26 -1.29 118.70 127.83 1gqh s GLU 294 Ca -0.03 0.27 -0.00 0.00 0.36 0.00 0.00 54.97 55.57 1gqh s GLU 294 Cb -0.04 -3.45 -0.04 0.00 0.26 0.00 0.00 34.13 30.85 1gqh s GLU 294 CO -0.01 0.14 0.06 -0.51 -0.54 0.00 0.00 175.26 174.40 1gqh s LEU 295 N 0.72 3.82 0.00 2.70 1.02 0.19 -4.94 118.68 122.18 1gqh s LEU 295 Ca 0.21 0.12 0.00 0.00 0.02 0.00 0.00 54.13 54.48 1gqh s LEU 295 Cb -0.14 -2.20 0.00 0.00 0.02 0.00 0.00 46.19 43.87 1gqh s LEU 295 CO 0.07 0.28 0.00 0.61 0.02 0.00 0.00 176.35 177.33 1gqh n GLY 296 N 1.27 6.86 3.67 -3.19 0.00 -1.26 -1.58 105.19 110.95 1gqh n GLY 296 Ca -0.14 -2.08 -0.47 0.00 0.00 0.00 0.00 46.02 43.34 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 -0.28 3.13 0.00 1.61 3.41 -1.26 -1.38 113.62 118.85 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 -1.41 0.00 0.00 -0.26 0.00 0.00 64.21 62.54 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 3.59 2.48 3.76 5.00 0.00 0.18 -4.58 105.19 115.62 1gqh n GLY 298 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 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 -3.69 6.01 0.01 1.61 1.01 -0.48 -3.89 116.67 117.25 1gqh s ASP 299 Ca 0.00 2.51 0.07 0.00 0.71 0.00 0.00 52.55 55.84 1gqh s ASP 299 Cb 0.00 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.29 1gqh s ASP 299 CO 0.00 -1.04 -0.21 -0.69 0.21 0.00 0.00 175.17 173.44 1gqh s VAL 300 N -1.41 1.67 -0.06 -1.27 1.01 -0.72 -1.12 120.40 118.51 1gqh s VAL 300 Ca 0.63 -1.03 0.05 0.00 0.00 0.00 0.00 61.98 61.64 1gqh s VAL 300 Cb -0.34 -1.42 -0.01 0.00 0.00 0.00 0.00 36.38 34.62 1gqh s VAL 300 CO 0.42 0.36 -0.22 0.00 0.00 0.00 0.00 175.10 175.66 1gqh s ALA 301 N -0.62 1.93 -0.09 5.51 0.00 -0.15 -1.12 121.76 127.22 1gqh s ALA 301 Ca 0.08 -0.91 0.03 0.00 0.00 0.00 0.00 51.96 51.17 1gqh s ALA 301 Cb -0.08 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.41 1gqh s ALA 301 CO 0.00 0.35 -0.20 0.12 0.00 0.00 0.00 175.76 176.03 1gqh s PHE 302 N -0.03 2.24 -0.21 0.00 5.36 0.19 -1.63 117.98 123.90 1gqh s PHE 302 Ca -0.05 -0.91 0.01 0.00 -0.96 0.00 0.00 56.93 55.02 1gqh s PHE 302 Cb -0.13 -1.52 0.04 0.00 -0.34 0.00 0.00 43.02 41.07 1gqh s PHE 302 CO 0.04 -0.38 -0.11 0.42 -1.46 0.00 0.00 175.22 173.72 1gqh s ILE 303 N 0.45 1.80 0.78 3.12 1.09 0.01 -2.40 121.20 126.04 1gqh s ILE 303 Ca -0.17 -1.15 -0.14 0.00 -1.10 0.00 0.00 60.65 58.09 1gqh s ILE 303 Cb -0.17 -1.86 0.07 0.00 -1.06 0.00 0.00 42.46 39.44 1gqh s ILE 303 CO 0.07 0.15 1.21 -2.84 -0.10 0.00 0.00 174.94 173.44 1gqh s PRO 304 N 1.32 1.79 0.39 2.79 0.02 -1.26 -1.15 135.00 138.90 1gqh s PRO 304 Ca -0.02 1.78 -0.27 0.00 0.02 0.00 0.00 61.00 62.51 1gqh s PRO 304 Cb -0.17 -1.79 -0.09 0.00 0.02 0.00 0.00 34.50 32.47 1gqh s PRO 304 CO -0.08 -2.11 1.36 0.20 -0.33 0.00 0.00 177.00 176.04 1gqh s GLY 305 N -2.08 2.95 0.00 0.52 0.00 -1.26 -2.68 107.32 104.77 1gqh s GLY 305 Ca 0.74 1.34 0.00 0.00 0.00 0.00 0.00 44.72 46.80 1gqh s GLY 305 CO 0.49 1.97 0.00 0.61 0.00 0.00 0.00 173.10 176.17 1gqh n GLY 306 N 0.64 0.81 3.70 0.20 0.00 0.38 -4.88 105.19 106.04 1gqh n GLY 306 Ca 0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.21 5.22 0.24 1.61 1.01 -1.09 -4.89 120.40 119.28 1gqh s VAL 307 Ca 0.00 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.80 1gqh s VAL 307 Cb 0.00 -3.37 -0.09 0.00 0.00 0.00 0.00 36.38 32.91 1gqh s VAL 307 CO 0.00 0.45 1.34 -1.61 0.00 0.00 0.00 175.10 175.28 1gqh s GLU 308 N 0.35 4.35 0.02 2.72 2.02 -1.26 -4.60 118.70 122.30 1gqh s GLU 308 Ca 0.07 2.15 -0.09 0.00 0.02 0.00 0.00 54.97 57.12 1gqh s GLU 308 Cb -0.11 -3.15 0.00 0.00 0.10 0.00 0.00 34.13 30.97 1gqh s GLU 308 CO -0.01 -0.28 0.18 -0.59 0.02 0.00 0.00 175.26 174.58 1gqh s PHE 309 N -0.19 0.03 0.08 1.61 -0.71 -0.26 -0.64 117.98 117.89 1gqh s PHE 309 Ca 0.56 -0.16 0.07 0.00 -1.04 0.00 0.00 56.93 56.36 1gqh s PHE 309 Cb -0.39 -0.03 -0.03 0.00 -1.21 0.00 0.00 43.02 41.37 1gqh s PHE 309 CO 0.42 -0.36 -0.19 0.15 -1.34 0.00 0.00 175.22 173.90 1gqh s LYS 310 N -1.92 1.11 -0.03 1.99 1.02 -0.07 -0.14 119.74 121.69 1gqh s LYS 310 Ca -0.10 -1.04 -0.16 0.00 0.02 0.00 0.00 55.97 54.69 1gqh s LYS 310 Cb -0.04 -1.27 0.03 0.00 -0.52 0.00 0.00 37.83 36.02 1gqh s LYS 310 CO -0.01 0.30 0.36 1.52 -0.92 0.00 0.00 175.35 176.61 1gqh s TYR 311 N -1.07 -0.26 0.11 3.18 -0.85 -1.26 -0.95 117.35 116.24 1gqh s TYR 311 Ca 0.05 0.45 -0.21 0.00 -0.52 0.00 0.00 57.07 56.84 1gqh s TYR 311 Cb -0.10 0.14 0.05 0.00 0.38 0.00 0.00 41.96 42.44 1gqh s TYR 311 CO 0.03 -0.39 0.52 1.52 -1.52 0.00 0.00 175.55 175.70 1gqh s TYR 312 N -1.13 -0.40 -0.20 -3.49 1.13 -0.63 -4.87 117.35 107.75 1gqh s TYR 312 Ca -0.12 0.27 -0.13 0.00 -1.41 0.00 0.00 57.07 55.68 1gqh s TYR 312 Cb -0.04 0.39 -0.04 0.00 -1.10 0.00 0.00 41.96 41.16 1gqh s TYR 312 CO 0.04 -0.73 0.28 0.45 -2.51 0.00 0.00 175.55 173.09 1gqh s SER 313 N -2.46 6.33 0.06 -0.18 0.15 -1.26 -0.76 113.70 115.58 1gqh s SER 313 Ca -0.01 0.38 0.10 0.00 0.70 0.00 0.00 55.95 57.12 1gqh s SER 313 Cb 0.00 -2.17 -0.20 0.00 -1.71 0.00 0.00 66.02 61.94 1gqh s SER 313 CO -0.08 0.03 1.03 -0.08 1.20 0.00 0.00 173.24 175.34 1gqh h GLU 314 N 7.16 0.00 -7.13 5.44 4.57 -1.52 -3.40 114.58 119.70 1gqh h GLU 314 Ca -0.38 0.00 -0.47 0.00 -1.18 0.00 0.00 59.36 57.33 1gqh h GLU 314 Cb 1.16 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.78 1gqh h GLU 314 CO 0.72 0.75 0.37 0.00 -1.18 0.00 0.00 179.01 179.67 1gqh s ALA 315 N -2.69 2.92 0.05 2.92 0.00 -1.12 -4.91 121.76 118.94 1gqh s ALA 315 Ca -0.01 0.40 0.31 0.00 0.00 0.00 0.00 51.96 52.66 1gqh s ALA 315 Cb 0.09 -3.19 1.53 0.00 0.00 0.00 0.00 23.12 21.55 1gqh s ALA 315 CO 0.82 -0.33 1.95 1.88 0.00 0.00 0.00 175.76 180.07 1gqh h TYR 316 N 1.17 0.00 -2.15 0.00 0.05 -1.90 -3.39 116.97 110.75 1gqh h TYR 316 Ca -0.48 0.00 0.01 0.00 0.05 0.00 0.00 58.73 58.31 1gqh h TYR 316 Cb 1.20 0.00 -0.22 0.00 1.01 0.00 0.00 36.73 38.72 1gqh h TYR 316 CO 0.60 0.00 -0.12 0.12 -1.05 0.00 0.00 178.16 177.71 1gqh s PHE 317 N -3.69 -1.06 0.18 4.88 2.19 -1.26 -4.09 117.98 115.13 1gqh s PHE 317 Ca -0.01 2.01 0.06 0.00 0.33 0.00 0.00 56.93 59.32 1gqh s PHE 317 Cb 0.09 0.60 -0.05 0.00 -1.31 0.00 0.00 43.02 42.36 1gqh s PHE 317 CO 0.38 -0.54 -0.12 -1.12 1.83 0.00 0.00 175.22 175.65 1gqh s SER 318 N 2.12 2.22 -0.07 6.13 0.01 -0.71 -4.36 113.70 119.04 1gqh s SER 318 Ca -0.08 -1.02 -0.03 0.00 1.31 0.00 0.00 55.95 56.13 1gqh s SER 318 Cb -0.08 -0.08 0.04 0.00 0.21 0.00 0.00 66.02 66.11 1gqh s SER 318 CO -0.18 -0.25 0.14 -0.75 0.41 0.00 0.00 173.24 172.62 1gqh s LYS 319 N -3.69 0.06 0.20 12.44 2.20 0.31 -0.39 119.74 130.86 1gqh s LYS 319 Ca 0.20 0.42 0.11 0.00 -0.36 0.00 0.00 55.97 56.34 1gqh s LYS 319 Cb 0.01 -0.22 -0.04 0.00 -1.51 0.00 0.00 37.83 36.07 1gqh s LYS 319 CO 0.04 -0.21 -0.22 0.14 -0.36 0.00 0.00 175.35 174.74 1gqh s VAL 320 N 1.54 2.22 -0.22 4.02 -7.23 -0.47 -0.56 120.40 119.69 1gqh s VAL 320 Ca -0.05 -2.05 -0.16 0.00 -1.81 0.00 0.00 61.98 57.92 1gqh s VAL 320 Cb -0.12 -2.07 -0.04 0.00 0.56 0.00 0.00 36.38 34.72 1gqh s VAL 320 CO -0.06 -0.21 0.40 -0.22 -0.31 0.00 0.00 175.10 174.70 1gqh s LEU 321 N -2.77 4.12 -0.09 1.32 2.96 0.33 -1.17 118.68 123.37 1gqh s LEU 321 Ca 0.20 0.45 0.04 0.00 -0.22 0.00 0.00 54.13 54.61 1gqh s LEU 321 Cb -0.07 -2.50 -0.00 0.00 0.50 0.00 0.00 46.19 44.12 1gqh s LEU 321 CO 0.10 -0.12 -0.23 0.12 -1.32 0.00 0.00 176.35 174.90 1gqh s PHE 322 N 1.56 2.38 -0.02 5.38 5.36 0.17 -1.13 117.98 131.68 1gqh s PHE 322 Ca 0.18 -0.91 0.05 0.00 -0.96 0.00 0.00 56.93 55.29 1gqh s PHE 322 Cb -0.15 -1.59 -0.01 0.00 -0.34 0.00 0.00 43.02 40.93 1gqh s PHE 322 CO 0.08 -0.35 -0.16 0.54 -1.46 0.00 0.00 175.22 173.86 1gqh s VAL 323 N 0.26 1.32 -0.01 3.12 0.11 -0.20 -1.37 120.40 123.64 1gqh s VAL 323 Ca -0.15 -0.70 -0.00 0.00 -2.93 0.00 0.00 61.98 58.20 1gqh s VAL 323 Cb -0.17 -1.11 0.01 0.00 -1.53 0.00 0.00 36.38 33.58 1gqh s VAL 323 CO 0.07 0.38 0.02 -0.55 -3.33 0.00 0.00 175.10 171.69 1gqh s SER 324 N -0.27 0.01 -0.10 3.54 0.15 -0.59 -0.60 113.70 115.85 1gqh s SER 324 Ca 0.04 0.03 -0.25 0.00 0.70 0.00 0.00 55.95 56.46 1gqh s SER 324 Cb -0.08 -0.01 -0.03 0.00 -1.71 0.00 0.00 66.02 64.20 1gqh s SER 324 CO 0.00 -0.04 0.81 -0.55 1.20 0.00 0.00 173.24 174.65 1gqh s SER 325 N 0.35 7.04 0.00 5.45 0.15 0.25 -1.21 113.70 125.73 1gqh s SER 325 Ca -0.03 1.27 0.00 0.00 0.70 0.00 0.00 55.95 57.89 1gqh s SER 325 Cb -0.04 -2.46 0.00 0.00 -1.71 0.00 0.00 66.02 61.81 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 3.23 2.07 0.01 9.45 0.00 -0.25 -3.73 105.19 115.96 1gqh n GLY 326 Ca 0.03 -2.19 0.11 0.00 0.00 0.00 0.00 46.02 43.96 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 0.67 -2.52 1.61 3.41 -1.26 -3.11 113.62 112.41 1gqh n SER 327 Ca 0.00 -0.57 -0.17 0.00 -0.26 0.00 0.00 58.87 57.86 1gqh n SER 327 Cb 0.00 1.14 0.02 0.00 -0.26 0.00 0.00 64.21 65.11 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 -1.77 3.23 -2.47 4.04 8.00 -1.26 -4.87 116.55 121.45 1gqh n ASP 328 Ca 0.02 -3.17 -0.07 0.00 0.71 0.00 0.00 54.79 52.28 1gqh n ASP 328 Cb 0.41 -0.47 0.05 0.00 -0.02 0.00 0.00 41.12 41.08 1gqh n ASP 328 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1gqh n GLY 329 N -0.38 -0.93 0.34 0.44 0.00 -1.26 -4.64 105.19 98.77 1gqh n GLY 329 Ca 0.25 -1.72 0.06 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.85 -0.29 0.99 5.85 -1.98 -0.59 115.31 118.45 1gqh h LEU 330 Ca -0.10 0.28 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 1gqh h LEU 330 Cb 0.28 0.58 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 1gqh h LEU 330 CO 0.07 -0.31 -0.03 -2.24 -0.34 0.00 0.00 178.44 175.59 1gqh h ASP 331 N 0.00 0.53 -0.39 1.25 2.03 -1.97 -1.02 116.42 116.84 1gqh h ASP 331 Ca 0.46 -0.33 -0.05 0.00 -0.73 0.00 0.00 57.03 56.38 1gqh h ASP 331 Cb 0.73 -0.14 -0.02 0.00 -0.83 0.00 0.00 39.33 39.06 1gqh h ASP 331 CO -0.97 0.73 0.08 -0.61 -1.03 0.00 0.00 179.24 177.44 1gqh h GLN 332 N 0.31 0.73 -0.71 4.15 5.75 -1.71 -1.41 115.11 122.22 1gqh h GLN 332 Ca 0.08 -0.15 -0.03 0.00 -0.15 0.00 0.00 58.65 58.40 1gqh h GLN 332 Cb 0.48 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.89 1gqh h GLN 332 CO 0.02 0.68 0.33 -0.97 -2.65 0.00 0.00 178.83 176.25 1gqh h ASN 333 N 0.70 0.93 -0.33 -0.69 -0.73 -0.80 -0.55 115.58 114.11 1gqh h ASN 333 Ca 0.15 -0.14 -0.15 0.00 1.87 0.00 0.00 56.30 58.03 1gqh h ASN 333 Cb 0.31 -0.24 -0.01 0.00 0.27 0.00 0.00 38.32 38.66 1gqh h ASN 333 CO 0.00 0.81 -0.36 -0.07 -0.37 0.00 0.00 177.43 177.44 1gqh h LEU 334 N 0.99 0.92 0.17 0.34 3.38 -0.77 -2.08 115.31 118.27 1gqh h LEU 334 Ca 0.24 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1gqh h LEU 334 Cb 0.13 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1gqh h LEU 334 CO -0.03 1.18 -0.08 0.58 0.09 0.00 0.00 178.44 180.18 1gqh h VAL 335 N 0.72 0.84 -0.61 1.22 2.07 -1.11 -1.70 116.25 117.69 1gqh h VAL 335 Ca 0.06 -0.03 0.06 0.00 0.82 0.00 0.00 66.70 67.62 1gqh h VAL 335 Cb 0.94 0.86 -0.04 0.00 -1.52 0.00 0.00 31.29 31.53 1gqh h VAL 335 CO 0.09 0.01 0.40 0.78 0.02 0.00 0.00 177.57 178.87 1gqh h ASN 336 N -0.25 0.52 -0.31 0.57 -0.26 -1.00 0.12 115.58 114.97 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 0.19 -0.11 0.00 0.00 -1.06 0.00 0.00 38.32 37.34 1gqh h ASN 336 CO 0.04 0.34 0.00 0.61 -1.06 0.00 0.00 177.43 177.36 1gqh n GLY 337 N -1.48 0.85 0.00 2.83 0.00 -0.79 -4.93 105.19 101.67 1gqh n GLY 337 Ca 0.09 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 1.23 6.16 3.09 -0.02 0.00 0.43 -4.74 105.19 111.34 1gqh n GLY 338 Ca 0.16 -2.06 -0.07 0.00 0.00 0.00 0.00 46.02 44.04 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 0.69 0.61 0.30 1.61 -1.05 -0.35 -4.95 118.70 115.56 1gqh s GLU 339 Ca 0.00 -1.19 -0.29 0.00 -0.15 0.00 0.00 54.97 53.33 1gqh s GLU 339 Cb 0.00 0.17 -0.11 0.00 -0.44 0.00 0.00 34.13 33.76 1gqh s GLU 339 CO 0.00 -0.10 1.46 -1.21 0.95 0.00 0.00 175.26 176.36 1gqh s GLU 340 N -3.77 4.22 -0.02 -4.83 2.02 -1.26 -0.33 118.70 114.73 1gqh s GLU 340 Ca 0.06 2.40 0.02 0.00 0.02 0.00 0.00 54.97 57.47 1gqh s GLU 340 Cb 0.07 -3.05 0.00 0.00 0.10 0.00 0.00 34.13 31.25 1gqh s GLU 340 CO -0.09 -0.44 -0.06 -0.46 0.02 0.00 0.00 175.26 174.23 1gqh s TRP 341 N -0.46 0.63 -1.87 1.61 -0.11 -0.20 -4.67 118.94 113.87 1gqh s TRP 341 Ca 0.57 -0.13 0.25 0.00 1.22 0.00 0.00 56.10 58.00 1gqh s TRP 341 Cb -0.44 -0.46 0.43 0.00 -1.50 0.00 0.00 33.47 31.50 1gqh s TRP 341 CO 0.50 -0.06 1.37 0.43 -4.62 0.00 0.00 176.95 174.57 1gqh n SER 342 N 3.26 1.45 -4.39 5.86 7.64 -1.26 -4.01 113.62 122.15 1gqh n SER 342 Ca -0.17 -1.16 -0.24 0.00 1.01 0.00 0.00 58.87 58.32 1gqh n SER 342 Cb 0.56 0.28 -0.11 0.00 -1.01 0.00 0.00 64.21 63.93 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 -2.49 3.12 0.04 6.43 0.15 -1.26 -4.99 113.70 114.69 1gqh s SER 343 Ca 0.22 -0.92 0.28 0.00 0.70 0.00 0.00 55.95 56.23 1gqh s SER 343 Cb 0.19 -0.22 1.14 0.00 -1.71 0.00 0.00 66.02 65.42 1gqh s SER 343 CO 0.54 0.02 1.88 1.33 1.20 0.00 0.00 173.24 178.22 1gqh n VAL 344 N 0.01 0.10 -3.97 4.45 0.24 -1.26 -4.82 118.33 113.08 1gqh n VAL 344 Ca -0.11 -0.05 -0.30 0.00 -2.04 0.00 0.00 64.34 61.85 1gqh n VAL 344 Cb 0.58 -0.49 -0.05 0.00 -1.47 0.00 0.00 33.84 32.41 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 -3.27 6.08 0.55 -1.34 0.01 -1.26 -5.04 113.70 109.44 1gqh s SER 345 Ca 0.13 0.15 0.01 0.00 1.31 0.00 0.00 55.95 57.55 1gqh s SER 345 Cb 0.18 -1.79 0.03 0.00 0.21 0.00 0.00 66.02 64.65 1gqh s SER 345 CO 0.55 0.14 0.78 0.72 0.41 0.00 0.00 173.24 175.84 1gqh s PHE 346 N -1.54 2.90 0.63 2.43 -0.12 -1.26 -5.03 117.98 115.98 1gqh s PHE 346 Ca 0.33 0.05 -0.18 0.00 -0.05 0.00 0.00 56.93 57.07 1gqh s PHE 346 Cb -0.12 -2.75 -0.03 0.00 -0.63 0.00 0.00 43.02 39.50 1gqh s PHE 346 CO 0.26 -0.87 1.18 -2.30 -0.05 0.00 0.00 175.22 173.45 1gqh n PRO 347 N -2.36 1.08 0.13 1.99 -0.02 -1.26 -4.90 135.00 129.65 1gqh n PRO 347 Ca 0.07 0.42 0.13 0.00 -2.02 0.00 0.00 63.50 62.10 1gqh n PRO 347 Cb 0.60 -2.41 0.42 0.00 -0.02 0.00 0.00 33.50 32.09 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 0.58 1.00 -4.36 3.55 0.00 -2.08 -3.44 119.26 114.51 1gqh h ALA 348 Ca -0.50 0.00 -0.62 0.00 0.00 0.00 0.00 54.91 53.78 1gqh h ALA 348 Cb 1.35 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 18.85 1gqh h ALA 348 CO 0.52 0.00 -0.86 -0.51 0.00 0.00 0.00 179.25 178.40 1gqh s ASP 349 N -4.61 2.63 0.00 0.00 1.01 -1.26 -5.28 116.67 109.15 1gqh s ASP 349 Ca 0.08 -0.45 0.12 0.00 0.71 0.00 0.00 52.55 53.02 1gqh s ASP 349 Cb 0.11 -0.27 0.74 0.00 1.01 0.00 0.00 42.92 44.51 1gqh s ASP 349 CO 0.54 0.24 1.17 0.79 0.21 0.00 0.00 175.17 178.12