#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 7.01 0.58 6.43 0.15 -1.26 -2.43 113.70 124.17 1gqh s SER 4 Ca 0.00 1.20 0.36 0.00 0.70 0.00 0.00 55.95 58.22 1gqh s SER 4 Cb 0.00 -2.40 1.59 0.00 -1.71 0.00 0.00 66.02 63.50 1gqh s SER 4 CO 0.00 -0.01 2.07 -0.07 1.20 0.00 0.00 173.24 176.43 1gqh h LEU 5 N 6.15 0.00 -9.39 3.45 3.38 -1.90 -3.46 115.31 113.54 1gqh h LEU 5 Ca -0.43 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.00 1gqh h LEU 5 Cb 1.20 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.94 1gqh h LEU 5 CO 0.72 0.00 0.64 -0.63 0.09 0.00 0.00 178.44 179.26 1gqh s ILE 6 N -3.77 4.14 0.16 1.22 -1.09 -1.26 -1.53 121.20 119.08 1gqh s ILE 6 Ca -0.00 1.51 0.06 0.00 -2.23 0.00 0.00 60.65 59.98 1gqh s ILE 6 Cb 0.10 -3.97 -0.04 0.00 -1.58 0.00 0.00 42.46 36.97 1gqh s ILE 6 CO 0.51 0.05 -0.13 0.68 -1.23 0.00 0.00 174.94 174.83 1gqh s VAL 7 N 1.69 1.42 -0.12 2.92 -7.23 -0.85 -4.94 120.40 113.28 1gqh s VAL 7 Ca 0.58 -2.05 0.21 0.00 -1.81 0.00 0.00 61.98 58.91 1gqh s VAL 7 Cb -0.27 -1.85 -0.21 0.00 0.56 0.00 0.00 36.38 34.60 1gqh s VAL 7 CO 0.26 -0.62 0.62 1.21 -0.31 0.00 0.00 175.10 176.26 1gqh n GLU 8 N -0.11 0.64 -4.12 4.82 4.07 -1.26 -4.39 120.64 120.30 1gqh n GLU 8 Ca -0.10 -0.03 -0.11 0.00 -0.06 0.00 0.00 57.16 56.85 1gqh n GLU 8 Cb 0.60 -1.64 -0.11 0.00 -0.06 0.00 0.00 31.44 30.23 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 -5.03 0.97 0.38 4.31 1.11 -1.26 -0.78 116.67 116.36 1gqh s ASP 9 Ca -0.06 -0.82 -0.27 0.00 0.18 0.00 0.00 52.55 51.58 1gqh s ASP 9 Cb 0.11 0.08 -0.10 0.00 1.07 0.00 0.00 42.92 44.08 1gqh s ASP 9 CO 0.86 -0.37 1.35 0.00 1.18 0.00 0.00 175.17 178.18 1gqh s ALA 10 N -2.73 3.41 0.82 5.23 0.00 -1.26 -4.95 121.76 122.28 1gqh s ALA 10 Ca 0.02 1.32 -0.10 0.00 0.00 0.00 0.00 51.96 53.20 1gqh s ALA 10 Cb -0.01 -3.51 0.09 0.00 0.00 0.00 0.00 23.12 19.69 1gqh s ALA 10 CO -0.03 -0.82 1.11 -2.14 0.00 0.00 0.00 175.76 173.88 1gqh s PRO 11 N -2.06 1.81 -0.04 0.00 0.02 -1.26 -4.91 135.00 128.56 1gqh s PRO 11 Ca 0.53 1.32 0.08 0.00 0.02 0.00 0.00 61.00 62.96 1gqh s PRO 11 Cb -0.41 -1.83 0.30 0.00 0.02 0.00 0.00 34.50 32.58 1gqh s PRO 11 CO 0.54 -2.01 1.15 -0.40 -0.33 0.00 0.00 177.00 175.95 1gqh n ASP 12 N -3.76 2.20 -3.73 2.53 5.68 -1.26 -3.37 116.55 114.84 1gqh n ASP 12 Ca 0.10 -2.16 -0.08 0.00 -0.50 0.00 0.00 54.79 52.16 1gqh n ASP 12 Cb 0.53 -0.36 -0.02 0.00 -1.14 0.00 0.00 41.12 40.13 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 -1.65 0.02 -0.00 2.11 -3.43 -1.21 -4.74 115.29 106.40 1gqh s HIS 13 Ca 0.22 -0.48 -0.27 0.00 -0.80 0.00 0.00 55.06 53.72 1gqh s HIS 13 Cb 0.14 0.59 -0.04 0.00 -1.43 0.00 0.00 32.58 31.84 1gqh s HIS 13 CO 0.11 -1.23 0.87 0.08 -2.00 0.00 0.00 174.74 172.57 1gqh s VAL 14 N -3.67 4.86 -0.19 -5.38 1.01 -1.22 -4.41 120.40 111.41 1gqh s VAL 14 Ca 0.15 1.83 -0.35 0.00 0.00 0.00 0.00 61.98 63.61 1gqh s VAL 14 Cb -0.05 -4.21 0.14 0.00 0.00 0.00 0.00 36.38 32.26 1gqh s VAL 14 CO 0.09 0.23 1.21 0.00 0.00 0.00 0.00 175.10 176.63 1gqh s ARG 15 N 0.69 0.31 0.28 2.72 1.70 -1.26 -5.08 118.95 118.31 1gqh s ARG 15 Ca 0.45 -0.12 -0.30 0.00 -0.47 0.00 0.00 55.73 55.30 1gqh s ARG 15 Cb -0.20 0.14 -0.11 0.00 -0.57 0.00 0.00 34.95 34.21 1gqh s ARG 15 CO 0.25 -0.14 1.50 -2.14 -1.08 0.00 0.00 175.30 173.69 1gqh s PRO 16 N -2.42 4.19 0.23 3.89 0.02 -1.26 -4.63 135.00 135.02 1gqh s PRO 16 Ca 0.09 2.44 -0.21 0.00 0.02 0.00 0.00 61.00 63.34 1gqh s PRO 16 Cb -0.01 -3.06 0.04 0.00 0.02 0.00 0.00 34.50 31.50 1gqh s PRO 16 CO -0.05 -0.51 0.66 1.52 -0.33 0.00 0.00 177.00 178.29 1gqh s TYR 17 N -0.18 -0.32 -0.04 6.54 1.13 -1.07 -4.89 117.35 118.52 1gqh s TYR 17 Ca 0.60 -0.03 0.01 0.00 -1.41 0.00 0.00 57.07 56.24 1gqh s TYR 17 Cb -0.45 0.62 0.02 0.00 -1.10 0.00 0.00 41.96 41.06 1gqh s TYR 17 CO 0.48 -1.06 -0.05 0.08 -2.51 0.00 0.00 175.55 172.49 1gqh s VAL 18 N -3.85 0.58 -0.13 -3.49 1.01 -0.58 -0.53 120.40 113.41 1gqh s VAL 18 Ca 0.07 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 61.91 1gqh s VAL 18 Cb -0.04 -0.59 0.01 0.00 0.00 0.00 0.00 36.38 35.77 1gqh s VAL 18 CO -0.02 0.23 -0.19 -0.51 0.00 0.00 0.00 175.10 174.61 1gqh s ILE 19 N 0.81 1.85 0.55 2.22 2.07 -0.21 -2.01 121.20 126.48 1gqh s ILE 19 Ca -0.11 -0.85 -0.20 0.00 -1.41 0.00 0.00 60.65 58.08 1gqh s ILE 19 Cb -0.14 -1.66 -0.05 0.00 0.13 0.00 0.00 42.46 40.74 1gqh s ILE 19 CO 0.01 0.51 1.15 -0.13 -1.91 0.00 0.00 174.94 174.57 1gqh s ARG 20 N 0.94 3.30 0.27 3.50 1.81 -1.26 -1.48 118.95 126.03 1gqh s ARG 20 Ca -0.05 1.67 -0.30 0.00 -1.72 0.00 0.00 55.73 55.33 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 -0.03 -0.91 1.24 1.58 -0.68 0.00 0.00 175.30 176.50 1gqh n HIS 21 N -1.31 1.84 -1.35 -0.53 -0.00 -1.25 -1.35 115.22 111.26 1gqh n HIS 21 Ca 0.12 0.57 -0.12 0.00 0.46 0.00 0.00 57.72 58.74 1gqh n HIS 21 Cb 0.50 -2.37 -0.05 0.00 -0.12 0.00 0.00 29.99 27.95 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 1.01 0.00 -0.87 1.57 4.01 -1.26 -4.98 117.16 116.64 1gqh n TYR 22 Ca 0.10 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.53 1gqh n TYR 22 Cb 0.32 -2.37 0.16 0.00 -0.31 0.00 0.00 39.34 37.14 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 -2.72 3.00 0.16 7.72 0.01 -0.46 -4.82 113.70 116.60 1gqh s SER 23 Ca 0.00 1.89 -0.20 0.00 1.31 0.00 0.00 55.95 58.95 1gqh s SER 23 Cb 0.00 -2.45 0.07 0.00 0.21 0.00 0.00 66.02 63.85 1gqh s SER 23 CO 0.00 -3.00 1.63 -0.74 0.41 0.00 0.00 173.24 171.54 1gqh h HIS 24 N -1.80 -0.57 -6.57 2.43 2.76 -1.84 -3.45 115.15 106.11 1gqh h HIS 24 Ca -0.47 0.04 -0.52 0.00 -2.20 0.00 0.00 60.37 57.22 1gqh h HIS 24 Cb 1.27 0.30 -0.12 0.00 1.55 0.00 0.00 27.41 30.42 1gqh h HIS 24 CO 0.47 -0.30 -0.84 0.00 -1.30 0.00 0.00 177.93 175.96 1gqh n ALA 25 N -2.86 -1.52 -3.21 5.26 0.00 0.04 -1.33 120.51 116.90 1gqh n ALA 25 Ca 0.01 -0.06 -0.23 0.00 0.00 0.00 0.00 53.44 53.16 1gqh n ALA 25 Cb 0.29 -3.00 0.03 0.00 0.00 0.00 0.00 19.45 16.77 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 -4.45 -5.05 -1.65 0.00 0.00 -1.26 -1.35 116.66 102.90 1gqh n ARG 26 Ca -0.06 0.80 -0.42 0.00 -0.00 0.00 0.00 57.85 58.16 1gqh n ARG 26 Cb 0.56 -5.66 0.00 0.00 0.00 0.00 0.00 32.46 27.36 1gqh n ARG 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1gqh n ALA 27 N -3.80 0.63 -2.12 5.13 0.00 -0.44 -4.74 120.51 115.16 1gqh n ALA 27 Ca -0.07 0.30 -0.08 0.00 0.00 0.00 0.00 53.44 53.59 1gqh n ALA 27 Cb 0.59 -2.15 -0.10 0.00 0.00 0.00 0.00 19.45 17.79 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 -1.17 0.41 0.05 0.00 -7.23 -0.92 -1.39 120.40 110.14 1gqh s VAL 28 Ca 0.60 -1.86 0.09 0.00 -1.81 0.00 0.00 61.98 59.00 1gqh s VAL 28 Cb -0.58 -1.59 -0.03 0.00 0.56 0.00 0.00 36.38 34.74 1gqh s VAL 28 CO 0.59 -0.95 -0.26 0.42 -0.31 0.00 0.00 175.10 174.59 1gqh s THR 29 N -3.80 2.14 -0.31 5.32 -4.23 -0.35 -0.42 115.64 113.98 1gqh s THR 29 Ca 0.09 -1.39 0.02 0.00 -1.18 0.00 0.00 61.69 59.22 1gqh s THR 29 Cb 0.07 -1.83 0.10 0.00 1.34 0.00 0.00 72.50 72.18 1gqh s THR 29 CO -0.08 0.36 0.06 -0.69 -0.54 0.00 0.00 174.62 173.74 1gqh s VAL 30 N -0.81 1.58 0.00 2.29 1.01 -0.22 -0.72 120.40 123.53 1gqh s VAL 30 Ca 0.12 -1.81 0.00 0.00 0.00 0.00 0.00 61.98 60.29 1gqh s VAL 30 Cb -0.10 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.14 1gqh s VAL 30 CO 0.02 -0.58 0.00 0.47 0.00 0.00 0.00 175.10 175.01 1gqh n ASP 31 N 4.56 0.00 0.07 3.32 8.00 -1.26 -1.77 116.55 129.46 1gqh n ASP 31 Ca -0.00 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.63 1gqh n ASP 31 Cb 0.42 0.00 0.48 0.00 -0.02 0.00 0.00 41.12 42.00 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 0.43 -2.70 -3.53 -2.24 -1.26 -4.83 114.28 100.15 1gqh n THR 32 Ca 0.00 -0.12 -0.41 0.00 -2.27 0.00 0.00 64.05 61.24 1gqh n THR 32 Cb 0.00 -0.62 -0.04 0.00 -2.10 0.00 0.00 70.33 67.57 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 -3.08 4.66 -0.21 -0.78 -0.21 -0.73 -4.58 119.66 114.73 1gqh s GLN 33 Ca 0.11 1.48 -0.04 0.00 0.02 0.00 0.00 55.36 56.93 1gqh s GLN 33 Cb 0.14 -3.38 -0.01 0.00 1.00 0.00 0.00 33.01 30.76 1gqh s GLN 33 CO 0.54 0.15 -0.05 -1.17 -2.12 0.00 0.00 175.29 172.65 1gqh s LEU 34 N 0.13 2.91 -0.15 2.90 0.20 -0.06 -1.06 118.68 123.55 1gqh s LEU 34 Ca 0.48 -0.37 -0.07 0.00 0.69 0.00 0.00 54.13 54.85 1gqh s LEU 34 Cb -0.24 -1.74 -0.04 0.00 -0.43 0.00 0.00 46.19 43.74 1gqh s LEU 34 CO 0.30 -0.00 0.11 -0.31 -0.29 0.00 0.00 176.35 176.16 1gqh s TYR 35 N 1.38 3.45 -0.04 5.38 1.51 0.44 -1.05 117.35 128.41 1gqh s TYR 35 Ca 0.05 0.37 0.05 0.00 -1.01 0.00 0.00 57.07 56.53 1gqh s TYR 35 Cb -0.14 -2.00 -0.01 0.00 -0.11 0.00 0.00 41.96 39.70 1gqh s TYR 35 CO -0.02 0.50 -0.19 1.03 -1.11 0.00 0.00 175.55 175.76 1gqh s ARG 36 N -0.43 1.86 -0.70 -0.62 0.52 0.49 -2.16 118.95 117.90 1gqh s ARG 36 Ca 0.11 -0.66 -0.06 0.00 -0.52 0.00 0.00 55.73 54.60 1gqh s ARG 36 Cb -0.12 -1.63 0.18 0.00 0.52 0.00 0.00 34.95 33.91 1gqh s ARG 36 CO 0.02 0.29 0.55 -0.06 0.02 0.00 0.00 175.30 176.11 1gqh s PHE 37 N -0.06 3.51 0.17 -0.53 0.08 -0.46 -0.65 117.98 120.05 1gqh s PHE 37 Ca -0.02 -2.52 -0.04 0.00 0.12 0.00 0.00 56.93 54.47 1gqh s PHE 37 Cb -0.11 -3.38 0.06 0.00 -0.57 0.00 0.00 43.02 39.02 1gqh s PHE 37 CO 0.02 -0.88 1.45 1.88 -0.10 0.00 0.00 175.22 177.59 1gqh h TYR 38 N 7.20 0.69 -3.57 0.36 0.05 -1.36 -3.38 116.97 116.95 1gqh h TYR 38 Ca 0.03 -0.27 -0.39 0.00 0.05 0.00 0.00 58.73 58.14 1gqh h TYR 38 Cb 0.97 -0.12 -0.33 0.00 1.01 0.00 0.00 36.73 38.27 1gqh h TYR 38 CO 0.81 1.03 -0.77 0.08 -1.05 0.00 0.00 178.16 178.26 1gqh s VAL 39 N -3.82 0.51 0.51 -2.88 1.01 -0.58 -4.59 120.40 110.56 1gqh s VAL 39 Ca -0.07 -0.15 0.01 0.00 0.00 0.00 0.00 61.98 61.77 1gqh s VAL 39 Cb 0.11 -0.52 -0.00 0.00 0.00 0.00 0.00 36.38 35.96 1gqh s VAL 39 CO 0.85 0.20 0.02 0.42 0.00 0.00 0.00 175.10 176.60 1gqh s THR 40 N 0.68 0.93 0.07 3.92 -4.23 -1.26 -1.24 115.64 114.51 1gqh s THR 40 Ca -0.09 -2.00 -0.36 0.00 -1.18 0.00 0.00 61.69 58.06 1gqh s THR 40 Cb -0.12 -2.06 -0.18 0.00 1.34 0.00 0.00 72.50 71.48 1gqh s THR 40 CO 0.00 0.00 1.55 1.23 -0.54 0.00 0.00 174.62 176.86 1gqh h GLY 41 N 1.35 -1.31 1.54 3.99 0.00 -1.84 0.81 103.07 107.61 1gqh h GLY 41 Ca -0.42 0.56 0.02 0.00 0.00 0.00 0.00 47.33 47.48 1gqh h GLY 41 CO 0.70 -0.43 0.27 -2.55 0.00 0.00 0.00 176.54 174.53 1gqh h PRO 42 N -1.13 0.47 0.00 4.80 0.11 -1.89 1.39 132.00 135.75 1gqh h PRO 42 Ca -0.09 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.90 1gqh h PRO 42 Cb 0.93 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.92 1gqh h PRO 42 CO 0.06 0.31 -0.42 0.66 -0.21 0.00 0.00 178.00 178.40 1gqh h SER 43 N 0.49 0.00 -0.28 -2.05 4.64 -1.50 -3.19 113.55 111.66 1gqh h SER 43 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1gqh h SER 43 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 1gqh h SER 43 CO -0.04 0.42 0.00 -1.54 -0.87 0.00 0.00 176.83 174.81 1gqh n SER 44 N -3.30 2.72 -2.45 4.97 3.41 0.25 -4.17 113.62 115.06 1gqh n SER 44 Ca 0.01 -1.90 -0.17 0.00 -0.26 0.00 0.00 58.87 56.55 1gqh n SER 44 Cb 0.64 -0.19 0.04 0.00 -0.26 0.00 0.00 64.21 64.45 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 0.51 -0.16 2.68 5.00 0.00 0.32 -2.68 105.19 110.85 1gqh n GLY 45 Ca 0.10 -0.07 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 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 -4.23 0.00 -0.11 1.61 4.01 0.45 -4.88 117.16 114.01 1gqh n TYR 46 Ca -0.05 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.59 1gqh n TYR 46 Cb 0.57 -1.96 -0.03 0.00 -0.31 0.00 0.00 39.34 37.61 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 0.44 -1.75 -0.72 0.00 -1.74 -0.83 119.26 114.66 1gqh h ALA 47 Ca -0.11 -0.24 0.26 0.00 0.00 0.00 0.00 54.91 54.82 1gqh h ALA 47 Cb 0.87 -0.12 -0.12 0.00 0.00 0.00 0.00 17.79 18.42 1gqh h ALA 47 CO 0.16 0.20 0.71 -0.59 0.00 0.00 0.00 179.25 179.72 1gqh s PHE 48 N -4.99 -0.10 -0.05 0.00 -0.12 -1.26 -3.30 117.98 108.15 1gqh s PHE 48 Ca -0.13 -0.05 0.06 0.00 -0.05 0.00 0.00 56.93 56.76 1gqh s PHE 48 Cb 0.09 0.57 -0.01 0.00 -0.63 0.00 0.00 43.02 43.03 1gqh s PHE 48 CO 0.77 -0.43 -0.25 0.99 -0.05 0.00 0.00 175.22 176.25 1gqh s THR 49 N -2.71 2.12 -0.15 -4.49 2.01 -0.12 -4.33 115.64 107.96 1gqh s THR 49 Ca 0.12 -1.05 0.00 0.00 0.31 0.00 0.00 61.69 61.07 1gqh s THR 49 Cb 0.02 -1.76 0.03 0.00 0.01 0.00 0.00 72.50 70.80 1gqh s THR 49 CO -0.03 0.57 -0.10 -0.22 -0.69 0.00 0.00 174.62 174.15 1gqh s LEU 50 N -0.26 1.65 0.10 4.42 0.20 -0.37 -1.89 118.68 122.52 1gqh s LEU 50 Ca -0.01 -0.54 0.03 0.00 0.69 0.00 0.00 54.13 54.31 1gqh s LEU 50 Cb -0.13 -1.06 -0.04 0.00 -0.43 0.00 0.00 46.19 44.53 1gqh s LEU 50 CO 0.03 -0.11 -0.09 0.00 -0.29 0.00 0.00 176.35 175.89 1gqh s MET 51 N 1.55 0.85 -0.14 1.98 0.23 0.01 -1.03 119.30 122.75 1gqh s MET 51 Ca 0.03 -1.20 -0.01 0.00 -1.03 0.00 0.00 55.69 53.49 1gqh s MET 51 Cb -0.14 -0.47 -0.01 0.00 -1.53 0.00 0.00 34.83 32.68 1gqh s MET 51 CO -0.09 0.06 -0.12 0.20 -2.03 0.00 0.00 175.02 173.04 1gqh s GLY 52 N -2.58 1.55 -0.24 3.16 0.00 0.18 -0.42 107.32 108.97 1gqh s GLY 52 Ca 0.07 -0.90 -0.01 0.00 0.00 0.00 0.00 44.72 43.88 1gqh s GLY 52 CO -0.01 -0.14 -0.09 -1.59 0.00 0.00 0.00 173.10 171.27 1gqh s THR 53 N 0.42 2.65 -0.11 0.90 2.01 -0.16 -0.38 115.64 120.96 1gqh s THR 53 Ca -0.09 -1.10 -0.03 0.00 0.31 0.00 0.00 61.69 60.77 1gqh s THR 53 Cb -0.16 -2.35 -0.03 0.00 0.01 0.00 0.00 72.50 69.98 1gqh s THR 53 CO 0.05 0.21 -0.00 0.20 -0.69 0.00 0.00 174.62 174.39 1gqh s ASN 54 N 1.29 5.16 0.06 3.53 -0.87 -0.22 -1.55 114.94 122.34 1gqh s ASN 54 Ca -0.00 0.07 -0.26 0.00 -1.57 0.00 0.00 52.86 51.09 1gqh s ASN 54 Cb -0.17 -1.58 0.08 0.00 -0.02 0.00 0.00 41.25 39.56 1gqh s ASN 54 CO -0.06 0.31 0.70 0.00 -2.57 0.00 0.00 177.10 175.48 1gqh s ALA 55 N -0.46 -1.70 0.75 0.60 0.00 -1.00 -0.88 121.76 119.06 1gqh s ALA 55 Ca 0.08 0.84 -0.06 0.00 0.00 0.00 0.00 51.96 52.83 1gqh s ALA 55 Cb -0.12 0.50 0.11 0.00 0.00 0.00 0.00 23.12 23.61 1gqh s ALA 55 CO 0.02 -0.64 1.05 -1.25 0.00 0.00 0.00 175.76 174.94 1gqh s PRO 56 N -2.90 1.73 0.54 0.00 0.04 -1.26 -3.19 135.00 129.97 1gqh s PRO 56 Ca -0.01 -0.64 -0.21 0.00 0.04 0.00 0.00 61.00 60.19 1gqh s PRO 56 Cb -0.01 -2.19 -0.07 0.00 0.04 0.00 0.00 34.50 32.28 1gqh s PRO 56 CO -0.06 -1.50 1.03 1.58 0.04 0.00 0.00 177.00 178.09 1gqh n HIS 57 N -3.01 1.13 -3.84 0.56 -0.00 -1.24 -4.78 115.22 104.04 1gqh n HIS 57 Ca 0.12 0.47 -0.12 0.00 -0.00 0.00 0.00 57.72 58.19 1gqh n HIS 57 Cb 0.60 -2.20 -0.12 0.00 -0.00 0.00 0.00 29.99 28.27 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 -1.03 -0.08 0.00 0.26 0.15 -0.90 -5.01 113.70 107.09 1gqh s SER 58 Ca 0.71 0.14 0.18 0.00 0.70 0.00 0.00 55.95 57.68 1gqh s SER 58 Cb -0.46 0.22 0.64 0.00 -1.71 0.00 0.00 66.02 64.71 1gqh s SER 58 CO 0.51 -0.09 1.47 0.47 1.20 0.00 0.00 173.24 176.80 1gqh n ASP 59 N 2.78 1.61 -4.29 5.45 8.00 -1.26 -4.60 116.55 124.24 1gqh n ASP 59 Ca -0.14 -1.77 -0.17 0.00 0.71 0.00 0.00 54.79 53.42 1gqh n ASP 59 Cb 0.59 -0.13 -0.10 0.00 -0.02 0.00 0.00 41.12 41.45 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 -1.74 1.73 0.72 2.24 0.00 -1.26 -5.13 121.76 118.33 1gqh s ALA 60 Ca 0.29 -1.54 -0.16 0.00 0.00 0.00 0.00 51.96 50.56 1gqh s ALA 60 Cb 0.16 -0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.24 1gqh s ALA 60 CO 0.23 0.02 0.92 1.28 0.00 0.00 0.00 175.76 178.21 1gqh n LEU 61 N -0.16 3.21 -0.36 0.00 4.77 -1.26 -4.60 117.00 118.60 1gqh n LEU 61 Ca -0.10 0.66 0.12 0.00 -0.03 0.00 0.00 56.01 56.66 1gqh n LEU 61 Cb 0.60 -1.39 0.23 0.00 -2.33 0.00 0.00 43.42 40.53 1gqh n LEU 61 CO 0.32 -2.16 0.53 0.61 -1.33 0.00 0.00 177.39 175.36 1gqh n GLY 62 N 1.14 -0.33 3.57 -0.72 0.00 -0.26 -4.92 105.19 103.68 1gqh n GLY 62 Ca 0.13 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.53 1gqh n GLY 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gqh s VAL 63 N -2.47 0.00 0.32 1.61 0.11 -1.26 -4.99 120.40 113.72 1gqh s VAL 63 Ca 0.23 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 59.00 1gqh s VAL 63 Cb 0.19 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.94 1gqh s VAL 63 CO 0.53 0.00 1.02 -0.76 -3.33 0.00 0.00 175.10 172.56 1gqh s LEU 64 N -1.03 4.40 0.18 2.54 2.01 -1.26 -4.57 118.68 120.95 1gqh s LEU 64 Ca -0.03 2.04 -0.33 0.00 0.01 0.00 0.00 54.13 55.82 1gqh s LEU 64 Cb -0.01 -3.88 -0.15 0.00 0.01 0.00 0.00 46.19 42.16 1gqh s LEU 64 CO 0.03 -0.17 1.30 -2.65 1.01 0.00 0.00 176.35 175.86 1gqh n PRO 65 N 0.72 1.52 -3.91 1.29 -0.02 -1.26 -4.88 135.00 128.46 1gqh n PRO 65 Ca 0.01 0.54 -0.09 0.00 -2.02 0.00 0.00 63.50 61.95 1gqh n PRO 65 Cb 0.48 -2.13 -0.02 0.00 -0.02 0.00 0.00 33.50 31.80 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 0.03 0.15 0.14 6.00 -3.43 -1.07 -1.39 115.29 115.72 1gqh s HIS 66 Ca 0.74 -0.60 0.08 0.00 -0.80 0.00 0.00 55.06 54.48 1gqh s HIS 66 Cb -0.79 0.51 -0.04 0.00 -1.43 0.00 0.00 32.58 30.83 1gqh s HIS 66 CO 0.49 -1.22 -0.19 0.42 -2.00 0.00 0.00 174.74 172.25 1gqh s ILE 67 N -3.57 1.75 -0.14 -5.38 1.01 0.42 -2.14 121.20 113.14 1gqh s ILE 67 Ca 0.17 -1.80 0.01 0.00 0.00 0.00 0.00 60.65 59.03 1gqh s ILE 67 Cb -0.04 -1.74 0.00 0.00 0.01 0.00 0.00 42.46 40.70 1gqh s ILE 67 CO 0.10 -0.25 -0.18 -1.00 0.00 0.00 0.00 174.94 173.60 1gqh s HIS 68 N -1.82 2.73 -0.16 3.97 3.76 -1.26 -0.79 115.29 121.72 1gqh s HIS 68 Ca 0.13 -1.10 0.18 0.00 -0.15 0.00 0.00 55.06 54.11 1gqh s HIS 68 Cb -0.07 -1.85 -0.04 0.00 1.11 0.00 0.00 32.58 31.73 1gqh s HIS 68 CO 0.06 -0.49 1.06 1.96 -0.85 0.00 0.00 174.74 176.47 1gqh h GLN 69 N 7.23 0.00 0.00 1.40 4.20 -1.96 0.10 115.11 126.08 1gqh h GLN 69 Ca -0.31 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.40 1gqh h GLN 69 Cb 1.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.98 1gqh h GLN 69 CO 0.56 0.28 0.00 1.63 -0.67 0.00 0.00 178.83 180.63 1gqh n LYS 70 N -2.95 1.75 -4.78 1.46 5.02 -1.26 -4.60 118.16 112.81 1gqh n LYS 70 Ca -0.04 -1.11 -0.25 0.00 -2.02 0.00 0.00 58.31 54.89 1gqh n LYS 70 Cb 0.75 -0.88 -0.16 0.00 -0.02 0.00 0.00 35.03 34.73 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 -0.63 1.58 -0.28 2.13 3.76 -1.26 -4.36 115.29 116.22 1gqh s HIS 71 Ca 0.00 -0.41 -0.14 0.00 -0.15 0.00 0.00 55.06 54.36 1gqh s HIS 71 Cb 0.00 -1.06 -0.04 0.00 1.11 0.00 0.00 32.58 32.60 1gqh s HIS 71 CO 0.00 -0.12 0.32 -0.47 -0.85 0.00 0.00 174.74 173.61 1gqh s TYR 72 N -0.05 3.23 -0.06 1.40 6.14 0.10 -3.93 117.35 124.19 1gqh s TYR 72 Ca -0.01 0.26 -0.05 0.00 0.64 0.00 0.00 57.07 57.91 1gqh s TYR 72 Cb -0.10 -2.53 -0.04 0.00 0.42 0.00 0.00 41.96 39.71 1gqh s TYR 72 CO 0.01 -0.24 0.16 -2.00 0.64 0.00 0.00 175.55 174.12 1gqh s GLU 73 N 1.97 3.42 -0.06 4.97 2.12 -0.36 -1.85 118.70 128.92 1gqh s GLU 73 Ca 0.12 -0.23 0.02 0.00 0.36 0.00 0.00 54.97 55.23 1gqh s GLU 73 Cb -0.16 -3.13 0.02 0.00 0.26 0.00 0.00 34.13 31.12 1gqh s GLU 73 CO 0.10 0.73 -0.08 -0.80 -0.54 0.00 0.00 175.26 174.67 1gqh s ASN 74 N -1.47 1.39 -0.21 -1.70 0.01 -0.39 -0.17 114.94 112.39 1gqh s ASN 74 Ca 0.21 -0.22 -0.03 0.00 -0.71 0.00 0.00 52.86 52.11 1gqh s ASN 74 Cb -0.12 -0.64 -0.01 0.00 0.41 0.00 0.00 41.25 40.89 1gqh s ASN 74 CO 0.11 -0.02 -0.05 -0.36 -1.51 0.00 0.00 177.10 175.27 1gqh s PHE 75 N 0.83 2.95 -0.09 2.20 0.40 0.71 -2.19 117.98 122.79 1gqh s PHE 75 Ca -0.12 -0.91 0.03 0.00 -0.60 0.00 0.00 56.93 55.33 1gqh s PHE 75 Cb -0.15 -2.08 0.01 0.00 0.51 0.00 0.00 43.02 41.31 1gqh s PHE 75 CO 0.01 -0.52 -0.18 -0.47 0.70 0.00 0.00 175.22 174.77 1gqh s TYR 76 N 1.37 1.99 -0.47 0.36 5.04 -0.18 0.23 117.35 125.69 1gqh s TYR 76 Ca 0.04 -0.81 -0.24 0.00 -2.44 0.00 0.00 57.07 53.63 1gqh s TYR 76 Cb -0.14 -1.39 0.03 0.00 0.35 0.00 0.00 41.96 40.81 1gqh s TYR 76 CO -0.03 -0.37 0.84 0.00 -1.34 0.00 0.00 175.55 174.65 1gqh h ASN 78 N 9.07 0.90 -4.88 0.00 -0.73 -0.81 0.24 115.58 119.37 1gqh h ASN 78 Ca -0.25 -0.58 0.16 0.00 1.87 0.00 0.00 56.30 57.51 1gqh h ASN 78 Cb 1.08 -0.26 -0.13 0.00 0.27 0.00 0.00 38.32 39.27 1gqh h ASN 78 CO 1.00 1.37 0.56 -1.59 -0.37 0.00 0.00 177.43 178.40 1gqh s LYS 79 N -3.78 0.83 3.93 6.67 -2.85 -1.16 -4.53 119.74 118.85 1gqh s LYS 79 Ca -0.10 -0.37 0.00 0.00 -1.00 0.00 0.00 55.97 54.50 1gqh s LYS 79 Cb 0.09 0.34 0.00 0.00 -2.06 0.00 0.00 37.83 36.20 1gqh s LYS 79 CO 0.90 -0.37 0.00 0.41 0.10 0.00 0.00 175.35 176.39 1gqh n GLY 80 N -0.31 0.37 3.54 0.59 0.00 -1.19 -0.62 105.19 107.58 1gqh n GLY 80 Ca -0.07 -0.93 -0.10 0.00 0.00 0.00 0.00 46.02 44.92 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 -0.38 -0.06 1.61 1.04 -1.26 -3.47 113.70 107.18 1gqh s SER 81 Ca 0.00 0.24 -0.20 0.00 0.48 0.00 0.00 55.95 56.47 1gqh s SER 81 Cb 0.00 0.34 0.04 0.00 0.10 0.00 0.00 66.02 66.51 1gqh s SER 81 CO 0.00 -0.47 0.46 0.72 0.98 0.00 0.00 173.24 174.93 1gqh s PHE 82 N -1.98 -0.40 0.10 5.02 -0.12 -0.77 -0.97 117.98 118.87 1gqh s PHE 82 Ca 0.01 0.76 -0.21 0.00 -0.05 0.00 0.00 56.93 57.44 1gqh s PHE 82 Cb -0.01 0.21 -0.07 0.00 -0.63 0.00 0.00 43.02 42.52 1gqh s PHE 82 CO -0.02 -0.42 0.62 -1.14 -0.05 0.00 0.00 175.22 174.21 1gqh s GLN 83 N -0.91 4.29 -0.03 1.99 0.74 0.04 -0.63 119.66 125.14 1gqh s GLN 83 Ca -0.10 0.84 0.05 0.00 0.05 0.00 0.00 55.36 56.20 1gqh s GLN 83 Cb -0.03 -3.22 -0.01 0.00 1.10 0.00 0.00 33.01 30.85 1gqh s GLN 83 CO 0.05 0.61 -0.19 -1.17 -0.55 0.00 0.00 175.29 174.05 1gqh s LEU 84 N -1.17 1.98 -0.02 3.68 2.96 0.09 -0.81 118.68 125.39 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 -0.20 -1.01 -0.02 0.00 0.50 0.00 0.00 46.19 45.45 1gqh s LEU 84 CO 0.21 0.19 -0.22 0.26 -1.32 0.00 0.00 176.35 175.47 1gqh s TRP 85 N -0.17 2.46 -0.07 5.38 0.51 -0.83 -1.42 118.94 124.80 1gqh s TRP 85 Ca 0.01 -0.34 -0.09 0.00 -2.12 0.00 0.00 56.10 53.56 1gqh s TRP 85 Cb -0.10 -1.53 0.02 0.00 -0.81 0.00 0.00 33.47 31.05 1gqh s TRP 85 CO 0.01 0.07 0.23 0.00 -0.51 0.00 0.00 176.95 176.75 1gqh s ALA 86 N -0.69 -0.58 -0.07 0.98 0.00 0.91 -2.77 121.76 119.54 1gqh s ALA 86 Ca 0.11 0.54 -0.03 0.00 0.00 0.00 0.00 51.96 52.57 1gqh s ALA 86 Cb -0.10 -0.28 0.04 0.00 0.00 0.00 0.00 23.12 22.77 1gqh s ALA 86 CO 0.00 -0.14 0.15 -1.14 0.00 0.00 0.00 175.76 174.64 1gqh s GLN 87 N -0.21 0.11 -0.28 0.00 0.74 0.24 -0.62 119.66 119.63 1gqh s GLN 87 Ca -0.03 0.38 -0.08 0.00 0.05 0.00 0.00 55.36 55.67 1gqh s GLN 87 Cb -0.03 -0.16 -0.01 0.00 1.10 0.00 0.00 33.01 33.91 1gqh s GLN 87 CO 0.01 -0.16 0.10 0.45 -0.55 0.00 0.00 175.29 175.14 1gqh s SER 88 N 1.12 5.26 1.28 6.67 0.15 -1.26 -0.09 113.70 126.82 1gqh s SER 88 Ca -0.09 -0.45 0.00 0.00 0.70 0.00 0.00 55.95 56.12 1gqh s SER 88 Cb -0.11 -1.94 0.00 0.00 -1.71 0.00 0.00 66.02 62.27 1gqh s SER 88 CO -0.06 -0.13 0.00 0.61 1.20 0.00 0.00 173.24 174.86 1gqh n GLY 89 N 4.93 3.58 0.93 9.45 0.00 -1.26 -1.34 105.19 121.48 1gqh n GLY 89 Ca -0.15 0.22 0.08 0.00 0.00 0.00 0.00 46.02 46.17 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 6.47 3.39 -4.77 1.61 0.23 -1.26 -4.98 115.26 115.94 1gqh n ASN 90 Ca 0.00 -2.04 -0.32 0.00 -0.53 0.00 0.00 54.58 51.69 1gqh n ASN 90 Cb 0.00 -0.34 0.06 0.00 -2.08 0.00 0.00 39.78 37.42 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 -1.08 2.59 0.19 -3.83 2.02 -0.45 -4.92 118.70 113.23 1gqh s GLU 91 Ca 0.34 1.27 -0.32 0.00 0.02 0.00 0.00 54.97 56.28 1gqh s GLU 91 Cb 0.18 -1.93 -0.15 0.00 0.10 0.00 0.00 34.13 32.33 1gqh s GLU 91 CO 0.22 -1.39 1.24 2.41 0.02 0.00 0.00 175.26 177.76 1gqh n THR 92 N -2.89 0.89 -2.04 3.63 -1.04 -1.26 -4.60 114.28 106.96 1gqh n THR 92 Ca 0.10 -0.22 -0.42 0.00 -2.04 0.00 0.00 64.05 61.46 1gqh n THR 92 Cb 0.52 -1.03 -0.03 0.00 -1.82 0.00 0.00 70.33 67.97 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 -0.37 4.27 -0.01 -2.82 0.74 -1.26 -4.76 119.66 115.45 1gqh s GLN 93 Ca 0.72 2.24 0.02 0.00 0.05 0.00 0.00 55.36 58.39 1gqh s GLN 93 Cb -0.79 -3.18 -0.03 0.00 1.10 0.00 0.00 33.01 30.11 1gqh s GLN 93 CO 0.51 -0.49 -0.04 -0.65 -0.55 0.00 0.00 175.29 174.07 1gqh s GLN 94 N 0.76 2.69 -0.01 1.67 -1.52 0.21 -4.31 119.66 119.15 1gqh s GLN 94 Ca 0.65 -0.64 -0.03 0.00 -1.95 0.00 0.00 55.36 53.39 1gqh s GLN 94 Cb -0.41 -2.60 -0.00 0.00 -0.22 0.00 0.00 33.01 29.79 1gqh s GLN 94 CO 0.34 0.63 0.07 -0.08 -0.25 0.00 0.00 175.29 175.99 1gqh s THR 95 N -1.00 0.05 0.00 -0.19 -1.32 -0.61 -0.07 115.64 112.51 1gqh s THR 95 Ca 0.17 -0.42 -0.07 0.00 -1.21 0.00 0.00 61.69 60.16 1gqh s THR 95 Cb -0.11 -0.25 0.00 0.00 -1.51 0.00 0.00 72.50 70.63 1gqh s THR 95 CO 0.07 -0.23 0.13 -0.13 -2.21 0.00 0.00 174.62 172.26 1gqh s ARG 96 N -0.73 0.48 -0.37 7.08 1.81 -0.50 -2.49 118.95 124.23 1gqh s ARG 96 Ca -0.08 -0.40 -0.13 0.00 -1.72 0.00 0.00 55.73 53.40 1gqh s ARG 96 Cb -0.05 0.20 0.01 0.00 -0.45 0.00 0.00 34.95 34.66 1gqh s ARG 96 CO 0.00 -0.11 0.24 0.08 -0.68 0.00 0.00 175.30 174.83 1gqh s VAL 97 N -1.38 5.00 0.07 3.52 1.01 -0.31 -0.73 120.40 127.58 1gqh s VAL 97 Ca -0.15 -0.55 -0.20 0.00 0.00 0.00 0.00 61.98 61.08 1gqh s VAL 97 Cb -0.08 -3.69 -0.07 0.00 0.00 0.00 0.00 36.38 32.55 1gqh s VAL 97 CO 0.02 -0.15 0.61 -0.76 0.00 0.00 0.00 175.10 174.81 1gqh s LEU 98 N 1.65 4.51 0.00 3.92 1.02 0.19 -4.92 118.68 125.05 1gqh s LEU 98 Ca 0.04 1.30 0.01 0.00 0.02 0.00 0.00 54.13 55.50 1gqh s LEU 98 Cb -0.18 -2.96 -0.00 0.00 0.02 0.00 0.00 46.19 43.06 1gqh s LEU 98 CO 0.09 0.23 0.02 -1.54 0.02 0.00 0.00 176.35 175.17 1gqh n SER 99 N 1.92 2.01 -4.67 2.29 3.41 -1.26 -1.84 113.62 115.48 1gqh n SER 99 Ca -0.09 -1.85 -0.49 0.00 -0.26 0.00 0.00 58.87 56.19 1gqh n SER 99 Cb 0.50 0.23 -0.05 0.00 -0.26 0.00 0.00 64.21 64.64 1gqh n SER 99 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1gqh n SER 100 N -1.38 2.99 0.00 4.04 2.88 -1.23 -1.24 113.62 119.69 1gqh n SER 100 Ca -0.06 1.04 0.00 0.00 -1.33 0.00 0.00 58.87 58.52 1gqh n SER 100 Cb 0.24 -1.35 0.00 0.00 -0.75 0.00 0.00 64.21 62.35 1gqh n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1gqh n GLY 101 N 3.78 1.10 3.84 0.46 0.00 0.07 -4.77 105.19 109.68 1gqh n GLY 101 Ca 0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.90 1gqh n GLY 101 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1gqh s ASP 102 N -2.92 6.47 -0.01 1.61 1.01 -0.37 -4.00 116.67 118.45 1gqh s ASP 102 Ca 0.00 1.56 0.03 0.00 0.71 0.00 0.00 52.55 54.85 1gqh s ASP 102 Cb 0.00 -2.50 -0.00 0.00 1.01 0.00 0.00 42.92 41.42 1gqh s ASP 102 CO 0.00 -0.70 -0.09 -0.47 0.21 0.00 0.00 175.17 174.12 1gqh s TYR 103 N -2.72 0.87 -0.09 4.23 5.04 -0.07 -1.72 117.35 122.89 1gqh s TYR 103 Ca 0.59 -0.18 0.03 0.00 -2.44 0.00 0.00 57.07 55.06 1gqh s TYR 103 Cb -0.11 -0.58 0.01 0.00 0.35 0.00 0.00 41.96 41.63 1gqh s TYR 103 CO 0.36 -0.04 -0.17 0.20 -1.34 0.00 0.00 175.55 174.56 1gqh s GLY 104 N -0.09 1.04 -0.20 8.97 0.00 0.14 -1.08 107.32 116.10 1gqh s GLY 104 Ca 0.02 -0.68 -0.05 0.00 0.00 0.00 0.00 44.72 44.01 1gqh s GLY 104 CO -0.00 -0.03 -0.01 -0.45 0.00 0.00 0.00 173.10 172.60 1gqh s SER 105 N 0.60 4.75 -0.50 1.64 0.15 0.53 -0.21 113.70 120.66 1gqh s SER 105 Ca -0.15 -0.22 0.03 0.00 0.70 0.00 0.00 55.95 56.32 1gqh s SER 105 Cb -0.16 -1.81 0.15 0.00 -1.71 0.00 0.00 66.02 62.49 1gqh s SER 105 CO 0.05 0.07 0.33 -0.69 1.20 0.00 0.00 173.24 174.20 1gqh s VAL 106 N 0.97 1.55 1.15 4.45 1.01 0.76 -2.51 120.40 127.78 1gqh s VAL 106 Ca 0.01 -3.03 -0.13 0.00 0.00 0.00 0.00 61.98 58.83 1gqh s VAL 106 Cb -0.14 -2.06 0.28 0.00 0.00 0.00 0.00 36.38 34.46 1gqh s VAL 106 CO 0.02 -1.00 1.03 -2.84 0.00 0.00 0.00 175.10 172.30 1gqh s PRO 107 N -0.19 -0.85 0.89 2.72 0.02 -1.26 -1.23 135.00 135.10 1gqh s PRO 107 Ca 0.23 0.83 -0.12 0.00 0.02 0.00 0.00 61.00 61.96 1gqh s PRO 107 Cb -0.12 -1.56 0.08 0.00 0.02 0.00 0.00 34.50 32.91 1gqh s PRO 107 CO -0.09 -3.67 0.83 0.54 -0.33 0.00 0.00 177.00 174.27 1gqh n ARG 108 N -4.88 -0.19 -3.24 5.54 1.74 -1.25 -2.98 116.66 111.39 1gqh n ARG 108 Ca 0.03 0.00 -0.23 0.00 -0.77 0.00 0.00 57.85 56.89 1gqh n ARG 108 Cb 0.54 -2.15 0.01 0.00 -1.02 0.00 0.00 32.46 29.84 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 -2.58 -4.30 -4.15 0.55 3.02 0.02 -4.84 115.26 102.98 1gqh n ASN 109 Ca 0.10 -0.34 -0.33 0.00 -0.03 0.00 0.00 54.58 53.98 1gqh n ASN 109 Cb 0.52 -3.54 -0.15 0.00 -0.61 0.00 0.00 39.78 36.00 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 -2.98 2.39 0.29 2.41 1.01 -1.16 -4.49 120.40 117.87 1gqh s VAL 110 Ca 0.36 -0.97 -0.29 0.00 0.00 0.00 0.00 61.98 61.08 1gqh s VAL 110 Cb -0.18 -2.10 -0.10 0.00 0.00 0.00 0.00 36.38 34.00 1gqh s VAL 110 CO 0.44 0.41 1.40 -0.89 0.00 0.00 0.00 175.10 176.46 1gqh s THR 111 N 1.30 2.61 0.13 3.92 2.01 0.88 -4.62 115.64 121.86 1gqh s THR 111 Ca 0.03 0.55 -0.23 0.00 0.31 0.00 0.00 61.69 62.35 1gqh s THR 111 Cb -0.15 -3.35 0.06 0.00 0.01 0.00 0.00 72.50 69.08 1gqh s THR 111 CO -0.09 0.11 0.58 -1.38 -0.69 0.00 0.00 174.62 173.14 1gqh s HIS 112 N -0.48 -0.51 0.34 4.92 -3.43 -0.91 -0.59 115.29 114.63 1gqh s HIS 112 Ca 0.55 0.37 -0.15 0.00 -0.80 0.00 0.00 55.06 55.04 1gqh s HIS 112 Cb -0.42 0.50 0.03 0.00 -1.43 0.00 0.00 32.58 31.26 1gqh s HIS 112 CO 0.48 -0.79 0.69 -0.08 -2.00 0.00 0.00 174.74 173.04 1gqh s THR 113 N -3.40 0.00 0.19 -5.38 -1.32 -1.11 -2.61 115.64 101.99 1gqh s THR 113 Ca -0.00 -1.14 -0.06 0.00 -1.21 0.00 0.00 61.69 59.28 1gqh s THR 113 Cb -0.01 -2.54 -0.02 0.00 -1.51 0.00 0.00 72.50 68.43 1gqh s THR 113 CO -0.10 0.00 0.24 0.72 -2.21 0.00 0.00 174.62 173.27 1gqh s PHE 114 N -3.04 0.71 -0.12 9.09 -0.71 -1.26 -1.97 117.98 120.67 1gqh s PHE 114 Ca 0.17 -1.03 -0.06 0.00 -1.04 0.00 0.00 56.93 54.98 1gqh s PHE 114 Cb -0.04 -0.24 0.05 0.00 -1.21 0.00 0.00 43.02 41.59 1gqh s PHE 114 CO 0.11 -0.71 0.29 -1.14 -1.34 0.00 0.00 175.22 172.42 1gqh s GLN 115 N -4.05 0.24 -0.01 1.99 0.74 0.01 -1.10 119.66 117.48 1gqh s GLN 115 Ca 0.26 0.63 -0.30 0.00 0.05 0.00 0.00 55.36 56.00 1gqh s GLN 115 Cb 0.04 -0.07 -0.05 0.00 1.10 0.00 0.00 33.01 34.03 1gqh s GLN 115 CO 0.06 -0.19 1.27 0.42 -0.55 0.00 0.00 175.29 176.30 1gqh s ILE 116 N 1.53 3.99 -0.22 -2.34 -1.09 -1.26 -0.78 121.20 121.03 1gqh s ILE 116 Ca -0.07 1.37 -0.15 0.00 -2.23 0.00 0.00 60.65 59.57 1gqh s ILE 116 Cb -0.10 -3.88 -0.09 0.00 -1.58 0.00 0.00 42.46 36.81 1gqh s ILE 116 CO -0.10 0.03 -0.34 1.67 -1.23 0.00 0.00 174.94 174.97 1gqh n GLN 117 N 4.93 0.53 -3.49 2.79 7.27 -0.14 -2.11 117.38 127.16 1gqh n GLN 117 Ca 0.11 0.22 -0.31 0.00 0.07 0.00 0.00 57.00 57.09 1gqh n GLN 117 Cb 0.45 -1.41 -0.05 0.00 2.41 0.00 0.00 30.24 31.64 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 -6.69 6.55 0.24 1.69 1.01 -1.06 -4.36 116.67 114.05 1gqh s ASP 118 Ca -0.32 0.77 -0.05 0.00 0.71 0.00 0.00 52.55 53.66 1gqh s ASP 118 Cb 0.09 -2.16 0.43 0.00 1.01 0.00 0.00 42.92 42.29 1gqh s ASP 118 CO 0.44 -0.05 1.75 -0.65 0.21 0.00 0.00 175.17 176.86 1gqh h PRO 119 N 2.48 0.50 -2.43 8.23 0.11 -1.89 -3.04 132.00 135.96 1gqh h PRO 119 Ca -0.47 -0.03 -0.74 0.00 0.11 0.00 0.00 66.00 64.88 1gqh h PRO 119 Cb 1.17 -0.11 -0.32 0.00 0.11 0.00 0.00 31.00 31.84 1gqh h PRO 119 CO 0.70 0.33 0.41 -3.47 -0.21 0.00 0.00 178.00 175.76 1gqh n ASP 120 N -4.94 6.04 -4.80 -2.05 2.03 -1.26 -3.98 116.55 107.59 1gqh n ASP 120 Ca 0.14 -3.58 -0.38 0.00 0.52 0.00 0.00 54.79 51.49 1gqh n ASP 120 Cb 0.37 -1.01 -0.06 0.00 -0.72 0.00 0.00 41.12 39.71 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 -3.70 5.11 -0.05 5.18 2.01 -1.15 -3.17 115.64 119.87 1gqh s THR 121 Ca 0.39 0.81 -0.00 0.00 0.31 0.00 0.00 61.69 63.20 1gqh s THR 121 Cb 0.16 -3.72 0.03 0.00 0.01 0.00 0.00 72.50 68.98 1gqh s THR 121 CO -0.05 0.50 -0.01 -0.70 -0.69 0.00 0.00 174.62 173.67 1gqh s GLU 122 N -0.50 0.52 -0.15 4.92 2.12 0.21 -2.37 118.70 123.46 1gqh s GLU 122 Ca 0.23 0.06 -0.02 0.00 0.36 0.00 0.00 54.97 55.60 1gqh s GLU 122 Cb -0.16 -0.75 -0.02 0.00 0.26 0.00 0.00 34.13 33.47 1gqh s GLU 122 CO 0.11 -0.19 -0.08 -1.64 -0.54 0.00 0.00 175.26 172.92 1gqh s MET 123 N 1.39 3.51 -0.26 4.30 -1.94 -0.59 -0.06 119.30 125.64 1gqh s MET 123 Ca -0.04 -0.61 -0.10 0.00 -1.71 0.00 0.00 55.69 53.23 1gqh s MET 123 Cb -0.13 -2.78 -0.04 0.00 2.01 0.00 0.00 34.83 33.89 1gqh s MET 123 CO -0.02 0.20 0.15 0.99 -0.01 0.00 0.00 175.02 176.33 1gqh s THR 124 N 0.42 5.07 -0.12 2.05 2.01 0.27 -0.99 115.64 124.34 1gqh s THR 124 Ca -0.07 0.08 -0.03 0.00 0.31 0.00 0.00 61.69 61.98 1gqh s THR 124 Cb -0.15 -3.39 -0.03 0.00 0.01 0.00 0.00 72.50 68.94 1gqh s THR 124 CO 0.04 0.30 0.01 -0.83 -0.69 0.00 0.00 174.62 173.45 1gqh s GLY 125 N 1.48 1.83 -0.19 4.40 0.00 0.44 -1.01 107.32 114.28 1gqh s GLY 125 Ca 0.07 -0.79 0.00 0.00 0.00 0.00 0.00 44.72 44.00 1gqh s GLY 125 CO 0.07 -0.32 -0.09 0.14 0.00 0.00 0.00 173.10 172.90 1gqh s VAL 126 N -0.33 1.51 -0.08 1.40 1.01 -0.93 -0.81 120.40 122.18 1gqh s VAL 126 Ca 0.07 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.21 1gqh s VAL 126 Cb -0.12 -1.59 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 1gqh s VAL 126 CO 0.02 0.18 -0.22 -0.63 0.00 0.00 0.00 175.10 174.46 1gqh s ILE 127 N 1.46 2.32 -0.08 2.22 1.09 -0.79 -1.26 121.20 126.16 1gqh s ILE 127 Ca -0.00 -0.96 0.03 0.00 -1.10 0.00 0.00 60.65 58.62 1gqh s ILE 127 Cb -0.16 -1.88 0.01 0.00 -1.06 0.00 0.00 42.46 39.37 1gqh s ILE 127 CO -0.08 0.56 -0.15 -0.69 -0.10 0.00 0.00 174.94 174.48 1gqh s VAL 128 N -0.04 1.41 0.92 2.92 1.01 -0.77 -0.94 120.40 124.91 1gqh s VAL 128 Ca -0.06 -0.63 -0.15 0.00 0.00 0.00 0.00 61.98 61.14 1gqh s VAL 128 Cb -0.15 -1.27 0.21 0.00 0.00 0.00 0.00 36.38 35.18 1gqh s VAL 128 CO 0.05 0.42 1.25 -0.81 0.00 0.00 0.00 175.10 176.00 1gqh n PRO 129 N 3.84 -1.18 -1.64 2.72 -0.04 -1.26 -0.72 135.00 136.71 1gqh n PRO 129 Ca -0.21 -1.98 -0.31 0.00 -0.04 0.00 0.00 63.50 60.96 1gqh n PRO 129 Cb 0.52 -1.27 0.04 0.00 -0.04 0.00 0.00 33.50 32.75 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 -5.72 1.67 0.00 0.55 0.00 -0.32 -4.31 107.32 99.19 1gqh s GLY 130 Ca 0.71 0.05 0.00 0.00 0.00 0.00 0.00 44.72 45.48 1gqh s GLY 130 CO 0.50 0.35 0.00 0.61 0.00 0.00 0.00 173.10 174.55 1gqh n GLY 131 N -2.16 0.83 0.33 0.20 0.00 -1.26 -4.71 105.19 98.41 1gqh n GLY 131 Ca 0.07 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.93 -2.61 116.94 117.58 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 0.03 1.05 -2.23 0.00 0.00 178.31 177.16 1gqh h GLU 133 N 0.00 0.00 -0.94 1.11 9.09 -1.95 -2.27 114.58 119.63 1gqh h GLU 133 Ca 0.01 0.00 0.23 0.00 0.05 0.00 0.00 59.36 59.65 1gqh h GLU 133 Cb 0.14 0.00 -0.07 0.00 -1.65 0.00 0.00 28.75 27.17 1gqh h GLU 133 CO -0.00 0.00 0.63 -0.44 0.05 0.00 0.00 179.01 179.25 1gqh h ASP 134 N 0.00 0.37 -0.49 3.06 5.19 -1.90 -0.07 116.42 122.59 1gqh h ASP 134 Ca 0.00 0.05 0.07 0.00 -0.62 0.00 0.00 57.03 56.53 1gqh h ASP 134 Cb 0.06 -0.02 -0.06 0.00 0.18 0.00 0.00 39.33 39.49 1gqh h ASP 134 CO 0.00 0.13 0.14 0.25 -3.12 0.00 0.00 179.24 176.64 1gqh h LEU 135 N 0.36 0.09 -0.76 1.55 5.85 -1.68 -2.58 115.31 118.14 1gqh h LEU 135 Ca 0.50 0.07 -0.08 0.00 0.84 0.00 0.00 57.88 59.21 1gqh h LEU 135 Cb 1.32 0.08 -0.01 0.00 0.37 0.00 0.00 40.66 42.42 1gqh h LEU 135 CO -0.18 0.08 -0.39 -0.26 -0.34 0.00 0.00 178.44 177.35 1gqh h PHE 136 N 0.29 0.00 -0.58 1.25 0.04 -1.23 0.11 116.94 116.83 1gqh h PHE 136 Ca 0.24 0.00 -0.07 0.00 2.80 0.00 0.00 57.97 60.94 1gqh h PHE 136 Cb 0.29 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.41 1gqh h PHE 136 CO -0.19 0.39 0.09 1.88 -0.60 0.00 0.00 178.31 179.88 1gqh h TYR 137 N 0.00 0.97 0.09 -0.55 0.05 -1.07 0.63 116.97 117.09 1gqh h TYR 137 Ca -0.00 -0.12 -0.00 0.00 0.05 0.00 0.00 58.73 58.65 1gqh h TYR 137 Cb 0.98 -0.27 0.00 0.00 1.01 0.00 0.00 36.73 38.45 1gqh h TYR 137 CO 0.00 0.84 -0.04 -0.92 -1.05 0.00 0.00 178.16 176.98 1gqh h TYR 138 N 0.88 -0.11 -0.38 4.88 3.20 -1.12 -3.36 116.97 120.96 1gqh h TYR 138 Ca 0.18 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.94 1gqh h TYR 138 Cb 0.39 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 1gqh h TYR 138 CO 0.02 0.43 -0.19 -0.07 -1.64 0.00 0.00 178.16 176.71 1gqh h LEU 139 N -0.86 0.72-10.46 2.82 3.38 -0.69 -3.46 115.31 106.77 1gqh h LEU 139 Ca -0.01 -0.24 -0.46 0.00 0.09 0.00 0.00 57.88 57.25 1gqh h LEU 139 Cb 0.59 -0.20 0.05 0.00 0.09 0.00 0.00 40.66 41.19 1gqh h LEU 139 CO 0.02 0.91 0.11 -0.83 0.09 0.00 0.00 178.44 178.74 1gqh s GLY 140 N -3.86 1.65 -0.15 0.83 0.00 0.22 -4.83 107.32 101.18 1gqh s GLY 140 Ca -0.09 -0.90 -0.03 0.00 0.00 0.00 0.00 44.72 43.70 1gqh s GLY 140 CO 0.82 -0.61 -0.03 -1.59 0.00 0.00 0.00 173.10 171.69 1gqh s THR 141 N -2.93 3.93 0.22 0.90 2.01 0.10 -4.84 115.64 115.02 1gqh s THR 141 Ca 0.55 -0.35 -0.32 0.00 0.31 0.00 0.00 61.69 61.88 1gqh s THR 141 Cb -0.10 -2.71 -0.14 0.00 0.01 0.00 0.00 72.50 69.55 1gqh s THR 141 CO 0.43 0.50 1.35 0.59 -0.69 0.00 0.00 174.62 176.80 1gqh n ASN 142 N 3.39 2.39 -4.16 3.53 3.02 -1.26 -1.21 115.26 120.95 1gqh n ASN 142 Ca -0.17 1.14 -0.31 0.00 -0.03 0.00 0.00 54.58 55.20 1gqh n ASN 142 Cb 0.53 -1.37 -0.17 0.00 -0.61 0.00 0.00 39.78 38.16 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 -0.04 2.06 0.06 5.41 0.00 -0.49 -4.84 121.76 123.93 1gqh s ALA 143 Ca 0.70 -0.93 -0.14 0.00 0.00 0.00 0.00 51.96 51.59 1gqh s ALA 143 Cb -0.71 -0.85 -0.28 0.00 0.00 0.00 0.00 23.12 21.28 1gqh s ALA 143 CO 0.50 0.12 1.12 1.15 0.00 0.00 0.00 175.76 178.64 1gqh h THR 144 N 5.80 1.29 -6.85 0.00 2.02 -1.93 -3.41 112.91 109.83 1gqh h THR 144 Ca -0.26 -2.47 -0.44 0.00 0.77 0.00 0.00 66.41 64.01 1gqh h THR 144 Cb 1.21 2.67 -0.01 0.00 -1.74 0.00 0.00 68.15 70.28 1gqh h THR 144 CO 0.50 0.75 -0.81 -0.67 0.37 0.00 0.00 175.52 175.66 1gqh n ASP 145 N -3.78 -3.32 -0.33 4.18 -0.08 -1.26 -4.82 116.55 107.13 1gqh n ASP 145 Ca -0.13 -0.93 0.12 0.00 -1.51 0.00 0.00 54.79 52.34 1gqh n ASP 145 Cb 0.98 -1.22 0.30 0.00 2.34 0.00 0.00 41.12 43.52 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 -0.91 0.67 -0.01 5.18 2.02 -1.98 0.40 112.91 118.28 1gqh h THR 146 Ca -0.54 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.41 1gqh h THR 146 Cb 1.08 -0.07 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 1gqh h THR 146 CO 0.36 0.12 -0.13 0.35 0.37 0.00 0.00 175.52 176.60 1gqh n THR 147 N -4.83 0.00 -2.01 3.16 -2.24 -1.26 -4.92 114.28 102.17 1gqh n THR 147 Ca 0.22 -0.12 -0.15 0.00 -2.27 0.00 0.00 64.05 61.73 1gqh n THR 147 Cb 0.57 0.17 -0.03 0.00 -2.10 0.00 0.00 70.33 68.94 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 -0.62 -0.48 -1.80 4.78 8.25 0.13 -4.95 115.22 120.53 1gqh n HIS 148 Ca 0.15 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.22 1gqh n HIS 148 Cb 0.31 -2.97 0.02 0.00 1.12 0.00 0.00 29.99 28.47 1gqh n HIS 148 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1gqh s THR 149 N -2.68 2.07 0.26 1.59 -1.32 -1.26 -4.88 115.64 109.42 1gqh s THR 149 Ca 0.00 0.06 -0.01 0.00 -1.21 0.00 0.00 61.69 60.53 1gqh s THR 149 Cb 0.00 -3.04 0.24 0.00 -1.51 0.00 0.00 72.50 68.19 1gqh s THR 149 CO 0.00 0.01 1.76 -0.65 -2.21 0.00 0.00 174.62 173.53 1gqh h PRO 150 N 2.15 0.59 -3.29 7.08 0.11 -1.95 -3.44 132.00 133.25 1gqh h PRO 150 Ca -0.51 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.51 1gqh h PRO 150 Cb 1.27 -0.13 -0.14 0.00 0.11 0.00 0.00 31.00 32.11 1gqh h PRO 150 CO 0.60 0.39 -0.07 1.52 -0.21 0.00 0.00 178.00 180.23 1gqh s TYR 151 N -5.98 -0.23 -0.09 0.65 -0.85 -1.26 -4.64 117.35 104.95 1gqh s TYR 151 Ca -0.12 -0.01 -0.30 0.00 -0.52 0.00 0.00 57.07 56.12 1gqh s TYR 151 Cb 0.22 0.26 -0.03 0.00 0.38 0.00 0.00 41.96 42.78 1gqh s TYR 151 CO 0.78 -0.67 1.24 0.42 -1.52 0.00 0.00 175.55 175.80 1gqh s ILE 152 N -3.46 4.21 -0.78 -3.49 -1.09 -1.26 -5.09 121.20 110.24 1gqh s ILE 152 Ca 0.01 1.52 -0.07 0.00 -2.23 0.00 0.00 60.65 59.88 1gqh s ILE 152 Cb 0.01 -3.98 -0.13 0.00 -1.58 0.00 0.00 42.46 36.78 1gqh s ILE 152 CO -0.10 -0.05 2.78 -2.65 -1.23 0.00 0.00 174.94 173.69 1gqh n PRO 153 N 5.69 2.43 0.00 2.79 -0.02 -1.26 -5.01 135.00 139.62 1gqh n PRO 153 Ca 0.12 -1.44 0.00 0.00 -2.02 0.00 0.00 63.50 60.16 1gqh n PRO 153 Cb 0.45 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 1gqh n PRO 153 CO 0.00 0.00 0.00 -2.37 1.98 0.00 0.00 175.50 175.11 1gqh n THR 168 N 3.33 0.00 0.00 3.45 5.66 -1.26 -5.15 114.28 120.31 1gqh n THR 168 Ca 0.52 0.00 -0.11 0.00 -3.05 0.00 0.00 64.05 61.41 1gqh n THR 168 Cb 0.42 0.00 -0.14 0.00 -1.55 0.00 0.00 70.33 69.06 1gqh n THR 168 CO 0.00 0.00 0.00 -0.29 -3.05 0.00 0.00 175.07 171.73 1gqh h ILE 169 N 0.00 0.97 -0.10 1.09 -0.00 -1.98 -2.57 117.51 114.93 1gqh h ILE 169 Ca 0.00 -2.77 -0.21 0.00 -0.00 0.00 0.00 64.86 61.88 1gqh h ILE 169 Cb 0.00 2.52 0.01 0.00 -0.00 0.00 0.00 36.82 39.36 1gqh h ILE 169 CO 0.00 0.63 -0.76 -1.28 -0.00 0.00 0.00 178.15 176.75 1gqh h SER 170 N 0.02 0.85 0.23 2.19 0.87 -1.98 -1.61 113.55 114.10 1gqh h SER 170 Ca -0.26 -0.66 -0.17 0.00 -1.23 0.00 0.00 61.79 59.47 1gqh h SER 170 Cb 1.98 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 63.68 1gqh h SER 170 CO 0.10 1.38 -0.66 0.71 -0.53 0.00 0.00 176.83 177.83 1gqh h THR 171 N 0.38 1.37 -0.22 2.23 1.35 -1.98 -2.42 112.91 113.62 1gqh h THR 171 Ca -0.07 -2.02 -0.19 0.00 -0.55 0.00 0.00 66.41 63.58 1gqh h THR 171 Cb 1.40 2.01 0.00 0.00 -1.73 0.00 0.00 68.15 69.83 1gqh h THR 171 CO 0.15 0.61 -0.61 -0.07 -0.25 0.00 0.00 175.52 175.36 1gqh h LEU 172 N 0.29 0.91 -1.15 3.87 3.38 -1.47 -2.61 115.31 118.53 1gqh h LEU 172 Ca -0.02 -0.58 -0.00 0.00 0.09 0.00 0.00 57.88 57.38 1gqh h LEU 172 Cb 1.21 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 41.65 1gqh h LEU 172 CO 0.11 1.33 0.49 1.56 0.09 0.00 0.00 178.44 182.02 1gqh h GLN 173 N 0.54 1.07 0.00 1.13 4.20 -1.03 0.87 115.11 121.90 1gqh h GLN 173 Ca -0.01 -0.09 -0.03 0.00 0.06 0.00 0.00 58.65 58.58 1gqh h GLN 173 Cb 1.23 -0.23 -0.00 0.00 0.30 0.00 0.00 27.48 28.77 1gqh h GLN 173 CO 0.13 0.74 -0.15 0.77 -0.67 0.00 0.00 178.83 179.65 1gqh h SER 174 N 1.09 0.00 -0.38 1.46 0.02 -1.22 0.15 113.55 114.67 1gqh h SER 174 Ca 0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.24 1gqh h SER 174 Cb -0.06 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.48 1gqh h SER 174 CO -0.06 0.15 0.00 0.49 -1.14 0.00 0.00 176.83 176.27 1gqh n PHE 175 N -3.84 0.72 -3.24 3.45 3.72 -0.27 -4.91 117.46 113.09 1gqh n PHE 175 Ca -0.02 -0.31 -0.16 0.00 -0.05 0.00 0.00 57.45 56.91 1gqh n PHE 175 Cb 0.25 -0.10 0.05 0.00 -0.94 0.00 0.00 39.48 38.74 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 0.59 -4.95 -3.94 4.37 2.03 0.54 -4.93 116.55 110.26 1gqh n ASP 176 Ca 0.14 -0.36 -0.30 0.00 0.52 0.00 0.00 54.79 54.78 1gqh n ASP 176 Cb 0.47 -3.55 -0.15 0.00 -0.72 0.00 0.00 41.12 37.17 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 -3.21 1.63 -0.44 5.18 1.01 0.14 -4.22 120.40 120.49 1gqh s VAL 177 Ca 0.39 -1.47 -0.07 0.00 0.00 0.00 0.00 61.98 60.83 1gqh s VAL 177 Cb -0.17 -1.97 0.11 0.00 0.00 0.00 0.00 36.38 34.34 1gqh s VAL 177 CO 0.49 -0.25 0.28 -0.31 0.00 0.00 0.00 175.10 175.31 1gqh s TYR 178 N 1.31 3.46 0.67 5.22 1.51 0.03 -2.59 117.35 126.95 1gqh s TYR 178 Ca -0.01 -1.98 -0.17 0.00 -1.01 0.00 0.00 57.07 53.89 1gqh s TYR 178 Cb -0.19 -3.30 -0.01 0.00 -0.11 0.00 0.00 41.96 38.35 1gqh s TYR 178 CO -0.09 -0.96 1.03 0.00 -1.11 0.00 0.00 175.55 174.42 1gqh n ALA 179 N 4.81 0.17 -3.57 3.71 0.00 -1.26 -0.43 120.51 123.93 1gqh n ALA 179 Ca -0.07 -0.09 -0.27 0.00 0.00 0.00 0.00 53.44 53.01 1gqh n ALA 179 Cb 0.41 -2.16 -0.10 0.00 0.00 0.00 0.00 19.45 17.60 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 -1.64 1.15 0.24 0.00 -0.58 -0.49 -4.78 120.64 114.54 1gqh n GLU 180 Ca 0.14 -3.86 0.11 0.00 -0.42 0.00 0.00 57.16 53.13 1gqh n GLU 180 Cb 0.49 -1.92 0.72 0.00 -0.57 0.00 0.00 31.44 30.15 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 5.18 0.00 -0.19 -4.62 3.38 -1.94 -2.22 115.31 114.91 1gqh h LEU 181 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1gqh h LEU 181 Cb 0.82 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1gqh h LEU 181 CO 0.57 0.00 -0.12 -1.54 0.09 0.00 0.00 178.44 177.44 1gqh n SER 182 N -4.31 0.41 -4.73 -0.43 3.41 -1.26 -4.88 113.62 101.82 1gqh n SER 182 Ca -0.02 -0.45 -0.42 0.00 -0.26 0.00 0.00 58.87 57.73 1gqh n SER 182 Cb 0.15 -0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 63.97 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 -2.55 3.10 -0.29 7.33 5.36 -0.84 -4.99 117.98 125.10 1gqh s PHE 183 Ca 0.27 0.94 0.03 0.00 -0.96 0.00 0.00 56.93 57.20 1gqh s PHE 183 Cb 0.20 -3.80 0.08 0.00 -0.34 0.00 0.00 43.02 39.16 1gqh s PHE 183 CO 0.49 -2.71 -0.02 0.99 -1.46 0.00 0.00 175.22 172.51 1gqh s THR 184 N 0.47 2.02 0.17 0.12 2.01 -1.26 -4.98 115.64 114.19 1gqh s THR 184 Ca 0.63 -1.86 -0.34 0.00 0.31 0.00 0.00 61.69 60.43 1gqh s THR 184 Cb -0.41 -2.33 -0.14 0.00 0.01 0.00 0.00 72.50 69.63 1gqh s THR 184 CO 0.37 -0.33 1.53 -2.65 -0.69 0.00 0.00 174.62 172.85 1gqh n PRO 185 N 4.42 2.05 -1.86 4.92 -0.02 -1.26 -4.89 135.00 138.36 1gqh n PRO 185 Ca -0.05 0.74 -0.36 0.00 -2.02 0.00 0.00 63.50 61.81 1gqh n PRO 185 Cb 0.42 -2.48 0.05 0.00 -0.02 0.00 0.00 33.50 31.47 1gqh n PRO 185 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1gqh s ARG 186 N 0.69 2.76 -0.19 -0.52 1.70 -1.26 -4.96 118.95 117.16 1gqh s ARG 186 Ca 0.78 1.81 0.13 0.00 -0.47 0.00 0.00 55.73 57.98 1gqh s ARG 186 Cb -0.70 -1.90 0.42 0.00 -0.57 0.00 0.00 34.95 32.20 1gqh s ARG 186 CO 0.40 -1.37 1.21 0.25 -1.08 0.00 0.00 175.30 174.71 1gqh n THR 187 N -1.89 1.93 -1.56 4.99 -2.24 -1.26 -4.68 114.28 109.57 1gqh n THR 187 Ca 0.14 -3.00 0.06 0.00 -2.27 0.00 0.00 64.05 58.98 1gqh n THR 187 Cb 0.50 -0.11 0.20 0.00 -2.10 0.00 0.00 70.33 68.83 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 1.78 -4.75 3.42 5.75 -1.26 -5.05 116.55 115.55 1gqh n ASP 188 Ca 0.18 -3.85 -0.41 0.00 -0.01 0.00 0.00 54.79 50.70 1gqh n ASP 188 Cb 0.76 -0.53 -0.02 0.00 -1.03 0.00 0.00 41.12 40.31 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 -3.22 2.08 -0.05 2.12 2.01 -1.26 -4.76 115.64 112.57 1gqh s THR 189 Ca 0.38 0.07 -0.03 0.00 0.31 0.00 0.00 61.69 62.42 1gqh s THR 189 Cb 0.37 -3.04 0.02 0.00 0.01 0.00 0.00 72.50 69.85 1gqh s THR 189 CO -0.06 0.01 0.11 -0.69 -0.69 0.00 0.00 174.62 173.30 1gqh s VAL 190 N -0.00 -0.02 -1.14 3.82 1.01 -0.21 -4.82 120.40 119.04 1gqh s VAL 190 Ca 0.63 0.07 -0.05 0.00 0.00 0.00 0.00 61.98 62.63 1gqh s VAL 190 Cb -0.48 -0.17 0.04 0.00 0.00 0.00 0.00 36.38 35.77 1gqh s VAL 190 CO 0.48 0.03 0.29 0.59 0.00 0.00 0.00 175.10 176.49 1gqh n ASN 191 N 3.47 -3.70 -0.45 3.32 3.02 -1.26 -1.41 115.26 118.24 1gqh n ASN 191 Ca -0.18 -0.13 -0.05 0.00 -0.03 0.00 0.00 54.58 54.20 1gqh n ASN 191 Cb 0.56 -3.10 -0.01 0.00 -0.61 0.00 0.00 39.78 36.62 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 -1.01 0.44 3.42 7.41 0.00 -1.26 -4.97 105.19 109.22 1gqh n GLY 192 Ca -0.06 -0.77 -0.13 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.21 0.01 -0.12 2.61 -1.32 -0.50 -1.17 115.64 112.94 1gqh s THR 193 Ca 0.00 -0.06 -0.30 0.00 -1.21 0.00 0.00 61.69 60.11 1gqh s THR 193 Cb 0.00 -1.01 0.11 0.00 -1.51 0.00 0.00 72.50 70.09 1gqh s THR 193 CO 0.00 -0.04 0.93 0.00 -2.21 0.00 0.00 174.62 173.30 1gqh s ALA 194 N -3.43 -1.89 1.06 11.08 0.00 -1.04 -1.04 121.76 126.50 1gqh s ALA 194 Ca -0.00 1.47 -0.05 0.00 0.00 0.00 0.00 51.96 53.38 1gqh s ALA 194 Cb -0.01 -0.45 0.07 0.00 0.00 0.00 0.00 23.12 22.73 1gqh s ALA 194 CO -0.10 -0.36 0.24 -0.35 0.00 0.00 0.00 175.76 175.18 1gqh n PRO 195 N 0.65 -1.59 -0.15 0.00 -0.04 -1.26 -1.57 135.00 131.04 1gqh n PRO 195 Ca -0.12 -0.38 -0.10 0.00 -0.04 0.00 0.00 63.50 62.86 1gqh n PRO 195 Cb 0.58 -0.37 -0.01 0.00 -0.04 0.00 0.00 33.50 33.67 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 -2.18 0.57 0.00 0.55 0.00 -1.92 -3.26 119.26 113.02 1gqh h ALA 196 Ca -0.09 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.38 1gqh h ALA 196 Cb 0.28 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1gqh h ALA 196 CO 0.06 0.31 0.29 0.27 0.00 0.00 0.00 179.25 180.18 1gqh n ASN 197 N -4.47 4.52 -4.39 0.00 6.94 -1.26 -4.83 115.26 111.77 1gqh n ASN 197 Ca -0.00 -2.30 -0.20 0.00 -0.02 0.00 0.00 54.58 52.06 1gqh n ASN 197 Cb 0.26 -1.15 -0.10 0.00 -2.36 0.00 0.00 39.78 36.43 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 1.62 1.88 -0.24 5.53 -4.23 -1.23 -5.13 115.64 113.83 1gqh s THR 198 Ca 0.53 -2.23 -0.01 0.00 -1.18 0.00 0.00 61.69 58.80 1gqh s THR 198 Cb 0.24 -2.20 0.03 0.00 1.34 0.00 0.00 72.50 71.90 1gqh s THR 198 CO -0.01 -0.48 -0.08 -0.69 -0.54 0.00 0.00 174.62 172.82 1gqh s VAL 199 N -2.88 2.73 -0.28 2.29 1.01 -1.26 -5.05 120.40 116.97 1gqh s VAL 199 Ca 0.26 -1.03 -0.02 0.00 0.00 0.00 0.00 61.98 61.19 1gqh s VAL 199 Cb -0.01 -2.36 0.11 0.00 0.00 0.00 0.00 36.38 34.12 1gqh s VAL 199 CO 0.10 0.24 0.21 0.86 0.00 0.00 0.00 175.10 176.51 1gqh s TRP 200 N 1.31 -0.10 -0.68 5.22 -0.00 -1.26 -4.84 118.94 118.59 1gqh s TRP 200 Ca 0.01 -0.44 0.00 0.00 -0.00 0.00 0.00 56.10 55.67 1gqh s TRP 200 Cb -0.16 -0.64 0.00 0.00 -0.00 0.00 0.00 33.47 32.66 1gqh s TRP 200 CO -0.06 -0.84 0.00 0.72 -0.00 0.00 0.00 176.95 176.77 1gqh n HIS 201 N 5.29 0.00 -0.53 5.86 8.25 -1.26 -4.83 115.22 128.00 1gqh n HIS 201 Ca -0.04 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.42 1gqh n HIS 201 Cb 0.45 -1.70 0.01 0.00 1.12 0.00 0.00 29.99 29.87 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 -2.56 0.62 0.00 1.59 -2.24 -1.26 -5.10 114.28 105.33 1gqh n THR 202 Ca -0.06 -0.64 0.00 0.00 -2.27 0.00 0.00 64.05 61.08 1gqh n THR 202 Cb 0.34 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 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 -0.33 -0.43 3.78 3.38 0.00 -1.26 -5.10 105.19 105.23 1gqh n GLY 203 Ca 0.01 -1.07 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 1gqh n GLY 203 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gqh s ALA 204 N -2.00 3.57 -0.16 4.61 0.00 -1.26 -4.77 121.76 121.75 1gqh s ALA 204 Ca 0.00 1.59 -0.01 0.00 0.00 0.00 0.00 51.96 53.54 1gqh s ALA 204 Cb 0.00 -3.62 -0.00 0.00 0.00 0.00 0.00 23.12 19.50 1gqh s ALA 204 CO 0.00 -1.08 -0.13 -0.80 0.00 0.00 0.00 175.76 173.75 1gqh s ASN 205 N -0.14 3.82 0.15 0.00 0.02 -0.30 -4.96 114.94 113.54 1gqh s ASN 205 Ca 0.53 -0.43 -0.03 0.00 -1.02 0.00 0.00 52.86 51.91 1gqh s ASN 205 Cb -0.47 -1.60 -0.05 0.00 0.02 0.00 0.00 41.25 39.15 1gqh s ASN 205 CO 0.64 0.08 0.36 0.00 0.02 0.00 0.00 177.10 178.20 1gqh s ALA 206 N 0.84 3.83 0.46 0.60 0.00 -1.26 -4.05 121.76 122.18 1gqh s ALA 206 Ca -0.04 -0.68 -0.24 0.00 0.00 0.00 0.00 51.96 51.00 1gqh s ALA 206 Cb -0.15 -2.05 -0.07 0.00 0.00 0.00 0.00 23.12 20.85 1gqh s ALA 206 CO 0.00 0.61 1.27 -0.51 0.00 0.00 0.00 175.76 177.13 1gqh s LEU 207 N -2.87 4.06 0.25 0.00 1.02 -1.26 -4.82 118.68 115.05 1gqh s LEU 207 Ca 0.39 2.57 -0.30 0.00 0.02 0.00 0.00 54.13 56.82 1gqh s LEU 207 Cb -0.12 -4.10 -0.10 0.00 0.02 0.00 0.00 46.19 41.89 1gqh s LEU 207 CO 0.27 -1.06 1.39 0.00 0.02 0.00 0.00 176.35 176.97 1gqh s ALA 208 N -1.36 3.58 -0.54 4.21 0.00 -1.26 -4.90 121.76 121.49 1gqh s ALA 208 Ca 0.63 1.27 0.23 0.00 0.00 0.00 0.00 51.96 54.09 1gqh s ALA 208 Cb -0.36 -3.53 0.20 0.00 0.00 0.00 0.00 23.12 19.43 1gqh s ALA 208 CO 0.44 -0.68 1.19 -1.13 0.00 0.00 0.00 175.76 175.58 1gqh n SER 209 N 2.13 0.71 -4.63 0.00 3.41 -1.26 -4.72 113.62 109.25 1gqh n SER 209 Ca 0.05 0.09 -0.38 0.00 -0.26 0.00 0.00 58.87 58.37 1gqh n SER 209 Cb 0.41 0.38 -0.09 0.00 -0.26 0.00 0.00 64.21 64.65 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 -3.22 5.25 0.54 6.66 2.01 -1.26 -4.96 115.64 120.65 1gqh s THR 210 Ca 0.04 0.43 -0.21 0.00 0.31 0.00 0.00 61.69 62.26 1gqh s THR 210 Cb 0.13 -3.63 -0.05 0.00 0.01 0.00 0.00 72.50 68.96 1gqh s THR 210 CO 0.76 0.23 1.31 0.00 -0.69 0.00 0.00 174.62 176.23 1gqh s ALA 211 N 1.64 2.80 0.00 7.40 0.00 -1.26 -2.40 121.76 129.94 1gqh s ALA 211 Ca 0.13 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.32 1gqh s ALA 211 Cb -0.15 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.44 1gqh s ALA 211 CO 0.09 -1.25 0.00 0.41 0.00 0.00 0.00 175.76 175.01 1gqh n GLY 212 N 0.67 2.11 3.77 0.00 0.00 -1.26 -5.01 105.19 105.47 1gqh n GLY 212 Ca 0.10 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 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 -3.27 6.93 0.62 1.61 1.11 -1.01 -4.79 116.67 117.89 1gqh s ASP 213 Ca 0.00 1.11 -0.15 0.00 0.18 0.00 0.00 52.55 53.69 1gqh s ASP 213 Cb 0.00 -2.34 -0.02 0.00 1.07 0.00 0.00 42.92 41.63 1gqh s ASP 213 CO 0.00 0.15 1.07 -2.16 1.18 0.00 0.00 175.17 175.41 1gqh s PRO 214 N -0.36 3.15 0.17 8.23 0.04 -1.26 -4.71 135.00 140.27 1gqh s PRO 214 Ca 0.29 1.21 -0.13 0.00 0.04 0.00 0.00 61.00 62.41 1gqh s PRO 214 Cb -0.18 -2.01 0.01 0.00 0.04 0.00 0.00 34.50 32.36 1gqh s PRO 214 CO 0.16 -0.95 0.40 1.52 0.04 0.00 0.00 177.00 178.17 1gqh s TYR 215 N -2.51 0.12 -0.01 0.56 1.13 -1.04 -4.90 117.35 110.70 1gqh s TYR 215 Ca 0.63 -0.48 0.01 0.00 -1.41 0.00 0.00 57.07 55.82 1gqh s TYR 215 Cb -0.17 0.17 0.00 0.00 -1.10 0.00 0.00 41.96 40.86 1gqh s TYR 215 CO 0.40 -0.81 -0.03 -0.06 -2.51 0.00 0.00 175.55 172.55 1gqh s PHE 216 N -3.91 0.32 -0.18 -3.49 0.40 -1.26 -0.35 117.98 109.50 1gqh s PHE 216 Ca 0.12 -0.05 0.00 0.00 -0.60 0.00 0.00 56.93 56.40 1gqh s PHE 216 Cb 0.01 -0.25 0.04 0.00 0.51 0.00 0.00 43.02 43.33 1gqh s PHE 216 CO -0.02 -0.04 -0.07 0.42 0.70 0.00 0.00 175.22 176.21 1gqh s ILE 217 N 0.17 1.35 0.35 0.64 1.01 -0.24 -4.81 121.20 119.66 1gqh s ILE 217 Ca -0.01 -0.82 -0.26 0.00 0.00 0.00 0.00 60.65 59.56 1gqh s ILE 217 Cb -0.04 -1.49 -0.09 0.00 0.01 0.00 0.00 42.46 40.84 1gqh s ILE 217 CO -0.00 0.13 1.05 0.00 0.00 0.00 0.00 174.94 176.11 1gqh s ALA 218 N 1.52 3.19 -0.46 9.38 0.00 -1.26 -0.89 121.76 133.25 1gqh s ALA 218 Ca -0.00 0.74 -0.38 0.00 0.00 0.00 0.00 51.96 52.31 1gqh s ALA 218 Cb -0.16 -3.28 -0.15 0.00 0.00 0.00 0.00 23.12 19.54 1gqh s ALA 218 CO -0.08 -0.15 2.22 -1.71 0.00 0.00 0.00 175.76 176.04 1gqh n ASN 219 N 0.40 1.49 0.00 0.00 5.15 -1.26 -1.08 115.26 119.96 1gqh n ASN 219 Ca 0.03 0.46 0.00 0.00 -0.60 0.00 0.00 54.58 54.47 1gqh n ASN 219 Cb 0.48 -1.11 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 6.88 0.76 0.50 8.20 0.00 -1.26 -4.91 105.19 115.35 1gqh n GLY 220 Ca 0.48 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.57 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 -2.18 0.00 -2.48 1.61 7.02 -0.24 -4.84 117.44 116.32 1gqh n TRP 221 Ca 0.00 0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.29 1gqh n TRP 221 Cb 0.00 0.00 0.10 0.00 -2.42 0.00 0.00 31.31 28.99 1gqh n TRP 221 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1gqh n GLY 222 N 0.89 0.51 3.77 6.99 0.00 -1.26 -1.15 105.19 114.94 1gqh n GLY 222 Ca 0.08 -1.99 -0.36 0.00 0.00 0.00 0.00 46.02 43.74 1gqh n GLY 222 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1gqh s PRO 223 N -4.67 3.52 0.03 1.61 0.02 -1.26 -4.90 135.00 129.36 1gqh s PRO 223 Ca 0.55 1.76 0.00 0.00 0.02 0.00 0.00 61.00 63.33 1gqh s PRO 223 Cb -0.03 -2.23 -0.02 0.00 0.02 0.00 0.00 34.50 32.24 1gqh s PRO 223 CO 0.36 -0.74 -0.04 0.15 -0.33 0.00 0.00 177.00 176.40 1gqh s LYS 224 N -2.95 0.39 -0.03 5.54 1.02 -1.25 -3.74 119.74 118.72 1gqh s LYS 224 Ca 0.68 -0.71 0.03 0.00 0.02 0.00 0.00 55.97 55.99 1gqh s LYS 224 Cb -0.28 0.03 0.00 0.00 -0.52 0.00 0.00 37.83 37.06 1gqh s LYS 224 CO 0.33 -0.03 -0.11 0.71 -0.92 0.00 0.00 175.35 175.33 1gqh s TYR 225 N -1.70 1.10 -0.26 3.18 1.51 0.45 -0.95 117.35 120.68 1gqh s TYR 225 Ca -0.12 -0.27 -0.10 0.00 -1.01 0.00 0.00 57.07 55.56 1gqh s TYR 225 Cb -0.08 -0.76 -0.05 0.00 -0.11 0.00 0.00 41.96 40.96 1gqh s TYR 225 CO -0.02 -0.10 0.15 -1.17 -1.11 0.00 0.00 175.55 173.31 1gqh s LEU 226 N 0.09 3.92 -0.17 -1.29 2.96 0.39 -0.59 118.68 123.97 1gqh s LEU 226 Ca -0.02 -0.02 -0.05 0.00 -0.22 0.00 0.00 54.13 53.82 1gqh s LEU 226 Cb -0.08 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 1gqh s LEU 226 CO 0.01 -0.01 -0.00 0.21 -1.32 0.00 0.00 176.35 175.23 1gqh s ASN 227 N 1.51 5.01 -0.15 3.68 3.84 0.88 -1.65 114.94 128.05 1gqh s ASN 227 Ca 0.07 -0.10 0.16 0.00 0.21 0.00 0.00 52.86 53.20 1gqh s ASN 227 Cb -0.15 -1.84 0.45 0.00 -0.55 0.00 0.00 41.25 39.16 1gqh s ASN 227 CO 0.08 0.14 1.35 -1.20 -2.79 0.00 0.00 177.10 174.68 1gqh n SER 228 N 3.73 3.49 -0.01 -4.21 7.64 -1.26 -0.90 113.62 122.11 1gqh n SER 228 Ca -0.17 -2.90 -0.11 0.00 1.01 0.00 0.00 58.87 56.70 1gqh n SER 228 Cb 0.52 -0.48 0.03 0.00 -1.01 0.00 0.00 64.21 63.28 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 1.48 0.61 -2.03 1.43 4.20 -1.95 -3.37 115.11 115.48 1gqh h GLN 229 Ca 0.00 -0.39 -0.55 0.00 0.06 0.00 0.00 58.65 57.77 1gqh h GLN 229 Cb 1.27 0.05 -0.40 0.00 0.30 0.00 0.00 27.48 28.71 1gqh h GLN 229 CO 0.16 1.01 -1.04 0.66 -0.67 0.00 0.00 178.83 178.94 1gqh n TYR 230 N -3.96 0.40 -4.21 2.96 4.01 -1.26 -5.05 117.16 110.05 1gqh n TYR 230 Ca -0.04 -3.70 0.00 0.00 -0.16 0.00 0.00 57.90 54.01 1gqh n TYR 230 Cb 0.62 -0.39 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 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 1.07 -1.42 3.74 2.72 0.00 -1.26 -4.80 105.19 105.24 1gqh n GLY 231 Ca 0.23 -1.27 -0.35 0.00 0.00 0.00 0.00 46.02 44.63 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 3.44 -0.02 1.61 2.02 -1.26 -3.99 117.35 119.15 1gqh s TYR 232 Ca 0.00 0.41 0.01 0.00 -0.37 0.00 0.00 57.07 57.13 1gqh s TYR 232 Cb 0.00 -2.20 0.01 0.00 -0.40 0.00 0.00 41.96 39.37 1gqh s TYR 232 CO 0.00 0.30 -0.04 -0.65 -1.57 0.00 0.00 175.55 173.59 1gqh s GLN 233 N 0.31 0.54 -0.21 -0.62 -0.21 -0.07 -0.87 119.66 118.53 1gqh s GLN 233 Ca 0.11 -0.13 -0.02 0.00 0.02 0.00 0.00 55.36 55.33 1gqh s GLN 233 Cb -0.12 -0.56 -0.00 0.00 1.00 0.00 0.00 33.01 33.33 1gqh s GLN 233 CO -0.00 0.03 -0.09 0.42 -2.12 0.00 0.00 175.29 173.53 1gqh s ILE 234 N 0.34 3.00 -0.19 1.08 1.01 0.23 -0.09 121.20 126.58 1gqh s ILE 234 Ca -0.04 -0.62 -0.10 0.00 0.00 0.00 0.00 60.65 59.90 1gqh s ILE 234 Cb -0.08 -2.34 -0.05 0.00 0.01 0.00 0.00 42.46 40.01 1gqh s ILE 234 CO -0.00 0.46 0.12 -0.69 0.00 0.00 0.00 174.94 174.82 1gqh s VAL 235 N 1.40 5.32 -0.44 2.92 1.01 0.24 -0.58 120.40 130.28 1gqh s VAL 235 Ca 0.05 0.16 0.01 0.00 0.00 0.00 0.00 61.98 62.20 1gqh s VAL 235 Cb -0.14 -3.42 0.12 0.00 0.00 0.00 0.00 36.38 32.94 1gqh s VAL 235 CO -0.06 0.45 0.20 0.00 0.00 0.00 0.00 175.10 175.69 1gqh s ALA 236 N 0.32 3.16 0.27 5.51 0.00 -0.52 -0.41 121.76 130.07 1gqh s ALA 236 Ca 0.07 -2.77 -0.30 0.00 0.00 0.00 0.00 51.96 48.96 1gqh s ALA 236 Cb -0.11 -2.25 -0.11 0.00 0.00 0.00 0.00 23.12 20.64 1gqh s ALA 236 CO -0.02 -1.85 1.59 -2.14 0.00 0.00 0.00 175.76 173.35 1gqh s PRO 237 N 0.63 4.15 -0.17 0.00 0.02 -1.25 -1.97 135.00 136.41 1gqh s PRO 237 Ca 0.12 2.53 0.02 0.00 0.02 0.00 0.00 61.00 63.69 1gqh s PRO 237 Cb -0.22 -3.05 -0.12 0.00 0.02 0.00 0.00 34.50 31.14 1gqh s PRO 237 CO -0.05 -0.62 -0.15 1.19 -0.33 0.00 0.00 177.00 177.05 1gqh n PHE 238 N 2.56 0.00 -3.90 6.54 3.72 0.03 -4.75 117.46 121.67 1gqh n PHE 238 Ca 0.09 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.33 1gqh n PHE 238 Cb 0.38 -0.67 -0.16 0.00 -0.94 0.00 0.00 39.48 38.08 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 -2.35 0.12 0.35 -4.37 1.01 -0.51 -4.97 120.40 109.68 1gqh s VAL 239 Ca -0.23 0.10 0.02 0.00 0.00 0.00 0.00 61.98 61.86 1gqh s VAL 239 Cb 0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 36.38 36.22 1gqh s VAL 239 CO 0.41 0.12 0.06 0.35 0.00 0.00 0.00 175.10 176.03 1gqh n THR 240 N 4.02 0.00 -0.30 3.92 -2.24 -1.26 -2.46 114.28 115.96 1gqh n THR 240 Ca -0.26 -1.81 0.00 0.00 -2.27 0.00 0.00 64.05 59.71 1gqh n THR 240 Cb 0.51 0.51 0.13 0.00 -2.10 0.00 0.00 70.33 69.38 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 1.36 1.12 -0.73 6.98 0.00 -1.92 0.23 119.26 126.30 1gqh h ALA 241 Ca -0.28 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 54.76 1gqh h ALA 241 Cb 0.95 -0.22 -0.14 0.00 0.00 0.00 0.00 17.79 18.38 1gqh h ALA 241 CO 0.46 0.25 -0.28 1.15 0.00 0.00 0.00 179.25 180.83 1gqh h THR 242 N 0.93 0.17 0.06 0.00 2.02 -1.96 0.68 112.91 114.82 1gqh h THR 242 Ca 0.36 0.00 -0.29 0.00 0.77 0.00 0.00 66.41 67.24 1gqh h THR 242 Cb 0.15 0.17 -0.03 0.00 -1.74 0.00 0.00 68.15 66.71 1gqh h THR 242 CO -0.17 0.00 -1.56 1.56 0.37 0.00 0.00 175.52 175.72 1gqh h GLN 243 N -0.07 0.14 -0.00 6.66 7.50 -1.46 -3.37 115.11 124.51 1gqh h GLN 243 Ca 0.31 -0.23 -0.19 0.00 0.50 0.00 0.00 58.65 59.04 1gqh h GLN 243 Cb 0.57 0.09 -0.01 0.00 0.05 0.00 0.00 27.48 28.17 1gqh h GLN 243 CO -0.78 0.91 -0.85 0.00 -1.50 0.00 0.00 178.83 176.61 1gqh h ALA 244 N 0.68 0.56 -0.39 3.87 0.00 -0.32 -3.44 119.26 120.22 1gqh h ALA 244 Ca -0.24 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 53.95 1gqh h ALA 244 Cb 1.98 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.69 1gqh h ALA 244 CO 0.12 0.92 0.00 1.04 0.00 0.00 0.00 179.25 181.33 1gqh n GLN 245 N -3.66 0.00 0.11 0.00 6.02 0.21 -0.79 117.38 119.28 1gqh n GLN 245 Ca -0.03 0.00 0.11 0.00 -0.01 0.00 0.00 57.00 57.07 1gqh n GLN 245 Cb 0.79 0.00 0.47 0.00 1.02 0.00 0.00 30.24 32.52 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 2.86 0.56 0.19 1.08 5.75 -1.26 -1.57 116.55 124.16 1gqh n ASP 246 Ca 0.00 0.65 0.14 0.00 -0.01 0.00 0.00 54.79 55.57 1gqh n ASP 246 Cb 0.00 -0.76 0.61 0.00 -1.03 0.00 0.00 41.12 39.94 1gqh n ASP 246 CO 0.00 0.00 0.00 0.71 -0.11 0.00 0.00 177.20 177.80 1gqh h THR 247 N 0.00 0.00 -5.77 2.12 1.35 -1.34 -3.47 112.91 105.79 1gqh h THR 247 Ca 0.00 -0.28 -0.33 0.00 -0.55 0.00 0.00 66.41 65.25 1gqh h THR 247 Cb 0.32 1.09 0.15 0.00 -1.73 0.00 0.00 68.15 67.98 1gqh h THR 247 CO 0.00 0.00 -0.89 -3.20 -0.25 0.00 0.00 175.52 171.18 1gqh n ASN 248 N -2.56 -5.96 -3.87 5.36 5.15 -0.61 -4.88 115.26 107.89 1gqh n ASN 248 Ca 0.01 -0.83 -0.09 0.00 -0.60 0.00 0.00 54.58 53.07 1gqh n ASN 248 Cb 0.22 -4.46 -0.04 0.00 -0.53 0.00 0.00 39.78 34.97 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 -3.42 0.06 0.19 1.20 1.13 -1.23 0.03 117.35 115.31 1gqh s TYR 249 Ca 0.45 -0.44 0.08 0.00 -1.41 0.00 0.00 57.07 55.75 1gqh s TYR 249 Cb -0.10 0.38 -0.04 0.00 -1.10 0.00 0.00 41.96 41.09 1gqh s TYR 249 CO 0.79 -1.02 -0.15 0.95 -2.51 0.00 0.00 175.55 173.61 1gqh s THR 250 N -3.94 1.72 -0.12 -3.49 -4.23 0.44 -4.57 115.64 101.45 1gqh s THR 250 Ca 0.15 -2.11 -0.16 0.00 -1.18 0.00 0.00 61.69 58.39 1gqh s THR 250 Cb -0.02 -1.96 0.04 0.00 1.34 0.00 0.00 72.50 71.90 1gqh s THR 250 CO 0.04 -0.52 0.43 -0.22 -0.54 0.00 0.00 174.62 173.81 1gqh s LEU 251 N -3.11 0.37 0.00 4.79 2.96 -1.03 -1.40 118.68 121.26 1gqh s LEU 251 Ca 0.20 0.68 0.00 0.00 -0.22 0.00 0.00 54.13 54.79 1gqh s LEU 251 Cb -0.02 1.53 0.00 0.00 0.50 0.00 0.00 46.19 48.20 1gqh s LEU 251 CO 0.06 -0.26 0.00 -1.54 -1.32 0.00 0.00 176.35 173.29 1gqh n SER 252 N 2.30 0.00 -4.73 3.68 3.41 -0.11 -0.79 113.62 117.39 1gqh n SER 252 Ca -0.16 0.00 -0.30 0.00 -0.26 0.00 0.00 58.87 58.15 1gqh n SER 252 Cb 0.57 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.44 1gqh n SER 252 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1gqh s THR 253 N -2.00 4.27 -0.14 6.66 -4.23 -0.83 0.90 115.64 120.27 1gqh s THR 253 Ca 0.00 -0.86 0.01 0.00 -1.18 0.00 0.00 61.69 59.66 1gqh s THR 253 Cb 0.00 -3.04 0.02 0.00 1.34 0.00 0.00 72.50 70.82 1gqh s THR 253 CO 0.00 0.14 -0.17 -0.63 -0.54 0.00 0.00 174.62 173.42 1gqh s ILE 254 N -1.34 1.70 0.04 2.99 1.01 -0.52 -1.44 121.20 123.65 1gqh s ILE 254 Ca 0.27 -0.74 0.01 0.00 0.00 0.00 0.00 60.65 60.19 1gqh s ILE 254 Cb -0.12 -1.56 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 1gqh s ILE 254 CO 0.20 0.48 0.13 -0.44 0.00 0.00 0.00 174.94 175.31 1gqh s SER 255 N 1.21 5.90 0.01 3.58 0.01 0.26 -1.04 113.70 123.63 1gqh s SER 255 Ca -0.00 0.15 0.01 0.00 1.31 0.00 0.00 55.95 57.42 1gqh s SER 255 Cb -0.14 -1.72 -0.01 0.00 0.21 0.00 0.00 66.02 64.36 1gqh s SER 255 CO -0.07 0.20 -0.04 -0.04 0.41 0.00 0.00 173.24 173.70 1gqh s MET 256 N -2.23 0.33 0.65 12.44 1.00 0.45 -0.60 119.30 131.35 1gqh s MET 256 Ca 0.29 -0.40 0.05 0.00 0.00 0.00 0.00 55.69 55.63 1gqh s MET 256 Cb -0.12 -0.17 0.11 0.00 0.00 0.00 0.00 34.83 34.65 1gqh s MET 256 CO 0.22 0.03 0.90 -1.54 0.00 0.00 0.00 175.02 174.63 1gqh s SER 257 N -0.80 4.69 0.84 3.03 1.04 -0.05 -1.88 113.70 120.58 1gqh s SER 257 Ca -0.06 -0.63 -0.12 0.00 0.48 0.00 0.00 55.95 55.62 1gqh s SER 257 Cb -0.06 0.19 0.10 0.00 0.10 0.00 0.00 66.02 66.35 1gqh s SER 257 CO -0.00 -1.63 1.13 0.42 0.98 0.00 0.00 173.24 174.14 1gqh s THR 258 N -2.91 2.43 -0.35 2.02 -4.23 -1.26 -4.35 115.64 106.98 1gqh s THR 258 Ca 0.64 0.14 -0.19 0.00 -1.18 0.00 0.00 61.69 61.10 1gqh s THR 258 Cb -0.05 -2.96 -0.00 0.00 1.34 0.00 0.00 72.50 70.82 1gqh s THR 258 CO 0.42 -0.18 0.57 -0.89 -0.54 0.00 0.00 174.62 174.00 1gqh s THR 259 N -3.32 4.96 0.88 3.99 2.01 -1.26 -4.57 115.64 118.33 1gqh s THR 259 Ca 0.62 0.46 -0.11 0.00 0.31 0.00 0.00 61.69 62.96 1gqh s THR 259 Cb -0.14 -4.01 0.17 0.00 0.01 0.00 0.00 72.50 68.53 1gqh s THR 259 CO 0.52 -0.26 1.21 -2.16 -0.69 0.00 0.00 174.62 173.25 1gqh s PRO 260 N 2.53 1.05 0.25 4.92 0.04 -1.26 -4.92 135.00 137.61 1gqh s PRO 260 Ca 0.21 -0.57 -0.31 0.00 0.04 0.00 0.00 61.00 60.37 1gqh s PRO 260 Cb -0.15 -2.00 -0.13 0.00 0.04 0.00 0.00 34.50 32.26 1gqh s PRO 260 CO 0.14 -2.07 1.41 0.45 0.04 0.00 0.00 177.00 176.97 1gqh n SER 261 N -3.46 2.81 0.00 6.66 2.88 -1.26 -1.63 113.62 119.62 1gqh n SER 261 Ca 0.15 1.15 0.00 0.00 -1.33 0.00 0.00 58.87 58.83 1gqh n SER 261 Cb 0.60 -1.44 0.00 0.00 -0.75 0.00 0.00 64.21 62.62 1gqh n SER 261 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1gqh n THR 262 N 1.80 0.00 -3.25 2.46 -2.24 -1.26 -5.02 114.28 106.77 1gqh n THR 262 Ca 0.11 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.50 1gqh n THR 262 Cb 0.32 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.49 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 -1.55 4.96 -0.10 2.28 1.01 -0.65 -5.07 120.40 121.29 1gqh s VAL 263 Ca 0.00 1.17 -0.04 0.00 0.00 0.00 0.00 61.98 63.10 1gqh s VAL 263 Cb 0.00 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 1gqh s VAL 263 CO 0.00 0.42 0.08 -0.89 0.00 0.00 0.00 175.10 174.71 1gqh s THR 264 N -0.16 4.96 0.06 3.92 2.01 -1.26 -4.73 115.64 120.44 1gqh s THR 264 Ca 0.30 -0.03 -0.30 0.00 0.31 0.00 0.00 61.69 61.96 1gqh s THR 264 Cb -0.18 -3.14 -0.09 0.00 0.01 0.00 0.00 72.50 69.10 1gqh s THR 264 CO 0.16 0.59 1.76 -0.69 -0.69 0.00 0.00 174.62 175.75 1gqh s VAL 265 N -0.99 2.97 0.72 3.82 1.01 -1.26 -4.94 120.40 121.73 1gqh s VAL 265 Ca 0.15 0.30 -0.11 0.00 0.00 0.00 0.00 61.98 62.32 1gqh s VAL 265 Cb -0.12 -3.19 0.02 0.00 0.00 0.00 0.00 36.38 33.09 1gqh s VAL 265 CO 0.04 -0.01 1.09 -2.16 0.00 0.00 0.00 175.10 174.06 1gqh s PRO 266 N 3.21 2.74 -0.12 2.72 0.04 -1.26 -5.03 135.00 137.31 1gqh s PRO 266 Ca 0.79 0.57 -0.02 0.00 0.04 0.00 0.00 61.00 62.37 1gqh s PRO 266 Cb -0.41 -2.00 -0.03 0.00 0.04 0.00 0.00 34.50 32.10 1gqh s PRO 266 CO 0.35 -1.14 -0.04 0.99 0.04 0.00 0.00 177.00 177.20 1gqh s THR 267 N -3.27 3.94 0.23 1.26 2.01 -1.26 -4.55 115.64 114.01 1gqh s THR 267 Ca 0.58 -0.36 0.11 0.00 0.31 0.00 0.00 61.69 62.33 1gqh s THR 267 Cb -0.12 -2.68 -0.05 0.00 0.01 0.00 0.00 72.50 69.66 1gqh s THR 267 CO 0.53 0.54 -0.17 0.26 -0.69 0.00 0.00 174.62 175.10 1gqh s TRP 268 N -0.21 2.41 -0.24 4.92 0.52 0.37 -4.96 118.94 121.76 1gqh s TRP 268 Ca 0.04 -0.30 -0.14 0.00 0.02 0.00 0.00 56.10 55.71 1gqh s TRP 268 Cb -0.13 -1.12 0.07 0.00 -1.15 0.00 0.00 33.47 31.15 1gqh s TRP 268 CO 0.02 0.60 0.58 0.45 0.02 0.00 0.00 176.95 178.63 1gqh s SER 269 N -3.16 -0.77 0.03 2.95 0.15 -1.26 -1.47 113.70 110.17 1gqh s SER 269 Ca 0.27 1.27 0.02 0.00 0.70 0.00 0.00 55.95 58.20 1gqh s SER 269 Cb -0.07 1.16 -0.02 0.00 -1.71 0.00 0.00 66.02 65.38 1gqh s SER 269 CO 0.14 -0.22 -0.07 -0.36 1.20 0.00 0.00 173.24 173.93 1gqh s PHE 270 N 1.43 0.62 0.32 3.44 0.08 -1.26 -4.98 117.98 117.63 1gqh s PHE 270 Ca -0.09 -0.44 0.04 0.00 0.12 0.00 0.00 56.93 56.56 1gqh s PHE 270 Cb -0.06 -0.38 0.55 0.00 -0.57 0.00 0.00 43.02 42.57 1gqh s PHE 270 CO -0.15 -0.08 1.82 -1.00 -0.10 0.00 0.00 175.22 175.71 1gqh h PRO 271 N 4.71 0.46 -6.10 0.24 0.13 -1.92 0.47 132.00 130.00 1gqh h PRO 271 Ca -0.35 -0.13 -0.59 0.00 -0.87 0.00 0.00 66.00 64.07 1gqh h PRO 271 Cb 1.20 -0.05 -0.04 0.00 0.13 0.00 0.00 31.00 32.24 1gqh h PRO 271 CO 0.42 0.58 -0.33 0.20 -0.23 0.00 0.00 178.00 178.64 1gqh s GLY 272 N -3.95 2.25 0.76 1.56 0.00 -1.25 -3.91 107.32 102.78 1gqh s GLY 272 Ca -0.07 -0.57 -0.16 0.00 0.00 0.00 0.00 44.72 43.93 1gqh s GLY 272 CO 0.77 -0.46 0.63 0.00 0.00 0.00 0.00 173.10 174.04 1gqh n ALA 273 N 0.37 -1.35 -2.96 3.20 0.00 -1.26 -4.09 120.51 114.41 1gqh n ALA 273 Ca -0.05 -0.28 -0.10 0.00 0.00 0.00 0.00 53.44 53.01 1gqh n ALA 273 Cb 0.52 -1.91 -0.06 0.00 0.00 0.00 0.00 19.45 18.00 1gqh n ALA 273 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1gqh s ALA 275 N -3.99 -1.61 0.01 0.00 0.00 -0.14 -0.45 121.76 115.58 1gqh s ALA 275 Ca 0.20 0.51 -0.12 0.00 0.00 0.00 0.00 51.96 52.55 1gqh s ALA 275 Cb 0.01 0.80 0.01 0.00 0.00 0.00 0.00 23.12 23.94 1gqh s ALA 275 CO 0.04 -0.78 0.25 -0.59 0.00 0.00 0.00 175.76 174.68 1gqh s PHE 276 N -3.64 -0.07 -0.17 0.00 -0.12 -0.56 -1.34 117.98 112.08 1gqh s PHE 276 Ca 0.03 0.01 0.01 0.00 -0.05 0.00 0.00 56.93 56.93 1gqh s PHE 276 Cb -0.01 0.04 0.02 0.00 -0.63 0.00 0.00 43.02 42.43 1gqh s PHE 276 CO -0.10 -0.40 -0.20 -1.14 -0.05 0.00 0.00 175.22 173.33 1gqh s GLN 277 N -1.82 2.98 0.26 1.99 0.74 -0.10 -0.93 119.66 122.78 1gqh s GLN 277 Ca -0.11 -0.83 -0.30 0.00 0.05 0.00 0.00 55.36 54.17 1gqh s GLN 277 Cb -0.04 -2.54 -0.10 0.00 1.10 0.00 0.00 33.01 31.43 1gqh s GLN 277 CO 0.01 -0.17 1.48 0.08 -0.55 0.00 0.00 175.29 176.14 1gqh s VAL 278 N 1.20 2.50 -0.22 1.34 1.01 -0.51 -0.42 120.40 125.30 1gqh s VAL 278 Ca 0.03 0.42 -0.06 0.00 0.00 0.00 0.00 61.98 62.37 1gqh s VAL 278 Cb -0.13 -3.27 -0.12 0.00 0.00 0.00 0.00 36.38 32.86 1gqh s VAL 278 CO -0.11 0.07 -0.24 0.00 0.00 0.00 0.00 175.10 174.81 1gqh n GLN 279 N 2.33 0.50 -4.03 2.72 1.13 -0.07 0.10 117.38 120.05 1gqh n GLN 279 Ca 0.07 0.17 -0.13 0.00 -1.94 0.00 0.00 57.00 55.18 1gqh n GLN 279 Cb 0.39 -1.35 -0.13 0.00 0.11 0.00 0.00 30.24 29.26 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 -2.42 0.33 0.54 -1.09 2.12 -0.81 -4.66 118.70 112.71 1gqh s GLU 280 Ca -0.30 -0.38 0.00 0.00 0.36 0.00 0.00 54.97 54.65 1gqh s GLU 280 Cb 0.10 -0.18 0.00 0.00 0.26 0.00 0.00 34.13 34.31 1gqh s GLU 280 CO 0.44 0.04 0.00 0.41 -0.54 0.00 0.00 175.26 175.60 1gqh n GLY 281 N 2.32 -1.67 2.75 -1.50 0.00 -1.26 -1.58 105.19 104.23 1gqh n GLY 281 Ca -0.18 -1.81 -0.20 0.00 0.00 0.00 0.00 46.02 43.84 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 0.10 -0.10 1.61 0.52 -1.26 -4.21 118.95 115.60 1gqh s ARG 282 Ca 0.00 0.27 0.02 0.00 -0.52 0.00 0.00 55.73 55.50 1gqh s ARG 282 Cb 0.00 -1.00 0.01 0.00 0.52 0.00 0.00 34.95 34.48 1gqh s ARG 282 CO 0.00 -0.53 -0.16 0.08 0.02 0.00 0.00 175.30 174.71 1gqh s VAL 283 N 2.27 1.51 -0.09 3.52 1.01 -0.84 -0.91 120.40 126.88 1gqh s VAL 283 Ca 0.04 -0.67 -0.13 0.00 0.00 0.00 0.00 61.98 61.22 1gqh s VAL 283 Cb -0.14 -1.37 -0.05 0.00 0.00 0.00 0.00 36.38 34.82 1gqh s VAL 283 CO -0.09 0.44 0.32 -0.69 0.00 0.00 0.00 175.10 175.08 1gqh s VAL 284 N 0.81 5.23 -0.02 2.92 1.01 0.13 -0.17 120.40 130.31 1gqh s VAL 284 Ca -0.10 0.62 0.04 0.00 0.00 0.00 0.00 61.98 62.53 1gqh s VAL 284 Cb -0.16 -3.63 -0.00 0.00 0.00 0.00 0.00 36.38 32.59 1gqh s VAL 284 CO 0.01 0.50 -0.13 0.54 0.00 0.00 0.00 175.10 176.03 1gqh s VAL 285 N -0.39 1.04 -0.11 2.92 0.11 -0.39 -1.37 120.40 122.21 1gqh s VAL 285 Ca 0.20 -0.53 -0.00 0.00 -2.93 0.00 0.00 61.98 58.71 1gqh s VAL 285 Cb -0.14 -0.90 0.02 0.00 -1.53 0.00 0.00 36.38 33.83 1gqh s VAL 285 CO 0.08 0.31 -0.09 -1.58 -3.33 0.00 0.00 175.10 170.49 1gqh s GLN 286 N -0.05 1.64 -0.11 1.54 0.74 -0.17 -1.76 119.66 121.50 1gqh s GLN 286 Ca 0.00 -0.30 0.03 0.00 0.05 0.00 0.00 55.36 55.13 1gqh s GLN 286 Cb -0.08 -1.64 0.01 0.00 1.10 0.00 0.00 33.01 32.40 1gqh s GLN 286 CO 0.00 -0.24 -0.19 0.42 -0.55 0.00 0.00 175.29 174.73 1gqh s ILE 287 N 1.60 1.76 0.00 -2.34 1.01 -1.26 -1.09 121.20 120.88 1gqh s ILE 287 Ca 0.03 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 59.86 1gqh s ILE 287 Cb -0.13 -1.56 0.00 0.00 0.01 0.00 0.00 42.46 40.78 1gqh s ILE 287 CO -0.08 0.49 0.00 0.61 0.00 0.00 0.00 174.94 175.97 1gqh n GLY 288 N 3.87 3.19 0.89 6.18 0.00 0.24 -1.52 105.19 118.05 1gqh n GLY 288 Ca -0.20 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 45.84 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 3.33 2.65 -4.84 1.61 8.00 -1.26 -4.96 116.55 121.08 1gqh n ASP 289 Ca 0.00 -1.89 -0.31 0.00 0.71 0.00 0.00 54.79 53.29 1gqh n ASP 289 Cb 0.00 -0.22 0.01 0.00 -0.02 0.00 0.00 41.12 40.89 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 -1.57 3.38 0.39 1.24 1.51 -0.58 -4.79 117.35 116.94 1gqh s TYR 290 Ca 0.35 1.39 -0.25 0.00 -1.01 0.00 0.00 57.07 57.55 1gqh s TYR 290 Cb 0.20 -2.81 -0.09 0.00 -0.11 0.00 0.00 41.96 39.15 1gqh s TYR 290 CO 0.28 -0.81 1.12 0.00 -1.11 0.00 0.00 175.55 175.03 1gqh s ALA 291 N -2.93 3.14 0.69 3.71 0.00 -1.02 -4.45 121.76 120.90 1gqh s ALA 291 Ca 0.58 0.87 -0.16 0.00 0.00 0.00 0.00 51.96 53.25 1gqh s ALA 291 Cb -0.12 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.67 1gqh s ALA 291 CO 0.47 -0.40 1.21 0.00 0.00 0.00 0.00 175.76 177.04 1gqh s ALA 292 N -1.48 2.27 -0.08 0.00 0.00 -1.26 -4.67 121.76 116.54 1gqh s ALA 292 Ca 0.56 0.92 -0.07 0.00 0.00 0.00 0.00 51.96 53.38 1gqh s ALA 292 Cb -0.28 -3.46 0.03 0.00 0.00 0.00 0.00 23.12 19.40 1gqh s ALA 292 CO 0.35 -1.64 0.21 0.99 0.00 0.00 0.00 175.76 175.67 1gqh s THR 293 N -1.86 -0.01 -0.09 0.00 2.01 -0.72 -4.99 115.64 109.99 1gqh s THR 293 Ca 0.75 0.04 -0.17 0.00 0.31 0.00 0.00 61.69 62.62 1gqh s THR 293 Cb -0.30 -0.31 -0.05 0.00 0.01 0.00 0.00 72.50 71.86 1gqh s THR 293 CO 0.42 0.02 0.45 -0.70 -0.69 0.00 0.00 174.62 174.11 1gqh s GLU 294 N 0.40 4.23 0.04 4.92 2.12 -1.26 -1.26 118.70 127.89 1gqh s GLU 294 Ca -0.02 0.42 0.04 0.00 0.36 0.00 0.00 54.97 55.76 1gqh s GLU 294 Cb -0.04 -3.38 -0.04 0.00 0.26 0.00 0.00 34.13 30.94 1gqh s GLU 294 CO -0.02 0.31 -0.06 -0.51 -0.54 0.00 0.00 175.26 174.44 1gqh s LEU 295 N 0.14 3.22 0.00 2.70 1.02 0.76 -4.95 118.68 121.57 1gqh s LEU 295 Ca 0.25 -0.19 0.00 0.00 0.02 0.00 0.00 54.13 54.20 1gqh s LEU 295 Cb -0.15 -1.90 0.00 0.00 0.02 0.00 0.00 46.19 44.16 1gqh s LEU 295 CO 0.11 0.24 0.00 0.61 0.02 0.00 0.00 176.35 177.33 1gqh n GLY 296 N 1.20 4.06 3.67 -3.19 0.00 -1.26 -1.98 105.19 107.69 1gqh n GLY 296 Ca -0.14 -2.21 -0.46 0.00 0.00 0.00 0.00 46.02 43.21 1gqh n GLY 296 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gqh n SER 297 N -1.12 2.91 0.00 1.61 3.41 -1.26 -1.64 113.62 117.54 1gqh n SER 297 Ca -0.00 1.10 0.00 0.00 -0.26 0.00 0.00 58.87 59.71 1gqh n SER 297 Cb 0.01 -1.41 0.00 0.00 -0.26 0.00 0.00 64.21 62.55 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 2.99 2.56 3.77 5.00 0.00 0.11 -4.63 105.19 115.00 1gqh n GLY 298 Ca 0.15 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.71 6.24 -0.02 1.61 1.01 -0.65 -3.80 116.67 117.33 1gqh s ASP 299 Ca 0.00 2.29 0.06 0.00 0.71 0.00 0.00 52.55 55.61 1gqh s ASP 299 Cb 0.00 -2.60 -0.01 0.00 1.01 0.00 0.00 42.92 41.31 1gqh s ASP 299 CO 0.00 -0.87 -0.21 -0.69 0.21 0.00 0.00 175.17 173.61 1gqh s VAL 300 N -1.55 1.68 -0.02 -1.27 1.01 -0.55 -1.43 120.40 118.27 1gqh s VAL 300 Ca 0.63 -0.90 0.08 0.00 0.00 0.00 0.00 61.98 61.79 1gqh s VAL 300 Cb -0.28 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.68 1gqh s VAL 300 CO 0.34 0.47 -0.25 0.00 0.00 0.00 0.00 175.10 175.66 1gqh s ALA 301 N -0.41 2.12 -0.07 5.51 0.00 -0.11 -1.04 121.76 127.76 1gqh s ALA 301 Ca 0.06 -1.09 0.04 0.00 0.00 0.00 0.00 51.96 50.96 1gqh s ALA 301 Cb -0.09 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.49 1gqh s ALA 301 CO -0.00 0.51 -0.18 0.12 0.00 0.00 0.00 175.76 176.21 1gqh s PHE 302 N -0.57 1.95 -0.23 0.00 5.36 0.31 -1.50 117.98 123.31 1gqh s PHE 302 Ca 0.09 -0.69 0.01 0.00 -0.96 0.00 0.00 56.93 55.39 1gqh s PHE 302 Cb -0.10 -1.33 0.06 0.00 -0.34 0.00 0.00 43.02 41.30 1gqh s PHE 302 CO -0.01 -0.28 -0.08 0.42 -1.46 0.00 0.00 175.22 173.82 1gqh s ILE 303 N 0.29 1.70 0.53 3.12 1.09 0.40 -2.59 121.20 125.73 1gqh s ILE 303 Ca -0.11 -1.25 -0.22 0.00 -1.10 0.00 0.00 60.65 57.97 1gqh s ILE 303 Cb -0.15 -1.88 -0.06 0.00 -1.06 0.00 0.00 42.46 39.31 1gqh s ILE 303 CO 0.05 -0.01 1.15 -2.65 -0.10 0.00 0.00 174.94 173.38 1gqh n PRO 304 N 4.62 1.39 -1.73 2.79 -0.02 -1.26 -1.24 135.00 139.56 1gqh n PRO 304 Ca -0.13 0.51 -0.42 0.00 -2.02 0.00 0.00 63.50 61.44 1gqh n PRO 304 Cb 0.44 -2.32 -0.01 0.00 -0.02 0.00 0.00 33.50 31.60 1gqh n PRO 304 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gqh n GLY 305 N 1.02 1.00 2.19 -1.23 0.00 -1.26 -2.36 105.19 104.56 1gqh n GLY 305 Ca 0.11 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.52 1gqh n GLY 305 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gqh n GLY 306 N 1.35 0.86 3.78 -0.02 0.00 0.17 -4.86 105.19 106.47 1gqh n GLY 306 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 1gqh n GLY 306 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gqh s VAL 307 N -3.45 5.06 0.32 1.61 1.01 -0.99 -4.92 120.40 119.05 1gqh s VAL 307 Ca 0.00 0.04 -0.27 0.00 0.00 0.00 0.00 61.98 61.76 1gqh s VAL 307 Cb 0.00 -3.20 -0.09 0.00 0.00 0.00 0.00 36.38 33.08 1gqh s VAL 307 CO 0.00 0.58 1.01 -1.61 0.00 0.00 0.00 175.10 175.09 1gqh s GLU 308 N -0.72 4.50 0.13 2.72 2.02 -1.26 -4.58 118.70 121.52 1gqh s GLU 308 Ca 0.13 1.52 -0.12 0.00 0.02 0.00 0.00 54.97 56.52 1gqh s GLU 308 Cb -0.12 -2.88 0.01 0.00 0.10 0.00 0.00 34.13 31.24 1gqh s GLU 308 CO 0.03 0.16 0.32 -0.59 0.02 0.00 0.00 175.26 175.20 1gqh s PHE 309 N -1.46 0.08 0.03 1.61 -0.71 -0.54 -0.59 117.98 116.39 1gqh s PHE 309 Ca 0.50 -0.45 0.02 0.00 -1.04 0.00 0.00 56.93 55.96 1gqh s PHE 309 Cb -0.24 0.09 -0.02 0.00 -1.21 0.00 0.00 43.02 41.64 1gqh s PHE 309 CO 0.30 -0.68 -0.06 0.15 -1.34 0.00 0.00 175.22 173.59 1gqh s LYS 310 N -3.87 0.45 0.04 1.99 1.02 -0.25 -0.48 119.74 118.64 1gqh s LYS 310 Ca 0.08 -0.62 -0.06 0.00 0.02 0.00 0.00 55.97 55.39 1gqh s LYS 310 Cb 0.03 -0.22 -0.01 0.00 -0.52 0.00 0.00 37.83 37.11 1gqh s LYS 310 CO -0.07 0.04 0.10 1.52 -0.92 0.00 0.00 175.35 176.02 1gqh s TYR 311 N -1.18 0.19 0.19 3.18 1.13 -1.26 -1.00 117.35 118.61 1gqh s TYR 311 Ca -0.09 -0.50 -0.20 0.00 -1.41 0.00 0.00 57.07 54.87 1gqh s TYR 311 Cb -0.09 -0.14 0.04 0.00 -1.10 0.00 0.00 41.96 40.68 1gqh s TYR 311 CO 0.00 -0.38 0.57 1.52 -2.51 0.00 0.00 175.55 174.76 1gqh s TYR 312 N -2.67 -0.27 -0.24 -3.49 -0.85 -0.47 -4.84 117.35 104.52 1gqh s TYR 312 Ca -0.04 -0.05 -0.12 0.00 -0.52 0.00 0.00 57.07 56.34 1gqh s TYR 312 Cb -0.01 0.49 -0.05 0.00 0.38 0.00 0.00 41.96 42.78 1gqh s TYR 312 CO -0.05 -0.94 0.22 0.45 -1.52 0.00 0.00 175.55 173.72 1gqh s SER 313 N -2.84 6.18 0.09 -0.18 0.15 -1.26 -0.69 113.70 115.15 1gqh s SER 313 Ca 0.06 0.19 0.09 0.00 0.70 0.00 0.00 55.95 56.99 1gqh s SER 313 Cb -0.02 -2.14 -0.19 0.00 -1.71 0.00 0.00 66.02 61.96 1gqh s SER 313 CO -0.05 0.01 1.14 -0.33 1.20 0.00 0.00 173.24 175.21 1gqh h GLU 314 N 7.62 0.00 -7.21 5.44 4.39 -1.39 -3.41 114.58 120.03 1gqh h GLU 314 Ca -0.37 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 58.85 1gqh h GLU 314 Cb 1.17 0.00 0.05 0.00 -0.10 0.00 0.00 28.75 29.87 1gqh h GLU 314 CO 0.66 0.83 0.38 0.00 -1.16 0.00 0.00 179.01 179.72 1gqh s ALA 315 N -2.71 2.88 0.47 3.43 0.00 -1.09 -4.94 121.76 119.82 1gqh s ALA 315 Ca -0.00 0.28 0.22 0.00 0.00 0.00 0.00 51.96 52.46 1gqh s ALA 315 Cb 0.09 -3.18 1.35 0.00 0.00 0.00 0.00 23.12 21.39 1gqh s ALA 315 CO 0.82 -0.59 2.09 1.88 0.00 0.00 0.00 175.76 179.96 1gqh h TYR 316 N 0.57 0.00 -2.91 0.00 0.05 -1.91 -3.39 116.97 109.39 1gqh h TYR 316 Ca -0.47 0.00 -0.17 0.00 0.05 0.00 0.00 58.73 58.14 1gqh h TYR 316 Cb 1.20 0.00 -0.29 0.00 1.01 0.00 0.00 36.73 38.65 1gqh h TYR 316 CO 0.61 0.11 -0.44 0.12 -1.05 0.00 0.00 178.16 177.51 1gqh s PHE 317 N -4.53 -0.42 0.12 4.88 2.19 -1.26 -4.07 117.98 114.89 1gqh s PHE 317 Ca -0.04 0.94 0.06 0.00 0.33 0.00 0.00 56.93 58.22 1gqh s PHE 317 Cb 0.15 0.10 -0.04 0.00 -1.31 0.00 0.00 43.02 41.92 1gqh s PHE 317 CO 0.62 -0.28 -0.14 -1.12 1.83 0.00 0.00 175.22 176.14 1gqh s SER 318 N 1.41 1.99 -0.06 6.13 0.01 -0.79 -4.45 113.70 117.94 1gqh s SER 318 Ca -0.08 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 56.38 1gqh s SER 318 Cb -0.10 -0.07 0.02 0.00 0.21 0.00 0.00 66.02 66.08 1gqh s SER 318 CO -0.10 -0.14 -0.04 -0.75 0.41 0.00 0.00 173.24 172.62 1gqh s LYS 319 N -2.61 0.92 0.25 12.44 2.20 -0.62 -0.42 119.74 131.91 1gqh s LYS 319 Ca 0.08 -0.10 0.12 0.00 -0.36 0.00 0.00 55.97 55.71 1gqh s LYS 319 Cb -0.05 -0.99 -0.05 0.00 -1.51 0.00 0.00 37.83 35.23 1gqh s LYS 319 CO 0.03 -0.14 -0.20 0.14 -0.36 0.00 0.00 175.35 174.82 1gqh s VAL 320 N 1.20 2.49 -0.22 4.02 -7.23 -0.21 -0.90 120.40 119.56 1gqh s VAL 320 Ca -0.06 -2.25 -0.15 0.00 -1.81 0.00 0.00 61.98 57.71 1gqh s VAL 320 Cb -0.14 -2.27 -0.04 0.00 0.56 0.00 0.00 36.38 34.49 1gqh s VAL 320 CO -0.02 -0.30 0.36 -0.22 -0.31 0.00 0.00 175.10 174.61 1gqh s LEU 321 N -3.22 4.12 -0.05 1.32 2.96 0.44 -1.44 118.68 122.81 1gqh s LEU 321 Ca 0.27 0.41 0.06 0.00 -0.22 0.00 0.00 54.13 54.64 1gqh s LEU 321 Cb -0.06 -2.43 -0.01 0.00 0.50 0.00 0.00 46.19 44.19 1gqh s LEU 321 CO 0.13 -0.08 -0.23 0.12 -1.32 0.00 0.00 176.35 174.98 1gqh s PHE 322 N 1.44 2.22 -0.01 5.38 5.36 0.26 -0.92 117.98 131.71 1gqh s PHE 322 Ca 0.16 -0.65 0.03 0.00 -0.96 0.00 0.00 56.93 55.52 1gqh s PHE 322 Cb -0.15 -1.46 -0.01 0.00 -0.34 0.00 0.00 43.02 41.06 1gqh s PHE 322 CO 0.08 -0.20 -0.11 0.54 -1.46 0.00 0.00 175.22 174.07 1gqh s VAL 323 N -0.11 0.87 -0.03 3.12 0.11 -0.45 -0.93 120.40 122.98 1gqh s VAL 323 Ca -0.03 -0.48 -0.01 0.00 -2.93 0.00 0.00 61.98 58.53 1gqh s VAL 323 Cb -0.13 -0.73 0.03 0.00 -1.53 0.00 0.00 36.38 34.02 1gqh s VAL 323 CO 0.03 0.24 0.07 -0.55 -3.33 0.00 0.00 175.10 171.56 1gqh s SER 324 N -0.27 -0.02 0.06 3.54 0.15 -0.50 -0.97 113.70 115.70 1gqh s SER 324 Ca 0.04 0.13 -0.27 0.00 0.70 0.00 0.00 55.95 56.55 1gqh s SER 324 Cb -0.04 0.05 -0.05 0.00 -1.71 0.00 0.00 66.02 64.27 1gqh s SER 324 CO -0.00 -0.10 0.85 -0.55 1.20 0.00 0.00 173.24 174.64 1gqh s SER 325 N 0.80 7.32 0.00 5.45 0.15 -0.06 -0.42 113.70 126.94 1gqh s SER 325 Ca -0.06 1.58 0.00 0.00 0.70 0.00 0.00 55.95 58.17 1gqh s SER 325 Cb -0.09 -2.52 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1gqh s SER 325 CO -0.03 -0.04 0.00 0.61 1.20 0.00 0.00 173.24 174.98 1gqh n GLY 326 N 2.41 1.91 0.55 9.45 0.00 0.10 -3.91 105.19 115.71 1gqh n GLY 326 Ca 0.00 -2.10 0.11 0.00 0.00 0.00 0.00 46.02 44.03 1gqh n GLY 326 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gqh n SER 327 N 0.00 2.13 -2.73 1.61 3.41 -1.26 -3.53 113.62 113.25 1gqh n SER 327 Ca 0.00 -1.56 -0.04 0.00 -0.26 0.00 0.00 58.87 57.00 1gqh n SER 327 Cb 0.00 0.40 0.04 0.00 -0.26 0.00 0.00 64.21 64.40 1gqh n SER 327 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1gqh n ASP 328 N 0.18 1.93 -2.82 4.04 8.00 -1.26 -4.90 116.55 121.71 1gqh n ASP 328 Ca 0.10 -2.32 -0.10 0.00 0.71 0.00 0.00 54.79 53.17 1gqh n ASP 328 Cb 0.47 -0.47 0.08 0.00 -0.02 0.00 0.00 41.12 41.18 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 -0.53 -2.23 0.35 0.44 0.00 -1.26 -4.58 105.19 97.38 1gqh n GLY 329 Ca 0.11 -1.52 0.03 0.00 0.00 0.00 0.00 46.02 44.64 1gqh n GLY 329 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1gqh h LEU 330 N 0.00 -1.00 -0.16 0.99 5.85 -1.97 -1.31 115.31 117.71 1gqh h LEU 330 Ca -0.15 0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1gqh h LEU 330 Cb 0.43 0.61 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 1gqh h LEU 330 CO 0.10 -0.30 0.08 -2.24 -0.34 0.00 0.00 178.44 175.73 1gqh h ASP 331 N -0.01 0.22 -0.08 1.25 2.03 -1.98 -0.52 116.42 117.33 1gqh h ASP 331 Ca 0.42 -0.13 -0.03 0.00 -0.73 0.00 0.00 57.03 56.55 1gqh h ASP 331 Cb 0.66 -0.06 -0.01 0.00 -0.83 0.00 0.00 39.33 39.09 1gqh h ASP 331 CO -0.95 0.29 -0.02 -0.61 -1.03 0.00 0.00 179.24 176.92 1gqh h GLN 332 N 0.13 0.28 -0.46 4.15 5.75 -1.79 -0.70 115.11 122.47 1gqh h GLN 332 Ca 0.06 -0.05 -0.08 0.00 -0.15 0.00 0.00 58.65 58.43 1gqh h GLN 332 Cb 0.13 -0.05 -0.02 0.00 1.07 0.00 0.00 27.48 28.62 1gqh h GLN 332 CO -0.01 0.32 -0.01 -0.97 -2.65 0.00 0.00 178.83 175.52 1gqh h ASN 333 N 0.27 0.80 -0.54 -0.69 -0.73 -0.64 -0.32 115.58 113.73 1gqh h ASN 333 Ca 0.06 -0.31 -0.11 0.00 1.87 0.00 0.00 56.30 57.81 1gqh h ASN 333 Cb 0.23 -0.22 -0.02 0.00 0.27 0.00 0.00 38.32 38.58 1gqh h ASN 333 CO 0.01 0.92 -0.07 -0.07 -0.37 0.00 0.00 177.43 177.85 1gqh h LEU 334 N 0.66 1.01 0.32 0.34 3.38 -0.45 -1.25 115.31 119.34 1gqh h LEU 334 Ca 0.13 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 1gqh h LEU 334 Cb 0.52 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1gqh h LEU 334 CO 0.03 1.10 -0.15 0.58 0.09 0.00 0.00 178.44 180.08 1gqh h VAL 335 N 0.92 0.69 -0.56 1.22 2.07 -0.93 -0.42 116.25 119.24 1gqh h VAL 335 Ca 0.15 -0.07 0.11 0.00 0.82 0.00 0.00 66.70 67.70 1gqh h VAL 335 Cb 0.62 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 1gqh h VAL 335 CO 0.04 0.02 0.38 0.78 0.02 0.00 0.00 177.57 178.81 1gqh h ASN 336 N -0.47 0.28 0.24 0.57 2.35 -0.96 -0.17 115.58 117.42 1gqh h ASN 336 Ca -0.04 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 1gqh h ASN 336 Cb 0.36 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.68 1gqh h ASN 336 CO 0.07 0.17 -0.20 0.61 -1.65 0.00 0.00 177.43 176.43 1gqh n GLY 337 N -1.54 -0.62 0.00 2.83 0.00 -0.48 -4.93 105.19 100.45 1gqh n GLY 337 Ca 0.09 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 1.31 5.55 3.01 -0.02 0.00 -0.08 -4.74 105.19 110.23 1gqh n GLY 338 Ca 0.13 -2.02 -0.09 0.00 0.00 0.00 0.00 46.02 44.05 1gqh n GLY 338 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1gqh s GLU 339 N 1.81 0.38 0.28 1.61 0.41 -0.66 -4.95 118.70 117.58 1gqh s GLU 339 Ca 0.00 -0.74 -0.30 0.00 -0.41 0.00 0.00 54.97 53.53 1gqh s GLU 339 Cb 0.00 0.14 -0.13 0.00 -1.78 0.00 0.00 34.13 32.35 1gqh s GLU 339 CO 0.00 -0.07 1.31 0.39 -0.49 0.00 0.00 175.26 176.40 1gqh n GLU 340 N 1.27 1.96 -4.07 1.61 1.02 -1.26 -0.46 120.64 120.70 1gqh n GLU 340 Ca -0.22 0.69 -0.14 0.00 -0.02 0.00 0.00 57.16 57.47 1gqh n GLU 340 Cb 0.56 -2.28 -0.14 0.00 -0.02 0.00 0.00 31.44 29.57 1gqh n GLU 340 CO 0.00 0.00 0.00 -0.46 1.18 0.00 0.00 177.13 177.85 1gqh s TRP 341 N -0.59 0.36 -1.04 -0.32 -0.11 -0.12 -4.71 118.94 112.41 1gqh s TRP 341 Ca 0.62 -0.13 0.18 0.00 1.22 0.00 0.00 56.10 57.99 1gqh s TRP 341 Cb -0.63 -0.23 0.67 0.00 -1.50 0.00 0.00 33.47 31.78 1gqh s TRP 341 CO 0.56 -0.02 1.59 0.43 -4.62 0.00 0.00 176.95 174.88 1gqh n SER 342 N 2.77 4.56 -4.09 5.86 7.64 -1.26 -3.97 113.62 125.12 1gqh n SER 342 Ca -0.14 -2.46 -0.10 0.00 1.01 0.00 0.00 58.87 57.18 1gqh n SER 342 Cb 0.58 -0.55 -0.11 0.00 -1.01 0.00 0.00 64.21 63.13 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 -1.01 0.77 0.16 6.43 0.15 -1.26 -4.99 113.70 113.95 1gqh s SER 343 Ca 0.48 -0.78 0.26 0.00 0.70 0.00 0.00 55.95 56.61 1gqh s SER 343 Cb 0.31 0.10 0.80 0.00 -1.71 0.00 0.00 66.02 65.53 1gqh s SER 343 CO 0.23 -0.39 1.72 1.33 1.20 0.00 0.00 173.24 177.33 1gqh n VAL 344 N 0.71 0.44 -3.97 4.45 0.24 -1.26 -4.80 118.33 114.14 1gqh n VAL 344 Ca -0.18 -0.23 -0.32 0.00 -2.04 0.00 0.00 64.34 61.57 1gqh n VAL 344 Cb 0.58 -0.48 -0.05 0.00 -1.47 0.00 0.00 33.84 32.42 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 -4.19 6.12 0.63 -1.34 0.01 -1.26 -5.03 113.70 108.64 1gqh s SER 345 Ca 0.11 0.24 -0.05 0.00 1.31 0.00 0.00 55.95 57.55 1gqh s SER 345 Cb 0.14 -1.85 0.03 0.00 0.21 0.00 0.00 66.02 64.55 1gqh s SER 345 CO 0.61 0.22 0.93 0.72 0.41 0.00 0.00 173.24 176.13 1gqh s PHE 346 N -1.37 3.07 0.74 2.43 -0.12 -1.26 -5.02 117.98 116.46 1gqh s PHE 346 Ca 0.29 0.48 -0.15 0.00 -0.05 0.00 0.00 56.93 57.50 1gqh s PHE 346 Cb -0.13 -2.92 0.05 0.00 -0.63 0.00 0.00 43.02 39.39 1gqh s PHE 346 CO 0.21 -1.06 1.23 -2.14 -0.05 0.00 0.00 175.22 173.42 1gqh s PRO 347 N -5.06 2.00 0.14 1.99 0.02 -1.26 -4.93 135.00 127.89 1gqh s PRO 347 Ca 0.57 1.86 0.26 0.00 0.02 0.00 0.00 61.00 63.70 1gqh s PRO 347 Cb -0.11 -1.81 0.95 0.00 0.02 0.00 0.00 34.50 33.56 1gqh s PRO 347 CO 0.44 -1.97 1.79 0.00 -0.33 0.00 0.00 177.00 176.94 1gqh n ALA 348 N -2.77 2.17 -2.48 -1.55 0.00 -1.26 -4.79 120.51 109.82 1gqh n ALA 348 Ca 0.14 -0.03 -0.25 0.00 0.00 0.00 0.00 53.44 53.30 1gqh n ALA 348 Cb 0.50 -1.44 -0.15 0.00 0.00 0.00 0.00 19.45 18.36 1gqh n ALA 348 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1gqh s ASP 349 N -3.93 2.28 0.00 0.00 1.01 -1.26 -5.29 116.67 109.48 1gqh s ASP 349 Ca 0.11 -0.42 0.07 0.00 0.71 0.00 0.00 52.55 53.02 1gqh s ASP 349 Cb 0.14 -0.22 0.44 0.00 1.01 0.00 0.00 42.92 44.29 1gqh s ASP 349 CO 0.53 0.19 0.90 0.79 0.21 0.00 0.00 175.17 177.79