#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rqr s PRO 9 N 0.00 3.36 0.01 2.89 0.04 -1.26 -4.83 135.00 135.21 1rqr s PRO 9 Ca 0.00 1.95 0.08 0.00 0.04 0.00 0.00 61.00 63.06 1rqr s PRO 9 Cb 0.00 -2.24 -0.02 0.00 0.04 0.00 0.00 34.50 32.28 1rqr s PRO 9 CO 0.00 -0.93 -0.23 0.42 0.04 0.00 0.00 177.00 176.30 1rqr s ILE 10 N -1.47 1.87 -0.17 0.56 1.01 -1.26 -0.76 121.20 120.98 1rqr s ILE 10 Ca 0.70 -1.13 0.01 0.00 0.00 0.00 0.00 60.65 60.23 1rqr s ILE 10 Cb -0.33 -1.58 0.02 0.00 0.01 0.00 0.00 42.46 40.58 1rqr s ILE 10 CO 0.39 0.42 -0.18 -0.63 0.00 0.00 0.00 174.94 174.93 1rqr s ILE 11 N -0.66 1.91 -0.19 2.92 1.01 -0.70 -1.96 121.20 123.52 1rqr s ILE 11 Ca 0.09 -0.85 -0.14 0.00 0.00 0.00 0.00 60.65 59.75 1rqr s ILE 11 Cb -0.09 -1.73 -0.04 0.00 0.01 0.00 0.00 42.46 40.60 1rqr s ILE 11 CO 0.00 0.52 0.32 0.00 0.00 0.00 0.00 174.94 175.78 1rqr s ALA 12 N 1.29 3.58 0.40 9.38 0.00 -0.25 -1.35 121.76 134.82 1rqr s ALA 12 Ca 0.03 -0.56 0.07 0.00 0.00 0.00 0.00 51.96 51.50 1rqr s ALA 12 Cb -0.13 -2.49 -0.08 0.00 0.00 0.00 0.00 23.12 20.42 1rqr s ALA 12 CO -0.11 -0.14 0.01 0.12 0.00 0.00 0.00 175.76 175.65 1rqr s PHE 13 N 0.96 2.52 -4.98 0.00 5.36 -0.20 -1.23 117.98 120.40 1rqr s PHE 13 Ca 0.16 -0.65 0.00 0.00 -0.96 0.00 0.00 56.93 55.48 1rqr s PHE 13 Cb -0.14 -1.76 0.00 0.00 -0.34 0.00 0.00 43.02 40.78 1rqr s PHE 13 CO 0.06 0.44 0.00 -1.13 -1.46 0.00 0.00 175.22 173.13 1rqr n SER 15 N -0.98 0.00 -1.06 6.13 3.41 -0.97 -1.24 113.62 118.91 1rqr n SER 15 Ca -0.05 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.55 1rqr n SER 15 Cb 0.67 0.00 0.21 0.00 -0.26 0.00 0.00 64.21 64.83 1rqr n SER 15 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1rqr n ASP 16 N 2.99 2.78 0.14 4.04 5.75 -1.07 -3.98 116.55 127.20 1rqr n ASP 16 Ca 0.00 -3.58 0.12 0.00 -0.01 0.00 0.00 54.79 51.32 1rqr n ASP 16 Cb 0.00 -0.61 0.14 0.00 -1.03 0.00 0.00 41.12 39.62 1rqr n ASP 16 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 1rqr h LEU 17 N 1.13 0.00 0.00 -2.12 3.38 -1.87 -3.46 115.31 112.38 1rqr h LEU 17 Ca 0.16 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.10 1rqr h LEU 17 Cb 1.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.34 1rqr h LEU 17 CO 0.34 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.49 1rqr n GLY 18 N 1.19 -0.98 0.39 0.83 0.00 0.23 -4.75 105.19 102.09 1rqr n GLY 18 Ca 0.03 -1.66 0.07 0.00 0.00 0.00 0.00 46.02 44.46 1rqr n GLY 18 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rqr n THR 19 N -1.06 1.71 0.11 2.61 -2.24 -1.26 -4.64 114.28 109.51 1rqr n THR 19 Ca 0.00 -2.34 0.11 0.00 -2.27 0.00 0.00 64.05 59.55 1rqr n THR 19 Cb 0.00 -0.09 -0.15 0.00 -2.10 0.00 0.00 70.33 67.99 1rqr n THR 19 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1rqr n THR 20 N -1.07 0.06 -3.75 4.28 -2.24 -1.26 -4.96 114.28 105.33 1rqr n THR 20 Ca 0.15 -0.45 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1rqr n THR 20 Cb 0.70 0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.99 1rqr n THR 20 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1rqr n ASP 21 N -2.22 1.15 -0.92 3.42 5.75 -1.26 -5.06 116.55 117.41 1rqr n ASP 21 Ca -0.03 -0.75 0.03 0.00 -0.01 0.00 0.00 54.79 54.03 1rqr n ASP 21 Cb 0.54 0.00 0.15 0.00 -1.03 0.00 0.00 41.12 40.79 1rqr n ASP 21 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1rqr n ASP 22 N -1.39 2.54 0.03 -1.12 5.75 -1.26 -4.58 116.55 116.54 1rqr n ASP 22 Ca 0.00 -2.28 -0.13 0.00 -0.01 0.00 0.00 54.79 52.38 1rqr n ASP 22 Cb 0.00 -0.48 -0.09 0.00 -1.03 0.00 0.00 41.12 39.52 1rqr n ASP 22 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1rqr h SER 23 N 1.61 -0.07 -1.00 -1.12 0.02 -1.89 -1.74 113.55 109.34 1rqr h SER 23 Ca 0.00 -0.30 0.15 0.00 -0.84 0.00 0.00 61.79 60.80 1rqr h SER 23 Cb 0.91 0.02 -0.09 0.00 0.14 0.00 0.00 62.40 63.38 1rqr h SER 23 CO 0.15 0.27 0.62 0.58 -1.14 0.00 0.00 176.83 177.31 1rqr h VAL 24 N -0.42 0.82 0.00 2.27 2.07 -1.82 -2.38 116.25 116.80 1rqr h VAL 24 Ca -0.01 -0.31 -0.10 0.00 0.82 0.00 0.00 66.70 67.11 1rqr h VAL 24 Cb 0.37 -0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 29.98 1rqr h VAL 24 CO 0.01 0.16 -0.46 0.00 0.02 0.00 0.00 177.57 177.31 1rqr h ALA 25 N 1.59 1.17 -0.30 1.67 0.00 -1.75 -1.03 119.26 120.62 1rqr h ALA 25 Ca 0.53 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 1rqr h ALA 25 Cb 0.68 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1rqr h ALA 25 CO -0.32 0.57 0.09 1.96 0.00 0.00 0.00 179.25 181.56 1rqr h GLN 26 N 0.00 0.46 -0.73 0.00 4.20 -0.80 -0.61 115.11 117.64 1rqr h GLN 26 Ca -0.00 -0.10 -0.05 0.00 0.06 0.00 0.00 58.65 58.55 1rqr h GLN 26 Cb 0.85 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.53 1rqr h GLN 26 CO 0.06 0.52 0.24 0.00 -0.67 0.00 0.00 178.83 178.98 1rqr h LYS 28 N 1.07 0.02 -0.85 0.00 1.57 -1.09 -2.93 116.57 114.35 1rqr h LYS 28 Ca 0.24 -0.00 0.17 0.00 -1.87 0.00 0.00 60.65 59.19 1rqr h LYS 28 Cb 0.28 -0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.49 1rqr h LYS 28 CO -0.01 0.19 0.40 0.78 -0.57 0.00 0.00 179.45 180.24 1rqr h GLY 29 N -0.17 1.39 -1.97 3.86 0.00 -1.02 -1.20 103.07 103.97 1rqr h GLY 29 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1rqr h GLY 29 CO -0.00 -0.13 0.00 1.04 0.00 0.00 0.00 176.54 177.45 1rqr n LEU 30 N -4.96 1.49 0.00 3.11 4.77 -0.99 -1.98 117.00 118.44 1rqr n LEU 30 Ca 0.18 -0.74 0.00 0.00 -0.03 0.00 0.00 56.01 55.42 1rqr n LEU 30 Cb 0.51 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 1rqr n LEU 30 CO 0.18 0.25 0.00 -1.22 -1.33 0.00 0.00 177.39 175.26 1rqr n TYR 32 N 0.73 0.00 -0.06 -1.77 4.01 -0.45 -1.79 117.16 117.83 1rqr n TYR 32 Ca 0.00 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.61 1rqr n TYR 32 Cb 0.25 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.21 1rqr n TYR 32 CO 0.00 0.00 0.00 0.77 -0.46 0.00 0.00 176.86 177.17 1rqr h SER 33 N 0.00 0.46 0.58 7.72 0.02 -1.64 -3.13 113.55 117.57 1rqr h SER 33 Ca 0.00 -0.48 -0.25 0.00 -0.84 0.00 0.00 61.79 60.21 1rqr h SER 33 Cb 0.00 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 62.41 1rqr h SER 33 CO 0.00 0.85 -1.13 0.40 -1.14 0.00 0.00 176.83 175.81 1rqr h ILE 34 N 0.08 1.49 -2.64 3.27 2.04 -1.64 -3.40 117.51 116.71 1rqr h ILE 34 Ca 0.03 -2.90 -0.60 0.00 1.00 0.00 0.00 64.86 62.39 1rqr h ILE 34 Cb 0.73 2.78 -0.39 0.00 -0.74 0.00 0.00 36.82 39.20 1rqr h ILE 34 CO 0.05 0.85 -0.84 0.00 0.00 0.00 0.00 178.15 178.21 1rqr h PRO 36 N 5.83 0.00 -0.01 0.00 0.11 -1.77 -1.81 132.00 134.34 1rqr h PRO 36 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 1rqr h PRO 36 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1rqr h PRO 36 CO 0.46 0.00 -0.15 -0.25 -0.21 0.00 0.00 178.00 177.85 1rqr n ASP 37 N -3.26 1.63 -4.76 -2.05 8.00 -1.26 -4.99 116.55 109.86 1rqr n ASP 37 Ca -0.02 -1.37 -0.37 0.00 0.71 0.00 0.00 54.79 53.74 1rqr n ASP 37 Cb 0.19 0.11 0.02 0.00 -0.02 0.00 0.00 41.12 41.41 1rqr n ASP 37 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1rqr s VAL 38 N -2.23 2.69 -0.20 2.53 0.11 -0.68 -4.33 120.40 118.28 1rqr s VAL 38 Ca 0.29 0.47 -0.04 0.00 -2.93 0.00 0.00 61.98 59.77 1rqr s VAL 38 Cb 0.20 -3.22 -0.02 0.00 -1.53 0.00 0.00 36.38 31.81 1rqr s VAL 38 CO 0.42 -0.05 -0.02 -0.89 -3.33 0.00 0.00 175.10 171.24 1rqr s THR 39 N -1.52 3.79 -0.37 5.04 2.01 0.06 -4.99 115.64 119.66 1rqr s THR 39 Ca 0.71 -0.37 -0.15 0.00 0.31 0.00 0.00 61.69 62.19 1rqr s THR 39 Cb -0.32 -2.71 -0.00 0.00 0.01 0.00 0.00 72.50 69.49 1rqr s THR 39 CO 0.36 0.43 0.35 -0.69 -0.69 0.00 0.00 174.62 174.38 1rqr s VAL 40 N 1.05 5.19 -0.28 3.82 1.01 -1.26 -1.73 120.40 128.19 1rqr s VAL 40 Ca 0.02 -0.20 -0.11 0.00 0.00 0.00 0.00 61.98 61.68 1rqr s VAL 40 Cb -0.14 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.32 1rqr s VAL 40 CO 0.01 -0.19 0.18 -0.69 0.00 0.00 0.00 175.10 174.42 1rqr s VAL 41 N 1.94 5.23 0.20 2.92 1.01 -0.46 -4.99 120.40 126.26 1rqr s VAL 41 Ca 0.10 0.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.90 1rqr s VAL 41 Cb -0.17 -3.50 -0.09 0.00 0.00 0.00 0.00 36.38 32.61 1rqr s VAL 41 CO 0.12 0.24 1.38 -1.81 0.00 0.00 0.00 175.10 175.03 1rqr s ASP 42 N 1.75 6.79 0.00 3.32 1.01 -1.26 -1.03 116.67 127.25 1rqr s ASP 42 Ca 0.07 2.49 0.00 0.00 0.71 0.00 0.00 52.55 55.82 1rqr s ASP 42 Cb -0.16 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.16 1rqr s ASP 42 CO 0.10 -0.62 0.00 0.52 0.21 0.00 0.00 175.17 175.39 1rqr n VAL 43 N 2.80 0.00 -3.64 -1.27 0.31 -0.37 -4.82 118.33 111.33 1rqr n VAL 43 Ca 0.08 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.29 1rqr n VAL 43 Cb 0.42 -0.27 -0.06 0.00 -0.91 0.00 0.00 33.84 33.02 1rqr n VAL 43 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rqr n HIS 45 N 0.23 0.00 -3.52 0.00 8.25 -1.26 -2.30 115.22 116.62 1rqr n HIS 45 Ca -0.18 -0.49 -0.39 0.00 -0.26 0.00 0.00 57.72 56.41 1rqr n HIS 45 Cb 0.61 -0.07 -0.10 0.00 1.12 0.00 0.00 29.99 31.55 1rqr n HIS 45 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1rqr s SER 46 N -1.28 6.09 -0.25 0.41 0.01 -1.26 -0.60 113.70 116.82 1rqr s SER 46 Ca 0.08 -0.01 -0.18 0.00 1.31 0.00 0.00 55.95 57.15 1rqr s SER 46 Cb 0.07 -2.15 -0.03 0.00 0.21 0.00 0.00 66.02 64.12 1rqr s SER 46 CO 0.01 -0.13 0.53 -0.89 0.41 0.00 0.00 173.24 173.17 1rqr s THR 48 N 1.85 5.06 0.17 1.44 2.01 -1.26 -5.03 115.64 119.88 1rqr s THR 48 Ca 0.09 0.93 -0.33 0.00 0.31 0.00 0.00 61.69 62.70 1rqr s THR 48 Cb -0.16 -3.85 -0.16 0.00 0.01 0.00 0.00 72.50 68.34 1rqr s THR 48 CO 0.11 0.09 1.06 -2.65 -0.69 0.00 0.00 174.62 172.54 1rqr n PRO 49 N 5.44 0.93 -0.94 4.92 -0.02 -1.26 -2.52 135.00 141.54 1rqr n PRO 49 Ca -0.04 0.33 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 1rqr n PRO 49 Cb 0.50 -1.76 0.00 0.00 -0.02 0.00 0.00 33.50 32.22 1rqr n PRO 49 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 1rqr n TRP 50 N 1.21 0.00 -3.01 6.00 8.01 -1.26 -4.93 117.44 123.45 1rqr n TRP 50 Ca 0.15 0.00 -0.44 0.00 -1.31 0.00 0.00 57.50 55.90 1rqr n TRP 50 Cb 0.24 -0.13 -0.01 0.00 -2.01 0.00 0.00 31.31 29.39 1rqr n TRP 50 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.69 177.02 1rqr s ASP 51 N -2.92 6.87 0.48 -0.99 -1.08 -1.05 -4.89 116.67 113.09 1rqr s ASP 51 Ca 0.00 -2.60 0.26 0.00 -0.52 0.00 0.00 52.55 49.69 1rqr s ASP 51 Cb 0.00 -2.36 1.16 0.00 -1.46 0.00 0.00 42.92 40.25 1rqr s ASP 51 CO 0.00 -0.82 1.93 -0.37 0.52 0.00 0.00 175.17 176.43 1rqr h VAL 52 N 5.10 0.53 -0.08 1.11 -1.51 -1.92 -2.35 116.25 117.14 1rqr h VAL 52 Ca 0.21 -0.87 -0.15 0.00 -1.23 0.00 0.00 66.70 64.66 1rqr h VAL 52 Cb 0.96 1.59 -0.01 0.00 -2.13 0.00 0.00 31.29 31.70 1rqr h VAL 52 CO 1.11 0.17 -0.59 -0.33 -1.23 0.00 0.00 177.57 176.70 1rqr h GLU 53 N 0.00 0.26 -0.07 5.19 3.07 -1.93 -2.58 114.58 118.51 1rqr h GLU 53 Ca -0.00 -0.18 -0.04 0.00 -0.50 0.00 0.00 59.36 58.64 1rqr h GLU 53 Cb 0.58 0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 28.51 1rqr h GLU 53 CO 0.02 0.78 -0.11 1.49 -1.40 0.00 0.00 179.01 179.79 1rqr h GLU 54 N 0.20 0.20 -0.70 2.33 4.81 -1.83 -3.06 114.58 116.53 1rqr h GLU 54 Ca -0.00 -0.12 0.14 0.00 -0.13 0.00 0.00 59.36 59.24 1rqr h GLU 54 Cb 1.09 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 30.39 1rqr h GLU 54 CO 0.09 0.68 0.22 0.78 -0.73 0.00 0.00 179.01 180.06 1rqr h GLY 55 N -0.25 1.00 0.90 1.92 0.00 -1.44 -2.65 103.07 102.55 1rqr h GLY 55 Ca 0.01 -0.09 0.03 0.00 0.00 0.00 0.00 47.33 47.27 1rqr h GLY 55 CO 0.03 -0.12 0.48 0.00 0.00 0.00 0.00 176.54 176.92 1rqr h ALA 56 N 1.54 0.97 -0.02 3.60 0.00 -1.44 -1.95 119.26 121.95 1rqr h ALA 56 Ca 0.38 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.25 1rqr h ALA 56 Cb 0.59 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1rqr h ALA 56 CO -0.42 0.29 -0.06 0.00 0.00 0.00 0.00 179.25 179.06 1rqr h ARG 57 N 0.94 0.03 0.00 0.00 3.08 -1.37 -1.57 114.38 115.49 1rqr h ARG 57 Ca 0.29 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 1rqr h ARG 57 Cb -0.02 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.03 1rqr h ARG 57 CO -0.10 0.09 0.00 1.88 -1.07 0.00 0.00 179.97 180.77 1rqr h TYR 58 N 0.03 0.00 0.00 3.04 0.05 -1.29 -3.36 116.97 115.43 1rqr h TYR 58 Ca 0.01 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1rqr h TYR 58 Cb 0.12 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.86 1rqr h TYR 58 CO 0.00 0.00 -0.55 0.44 -1.05 0.00 0.00 178.16 177.00 1rqr n ILE 59 N -2.48 0.00 0.05 -2.88 -5.35 -0.86 -4.78 119.36 103.06 1rqr n ILE 59 Ca 0.04 -0.25 -0.08 0.00 -0.27 0.00 0.00 62.75 62.19 1rqr n ILE 59 Cb 0.37 0.74 0.07 0.00 -1.74 0.00 0.00 39.64 39.08 1rqr n ILE 59 CO 0.00 0.00 0.00 1.62 -1.76 0.00 0.00 176.55 176.41 1rqr h VAL 60 N 0.00 1.37 -0.01 7.28 3.04 -1.45 -3.17 116.25 123.30 1rqr h VAL 60 Ca 0.00 -2.00 0.00 0.00 -1.01 0.00 0.00 66.70 63.69 1rqr h VAL 60 Cb 0.04 1.99 0.00 0.00 -2.01 0.00 0.00 31.29 31.31 1rqr h VAL 60 CO 0.00 0.60 -0.12 0.47 -1.01 0.00 0.00 177.57 177.52 1rqr n ASP 61 N -3.88 1.08 -0.15 3.17 8.00 -1.26 -4.58 116.55 118.93 1rqr n ASP 61 Ca -0.03 -1.10 -0.10 0.00 0.71 0.00 0.00 54.79 54.27 1rqr n ASP 61 Cb 0.65 0.04 0.03 0.00 -0.02 0.00 0.00 41.12 41.82 1rqr n ASP 61 CO 0.00 0.00 0.00 -0.07 -0.39 0.00 0.00 177.20 176.74 1rqr h LEU 62 N 1.51 0.98 -0.74 0.64 3.38 -1.86 -3.38 115.31 115.83 1rqr h LEU 62 Ca 0.00 -0.35 0.14 0.00 0.09 0.00 0.00 57.88 57.76 1rqr h LEU 62 Cb 0.45 -0.27 -0.09 0.00 0.09 0.00 0.00 40.66 40.84 1rqr h LEU 62 CO 0.00 1.13 0.30 -0.65 0.09 0.00 0.00 178.44 179.31 1rqr h PRO 63 N 0.84 0.44 0.00 1.13 0.11 -1.82 -2.05 132.00 130.64 1rqr h PRO 63 Ca 0.12 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.18 1rqr h PRO 63 Cb 0.74 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.75 1rqr h PRO 63 CO 0.06 0.29 -0.11 0.07 -0.21 0.00 0.00 178.00 178.10 1rqr h ARG 64 N 0.45 0.00 0.00 1.05 0.11 -1.74 -2.44 114.38 111.81 1rqr h ARG 64 Ca 0.40 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.40 1rqr h ARG 64 Cb 0.60 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.66 1rqr h ARG 64 CO -0.39 0.11 -0.41 0.74 0.10 0.00 0.00 179.97 180.12 1rqr h PHE 65 N 0.00 0.00 -2.73 4.08 0.04 -1.62 -3.41 116.94 113.30 1rqr h PHE 65 Ca -0.00 0.00 -0.54 0.00 2.80 0.00 0.00 57.97 60.22 1rqr h PHE 65 Cb 0.48 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.61 1rqr h PHE 65 CO 0.00 0.41 -0.40 -0.06 -0.60 0.00 0.00 178.31 177.66 1rqr s PHE 66 N -3.36 3.49 0.67 -0.55 0.08 -0.92 -5.08 117.98 112.30 1rqr s PHE 66 Ca 0.02 0.24 -0.17 0.00 0.12 0.00 0.00 56.93 57.13 1rqr s PHE 66 Cb 0.10 -1.77 0.00 0.00 -0.57 0.00 0.00 43.02 40.78 1rqr s PHE 66 CO 0.70 0.45 1.28 -2.14 -0.10 0.00 0.00 175.22 175.41 1rqr s PRO 67 N -3.22 2.45 0.34 0.24 0.02 -1.26 -4.94 135.00 128.63 1rqr s PRO 67 Ca 0.37 2.00 -0.29 0.00 0.02 0.00 0.00 61.00 63.10 1rqr s PRO 67 Cb -0.11 -1.84 -0.11 0.00 0.02 0.00 0.00 34.50 32.46 1rqr s PRO 67 CO 0.29 -1.66 1.47 -1.21 -0.33 0.00 0.00 177.00 175.56 1rqr s GLU 68 N -3.48 4.17 0.00 5.54 2.02 -1.26 -2.28 118.70 123.40 1rqr s GLU 68 Ca 0.81 2.48 0.00 0.00 0.02 0.00 0.00 54.97 58.28 1rqr s GLU 68 Cb -0.36 -3.01 0.00 0.00 0.10 0.00 0.00 34.13 30.86 1rqr s GLU 68 CO 0.41 -0.48 0.00 0.41 0.02 0.00 0.00 175.26 175.62 1rqr n GLY 69 N 1.07 2.10 3.77 -1.39 0.00 -0.16 -5.05 105.19 105.53 1rqr n GLY 69 Ca 0.03 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.65 1rqr n GLY 69 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rqr s THR 70 N -2.43 2.33 -0.13 2.61 2.01 -0.97 -4.79 115.64 114.28 1rqr s THR 70 Ca 0.00 0.31 -0.02 0.00 0.31 0.00 0.00 61.69 62.29 1rqr s THR 70 Cb 0.00 -3.18 -0.02 0.00 0.01 0.00 0.00 72.50 69.30 1rqr s THR 70 CO 0.00 0.05 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.22 1rqr s VAL 71 N -1.20 3.59 -0.36 3.82 1.01 -0.83 -2.92 120.40 123.51 1rqr s VAL 71 Ca 0.56 -0.48 -0.08 0.00 0.00 0.00 0.00 61.98 61.99 1rqr s VAL 71 Cb -0.42 -2.53 0.04 0.00 0.00 0.00 0.00 36.38 33.47 1rqr s VAL 71 CO 0.55 0.52 0.15 -0.36 0.00 0.00 0.00 175.10 175.96 1rqr s PHE 72 N 0.14 3.26 -0.42 5.22 0.08 0.59 -1.09 117.98 125.76 1rqr s PHE 72 Ca -0.03 -1.30 -0.22 0.00 0.12 0.00 0.00 56.93 55.50 1rqr s PHE 72 Cb -0.14 -2.38 0.02 0.00 -0.57 0.00 0.00 43.02 39.95 1rqr s PHE 72 CO 0.04 -0.72 0.70 0.00 -0.10 0.00 0.00 175.22 175.14 1rqr s ALA 73 N 1.45 3.35 -0.12 5.36 0.00 -0.37 -1.42 121.76 130.01 1rqr s ALA 73 Ca -0.00 -1.05 -0.00 0.00 0.00 0.00 0.00 51.96 50.91 1rqr s ALA 73 Cb -0.20 -3.34 0.03 0.00 0.00 0.00 0.00 23.12 19.61 1rqr s ALA 73 CO 0.04 -1.74 -0.07 0.95 0.00 0.00 0.00 175.76 174.94 1rqr s THR 74 N 2.97 1.03 -0.20 0.00 -4.23 -0.91 -4.12 115.64 110.18 1rqr s THR 74 Ca 0.26 -0.31 -0.08 0.00 -1.18 0.00 0.00 61.69 60.38 1rqr s THR 74 Cb -0.13 -1.06 0.08 0.00 1.34 0.00 0.00 72.50 72.73 1rqr s THR 74 CO 0.19 0.35 0.43 0.28 -0.54 0.00 0.00 174.62 175.34 1rqr s THR 75 N 1.70 -0.50 -0.10 3.99 -1.32 -1.26 -4.14 115.64 114.01 1rqr s THR 75 Ca 0.05 0.14 0.01 0.00 -1.21 0.00 0.00 61.69 60.68 1rqr s THR 75 Cb -0.13 -0.67 0.02 0.00 -1.51 0.00 0.00 72.50 70.21 1rqr s THR 75 CO -0.08 0.06 -0.12 0.28 -2.21 0.00 0.00 174.62 172.55 1rqr s THR 76 N 2.32 1.22 -0.57 5.08 -1.32 -1.26 -2.58 115.64 118.53 1rqr s THR 76 Ca -0.04 -0.47 0.07 0.00 -1.21 0.00 0.00 61.69 60.04 1rqr s THR 76 Cb -0.11 -1.15 0.25 0.00 -1.51 0.00 0.00 72.50 69.97 1rqr s THR 76 CO -0.13 0.39 0.68 0.00 -2.21 0.00 0.00 174.62 173.35 1rqr n TYR 77 N 4.34 2.53 0.27 9.09 9.36 -1.26 -4.80 117.16 136.69 1rqr n TYR 77 Ca -0.18 -3.99 0.16 0.00 3.32 0.00 0.00 57.90 57.21 1rqr n TYR 77 Cb 0.51 -0.50 0.91 0.00 -0.63 0.00 0.00 39.34 39.63 1rqr n TYR 77 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 1rqr h PRO 78 N 4.15 0.00 -0.80 2.98 0.13 -1.99 -2.40 132.00 134.07 1rqr h PRO 78 Ca 0.16 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.25 1rqr h PRO 78 Cb 0.72 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.83 1rqr h PRO 78 CO 0.73 0.00 0.05 0.00 -0.23 0.00 0.00 178.00 178.55 1rqr n ALA 79 N -2.30 3.43 -1.76 -0.56 0.00 -1.26 -4.98 120.51 113.07 1rqr n ALA 79 Ca -0.02 -1.16 -0.41 0.00 0.00 0.00 0.00 53.44 51.85 1rqr n ALA 79 Cb 0.16 -1.10 -0.01 0.00 0.00 0.00 0.00 19.45 18.50 1rqr n ALA 79 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1rqr n THR 80 N 0.24 1.52 -0.25 0.00 5.66 -0.91 -2.15 114.28 118.39 1rqr n THR 80 Ca 0.18 -0.38 0.00 0.00 -3.05 0.00 0.00 64.05 60.80 1rqr n THR 80 Cb 0.84 -1.99 0.00 0.00 -1.55 0.00 0.00 70.33 67.63 1rqr n THR 80 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1rqr n GLY 81 N 1.29 1.24 3.35 1.09 0.00 -0.14 -4.77 105.19 107.25 1rqr n GLY 81 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 1rqr n GLY 81 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rqr n THR 82 N -2.00 0.00 1.36 2.61 -2.24 -0.91 -4.97 114.28 108.13 1rqr n THR 82 Ca 0.00 -1.37 0.14 0.00 -2.27 0.00 0.00 64.05 60.55 1rqr n THR 82 Cb 0.00 -0.94 0.72 0.00 -2.10 0.00 0.00 70.33 68.00 1rqr n THR 82 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1rqr n THR 83 N -2.63 0.08 -0.67 4.28 -2.24 -1.26 -4.85 114.28 106.99 1rqr n THR 83 Ca 0.14 0.02 -0.31 0.00 -2.27 0.00 0.00 64.05 61.63 1rqr n THR 83 Cb 0.51 -0.56 0.17 0.00 -2.10 0.00 0.00 70.33 68.35 1rqr n THR 83 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 1rqr n THR 84 N -1.26 0.00 -3.99 4.28 5.66 -1.26 -5.04 114.28 112.67 1rqr n THR 84 Ca 0.14 -0.05 -0.09 0.00 -3.05 0.00 0.00 64.05 60.99 1rqr n THR 84 Cb 0.21 -0.95 -0.11 0.00 -1.55 0.00 0.00 70.33 67.93 1rqr n THR 84 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 1rqr s ARG 85 N -4.49 0.35 0.90 1.09 1.81 -1.26 -5.02 118.95 112.31 1rqr s ARG 85 Ca 0.66 -0.65 -0.11 0.00 -1.72 0.00 0.00 55.73 53.91 1rqr s ARG 85 Cb -0.23 0.07 0.13 0.00 -0.45 0.00 0.00 34.95 34.47 1rqr s ARG 85 CO 0.60 -0.04 1.09 -1.12 -0.68 0.00 0.00 175.30 175.15 1rqr s SER 86 N -1.52 3.41 0.03 0.23 0.01 -1.26 -4.05 113.70 110.54 1rqr s SER 86 Ca -0.15 1.62 0.08 0.00 1.31 0.00 0.00 55.95 58.82 1rqr s SER 86 Cb -0.09 -2.28 -0.03 0.00 0.21 0.00 0.00 66.02 63.83 1rqr s SER 86 CO -0.01 -2.70 -0.24 0.54 0.41 0.00 0.00 173.24 171.24 1rqr s VAL 87 N -2.86 2.29 -0.08 3.43 0.11 -0.41 -0.86 120.40 122.01 1rqr s VAL 87 Ca 0.64 -1.27 0.01 0.00 -2.93 0.00 0.00 61.98 58.43 1rqr s VAL 87 Cb -0.19 -1.89 0.02 0.00 -1.53 0.00 0.00 36.38 32.79 1rqr s VAL 87 CO 0.57 0.41 -0.11 0.00 -3.33 0.00 0.00 175.10 172.65 1rqr s ALA 88 N -0.79 1.31 -0.04 1.54 0.00 -0.21 -1.55 121.76 122.02 1rqr s ALA 88 Ca 0.12 -0.48 0.03 0.00 0.00 0.00 0.00 51.96 51.63 1rqr s ALA 88 Cb -0.10 -0.70 0.01 0.00 0.00 0.00 0.00 23.12 22.33 1rqr s ALA 88 CO 0.02 -0.07 -0.12 0.14 0.00 0.00 0.00 175.76 175.73 1rqr s VAL 89 N 1.02 1.01 -0.37 0.00 -7.23 -0.38 -1.34 120.40 113.11 1rqr s VAL 89 Ca -0.08 -0.46 -0.22 0.00 -1.81 0.00 0.00 61.98 59.41 1rqr s VAL 89 Cb -0.15 -0.90 0.01 0.00 0.56 0.00 0.00 36.38 35.90 1rqr s VAL 89 CO -0.01 0.31 0.73 -0.60 -0.31 0.00 0.00 175.10 175.23 1rqr s ARG 90 N 0.31 3.70 0.62 4.82 3.52 -0.75 -1.81 118.95 129.36 1rqr s ARG 90 Ca -0.07 0.19 -0.15 0.00 -0.13 0.00 0.00 55.73 55.57 1rqr s ARG 90 Cb -0.11 -3.82 -0.02 0.00 -1.56 0.00 0.00 34.95 29.43 1rqr s ARG 90 CO 0.02 -0.84 1.07 0.96 -0.81 0.00 0.00 175.30 175.70 1rqr s ILE 91 N 2.98 3.70 0.00 4.11 -4.36 -0.88 -0.90 121.20 125.86 1rqr s ILE 91 Ca 0.29 0.78 0.00 0.00 -0.26 0.00 0.00 60.65 61.46 1rqr s ILE 91 Cb -0.14 -3.32 0.00 0.00 1.25 0.00 0.00 42.46 40.26 1rqr s ILE 91 CO 0.17 -0.50 0.00 1.17 0.24 0.00 0.00 174.94 176.01 1rqr n LYS 92 N -2.21 0.00 -3.23 0.37 4.81 -1.08 -3.05 118.16 113.77 1rqr n LYS 92 Ca 0.09 0.00 -0.38 0.00 -0.87 0.00 0.00 58.31 57.15 1rqr n LYS 92 Cb 0.53 -0.38 -0.06 0.00 0.02 0.00 0.00 35.03 35.14 1rqr n LYS 92 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 1rqr s GLN 93 N 0.00 4.37 0.43 1.64 -1.52 -0.07 -1.29 119.66 123.22 1rqr s GLN 93 Ca 0.00 0.59 0.15 0.00 -1.95 0.00 0.00 55.36 54.15 1rqr s GLN 93 Cb 0.00 -3.43 0.96 0.00 -0.22 0.00 0.00 33.01 30.32 1rqr s GLN 93 CO 0.00 0.14 1.95 0.00 -0.25 0.00 0.00 175.29 177.13 1rqr h ALA 94 N 6.68 1.58 -2.08 6.09 0.00 -1.84 -3.41 119.26 126.28 1rqr h ALA 94 Ca -0.41 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.29 1rqr h ALA 94 Cb 1.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1rqr h ALA 94 CO 0.75 0.28 -0.50 0.00 0.00 0.00 0.00 179.25 179.79 1rqr n ALA 95 N -2.48 -2.20 -1.45 0.00 0.00 -1.26 -4.15 120.51 108.98 1rqr n ALA 95 Ca -0.02 0.25 -0.31 0.00 0.00 0.00 0.00 53.44 53.35 1rqr n ALA 95 Cb 0.29 -1.00 0.07 0.00 0.00 0.00 0.00 19.45 18.81 1rqr n ALA 95 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1rqr s LYS 96 N -3.74 2.67 0.00 0.00 1.02 -1.26 -4.69 119.74 113.74 1rqr s LYS 96 Ca 0.00 1.06 0.00 0.00 0.02 0.00 0.00 55.97 57.05 1rqr s LYS 96 Cb 0.00 -1.95 0.00 0.00 -0.52 0.00 0.00 37.83 35.36 1rqr s LYS 96 CO 0.00 -1.31 0.00 0.41 -0.92 0.00 0.00 175.35 173.53 1rqr n GLY 97 N -1.62 3.03 0.00 -3.33 0.00 -0.98 -4.75 105.19 97.54 1rqr n GLY 97 Ca 0.08 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.86 1rqr n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rqr n GLY 98 N 0.00 -0.44 0.25 -0.02 0.00 -1.25 -1.60 105.19 102.13 1rqr n GLY 98 Ca 0.00 -1.82 0.17 0.00 0.00 0.00 0.00 46.02 44.37 1rqr n GLY 98 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rqr h ALA 99 N 0.00 1.00 0.00 4.61 0.00 -1.75 -3.21 119.26 119.91 1rqr h ALA 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1rqr h ALA 99 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1rqr h ALA 99 CO 0.00 0.00 -1.13 -2.13 0.00 0.00 0.00 179.25 175.99 1rqr n ARG 100 N -2.84 0.61 -1.66 0.00 0.63 -1.26 -4.90 116.66 107.24 1rqr n ARG 100 Ca -0.00 -0.04 -0.01 0.00 -0.92 0.00 0.00 57.85 56.88 1rqr n ARG 100 Cb 0.21 -1.08 -0.01 0.00 0.45 0.00 0.00 32.46 32.03 1rqr n ARG 100 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1rqr n GLY 101 N 2.13 -3.29 3.47 5.14 0.00 -1.01 -5.04 105.19 106.57 1rqr n GLY 101 Ca -0.01 -0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 1rqr n GLY 101 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1rqr s GLN 102 N -0.94 1.02 0.69 1.61 -2.07 -0.63 -4.83 119.66 114.50 1rqr s GLN 102 Ca -0.04 -0.37 -0.16 0.00 -1.82 0.00 0.00 55.36 52.97 1rqr s GLN 102 Cb 0.00 0.47 0.02 0.00 -1.09 0.00 0.00 33.01 32.41 1rqr s GLN 102 CO 0.12 -0.44 1.18 -1.58 -1.32 0.00 0.00 175.29 173.24 1rqr s TRP 103 N -3.38 2.25 0.26 9.60 0.23 -1.26 -2.32 118.94 124.33 1rqr s TRP 103 Ca 0.03 1.58 -0.11 0.00 -2.03 0.00 0.00 56.10 55.56 1rqr s TRP 103 Cb -0.01 -3.39 -0.08 0.00 0.03 0.00 0.00 33.47 30.03 1rqr s TRP 103 CO -0.11 -2.29 0.61 0.00 0.96 0.00 0.00 176.95 176.12 1rqr s ALA 104 N -2.03 3.49 0.00 0.98 0.00 -1.26 -4.62 121.76 118.32 1rqr s ALA 104 Ca 0.73 -0.17 0.00 0.00 0.00 0.00 0.00 51.96 52.52 1rqr s ALA 104 Cb -0.27 -2.54 0.00 0.00 0.00 0.00 0.00 23.12 20.31 1rqr s ALA 104 CO 0.42 0.45 0.00 0.41 0.00 0.00 0.00 175.76 177.05 1rqr n GLY 105 N -0.17 -0.38 3.76 0.00 0.00 -1.26 -0.62 105.19 106.52 1rqr n GLY 105 Ca 0.01 -2.27 -0.32 0.00 0.00 0.00 0.00 46.02 43.43 1rqr n GLY 105 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rqr s SER 106 N -0.69 4.75 0.69 1.61 1.04 -1.26 -4.21 113.70 115.63 1rqr s SER 106 Ca 0.00 1.99 0.00 0.00 0.48 0.00 0.00 55.95 58.42 1rqr s SER 106 Cb 0.00 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.57 1rqr s SER 106 CO 0.00 -1.87 0.00 0.61 0.98 0.00 0.00 173.24 172.96 1rqr n GLY 107 N -0.61 2.11 0.00 7.32 0.00 -1.26 -2.20 105.19 110.54 1rqr n GLY 107 Ca 0.10 -0.55 0.10 0.00 0.00 0.00 0.00 46.02 45.67 1rqr n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rqr n ALA 108 N 8.76 2.10 0.00 4.61 0.00 -1.26 -5.00 120.51 129.72 1rqr n ALA 108 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.34 1rqr n ALA 108 Cb 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.11 1rqr n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rqr n GLY 109 N 0.46 1.61 3.49 0.00 0.00 -0.94 -4.61 105.19 105.21 1rqr n GLY 109 Ca 0.10 -1.98 -0.43 0.00 0.00 0.00 0.00 46.02 43.71 1rqr n GLY 109 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1rqr s PHE 110 N -2.24 3.19 0.07 1.61 0.08 0.21 -4.91 117.98 115.98 1rqr s PHE 110 Ca 0.00 -0.37 -0.30 0.00 0.12 0.00 0.00 56.93 56.38 1rqr s PHE 110 Cb 0.00 -2.82 -0.05 0.00 -0.57 0.00 0.00 43.02 39.58 1rqr s PHE 110 CO 0.00 -0.65 0.98 -2.00 -0.10 0.00 0.00 175.22 173.45 1rqr s GLU 111 N 2.05 4.64 -0.19 0.44 2.12 -1.26 -4.47 118.70 122.02 1rqr s GLU 111 Ca 0.11 1.47 -0.04 0.00 0.36 0.00 0.00 54.97 56.86 1rqr s GLU 111 Cb -0.17 -3.40 -0.02 0.00 0.26 0.00 0.00 34.13 30.80 1rqr s GLU 111 CO 0.13 0.10 -0.02 1.03 -0.54 0.00 0.00 175.26 175.95 1rqr s ARG 112 N 0.36 3.57 0.69 4.30 1.81 -1.26 -5.10 118.95 123.32 1rqr s ARG 112 Ca 0.49 -0.55 -0.16 0.00 -1.72 0.00 0.00 55.73 53.79 1rqr s ARG 112 Cb -0.23 -3.00 0.01 0.00 -0.45 0.00 0.00 34.95 31.28 1rqr s ARG 112 CO 0.29 0.04 1.23 0.00 -0.68 0.00 0.00 175.30 176.18 1rqr s ALA 113 N 0.91 2.26 0.83 2.13 0.00 -1.26 -4.66 121.76 121.97 1rqr s ALA 113 Ca 0.00 0.98 -0.11 0.00 0.00 0.00 0.00 51.96 52.83 1rqr s ALA 113 Cb -0.14 -3.48 0.09 0.00 0.00 0.00 0.00 23.12 19.58 1rqr s ALA 113 CO 0.01 -1.68 1.10 -1.21 0.00 0.00 0.00 175.76 173.98 1rqr s GLU 114 N -3.69 1.77 -1.43 0.00 2.02 -1.26 -3.99 118.70 112.12 1rqr s GLU 114 Ca 0.77 1.12 -0.01 0.00 0.02 0.00 0.00 54.97 56.87 1rqr s GLU 114 Cb -0.31 -1.84 0.00 0.00 0.10 0.00 0.00 34.13 32.07 1rqr s GLU 114 CO 0.42 -1.97 0.10 0.41 0.02 0.00 0.00 175.26 174.24 1rqr n GLY 115 N -0.96 -0.33 0.31 -1.39 0.00 -0.41 -4.92 105.19 97.48 1rqr n GLY 115 Ca 0.09 -0.14 0.06 0.00 0.00 0.00 0.00 46.02 46.03 1rqr n GLY 115 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1rqr n SER 116 N -1.38 1.47 -4.09 1.61 7.64 -1.26 -4.90 113.62 112.71 1rqr n SER 116 Ca -0.18 -1.23 -0.15 0.00 1.01 0.00 0.00 58.87 58.31 1rqr n SER 116 Cb 0.64 0.42 -0.12 0.00 -1.01 0.00 0.00 64.21 64.15 1rqr n SER 116 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1rqr s TYR 117 N -1.55 0.83 -0.04 1.43 2.02 -1.26 -0.98 117.35 117.80 1rqr s TYR 117 Ca 0.11 -0.44 0.06 0.00 -0.37 0.00 0.00 57.07 56.43 1rqr s TYR 117 Cb 0.10 -0.49 -0.01 0.00 -0.40 0.00 0.00 41.96 41.16 1rqr s TYR 117 CO 0.31 -0.03 -0.21 0.42 -1.57 0.00 0.00 175.55 174.46 1rqr s ILE 118 N -1.18 1.70 -0.05 2.71 1.01 -1.15 -2.07 121.20 122.17 1rqr s ILE 118 Ca -0.06 -0.88 0.02 0.00 0.00 0.00 0.00 60.65 59.73 1rqr s ILE 118 Cb -0.09 -1.44 -0.03 0.00 0.01 0.00 0.00 42.46 40.91 1rqr s ILE 118 CO 0.01 0.48 -0.10 -0.31 0.00 0.00 0.00 174.94 175.02 1rqr s TYR 119 N -0.19 2.83 -0.08 3.97 2.02 -0.75 -0.30 117.35 124.85 1rqr s TYR 119 Ca 0.00 -0.06 0.00 0.00 -0.37 0.00 0.00 57.07 56.64 1rqr s TYR 119 Cb -0.11 -1.67 0.02 0.00 -0.40 0.00 0.00 41.96 39.81 1rqr s TYR 119 CO 0.02 0.27 -0.06 -1.50 -1.57 0.00 0.00 175.55 172.71 1rqr s ILE 120 N -0.79 0.80 0.24 2.71 2.07 -0.51 -1.25 121.20 124.47 1rqr s ILE 120 Ca 0.12 -0.21 -0.11 0.00 -1.41 0.00 0.00 60.65 59.05 1rqr s ILE 120 Cb -0.11 -0.83 -0.01 0.00 0.13 0.00 0.00 42.46 41.65 1rqr s ILE 120 CO 0.01 0.31 0.41 0.00 -1.91 0.00 0.00 174.94 173.76 1rqr s ALA 121 N 1.35 0.01 0.70 1.50 0.00 -0.60 -2.15 121.76 122.57 1rqr s ALA 121 Ca -0.03 -1.02 -0.16 0.00 0.00 0.00 0.00 51.96 50.75 1rqr s ALA 121 Cb -0.14 1.12 0.00 0.00 0.00 0.00 0.00 23.12 24.11 1rqr s ALA 121 CO -0.03 -0.80 1.06 -0.35 0.00 0.00 0.00 175.76 175.64 1rqr n PRO 122 N -0.36 0.64 -1.70 0.00 -0.04 -1.26 -1.28 135.00 131.01 1rqr n PRO 122 Ca -0.01 0.28 -0.32 0.00 -0.04 0.00 0.00 63.50 63.41 1rqr n PRO 122 Cb 0.63 -2.30 -0.03 0.00 -0.04 0.00 0.00 33.50 31.75 1rqr n PRO 122 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1rqr n ASN 123 N -1.77 6.99 -0.55 3.54 2.85 -1.26 -4.40 115.26 120.65 1rqr n ASN 123 Ca 0.14 -3.25 0.05 0.00 -0.11 0.00 0.00 54.58 51.41 1rqr n ASN 123 Cb 0.49 -1.25 0.12 0.00 1.24 0.00 0.00 39.78 40.38 1rqr n ASN 123 CO 0.00 0.00 0.00 -0.46 -2.11 0.00 0.00 177.26 174.69 1rqr n ASN 124 N 0.96 2.61 0.00 1.20 0.23 -1.26 -4.47 115.26 114.53 1rqr n ASN 124 Ca 0.53 -1.85 0.00 0.00 -0.53 0.00 0.00 54.58 52.72 1rqr n ASN 124 Cb 0.44 -0.16 0.00 0.00 -2.08 0.00 0.00 39.78 37.98 1rqr n ASN 124 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1rqr n GLY 125 N 0.49 0.68 0.37 4.83 0.00 -1.25 -4.81 105.19 105.50 1rqr n GLY 125 Ca 0.10 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.24 1rqr n GLY 125 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1rqr h LEU 126 N 0.00 0.58 -1.51 0.99 5.85 -1.85 -1.16 115.31 118.21 1rqr h LEU 126 Ca 0.00 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1rqr h LEU 126 Cb 0.00 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 40.94 1rqr h LEU 126 CO 0.00 0.31 0.00 0.18 -0.34 0.00 0.00 178.44 178.59 1rqr n LEU 127 N -4.52 2.20 -0.08 2.25 4.77 -1.26 -4.36 117.00 115.99 1rqr n LEU 127 Ca 0.15 -1.11 -0.06 0.00 -0.03 0.00 0.00 56.01 54.96 1rqr n LEU 127 Cb 0.44 -0.35 -0.00 0.00 -2.33 0.00 0.00 43.42 41.18 1rqr n LEU 127 CO 0.31 0.42 0.77 0.74 -1.33 0.00 0.00 177.39 178.30 1rqr h THR 128 N 1.78 0.59 0.00 -5.08 2.02 -1.50 -1.19 112.91 109.53 1rqr h THR 128 Ca 0.00 0.00 -0.14 0.00 0.77 0.00 0.00 66.41 67.04 1rqr h THR 128 Cb 0.70 0.59 -0.02 0.00 -1.74 0.00 0.00 68.15 67.68 1rqr h THR 128 CO 0.08 0.00 -0.64 0.71 0.37 0.00 0.00 175.52 176.04 1rqr h THR 129 N -0.06 1.28 -0.54 3.16 1.35 -1.85 -2.08 112.91 114.17 1rqr h THR 129 Ca 0.16 -2.36 0.01 0.00 -0.55 0.00 0.00 66.41 63.67 1rqr h THR 129 Cb 0.30 2.34 -0.03 0.00 -1.73 0.00 0.00 68.15 69.03 1rqr h THR 129 CO -0.36 0.63 0.35 0.58 -0.25 0.00 0.00 175.52 176.47 1rqr h VAL 130 N 0.00 1.11 -0.11 6.82 2.07 -1.69 -0.38 116.25 124.07 1rqr h VAL 130 Ca -0.01 -0.24 -0.12 0.00 0.82 0.00 0.00 66.70 67.15 1rqr h VAL 130 Cb 1.29 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1rqr h VAL 130 CO 0.08 0.13 -0.40 -0.07 0.02 0.00 0.00 177.57 177.33 1rqr h LEU 131 N 0.70 0.53 -0.77 2.57 3.38 -1.17 0.13 115.31 120.68 1rqr h LEU 131 Ca 0.20 -0.62 0.08 0.00 0.09 0.00 0.00 57.88 57.63 1rqr h LEU 131 Cb -0.05 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.48 1rqr h LEU 131 CO -0.06 1.06 0.44 -0.08 0.09 0.00 0.00 178.44 179.90 1rqr h GLU 132 N 0.04 0.75 0.00 1.13 4.81 -1.30 0.36 114.58 120.37 1rqr h GLU 132 Ca -0.02 -0.05 -0.17 0.00 -0.13 0.00 0.00 59.36 58.99 1rqr h GLU 132 Cb 1.03 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 30.21 1rqr h GLU 132 CO 0.08 0.50 -1.69 0.39 -0.73 0.00 0.00 179.01 177.56 1rqr n GLU 133 N -4.74 0.64 -0.00 1.92 1.02 -0.16 -4.43 120.64 114.88 1rqr n GLU 133 Ca 0.11 0.10 0.03 0.00 -0.02 0.00 0.00 57.16 57.38 1rqr n GLU 133 Cb 0.22 -1.70 -0.03 0.00 -0.02 0.00 0.00 31.44 29.91 1rqr n GLU 133 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1rqr n HIS 134 N -2.74 0.00 -4.17 -0.32 8.25 0.03 -4.88 115.22 111.38 1rqr n HIS 134 Ca -0.13 0.00 0.04 0.00 -0.26 0.00 0.00 57.72 57.37 1rqr n HIS 134 Cb 0.84 -0.04 -0.01 0.00 1.12 0.00 0.00 29.99 31.91 1rqr n HIS 134 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1rqr n GLY 135 N 1.46 -1.21 3.40 -1.41 0.00 0.12 -0.89 105.19 106.66 1rqr n GLY 135 Ca 0.00 -1.06 -0.12 0.00 0.00 0.00 0.00 46.02 44.84 1rqr n GLY 135 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1rqr s TYR 136 N -0.44 -0.47 -0.21 1.61 -0.85 -1.26 -2.78 117.35 112.94 1rqr s TYR 136 Ca 0.00 0.31 0.11 0.00 -0.52 0.00 0.00 57.07 56.97 1rqr s TYR 136 Cb 0.00 0.47 -0.20 0.00 0.38 0.00 0.00 41.96 42.61 1rqr s TYR 136 CO 0.00 -0.79 -0.05 1.28 -1.52 0.00 0.00 175.55 174.48 1rqr n LEU 137 N -0.19 1.20 -3.60 -3.49 4.77 -0.08 -4.70 117.00 110.92 1rqr n LEU 137 Ca -0.17 -0.05 -0.16 0.00 -0.03 0.00 0.00 56.01 55.60 1rqr n LEU 137 Cb 0.64 -0.06 -0.07 0.00 -2.33 0.00 0.00 43.42 41.60 1rqr n LEU 137 CO 0.14 0.64 0.35 -1.83 -1.33 0.00 0.00 177.39 175.37 1rqr s GLU 138 N -2.46 0.91 -0.01 3.23 -1.05 -1.23 -5.02 118.70 113.07 1rqr s GLU 138 Ca -0.18 0.42 0.02 0.00 -0.15 0.00 0.00 54.97 55.07 1rqr s GLU 138 Cb 0.07 0.43 -0.00 0.00 -0.44 0.00 0.00 34.13 34.18 1rqr s GLU 138 CO 0.68 -0.23 -0.06 0.00 0.95 0.00 0.00 175.26 176.59 1rqr s ALA 139 N -0.70 0.54 0.02 -0.84 0.00 -1.26 -1.81 121.76 117.72 1rqr s ALA 139 Ca -0.08 -0.26 0.01 0.00 0.00 0.00 0.00 51.96 51.64 1rqr s ALA 139 Cb -0.02 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.93 1rqr s ALA 139 CO 0.06 0.12 -0.05 0.71 0.00 0.00 0.00 175.76 176.60 1rqr s TYR 140 N -0.07 0.47 0.21 0.00 2.02 -0.45 -1.63 117.35 117.89 1rqr s TYR 140 Ca 0.01 -0.36 -0.30 0.00 -0.37 0.00 0.00 57.07 56.05 1rqr s TYR 140 Cb -0.03 -0.29 -0.08 0.00 -0.40 0.00 0.00 41.96 41.15 1rqr s TYR 140 CO -0.00 -0.08 1.00 -2.00 -1.57 0.00 0.00 175.55 172.90 1rqr s GLU 141 N -1.07 4.74 -0.69 -0.62 2.12 -0.78 -1.05 118.70 121.35 1rqr s GLU 141 Ca -0.08 1.58 -0.16 0.00 0.36 0.00 0.00 54.97 56.68 1rqr s GLU 141 Cb -0.07 -3.28 0.17 0.00 0.26 0.00 0.00 34.13 31.20 1rqr s GLU 141 CO -0.00 0.32 0.67 0.08 -0.54 0.00 0.00 175.26 175.78 1rqr s VAL 142 N -0.75 5.33 0.00 3.70 1.01 -0.04 -2.62 120.40 127.03 1rqr s VAL 142 Ca 0.44 -1.88 0.00 0.00 0.00 0.00 0.00 61.98 60.54 1rqr s VAL 142 Cb -0.27 -4.43 0.00 0.00 0.00 0.00 0.00 36.38 31.68 1rqr s VAL 142 CO 0.34 -0.99 0.00 0.35 0.00 0.00 0.00 175.10 174.79 1rqr n THR 143 N 4.73 0.00 -2.74 3.92 -2.24 -0.70 -4.35 114.28 112.90 1rqr n THR 143 Ca 0.00 -0.35 -0.42 0.00 -2.27 0.00 0.00 64.05 61.01 1rqr n THR 143 Cb 0.44 0.94 -0.03 0.00 -2.10 0.00 0.00 70.33 69.57 1rqr n THR 143 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1rqr s SER 144 N -0.87 7.34 0.00 3.42 0.15 -0.24 -4.90 113.70 118.60 1rqr s SER 144 Ca 0.00 1.62 0.14 0.00 0.70 0.00 0.00 55.95 58.41 1rqr s SER 144 Cb 0.00 -2.56 0.84 0.00 -1.71 0.00 0.00 66.02 62.60 1rqr s SER 144 CO 0.00 -0.23 1.26 -0.81 1.20 0.00 0.00 173.24 174.66 1rqr n PRO 145 N 3.82 0.48 0.18 5.44 -0.04 -1.26 -1.28 135.00 142.34 1rqr n PRO 145 Ca 0.05 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.59 1rqr n PRO 145 Cb 0.51 -1.46 0.10 0.00 -0.04 0.00 0.00 33.50 32.61 1rqr n PRO 145 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1rqr h LYS 146 N 0.00 0.00 0.00 0.54 1.57 -1.96 -3.39 116.57 113.33 1rqr h LYS 146 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1rqr h LYS 146 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1rqr h LYS 146 CO 0.00 0.22 -0.10 1.33 -0.57 0.00 0.00 179.45 180.32 1rqr n VAL 147 N -3.15 0.00 -4.24 0.50 0.24 -0.41 -5.04 118.33 106.25 1rqr n VAL 147 Ca 0.03 -0.41 -0.15 0.00 -2.04 0.00 0.00 64.34 61.77 1rqr n VAL 147 Cb 0.62 0.94 -0.10 0.00 -1.47 0.00 0.00 33.84 33.83 1rqr n VAL 147 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1rqr s ILE 148 N -1.02 1.17 0.35 1.34 -4.36 -0.86 -2.53 121.20 115.29 1rqr s ILE 148 Ca 0.00 -1.91 -0.28 0.00 -0.26 0.00 0.00 60.65 58.20 1rqr s ILE 148 Cb 0.00 -1.69 -0.10 0.00 1.25 0.00 0.00 42.46 41.92 1rqr s ILE 148 CO 0.00 -0.64 1.34 -2.84 0.24 0.00 0.00 174.94 173.04 1rqr s PRO 149 N -3.32 4.25 0.14 0.37 0.02 -1.26 -4.36 135.00 130.84 1rqr s PRO 149 Ca 0.13 2.27 -0.22 0.00 0.02 0.00 0.00 61.00 63.20 1rqr s PRO 149 Cb -0.00 -3.00 0.02 0.00 0.02 0.00 0.00 34.50 31.54 1rqr s PRO 149 CO 0.01 -0.30 1.64 0.93 -0.33 0.00 0.00 177.00 178.95 1rqr h GLU 150 N 3.19 -0.21 -3.44 5.54 5.08 -1.96 -3.33 114.58 119.45 1rqr h GLU 150 Ca -0.49 0.01 -0.71 0.00 -1.00 0.00 0.00 59.36 57.17 1rqr h GLU 150 Cb 1.23 0.05 -0.34 0.00 0.50 0.00 0.00 28.75 30.18 1rqr h GLU 150 CO 0.65 -0.14 -0.16 -0.65 -1.00 0.00 0.00 179.01 177.71 1rqr s GLN 151 N -6.11 3.09 0.30 2.33 -0.21 -1.26 -5.08 119.66 112.72 1rqr s GLN 151 Ca -0.15 -2.97 -0.29 0.00 0.02 0.00 0.00 55.36 51.97 1rqr s GLN 151 Cb 0.12 -3.93 -0.10 0.00 1.00 0.00 0.00 33.01 30.10 1rqr s GLN 151 CO 0.68 -1.24 1.16 -2.14 -2.12 0.00 0.00 175.29 171.63 1rqr s PRO 152 N -0.81 4.51 -0.11 2.91 0.02 -1.25 -4.94 135.00 135.32 1rqr s PRO 152 Ca 0.23 1.91 -0.29 0.00 0.02 0.00 0.00 61.00 62.88 1rqr s PRO 152 Cb -0.12 -3.11 -0.06 0.00 0.02 0.00 0.00 34.50 31.23 1rqr s PRO 152 CO -0.09 0.06 1.99 -2.00 -0.33 0.00 0.00 177.00 176.63 1rqr s GLU 153 N -1.62 3.69 0.30 5.54 2.56 -1.26 -4.91 118.70 122.99 1rqr s GLU 153 Ca 0.47 2.20 0.05 0.00 0.00 0.00 0.00 54.97 57.69 1rqr s GLU 153 Cb -0.34 -4.21 0.72 0.00 2.00 0.00 0.00 34.13 32.30 1rqr s GLU 153 CO 0.44 -1.46 1.77 -1.35 -0.56 0.00 0.00 175.26 174.10 1rqr h PRO 154 N 12.29 0.71 -0.64 4.30 0.11 -1.93 -2.56 132.00 144.28 1rqr h PRO 154 Ca -0.43 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1rqr h PRO 154 Cb 1.22 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.17 1rqr h PRO 154 CO 0.96 0.47 0.00 0.25 -0.21 0.00 0.00 178.00 179.47 1rqr n THR 155 N -4.79 2.02 -2.79 -1.15 -2.24 -1.26 -0.97 114.28 103.10 1rqr n THR 155 Ca 0.23 -1.17 -0.02 0.00 -2.27 0.00 0.00 64.05 60.81 1rqr n THR 155 Cb 0.57 -0.05 0.05 0.00 -2.10 0.00 0.00 70.33 68.80 1rqr n THR 155 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1rqr n PHE 156 N 0.89 0.98 0.29 4.78 -0.00 -0.96 -4.92 117.46 118.52 1rqr n PHE 156 Ca 0.25 -2.23 0.16 0.00 -0.00 0.00 0.00 57.45 55.62 1rqr n PHE 156 Cb 0.95 -0.12 0.93 0.00 -0.00 0.00 0.00 39.48 41.24 1rqr n PHE 156 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.76 178.64 1rqr h TYR 157 N 2.58 0.00 0.00 -5.13 -1.99 -1.79 -0.52 116.97 110.12 1rqr h TYR 157 Ca -0.15 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.55 1rqr h TYR 157 Cb 1.26 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.98 1rqr h TYR 157 CO 0.46 0.00 -0.13 0.77 -0.00 0.00 0.00 178.16 179.26 1rqr h SER 158 N 0.00 0.00 0.03 3.88 0.02 -1.91 -2.96 113.55 112.61 1rqr h SER 158 Ca 0.01 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.76 1rqr h SER 158 Cb 0.06 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.58 1rqr h SER 158 CO -0.00 0.13 -1.07 -0.09 -1.14 0.00 0.00 176.83 174.66 1rqr h ARG 159 N 0.00 0.07 0.00 3.45 2.43 -1.54 -2.27 114.38 116.52 1rqr h ARG 159 Ca -0.00 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 1rqr h ARG 159 Cb 0.27 0.05 0.00 0.00 -0.42 0.00 0.00 29.97 29.86 1rqr h ARG 159 CO 0.02 1.06 0.00 0.39 -1.51 0.00 0.00 179.97 179.93 1rqr n GLU 160 N -4.30 0.41 0.00 0.20 -0.58 -0.79 -1.63 120.64 113.95 1rqr n GLU 160 Ca -0.26 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.48 1rqr n GLU 160 Cb 0.71 -1.09 0.00 0.00 -0.57 0.00 0.00 31.44 30.49 1rqr n GLU 160 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1rqr n VAL 162 N -0.59 0.00 0.10 2.62 0.31 -1.22 -4.35 118.33 115.19 1rqr n VAL 162 Ca 0.02 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.22 1rqr n VAL 162 Cb 0.01 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.86 1rqr n VAL 162 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1rqr h ALA 163 N 0.00 -0.17 0.87 3.52 0.00 -1.28 0.04 119.26 122.23 1rqr h ALA 163 Ca 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1rqr h ALA 163 Cb 0.00 0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1rqr h ALA 163 CO 0.00 -0.58 -0.46 0.82 0.00 0.00 0.00 179.25 179.03 1rqr h ILE 164 N -0.20 0.07 0.00 0.00 2.04 -1.55 -2.75 117.51 115.12 1rqr h ILE 164 Ca -0.02 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.80 1rqr h ILE 164 Cb 0.16 0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.30 1rqr h ILE 164 CO 0.03 0.00 -0.21 1.55 0.00 0.00 0.00 178.15 179.52 1rqr h PRO 165 N -1.22 0.00 -0.39 2.37 0.13 -1.53 -1.42 132.00 129.94 1rqr h PRO 165 Ca -0.12 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.05 1rqr h PRO 165 Cb 0.95 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.06 1rqr h PRO 165 CO 0.17 0.21 0.26 0.66 -0.23 0.00 0.00 178.00 179.07 1rqr h SER 166 N 0.00 0.33 0.03 1.44 4.64 -0.89 -1.04 113.55 118.06 1rqr h SER 166 Ca -0.00 -0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.07 1rqr h SER 166 Cb 0.51 -0.07 0.01 0.00 -0.31 0.00 0.00 62.40 62.54 1rqr h SER 166 CO 0.03 0.22 -0.92 0.00 -0.87 0.00 0.00 176.83 175.29 1rqr h ALA 167 N 1.78 0.27 -0.57 5.18 0.00 -0.96 -1.82 119.26 123.13 1rqr h ALA 167 Ca 0.16 -0.66 -0.01 0.00 0.00 0.00 0.00 54.91 54.40 1rqr h ALA 167 Cb 0.17 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1rqr h ALA 167 CO -0.04 0.71 0.33 0.45 0.00 0.00 0.00 179.25 180.71 1rqr h HIS 168 N 0.41 0.76 -0.75 0.00 3.86 -1.20 -0.71 115.15 117.52 1rqr h HIS 168 Ca -0.09 -0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.06 1rqr h HIS 168 Cb 1.55 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 29.74 1rqr h HIS 168 CO 0.09 0.53 0.25 -0.07 0.86 0.00 0.00 177.93 179.59 1rqr h LEU 169 N 0.77 1.07 -1.16 2.43 3.38 -1.18 -1.44 115.31 119.17 1rqr h LEU 169 Ca 0.20 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 1rqr h LEU 169 Cb 0.01 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1rqr h LEU 169 CO -0.04 0.98 0.16 0.00 0.09 0.00 0.00 178.44 179.64 1rqr h ALA 170 N 1.16 1.33 0.00 1.53 0.00 -1.05 -2.70 119.26 119.53 1rqr h ALA 170 Ca 0.24 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1rqr h ALA 170 Cb 0.29 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.87 1rqr h ALA 170 CO -0.01 0.48 0.00 0.00 0.00 0.00 0.00 179.25 179.72 1rqr h ALA 171 N 1.44 1.00 0.00 0.00 0.00 -0.48 -3.45 119.26 117.77 1rqr h ALA 171 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1rqr h ALA 171 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1rqr h ALA 171 CO -0.01 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.65 1rqr n GLY 172 N 0.26 1.24 3.70 0.00 0.00 -0.84 -5.08 105.19 104.48 1rqr n GLY 172 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 1rqr n GLY 172 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1rqr s PHE 173 N -2.00 2.34 0.17 1.61 5.36 -0.60 -4.87 117.98 119.98 1rqr s PHE 173 Ca 0.00 0.05 -0.32 0.00 -0.96 0.00 0.00 56.93 55.70 1rqr s PHE 173 Cb 0.00 -4.19 -0.11 0.00 -0.34 0.00 0.00 43.02 38.39 1rqr s PHE 173 CO 0.00 -4.79 1.69 -2.14 -1.46 0.00 0.00 175.22 168.52 1rqr s PRO 174 N 2.31 4.16 0.25 10.12 0.02 -1.26 -4.53 135.00 146.06 1rqr s PRO 174 Ca 0.80 2.52 -0.04 0.00 0.02 0.00 0.00 61.00 64.29 1rqr s PRO 174 Cb -0.48 -3.21 0.40 0.00 0.02 0.00 0.00 34.50 31.24 1rqr s PRO 174 CO 0.35 -0.72 1.81 1.25 -0.33 0.00 0.00 177.00 179.36 1rqr h LEU 175 N 7.20 0.67 0.00 -5.54 5.85 -1.96 -1.78 115.31 119.76 1rqr h LEU 175 Ca -0.43 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.34 1rqr h LEU 175 Cb 1.20 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.15 1rqr h LEU 175 CO 0.94 0.38 0.00 -1.54 -0.34 0.00 0.00 178.44 177.88 1rqr n SER 176 N -4.74 0.00 -0.85 1.25 3.41 -1.26 -2.75 113.62 108.67 1rqr n SER 176 Ca 0.14 0.39 0.12 0.00 -0.26 0.00 0.00 58.87 59.25 1rqr n SER 176 Cb 0.28 -0.44 0.28 0.00 -0.26 0.00 0.00 64.21 64.07 1rqr n SER 176 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1rqr n GLU 177 N -1.44 2.13 0.06 4.33 1.02 -0.67 -4.39 120.64 121.69 1rqr n GLU 177 Ca 0.04 -1.69 -0.09 0.00 -0.02 0.00 0.00 57.16 55.40 1rqr n GLU 177 Cb 0.14 -1.46 -0.13 0.00 -0.02 0.00 0.00 31.44 29.97 1rqr n GLU 177 CO 0.00 0.00 0.00 -0.39 1.18 0.00 0.00 177.13 177.92 1rqr h VAL 178 N 3.57 1.62 0.00 2.62 -1.51 -1.64 -3.45 116.25 117.45 1rqr h VAL 178 Ca 0.00 -3.30 0.00 0.00 -1.23 0.00 0.00 66.70 62.17 1rqr h VAL 178 Cb 0.78 2.85 0.00 0.00 -2.13 0.00 0.00 31.29 32.78 1rqr h VAL 178 CO 0.00 0.93 0.00 0.61 -1.23 0.00 0.00 177.57 177.88 1rqr n GLY 179 N 1.41 -1.24 3.77 5.19 0.00 -1.08 -1.07 105.19 112.16 1rqr n GLY 179 Ca -0.03 -0.82 -0.31 0.00 0.00 0.00 0.00 46.02 44.85 1rqr n GLY 179 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1rqr s ARG 180 N -0.14 2.36 0.32 1.61 1.70 -1.25 -4.60 118.95 118.96 1rqr s ARG 180 Ca 0.00 1.20 -0.29 0.00 -0.47 0.00 0.00 55.73 56.18 1rqr s ARG 180 Cb 0.00 -1.91 -0.11 0.00 -0.57 0.00 0.00 34.95 32.37 1rqr s ARG 180 CO 0.00 -1.57 1.41 -2.14 -1.08 0.00 0.00 175.30 171.93 1rqr s PRO 181 N -4.76 4.24 -0.12 3.89 0.02 -1.26 -1.87 135.00 135.13 1rqr s PRO 181 Ca 0.62 2.37 -0.12 0.00 0.02 0.00 0.00 61.00 63.89 1rqr s PRO 181 Cb -0.18 -3.05 -0.05 0.00 0.02 0.00 0.00 34.50 31.25 1rqr s PRO 181 CO 0.53 -0.38 0.27 -0.51 -0.33 0.00 0.00 177.00 176.59 1rqr s LEU 182 N -1.43 4.32 0.55 -5.54 1.43 -0.65 -4.82 118.68 112.55 1rqr s LEU 182 Ca 0.54 0.57 -0.12 0.00 -1.03 0.00 0.00 54.13 54.09 1rqr s LEU 182 Cb -0.43 -2.33 -0.05 0.00 0.03 0.00 0.00 46.19 43.41 1rqr s LEU 182 CO 0.53 0.22 0.96 -1.61 0.23 0.00 0.00 176.35 176.68 1rqr s GLU 183 N -0.17 3.70 0.26 1.70 2.02 -1.26 -4.63 118.70 120.32 1rqr s GLU 183 Ca 0.17 0.70 -0.03 0.00 0.02 0.00 0.00 54.97 55.83 1rqr s GLU 183 Cb -0.13 -2.17 0.43 0.00 0.10 0.00 0.00 34.13 32.36 1rqr s GLU 183 CO 0.05 -0.39 1.84 0.22 0.02 0.00 0.00 175.26 177.00 1rqr h ASP 184 N 0.22 0.83 0.90 -0.19 3.58 -1.99 -0.88 116.42 118.90 1rqr h ASP 184 Ca -0.45 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.03 1rqr h ASP 184 Cb 1.19 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 42.11 1rqr h ASP 184 CO 0.62 0.49 0.00 1.12 -2.88 0.00 0.00 179.24 178.59 1rqr h HIS 185 N 0.94 0.00 0.00 0.28 2.07 -2.03 -2.39 115.15 114.02 1rqr h HIS 185 Ca 0.43 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.95 1rqr h HIS 185 Cb 0.33 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.31 1rqr h HIS 185 CO -0.03 0.00 -0.12 0.39 -3.07 0.00 0.00 177.93 175.10 1rqr n GLU 186 N -2.64 0.03 -3.10 5.12 1.02 -0.34 -4.72 120.64 116.01 1rqr n GLU 186 Ca 0.02 0.02 -0.41 0.00 -0.02 0.00 0.00 57.16 56.77 1rqr n GLU 186 Cb 0.27 -1.53 -0.06 0.00 -0.02 0.00 0.00 31.44 30.10 1rqr n GLU 186 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1rqr s ILE 187 N -3.01 4.98 0.45 -3.67 1.01 -0.90 -5.00 121.20 115.05 1rqr s ILE 187 Ca 0.13 1.16 -0.22 0.00 0.00 0.00 0.00 60.65 61.72 1rqr s ILE 187 Cb 0.18 -3.94 -0.08 0.00 0.01 0.00 0.00 42.46 38.62 1rqr s ILE 187 CO 0.58 0.04 1.07 -0.69 0.00 0.00 0.00 174.94 175.93 1rqr s VAL 188 N 2.42 3.62 0.02 2.92 1.01 -1.26 -5.04 120.40 124.09 1rqr s VAL 188 Ca 0.27 1.13 0.01 0.00 0.00 0.00 0.00 61.98 63.39 1rqr s VAL 188 Cb -0.16 -3.53 -0.02 0.00 0.00 0.00 0.00 36.38 32.68 1rqr s VAL 188 CO 0.09 -0.10 -0.04 -0.13 0.00 0.00 0.00 175.10 174.92 1rqr s ARG 189 N -2.84 0.34 0.16 2.72 3.00 -1.26 -3.83 118.95 117.24 1rqr s ARG 189 Ca 0.63 -0.55 -0.04 0.00 0.00 0.00 0.00 55.73 55.78 1rqr s ARG 189 Cb -0.21 -0.05 -0.05 0.00 0.00 0.00 0.00 34.95 34.63 1rqr s ARG 189 CO 0.26 -0.00 0.38 -0.59 0.00 0.00 0.00 175.30 175.35 1rqr s PHE 190 N -1.17 3.48 -0.19 -0.53 -0.12 -1.26 -4.92 117.98 113.26 1rqr s PHE 190 Ca -0.11 0.50 -0.22 0.00 -0.05 0.00 0.00 56.93 57.05 1rqr s PHE 190 Cb -0.08 -1.96 -0.02 0.00 -0.63 0.00 0.00 43.02 40.32 1rqr s PHE 190 CO -0.00 0.41 0.67 -0.80 -0.05 0.00 0.00 175.22 175.45 1rqr s ASN 191 N -2.66 6.74 -0.37 1.98 -0.87 -1.26 -5.02 114.94 113.49 1rqr s ASN 191 Ca 0.40 0.91 -0.26 0.00 -1.57 0.00 0.00 52.86 52.34 1rqr s ASN 191 Cb -0.12 -2.37 0.02 0.00 -0.02 0.00 0.00 41.25 38.76 1rqr s ASN 191 CO 0.26 -0.30 0.93 -0.13 -2.57 0.00 0.00 177.10 175.29 1rqr s ARG 192 N 1.96 3.84 -0.09 -0.60 0.52 -1.26 -5.01 118.95 118.32 1rqr s ARG 192 Ca 0.31 0.58 -0.36 0.00 -0.52 0.00 0.00 55.73 55.73 1rqr s ARG 192 Cb -0.16 -3.80 -0.14 0.00 0.52 0.00 0.00 34.95 31.37 1rqr s ARG 192 CO 0.11 -0.95 1.73 -2.30 0.02 0.00 0.00 175.30 173.91 1rqr n PRO 193 N 6.79 1.73 -1.83 3.54 -0.01 -1.26 -4.95 135.00 139.01 1rqr n PRO 193 Ca 0.07 0.63 -0.32 0.00 -0.01 0.00 0.00 63.50 63.87 1rqr n PRO 193 Cb 0.48 -2.39 0.03 0.00 -0.01 0.00 0.00 33.50 31.61 1rqr n PRO 193 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1rqr s ALA 194 N 3.04 2.62 -0.30 3.55 0.00 -1.26 -5.01 121.76 124.40 1rqr s ALA 194 Ca 0.92 0.38 -0.26 0.00 0.00 0.00 0.00 51.96 52.99 1rqr s ALA 194 Cb -0.84 -3.25 0.01 0.00 0.00 0.00 0.00 23.12 19.04 1rqr s ALA 194 CO 0.53 -1.07 0.91 0.08 0.00 0.00 0.00 175.76 176.21 1rqr s VAL 195 N -2.55 4.69 0.27 0.00 1.01 -1.26 -4.89 120.40 117.66 1rqr s VAL 195 Ca 0.63 1.48 -0.16 0.00 0.00 0.00 0.00 61.98 63.93 1rqr s VAL 195 Cb -0.17 -4.25 -0.08 0.00 0.00 0.00 0.00 36.38 31.88 1rqr s VAL 195 CO 0.42 -0.31 0.70 -1.61 0.00 0.00 0.00 175.10 174.30 1rqr s GLU 196 N 3.20 4.05 0.16 2.72 0.41 -0.63 -4.91 118.70 123.71 1rqr s GLU 196 Ca 0.38 0.67 -0.06 0.00 -0.41 0.00 0.00 54.97 55.55 1rqr s GLU 196 Cb -0.14 -2.63 -0.06 0.00 -1.78 0.00 0.00 34.13 29.52 1rqr s GLU 196 CO 0.12 0.27 0.42 -1.14 -0.49 0.00 0.00 175.26 174.44 1rqr s GLN 197 N -2.58 3.66 -0.46 1.61 0.74 -1.26 -1.23 119.66 120.14 1rqr s GLN 197 Ca 0.49 -0.01 0.05 0.00 0.05 0.00 0.00 55.36 55.94 1rqr s GLN 197 Cb -0.13 -2.80 0.27 0.00 1.10 0.00 0.00 33.01 31.45 1rqr s GLN 197 CO 0.19 0.43 1.00 -3.47 -0.55 0.00 0.00 175.29 172.89 1rqr n ASP 198 N 0.02 -2.55 0.00 6.67 2.03 -0.43 -4.91 116.55 117.39 1rqr n ASP 198 Ca -0.02 -3.20 0.00 0.00 0.52 0.00 0.00 54.79 52.09 1rqr n ASP 198 Cb 0.52 1.73 0.00 0.00 -0.72 0.00 0.00 41.12 42.65 1rqr n ASP 198 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1rqr n GLY 199 N 1.27 0.64 0.06 0.27 0.00 -1.26 -3.29 105.19 102.88 1rqr n GLY 199 Ca 0.07 -1.09 0.12 0.00 0.00 0.00 0.00 46.02 45.12 1rqr n GLY 199 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1rqr n GLU 200 N 6.48 0.21 -2.67 1.61 0.00 -1.26 -4.92 120.64 120.09 1rqr n GLU 200 Ca 0.00 0.10 -0.42 0.00 0.00 0.00 0.00 57.16 56.84 1rqr n GLU 200 Cb 0.00 -1.67 -0.03 0.00 0.00 0.00 0.00 31.44 29.74 1rqr n GLU 200 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1rqr s ALA 201 N -3.10 3.22 -0.25 4.31 0.00 -1.21 -4.72 121.76 120.01 1rqr s ALA 201 Ca 0.09 0.60 -0.11 0.00 0.00 0.00 0.00 51.96 52.54 1rqr s ALA 201 Cb 0.14 -3.34 -0.05 0.00 0.00 0.00 0.00 23.12 19.88 1rqr s ALA 201 CO 0.66 -0.20 0.17 -0.51 0.00 0.00 0.00 175.76 175.88 1rqr s LEU 202 N 0.70 4.10 -0.11 0.00 1.43 -0.50 -1.31 118.68 122.99 1rqr s LEU 202 Ca 0.51 0.09 -0.04 0.00 -1.03 0.00 0.00 54.13 53.66 1rqr s LEU 202 Cb -0.23 -2.11 -0.04 0.00 0.03 0.00 0.00 46.19 43.84 1rqr s LEU 202 CO 0.29 0.04 0.05 -0.69 0.23 0.00 0.00 176.35 176.27 1rqr s VAL 203 N 1.21 4.75 0.00 -1.59 1.01 -0.37 -1.59 120.40 123.83 1rqr s VAL 203 Ca 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 61.98 61.98 1rqr s VAL 203 Cb -0.14 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.20 1rqr s VAL 203 CO 0.06 0.59 0.00 0.61 0.00 0.00 0.00 175.10 176.36 1rqr n GLY 204 N 2.26 4.38 3.51 4.51 0.00 0.10 -1.61 105.19 118.35 1rqr n GLY 204 Ca -0.19 -0.40 -0.17 0.00 0.00 0.00 0.00 46.02 45.27 1rqr n GLY 204 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rqr s VAL 205 N 0.65 0.00 -0.39 1.61 0.11 -1.26 -2.09 120.40 119.03 1rqr s VAL 205 Ca 0.00 -0.04 -0.29 0.00 -2.93 0.00 0.00 61.98 58.73 1rqr s VAL 205 Cb 0.00 -0.96 0.00 0.00 -1.53 0.00 0.00 36.38 33.90 1rqr s VAL 205 CO 0.00 -0.02 1.49 -0.69 -3.33 0.00 0.00 175.10 172.55 1rqr s VAL 206 N -0.87 3.82 0.12 2.04 1.01 -1.26 -2.03 120.40 123.23 1rqr s VAL 206 Ca -0.09 0.84 0.01 0.00 0.00 0.00 0.00 61.98 62.74 1rqr s VAL 206 Cb -0.01 -4.08 -0.21 0.00 0.00 0.00 0.00 36.38 32.07 1rqr s VAL 206 CO 0.08 -0.68 1.27 0.77 0.00 0.00 0.00 175.10 176.54 1rqr h SER 207 N 11.11 0.26 -4.32 3.32 4.64 -1.22 -1.73 113.55 125.60 1rqr h SER 207 Ca -0.29 -0.25 0.02 0.00 -0.47 0.00 0.00 61.79 60.80 1rqr h SER 207 Cb 1.12 -0.08 -0.22 0.00 -0.31 0.00 0.00 62.40 62.91 1rqr h SER 207 CO 1.07 1.13 0.37 0.00 -0.87 0.00 0.00 176.83 178.53 1rqr s ALA 208 N -2.90 -1.86 0.02 5.18 0.00 -1.17 -4.81 121.76 116.22 1rqr s ALA 208 Ca -0.02 1.56 -0.27 0.00 0.00 0.00 0.00 51.96 53.23 1rqr s ALA 208 Cb 0.09 -0.58 -0.05 0.00 0.00 0.00 0.00 23.12 22.58 1rqr s ALA 208 CO 0.85 -0.32 0.84 0.42 0.00 0.00 0.00 175.76 177.54 1rqr s ILE 209 N -0.84 4.79 -0.90 0.00 -1.09 -1.26 -1.10 121.20 120.79 1rqr s ILE 209 Ca -0.04 1.77 -0.19 0.00 -2.23 0.00 0.00 60.65 59.96 1rqr s ILE 209 Cb -0.01 -4.19 0.13 0.00 -1.58 0.00 0.00 42.46 36.81 1rqr s ILE 209 CO 0.04 0.28 1.08 -0.62 -1.23 0.00 0.00 174.94 174.50 1rqr s ASP 210 N 0.38 6.59 0.39 3.58 2.15 0.10 -4.95 116.67 124.92 1rqr s ASP 210 Ca 0.43 -2.00 -0.23 0.00 0.43 0.00 0.00 52.55 51.18 1rqr s ASP 210 Cb -0.21 -2.39 -0.10 0.00 -0.30 0.00 0.00 42.92 39.92 1rqr s ASP 210 CO 0.24 -1.06 0.95 -1.00 -0.17 0.00 0.00 175.17 174.14 1rqr s HIS 211 N 2.63 3.43 -0.58 -5.34 3.76 -1.26 -1.80 115.29 116.13 1rqr s HIS 211 Ca 0.31 1.67 0.14 0.00 -0.15 0.00 0.00 55.06 57.02 1rqr s HIS 211 Cb -0.06 -2.89 0.72 0.00 1.11 0.00 0.00 32.58 31.45 1rqr s HIS 211 CO -0.08 -0.04 1.61 -0.35 -0.85 0.00 0.00 174.74 175.03 1rqr n PRO 212 N -0.20 4.23 0.06 8.40 -0.04 -1.26 -4.90 135.00 141.28 1rqr n PRO 212 Ca 0.05 -2.78 -0.01 0.00 -0.04 0.00 0.00 63.50 60.73 1rqr n PRO 212 Cb 0.52 -2.09 -0.06 0.00 -0.04 0.00 0.00 33.50 31.83 1rqr n PRO 212 CO 0.00 0.00 0.00 0.74 -0.04 0.00 0.00 175.50 176.20 1rqr h PHE 213 N 3.65 0.00 0.00 0.54 0.04 -1.85 -3.48 116.94 115.84 1rqr h PHE 213 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 1rqr h PHE 213 Cb 1.70 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.85 1rqr h PHE 213 CO 0.91 0.63 0.00 0.41 -0.60 0.00 0.00 178.31 179.66 1rqr n GLY 214 N 1.35 0.40 3.81 -1.45 0.00 -0.74 -4.07 105.19 104.49 1rqr n GLY 214 Ca -0.06 -0.98 -0.32 0.00 0.00 0.00 0.00 46.02 44.66 1rqr n GLY 214 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rqr s ASN 215 N -2.97 5.79 -0.21 1.61 0.01 -1.19 -1.32 114.94 116.65 1rqr s ASN 215 Ca 0.00 1.78 -0.04 0.00 -0.71 0.00 0.00 52.86 53.89 1rqr s ASN 215 Cb 0.00 -2.53 -0.01 0.00 0.41 0.00 0.00 41.25 39.12 1rqr s ASN 215 CO 0.00 -1.16 -0.03 -0.69 -1.51 0.00 0.00 177.10 173.71 1rqr s VAL 216 N -2.53 3.53 -0.11 1.60 1.01 -0.15 0.02 120.40 123.78 1rqr s VAL 216 Ca 0.63 -0.45 -0.03 0.00 0.00 0.00 0.00 61.98 62.13 1rqr s VAL 216 Cb -0.15 -2.60 -0.03 0.00 0.00 0.00 0.00 36.38 33.59 1rqr s VAL 216 CO 0.38 0.43 0.02 0.26 0.00 0.00 0.00 175.10 176.19 1rqr s TRP 217 N 1.30 3.21 0.43 5.22 0.52 -0.26 -0.93 118.94 128.43 1rqr s TRP 217 Ca 0.04 0.18 0.07 0.00 0.02 0.00 0.00 56.10 56.41 1rqr s TRP 217 Cb -0.14 -1.85 -0.02 0.00 -1.15 0.00 0.00 33.47 30.30 1rqr s TRP 217 CO -0.01 0.42 0.34 0.95 0.02 0.00 0.00 176.95 178.67 1rqr s THR 218 N -0.66 2.45 -0.56 2.01 -4.23 -0.69 -0.80 115.64 113.16 1rqr s THR 218 Ca 0.11 -1.44 0.14 0.00 -1.18 0.00 0.00 61.69 59.32 1rqr s THR 218 Cb -0.12 -2.89 0.73 0.00 1.34 0.00 0.00 72.50 71.56 1rqr s THR 218 CO 0.02 0.00 1.62 -0.46 -0.54 0.00 0.00 174.62 175.26 1rqr n ASN 219 N -1.51 5.07 -4.55 3.99 6.94 -0.86 -4.55 115.26 119.79 1rqr n ASN 219 Ca 0.02 -2.72 -0.43 0.00 -0.02 0.00 0.00 54.58 51.43 1rqr n ASN 219 Cb 0.63 -0.64 -0.05 0.00 -2.36 0.00 0.00 39.78 37.36 1rqr n ASN 219 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1rqr s ILE 220 N -2.38 4.65 0.73 1.53 1.01 -1.26 -4.84 121.20 120.63 1rqr s ILE 220 Ca 0.49 0.55 -0.11 0.00 0.00 0.00 0.00 60.65 61.58 1rqr s ILE 220 Cb 0.36 -4.31 0.04 0.00 0.01 0.00 0.00 42.46 38.56 1rqr s ILE 220 CO 0.17 -0.67 1.10 -2.28 0.00 0.00 0.00 174.94 173.26 1rqr s HIS 221 N 3.29 3.16 0.42 3.97 2.46 -1.26 -0.81 115.29 126.52 1rqr s HIS 221 Ca 0.31 0.87 0.12 0.00 0.47 0.00 0.00 55.06 56.83 1rqr s HIS 221 Cb -0.12 -3.20 0.91 0.00 -0.13 0.00 0.00 32.58 30.03 1rqr s HIS 221 CO 0.22 -1.38 1.96 0.07 -2.47 0.00 0.00 174.74 173.14 1rqr h ARG 222 N -0.75 0.10 0.00 2.88 0.11 -1.48 -1.92 114.38 113.31 1rqr h ARG 222 Ca -0.45 -0.02 -0.07 0.00 0.10 0.00 0.00 59.98 59.53 1rqr h ARG 222 Cb 1.29 -0.01 -0.01 0.00 1.11 0.00 0.00 29.97 32.34 1rqr h ARG 222 CO 0.64 0.26 -0.34 1.79 0.10 0.00 0.00 179.97 182.43 1rqr h THR 223 N 0.10 0.97 -0.27 0.08 1.35 -1.93 0.25 112.91 113.46 1rqr h THR 223 Ca 0.02 -1.28 -0.13 0.00 -0.55 0.00 0.00 66.41 64.46 1rqr h THR 223 Cb 0.34 1.75 -0.01 0.00 -1.73 0.00 0.00 68.15 68.50 1rqr h THR 223 CO 0.02 0.33 -0.37 0.44 -0.25 0.00 0.00 175.52 175.69 1rqr h ASP 224 N 0.00 0.64 0.20 5.36 3.45 -1.74 -2.47 116.42 121.87 1rqr h ASP 224 Ca -0.00 -0.28 -0.01 0.00 0.43 0.00 0.00 57.03 57.17 1rqr h ASP 224 Cb 0.72 -0.18 0.00 0.00 -0.56 0.00 0.00 39.33 39.32 1rqr h ASP 224 CO 0.04 0.95 -0.09 -0.07 -1.57 0.00 0.00 179.24 178.50 1rqr h LEU 225 N 0.51 -0.22 0.00 1.55 3.38 -0.63 -3.15 115.31 116.74 1rqr h LEU 225 Ca 0.05 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.74 1rqr h LEU 225 Cb 0.88 0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.69 1rqr h LEU 225 CO 0.08 0.31 0.00 -1.84 0.09 0.00 0.00 178.44 177.08 1rqr n GLU 226 N -4.95 0.64 0.05 1.13 0.28 0.79 -0.81 120.64 117.77 1rqr n GLU 226 Ca -0.07 0.00 -0.22 0.00 -0.16 0.00 0.00 57.16 56.71 1rqr n GLU 226 Cb 0.25 -1.24 -0.15 0.00 1.43 0.00 0.00 31.44 31.73 1rqr n GLU 226 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 1rqr h LYS 227 N 0.00 0.34 -0.40 3.44 3.64 -1.43 -3.35 116.57 118.80 1rqr h LYS 227 Ca 0.00 -0.58 0.00 0.00 -1.27 0.00 0.00 60.65 58.80 1rqr h LYS 227 Cb 0.00 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 1rqr h LYS 227 CO 0.00 1.28 0.00 0.00 -2.27 0.00 0.00 179.45 178.46 1rqr n ALA 228 N -2.86 2.59 -1.09 5.00 0.00 0.01 -4.89 120.51 119.27 1rqr n ALA 228 Ca -0.22 -0.45 -0.03 0.00 0.00 0.00 0.00 53.44 52.74 1rqr n ALA 228 Cb 0.97 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.41 1rqr n ALA 228 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rqr n GLY 229 N 0.68 0.60 3.66 0.00 0.00 -0.99 -5.01 105.19 104.14 1rqr n GLY 229 Ca 0.08 -0.41 -0.40 0.00 0.00 0.00 0.00 46.02 45.28 1rqr n GLY 229 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rqr s ILE 230 N -1.98 4.99 0.27 -0.61 1.01 -0.75 -4.97 121.20 119.17 1rqr s ILE 230 Ca 0.00 1.28 0.04 0.00 0.00 0.00 0.00 60.65 61.96 1rqr s ILE 230 Cb 0.00 -3.98 -0.01 0.00 0.01 0.00 0.00 42.46 38.47 1rqr s ILE 230 CO 0.00 0.10 0.14 0.61 0.00 0.00 0.00 174.94 175.79 1rqr n GLY 231 N 3.71 3.40 3.61 6.18 0.00 -1.26 -3.55 105.19 117.27 1rqr n GLY 231 Ca -0.00 -1.97 -0.43 0.00 0.00 0.00 0.00 46.02 43.62 1rqr n GLY 231 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1rqr s TYR 232 N -2.75 1.29 0.00 1.61 2.02 -1.26 -2.90 117.35 115.35 1rqr s TYR 232 Ca 0.20 0.48 0.00 0.00 -0.37 0.00 0.00 57.07 57.38 1rqr s TYR 232 Cb 0.01 -3.98 0.00 0.00 -0.40 0.00 0.00 41.96 37.59 1rqr s TYR 232 CO 0.14 -3.99 0.00 0.41 -1.57 0.00 0.00 175.55 170.53 1rqr n GLY 233 N 5.60 1.10 3.77 0.71 0.00 0.24 -5.00 105.19 111.61 1rqr n GLY 233 Ca 0.28 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.91 1rqr n GLY 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rqr s ALA 234 N -0.99 3.27 0.15 4.61 0.00 -1.14 -4.69 121.76 122.97 1rqr s ALA 234 Ca 0.00 0.68 -0.30 0.00 0.00 0.00 0.00 51.96 52.34 1rqr s ALA 234 Cb 0.00 -3.25 -0.07 0.00 0.00 0.00 0.00 23.12 19.81 1rqr s ALA 234 CO 0.00 0.02 0.97 1.03 0.00 0.00 0.00 175.76 177.78 1rqr s ARG 235 N -1.75 4.73 -0.03 0.00 3.00 -1.26 -1.51 118.95 122.13 1rqr s ARG 235 Ca 0.48 1.48 0.01 0.00 0.00 0.00 0.00 55.73 57.70 1rqr s ARG 235 Cb -0.25 -3.35 0.02 0.00 0.00 0.00 0.00 34.95 31.38 1rqr s ARG 235 CO 0.31 0.28 -0.02 -0.51 0.00 0.00 0.00 175.30 175.36 1rqr s LEU 236 N -0.32 1.42 -0.10 2.53 1.43 -0.67 -4.47 118.68 118.51 1rqr s LEU 236 Ca 0.46 -0.06 -0.12 0.00 -1.03 0.00 0.00 54.13 53.38 1rqr s LEU 236 Cb -0.24 -0.26 -0.05 0.00 0.03 0.00 0.00 46.19 45.67 1rqr s LEU 236 CO 0.31 -0.05 0.27 -0.60 0.23 0.00 0.00 176.35 176.51 1rqr s ARG 237 N 0.70 3.87 -0.09 1.70 3.52 -0.66 -2.15 118.95 125.85 1rqr s ARG 237 Ca -0.08 0.11 -0.02 0.00 -0.13 0.00 0.00 55.73 55.62 1rqr s ARG 237 Cb -0.11 -3.28 0.04 0.00 -1.56 0.00 0.00 34.95 30.04 1rqr s ARG 237 CO -0.01 0.57 0.04 -1.17 -0.81 0.00 0.00 175.30 173.92 1rqr s LEU 238 N -0.54 0.43 -0.30 -0.88 2.96 -0.03 -1.85 118.68 118.47 1rqr s LEU 238 Ca 0.18 -0.17 -0.01 0.00 -0.22 0.00 0.00 54.13 53.91 1rqr s LEU 238 Cb -0.14 -0.30 0.05 0.00 0.50 0.00 0.00 46.19 46.30 1rqr s LEU 238 CO 0.07 -0.25 -0.01 -0.89 -1.32 0.00 0.00 176.35 173.95 1rqr s THR 239 N 2.07 2.92 -0.03 3.68 2.01 0.04 -1.07 115.64 125.26 1rqr s THR 239 Ca 0.04 -1.41 -0.15 0.00 0.31 0.00 0.00 61.69 60.48 1rqr s THR 239 Cb -0.13 -2.68 -0.05 0.00 0.01 0.00 0.00 72.50 69.64 1rqr s THR 239 CO -0.05 -0.11 0.40 -0.76 -0.69 0.00 0.00 174.62 173.41 1rqr s LEU 240 N 1.24 4.43 -1.97 4.42 1.43 -0.14 -2.55 118.68 125.54 1rqr s LEU 240 Ca -0.05 0.90 0.00 0.00 -1.03 0.00 0.00 54.13 53.95 1rqr s LEU 240 Cb -0.20 -2.57 0.00 0.00 0.03 0.00 0.00 46.19 43.45 1rqr s LEU 240 CO -0.01 0.27 0.00 -0.67 0.23 0.00 0.00 176.35 176.17 1rqr n ASP 241 N 2.18 -5.24 0.00 2.29 2.03 -1.06 -2.61 116.55 114.13 1rqr n ASP 241 Ca -0.13 0.46 0.00 0.00 0.52 0.00 0.00 54.79 55.64 1rqr n ASP 241 Cb 0.52 -4.37 0.00 0.00 -0.72 0.00 0.00 41.12 36.55 1rqr n ASP 241 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1rqr n GLY 242 N -0.69 2.41 0.53 0.27 0.00 -1.26 -4.71 105.19 101.75 1rqr n GLY 242 Ca -0.19 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.70 1rqr n GLY 242 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1rqr n VAL 243 N -1.04 0.73 -2.62 1.61 0.24 -1.10 -4.92 118.33 111.23 1rqr n VAL 243 Ca 0.00 -0.20 -0.43 0.00 -2.04 0.00 0.00 64.34 61.68 1rqr n VAL 243 Cb 0.00 -1.60 -0.02 0.00 -1.47 0.00 0.00 33.84 30.74 1rqr n VAL 243 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1rqr s LEU 244 N -6.62 3.59 0.68 1.34 1.43 -1.07 -4.95 118.68 113.08 1rqr s LEU 244 Ca -0.18 0.20 -0.03 0.00 -1.03 0.00 0.00 54.13 53.09 1rqr s LEU 244 Cb 0.07 -3.28 0.09 0.00 0.03 0.00 0.00 46.19 43.10 1rqr s LEU 244 CO 0.24 -1.36 0.96 -2.16 0.23 0.00 0.00 176.35 174.25 1rqr s PRO 245 N 4.65 1.99 -0.25 1.29 0.04 -1.26 -0.97 135.00 140.50 1rqr s PRO 245 Ca 0.44 -0.75 -0.11 0.00 0.04 0.00 0.00 61.00 60.62 1rqr s PRO 245 Cb -0.08 -2.30 0.09 0.00 0.04 0.00 0.00 34.50 32.25 1rqr s PRO 245 CO 0.27 -1.25 0.57 -0.06 0.04 0.00 0.00 177.00 176.57 1rqr s PHE 246 N -3.11 -0.99 -0.13 0.56 0.08 -0.23 -4.92 117.98 109.23 1rqr s PHE 246 Ca 0.63 1.89 -0.01 0.00 0.12 0.00 0.00 56.93 59.56 1rqr s PHE 246 Cb -0.08 0.54 -0.02 0.00 -0.57 0.00 0.00 43.02 42.89 1rqr s PHE 246 CO 0.43 -0.52 -0.10 -1.21 -0.10 0.00 0.00 175.22 173.72 1rqr s GLU 247 N 2.12 3.39 -0.13 0.44 2.02 -1.26 -0.85 118.70 124.42 1rqr s GLU 247 Ca -0.07 -0.63 -0.31 0.00 0.02 0.00 0.00 54.97 53.99 1rqr s GLU 247 Cb -0.09 -2.70 0.13 0.00 0.10 0.00 0.00 34.13 31.57 1rqr s GLU 247 CO -0.17 0.27 1.03 0.00 0.02 0.00 0.00 175.26 176.42 1rqr s ALA 248 N 0.22 -1.94 0.69 5.21 0.00 -0.92 -4.95 121.76 120.06 1rqr s ALA 248 Ca -0.06 1.46 -0.15 0.00 0.00 0.00 0.00 51.96 53.21 1rqr s ALA 248 Cb -0.15 -0.36 0.01 0.00 0.00 0.00 0.00 23.12 22.63 1rqr s ALA 248 CO 0.04 -0.46 1.13 -1.25 0.00 0.00 0.00 175.76 175.23 1rqr s PRO 249 N -1.89 2.58 -0.37 0.00 0.04 -1.26 -1.66 135.00 132.43 1rqr s PRO 249 Ca 0.03 1.47 -0.29 0.00 0.04 0.00 0.00 61.00 62.25 1rqr s PRO 249 Cb -0.01 -1.92 0.02 0.00 0.04 0.00 0.00 34.50 32.64 1rqr s PRO 249 CO -0.03 -1.44 1.08 -1.17 0.04 0.00 0.00 177.00 175.48 1rqr s LEU 250 N -5.02 3.85 0.32 -3.56 2.96 -0.57 -3.94 118.68 112.72 1rqr s LEU 250 Ca 0.68 0.83 0.09 0.00 -0.22 0.00 0.00 54.13 55.52 1rqr s LEU 250 Cb -0.22 -3.52 -0.05 0.00 0.50 0.00 0.00 46.19 42.90 1rqr s LEU 250 CO 0.43 -0.99 0.01 0.42 -1.32 0.00 0.00 176.35 174.90 1rqr s THR 251 N 3.89 2.81 0.10 3.68 -4.23 -0.15 -0.59 115.64 121.15 1rqr s THR 251 Ca 0.46 -1.96 0.19 0.00 -1.18 0.00 0.00 61.69 59.20 1rqr s THR 251 Cb -0.11 -2.79 0.14 0.00 1.34 0.00 0.00 72.50 71.09 1rqr s THR 251 CO 0.21 -0.24 1.70 -0.65 -0.54 0.00 0.00 174.62 175.10 1rqr h PRO 252 N 1.82 0.00 -3.82 3.99 0.11 -1.95 -3.35 132.00 128.80 1rqr h PRO 252 Ca -0.43 0.00 -0.16 0.00 0.11 0.00 0.00 66.00 65.52 1rqr h PRO 252 Cb 1.25 0.00 -0.08 0.00 0.11 0.00 0.00 31.00 32.28 1rqr h PRO 252 CO 0.65 0.36 -0.12 -0.08 -0.21 0.00 0.00 178.00 178.60 1rqr s THR 253 N -3.50 0.00 0.26 -1.15 -1.32 -1.26 -4.54 115.64 104.13 1rqr s THR 253 Ca 0.01 -1.47 -0.02 0.00 -1.21 0.00 0.00 61.69 59.00 1rqr s THR 253 Cb 0.10 -2.49 0.12 0.00 -1.51 0.00 0.00 72.50 68.72 1rqr s THR 253 CO 0.69 0.00 1.76 -0.26 -2.21 0.00 0.00 174.62 174.60 1rqr h PHE 254 N 2.17 0.86 0.00 9.09 0.04 -1.96 -3.14 116.94 124.01 1rqr h PHE 254 Ca -0.28 -0.12 0.00 0.00 2.80 0.00 0.00 57.97 60.37 1rqr h PHE 254 Cb 1.25 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 39.16 1rqr h PHE 254 CO 1.00 0.78 0.00 0.00 -0.60 0.00 0.00 178.31 179.49 1rqr h ALA 255 N 1.26 1.00 0.00 2.45 0.00 -1.96 -2.84 119.26 119.17 1rqr h ALA 255 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1rqr h ALA 255 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1rqr h ALA 255 CO 0.02 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.02 1rqr n ASP 256 N -2.71 0.35 0.00 0.00 8.00 -1.19 -2.89 116.55 118.11 1rqr n ASP 256 Ca 0.02 0.61 0.14 0.00 0.71 0.00 0.00 54.79 56.26 1rqr n ASP 256 Cb 0.32 -0.67 0.64 0.00 -0.02 0.00 0.00 41.12 41.39 1rqr n ASP 256 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rqr n ALA 257 N -1.65 2.33 0.00 2.24 0.00 -1.07 -5.01 120.51 117.35 1rqr n ALA 257 Ca 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1rqr n ALA 257 Cb 0.15 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.14 1rqr n ALA 257 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rqr n GLY 258 N 1.36 0.91 3.72 0.00 0.00 -1.14 -4.72 105.19 105.31 1rqr n GLY 258 Ca 0.09 -1.12 -0.30 0.00 0.00 0.00 0.00 46.02 44.68 1rqr n GLY 258 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rqr s GLU 259 N 0.00 1.55 0.29 1.61 0.41 -1.26 -4.94 118.70 116.36 1rqr s GLU 259 Ca 0.00 1.06 -0.30 0.00 -0.41 0.00 0.00 54.97 55.32 1rqr s GLU 259 Cb 0.00 -1.82 -0.11 0.00 -1.78 0.00 0.00 34.13 30.42 1rqr s GLU 259 CO 0.00 -2.10 1.50 0.42 -0.49 0.00 0.00 175.26 174.58 1rqr s ILE 260 N -2.87 2.36 0.00 -1.63 1.01 -1.26 -2.54 121.20 116.27 1rqr s ILE 260 Ca 0.63 0.31 0.00 0.00 0.00 0.00 0.00 60.65 61.59 1rqr s ILE 260 Cb -0.18 -3.20 0.00 0.00 0.01 0.00 0.00 42.46 39.09 1rqr s ILE 260 CO 0.57 0.05 0.00 0.61 0.00 0.00 0.00 174.94 176.17 1rqr n GLY 261 N 1.89 2.67 3.78 6.18 0.00 -0.29 -4.97 105.19 114.45 1rqr n GLY 261 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 1rqr n GLY 261 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rqr s ASN 262 N -1.37 5.29 0.02 1.61 -0.87 -1.05 -4.50 114.94 114.07 1rqr s ASN 262 Ca 0.00 1.94 -0.30 0.00 -1.57 0.00 0.00 52.86 52.92 1rqr s ASN 262 Cb 0.00 -2.54 -0.04 0.00 -0.02 0.00 0.00 41.25 38.65 1rqr s ASN 262 CO 0.00 -1.51 1.09 -0.63 -2.57 0.00 0.00 177.10 173.48 1rqr s ILE 263 N -2.40 4.47 -0.14 0.60 -1.09 -1.26 -1.44 121.20 119.93 1rqr s ILE 263 Ca 0.66 1.77 0.01 0.00 -2.23 0.00 0.00 60.65 60.86 1rqr s ILE 263 Cb -0.19 -4.13 -0.00 0.00 -1.58 0.00 0.00 42.46 36.55 1rqr s ILE 263 CO 0.41 0.12 -0.18 0.00 -1.23 0.00 0.00 174.94 174.07 1rqr s ALA 264 N 1.15 2.42 -0.18 9.38 0.00 -0.40 -4.76 121.76 129.36 1rqr s ALA 264 Ca 0.55 -1.03 -0.07 0.00 0.00 0.00 0.00 51.96 51.41 1rqr s ALA 264 Cb -0.25 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.71 1rqr s ALA 264 CO 0.28 0.04 0.05 0.42 0.00 0.00 0.00 175.76 176.54 1rqr s ILE 265 N 0.71 4.60 0.33 0.00 1.01 -1.25 -1.25 121.20 125.34 1rqr s ILE 265 Ca -0.08 -0.10 -0.08 0.00 0.00 0.00 0.00 60.65 60.39 1rqr s ILE 265 Cb -0.16 -3.07 0.01 0.00 0.01 0.00 0.00 42.46 39.25 1rqr s ILE 265 CO 0.01 0.46 0.54 -0.72 0.00 0.00 0.00 174.94 175.23 1rqr s TYR 266 N 0.45 0.68 -0.24 3.97 -0.85 -0.64 -0.97 117.35 119.74 1rqr s TYR 266 Ca 0.02 -1.04 -0.08 0.00 -0.52 0.00 0.00 57.07 55.45 1rqr s TYR 266 Cb -0.13 0.18 -0.04 0.00 0.38 0.00 0.00 41.96 42.36 1rqr s TYR 266 CO 0.01 -1.19 0.09 -0.51 -1.52 0.00 0.00 175.55 172.43 1rqr s LEU 267 N -3.14 3.62 1.09 -3.49 1.43 -1.26 -0.47 118.68 116.46 1rqr s LEU 267 Ca 0.25 -0.11 -0.15 0.00 -1.03 0.00 0.00 54.13 53.08 1rqr s LEU 267 Cb -0.01 -1.97 0.24 0.00 0.03 0.00 0.00 46.19 44.47 1rqr s LEU 267 CO 0.15 0.00 1.10 0.54 0.23 0.00 0.00 176.35 178.38 1rqr s ASN 268 N 1.40 1.83 0.00 2.29 2.20 0.18 -4.86 114.94 117.98 1rqr s ASN 268 Ca 0.06 0.91 0.12 0.00 -0.94 0.00 0.00 52.86 53.01 1rqr s ASN 268 Cb -0.15 -1.38 0.70 0.00 -2.00 0.00 0.00 41.25 38.42 1rqr s ASN 268 CO 0.05 -3.59 1.17 -1.54 -2.94 0.00 0.00 177.10 170.24 1rqr n SER 269 N -4.45 0.00 -0.48 3.54 3.41 -1.26 -1.84 113.62 112.55 1rqr n SER 269 Ca 0.09 -0.29 0.07 0.00 -0.26 0.00 0.00 58.87 58.48 1rqr n SER 269 Cb 0.58 -0.05 0.17 0.00 -0.26 0.00 0.00 64.21 64.65 1rqr n SER 269 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1rqr n ARG 270 N -1.05 2.47 -0.79 4.33 5.12 -1.26 -3.91 116.66 121.56 1rqr n ARG 270 Ca 0.08 -2.41 0.00 0.00 -1.93 0.00 0.00 57.85 53.59 1rqr n ARG 270 Cb 0.05 -1.51 0.00 0.00 -1.16 0.00 0.00 32.46 29.84 1rqr n ARG 270 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1rqr n GLY 271 N -0.57 0.73 3.75 -0.13 0.00 -0.76 -4.70 105.19 103.50 1rqr n GLY 271 Ca 0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.82 1rqr n GLY 271 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1rqr s TYR 272 N -2.68 3.28 0.27 1.61 2.02 -1.26 -1.10 117.35 119.50 1rqr s TYR 272 Ca 0.00 0.27 -0.30 0.00 -0.37 0.00 0.00 57.07 56.67 1rqr s TYR 272 Cb 0.00 -1.81 -0.11 0.00 -0.40 0.00 0.00 41.96 39.64 1rqr s TYR 272 CO 0.00 0.55 1.62 -1.17 -1.57 0.00 0.00 175.55 174.97 1rqr s LEU 273 N -1.12 4.35 0.18 -1.29 2.96 0.01 -0.64 118.68 123.13 1rqr s LEU 273 Ca 0.16 2.92 -0.07 0.00 -0.22 0.00 0.00 54.13 56.93 1rqr s LEU 273 Cb -0.12 -3.63 -0.02 0.00 0.50 0.00 0.00 46.19 42.93 1rqr s LEU 273 CO 0.05 -0.92 0.25 -0.44 -1.32 0.00 0.00 176.35 173.97 1rqr s SER 274 N 0.64 0.09 -0.05 3.68 0.01 0.38 -1.70 113.70 116.74 1rqr s SER 274 Ca 0.66 -1.05 -0.07 0.00 1.31 0.00 0.00 55.95 56.79 1rqr s SER 274 Cb -0.48 0.43 0.02 0.00 0.21 0.00 0.00 66.02 66.19 1rqr s SER 274 CO 0.44 -0.90 0.19 -0.51 0.41 0.00 0.00 173.24 172.87 1rqr s ILE 275 N -4.03 0.02 0.38 1.44 2.07 -0.11 -1.63 121.20 119.34 1rqr s ILE 275 Ca 0.24 -0.19 -0.09 0.00 -1.41 0.00 0.00 60.65 59.19 1rqr s ILE 275 Cb 0.04 -0.34 0.04 0.00 0.13 0.00 0.00 42.46 42.33 1rqr s ILE 275 CO 0.05 -0.11 0.67 0.00 -1.91 0.00 0.00 174.94 173.64 1rqr n ALA 276 N 2.52 -1.19 -2.70 1.50 0.00 -0.38 -0.98 120.51 119.28 1rqr n ALA 276 Ca -0.15 -1.42 -0.29 0.00 0.00 0.00 0.00 53.44 51.57 1rqr n ALA 276 Cb 0.58 1.14 -0.08 0.00 0.00 0.00 0.00 19.45 21.09 1rqr n ALA 276 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1rqr s ARG 277 N -2.38 2.57 -0.81 0.00 0.52 -1.25 -1.27 118.95 116.34 1rqr s ARG 277 Ca 0.21 -0.87 -0.25 0.00 -0.52 0.00 0.00 55.73 54.30 1rqr s ARG 277 Cb -0.03 -2.53 -0.02 0.00 0.52 0.00 0.00 34.95 32.89 1rqr s ARG 277 CO 0.16 0.52 1.77 1.21 0.02 0.00 0.00 175.30 178.98 1rqr s ASN 278 N -2.47 5.50 -0.63 0.23 2.47 -0.52 -3.47 114.94 116.05 1rqr s ASN 278 Ca 0.27 -0.43 0.00 0.00 0.42 0.00 0.00 52.86 53.12 1rqr s ASN 278 Cb -0.11 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.14 1rqr s ASN 278 CO 0.19 -2.34 0.00 0.00 -3.72 0.00 0.00 177.10 171.23 1rqr n ALA 279 N 12.29 -0.17 -2.22 1.71 0.00 -1.26 -1.14 120.51 129.73 1rqr n ALA 279 Ca 0.28 0.07 -0.07 0.00 0.00 0.00 0.00 53.44 53.72 1rqr n ALA 279 Cb 0.49 -1.04 -0.10 0.00 0.00 0.00 0.00 19.45 18.80 1rqr n ALA 279 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rqr s ALA 280 N -2.31 0.45 0.13 0.00 0.00 -1.23 -4.79 121.76 114.01 1rqr s ALA 280 Ca 0.00 -1.12 -0.30 0.00 0.00 0.00 0.00 51.96 50.54 1rqr s ALA 280 Cb 0.00 0.26 -0.06 0.00 0.00 0.00 0.00 23.12 23.31 1rqr s ALA 280 CO 0.00 -0.34 0.97 0.45 0.00 0.00 0.00 175.76 176.83 1rqr s SER 281 N -2.72 7.50 -0.20 0.00 0.15 -1.26 -3.85 113.70 113.32 1rqr s SER 281 Ca 0.04 1.83 -0.07 0.00 0.70 0.00 0.00 55.95 58.45 1rqr s SER 281 Cb 0.06 -2.59 -0.20 0.00 -1.71 0.00 0.00 66.02 61.57 1rqr s SER 281 CO -0.09 -0.05 0.05 -0.11 1.20 0.00 0.00 173.24 174.24 1rqr n LEU 282 N 2.62 2.54 -0.18 3.45 7.94 -1.18 -4.58 117.00 127.62 1rqr n LEU 282 Ca 0.02 0.14 -0.10 0.00 -1.11 0.00 0.00 56.01 54.96 1rqr n LEU 282 Cb 0.49 -0.99 0.01 0.00 0.53 0.00 0.00 43.42 43.45 1rqr n LEU 282 CO 0.51 0.76 0.76 0.00 -1.11 0.00 0.00 177.39 178.31 1rqr h ALA 283 N -0.18 0.71 -0.11 1.96 0.00 -1.53 -3.35 119.26 116.77 1rqr h ALA 283 Ca -0.50 -0.33 -0.19 0.00 0.00 0.00 0.00 54.91 53.88 1rqr h ALA 283 Cb 1.83 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 19.44 1rqr h ALA 283 CO -0.08 0.60 -0.68 1.88 0.00 0.00 0.00 179.25 180.97 1rqr h TYR 284 N 0.84 0.89 -0.72 0.00 0.05 -1.81 0.14 116.97 116.36 1rqr h TYR 284 Ca 0.14 -0.41 -0.00 0.00 0.05 0.00 0.00 58.73 58.51 1rqr h TYR 284 Cb 0.63 -0.13 -0.04 0.00 1.01 0.00 0.00 36.73 38.21 1rqr h TYR 284 CO 0.05 1.22 0.44 -1.35 -1.05 0.00 0.00 178.16 177.47 1rqr h PRO 285 N 0.31 0.96 -0.39 4.88 0.11 -1.81 -3.18 132.00 132.88 1rqr h PRO 285 Ca -0.05 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.98 1rqr h PRO 285 Cb 1.32 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1rqr h PRO 285 CO 0.14 0.66 0.00 0.66 -0.21 0.00 0.00 178.00 179.25 1rqr n TYR 286 N -4.40 0.51 -3.10 0.65 4.01 -1.14 -4.97 117.16 108.72 1rqr n TYR 286 Ca 0.07 -0.34 -0.21 0.00 -0.16 0.00 0.00 57.90 57.27 1rqr n TYR 286 Cb 0.06 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.08 1rqr n TYR 286 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1rqr n HIS 287 N 1.10 -1.74 -1.61 -0.72 8.25 0.42 -4.95 115.22 115.98 1rqr n HIS 287 Ca 0.16 0.37 -0.36 0.00 -0.26 0.00 0.00 57.72 57.63 1rqr n HIS 287 Cb 0.51 -3.14 0.08 0.00 1.12 0.00 0.00 29.99 28.56 1rqr n HIS 287 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1rqr s LEU 288 N -6.32 3.48 0.01 2.41 1.43 -0.76 -5.03 118.68 113.90 1rqr s LEU 288 Ca 0.29 2.58 -0.11 0.00 -1.03 0.00 0.00 54.13 55.86 1rqr s LEU 288 Cb -0.15 -4.61 0.01 0.00 0.03 0.00 0.00 46.19 41.47 1rqr s LEU 288 CO 0.36 -2.15 0.23 -0.54 0.23 0.00 0.00 176.35 174.48 1rqr s LYS 289 N -3.53 0.63 0.73 1.70 1.02 -1.26 -4.86 119.74 114.16 1rqr s LYS 289 Ca 0.81 -0.39 -0.16 0.00 0.02 0.00 0.00 55.97 56.26 1rqr s LYS 289 Cb -0.36 0.27 0.03 0.00 -0.52 0.00 0.00 37.83 37.25 1rqr s LYS 289 CO 0.42 -0.17 1.19 -0.85 -0.92 0.00 0.00 175.35 175.02 1rqr n GLU 290 N 1.12 0.62 -0.56 1.68 0.28 -1.26 -4.83 120.64 117.70 1rqr n GLU 290 Ca -0.21 0.28 0.00 0.00 -0.16 0.00 0.00 57.16 57.07 1rqr n GLU 290 Cb 0.57 -2.43 0.00 0.00 1.43 0.00 0.00 31.44 31.00 1rqr n GLU 290 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1rqr n GLY 291 N 0.81 0.65 3.73 -1.84 0.00 -0.65 -5.00 105.19 102.89 1rqr n GLY 291 Ca 0.14 -0.58 -0.23 0.00 0.00 0.00 0.00 46.02 45.35 1rqr n GLY 291 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rqr s SER 293 N -2.18 4.78 -0.19 1.61 1.04 -1.26 -4.76 113.70 112.74 1rqr s SER 293 Ca 0.00 -0.67 -0.04 0.00 0.48 0.00 0.00 55.95 55.72 1rqr s SER 293 Cb 0.00 -0.84 0.09 0.00 0.10 0.00 0.00 66.02 65.38 1rqr s SER 293 CO 0.00 -0.21 0.27 0.00 0.98 0.00 0.00 173.24 174.28 1rqr s ALA 294 N -2.37 -0.55 -0.17 5.32 0.00 -0.89 -2.56 121.76 120.54 1rqr s ALA 294 Ca 0.36 0.63 -0.01 0.00 0.00 0.00 0.00 51.96 52.93 1rqr s ALA 294 Cb -0.04 -1.31 -0.01 0.00 0.00 0.00 0.00 23.12 21.76 1rqr s ALA 294 CO 0.23 -1.04 -0.11 0.50 0.00 0.00 0.00 175.76 175.34 1rqr s ARG 295 N 2.41 3.31 0.18 0.00 3.52 -1.06 0.01 118.95 127.32 1rqr s ARG 295 Ca 0.06 -0.69 0.09 0.00 -0.13 0.00 0.00 55.73 55.07 1rqr s ARG 295 Cb -0.14 -2.77 -0.04 0.00 -1.56 0.00 0.00 34.95 30.44 1rqr s ARG 295 CO -0.12 -0.02 -0.12 0.54 -0.81 0.00 0.00 175.30 174.77 1rqr s VAL 296 N 0.95 3.06 -0.18 7.11 0.11 -0.62 -0.78 120.40 130.05 1rqr s VAL 296 Ca -0.02 -1.69 -0.28 0.00 -2.93 0.00 0.00 61.98 57.06 1rqr s VAL 296 Cb -0.15 -2.50 0.09 0.00 -1.53 0.00 0.00 36.38 32.29 1rqr s VAL 296 CO -0.01 -0.09 0.82 -1.83 -3.33 0.00 0.00 175.10 170.66 1rqr s GLU 297 N -2.75 0.80 0.00 1.54 -1.05 -0.77 -1.41 118.70 115.06 1rqr s GLU 297 Ca 0.24 0.51 0.27 0.00 -0.15 0.00 0.00 54.97 55.84 1rqr s GLU 297 Cb -0.09 0.38 0.83 0.00 -0.44 0.00 0.00 34.13 34.81 1rqr s GLU 297 CO 0.14 -0.19 1.62 0.00 0.95 0.00 0.00 175.26 177.79