#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2grq n SER 2 N 0.00 4.54 -0.33 7.83 3.41 -1.26 -4.70 113.62 123.11 2grq n SER 2 Ca 0.00 -2.90 0.13 0.00 -0.26 0.00 0.00 58.87 55.83 2grq n SER 2 Cb 0.00 -0.58 0.34 0.00 -0.26 0.00 0.00 64.21 63.71 2grq n SER 2 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2grq h GLY 3 N 2.72 1.55 1.00 5.00 0.00 -1.98 0.17 103.07 111.53 2grq h GLY 3 Ca 0.00 -0.34 -0.13 0.00 0.00 0.00 0.00 47.33 46.86 2grq h GLY 3 CO 0.31 0.01 -0.30 -2.22 0.00 0.00 0.00 176.54 174.33 2grq h ILE 4 N 0.75 1.30 -0.53 2.60 2.04 -1.89 -1.57 117.51 120.20 2grq h ILE 4 Ca 0.53 -1.47 -0.03 0.00 1.00 0.00 0.00 64.86 64.89 2grq h ILE 4 Cb 0.85 1.54 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 2grq h ILE 4 CO -0.31 0.48 0.21 0.00 0.00 0.00 0.00 178.15 178.53 2grq h ALA 5 N 0.72 0.69 -0.45 1.87 0.00 -1.28 -2.41 119.26 118.40 2grq h ALA 5 Ca 0.05 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2grq h ALA 5 Cb 0.88 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 2grq h ALA 5 CO 0.08 0.30 0.09 -0.07 0.00 0.00 0.00 179.25 179.64 2grq h LEU 6 N 0.72 0.63 -0.14 0.00 3.38 -0.92 0.39 115.31 119.37 2grq h LEU 6 Ca 0.18 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2grq h LEU 6 Cb 0.20 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2grq h LEU 6 CO -0.01 0.65 0.05 0.28 0.09 0.00 0.00 178.44 179.49 2grq h SER 7 N 0.66 0.21 -0.21 -0.43 0.02 -1.02 -0.86 113.55 111.92 2grq h SER 7 Ca 0.15 -0.20 -0.01 0.00 -0.84 0.00 0.00 61.79 60.89 2grq h SER 7 Cb 0.28 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 2grq h SER 7 CO 0.00 0.35 0.10 -0.09 -1.14 0.00 0.00 176.83 176.05 2grq h ARG 8 N 0.05 0.30 -0.55 3.45 9.65 -1.14 -2.86 114.38 123.27 2grq h ARG 8 Ca 0.05 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 58.85 2grq h ARG 8 Cb 0.21 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.71 2grq h ARG 8 CO -0.00 0.32 0.21 -0.07 2.80 0.00 0.00 179.97 183.23 2grq h LEU 9 N 0.21 0.73 -0.91 3.80 3.38 -0.85 -0.50 115.31 121.17 2grq h LEU 9 Ca 0.07 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2grq h LEU 9 Cb 0.12 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 2grq h LEU 9 CO -0.01 0.66 0.58 0.00 0.09 0.00 0.00 178.44 179.76 2grq h ALA 10 N 1.45 1.15 -0.06 1.53 0.00 -1.02 -0.50 119.26 121.81 2grq h ALA 10 Ca 0.19 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 2grq h ALA 10 Cb 0.17 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2grq h ALA 10 CO -0.02 0.58 -0.68 1.96 0.00 0.00 0.00 179.25 181.09 2grq h GLN 11 N 1.24 0.27 -0.03 0.00 1.08 -1.14 -2.48 115.11 114.05 2grq h GLN 11 Ca 0.33 -0.21 -0.11 0.00 -1.45 0.00 0.00 58.65 57.21 2grq h GLN 11 Cb -0.10 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.35 2grq h GLN 11 CO -0.07 0.85 -0.48 0.93 -0.95 0.00 0.00 178.83 179.10 2grq h GLU 12 N 0.19 0.07 -0.20 1.46 5.08 -0.59 -0.71 114.58 119.88 2grq h GLU 12 Ca -0.02 -0.04 -0.06 0.00 -1.00 0.00 0.00 59.36 58.25 2grq h GLU 12 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.47 2grq h GLU 12 CO 0.11 0.54 -0.09 -0.09 -1.00 0.00 0.00 179.01 178.47 2grq h ARG 13 N 0.05 0.41 -0.75 2.33 2.43 -0.97 -0.27 114.38 117.61 2grq h ARG 13 Ca -0.00 -0.18 -0.04 0.00 -0.81 0.00 0.00 59.98 58.95 2grq h ARG 13 Cb 0.88 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.38 2grq h ARG 13 CO 0.07 0.70 0.32 0.87 -1.51 0.00 0.00 179.97 180.42 2grq h LYS 14 N 0.11 1.10 -0.29 0.20 1.57 -1.21 -0.60 116.57 117.45 2grq h LYS 14 Ca 0.04 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.59 2grq h LYS 14 Cb 0.57 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 2grq h LYS 14 CO 0.03 0.88 -0.04 0.00 -0.57 0.00 0.00 179.45 179.74 2grq h ALA 15 N 1.27 0.40 -0.26 3.86 0.00 -1.04 -1.63 119.26 121.86 2grq h ALA 15 Ca 0.26 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2grq h ALA 15 Cb 0.17 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2grq h ALA 15 CO -0.03 0.19 0.15 2.35 0.00 0.00 0.00 179.25 181.92 2grq h TRP 16 N 0.32 0.35 -0.68 0.00 2.91 -0.79 -2.14 115.95 115.92 2grq h TRP 16 Ca 0.08 -0.00 0.01 0.00 1.13 0.00 0.00 58.89 60.10 2grq h TRP 16 Cb 0.50 -0.11 -0.03 0.00 -0.51 0.00 0.00 29.16 29.01 2grq h TRP 16 CO 0.04 0.28 0.45 0.00 -1.03 0.00 0.00 178.44 178.18 2grq h ARG 17 N 0.32 0.90 -0.63 2.65 3.08 -1.04 -2.45 114.38 117.22 2grq h ARG 17 Ca 0.09 -0.06 -0.09 0.00 0.07 0.00 0.00 59.98 60.00 2grq h ARG 17 Cb 0.03 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 2grq h ARG 17 CO -0.02 0.60 0.06 -0.22 -1.07 0.00 0.00 179.97 179.32 2grq h LYS 18 N 0.93 1.07 -1.66 0.04 3.64 -0.92 -3.45 116.57 116.22 2grq h LYS 18 Ca 0.25 -0.31 0.09 0.00 -1.27 0.00 0.00 60.65 59.41 2grq h LYS 18 Cb -0.10 -0.11 -0.24 0.00 -0.41 0.00 0.00 32.23 31.37 2grq h LYS 18 CO -0.05 1.01 0.18 0.34 -2.27 0.00 0.00 179.45 178.66 2grq s ASP 19 N -6.50 -0.74 0.15 4.20 2.15 -0.84 -5.11 116.67 109.99 2grq s ASP 19 Ca -0.12 1.13 -0.13 0.00 0.43 0.00 0.00 52.55 53.86 2grq s ASP 19 Cb 0.14 1.48 0.01 0.00 -0.30 0.00 0.00 42.92 44.24 2grq s ASP 19 CO 0.85 -0.17 0.36 -1.38 -0.17 0.00 0.00 175.17 174.65 2grq s HIS 20 N 1.81 0.11 0.30 -5.34 -3.43 -1.23 -4.45 115.29 103.05 2grq s HIS 20 Ca -0.08 -0.47 -0.29 0.00 -0.80 0.00 0.00 55.06 53.42 2grq s HIS 20 Cb -0.06 0.12 -0.11 0.00 -1.43 0.00 0.00 32.58 31.11 2grq s HIS 20 CO -0.17 -0.74 1.50 -1.25 -2.00 0.00 0.00 174.74 172.07 2grq s PRO 21 N -3.90 4.19 0.42 -0.38 0.04 -1.26 -4.93 135.00 129.18 2grq s PRO 21 Ca 0.10 2.45 -0.26 0.00 0.04 0.00 0.00 61.00 63.34 2grq s PRO 21 Cb 0.02 -3.04 -0.09 0.00 0.04 0.00 0.00 34.50 31.42 2grq s PRO 21 CO -0.05 -0.50 1.44 0.34 0.04 0.00 0.00 177.00 178.27 2grq n PHE 22 N 1.77 2.76 0.00 0.56 7.35 -1.26 -2.32 117.46 126.32 2grq n PHE 22 Ca 0.06 0.45 0.00 0.00 -0.76 0.00 0.00 57.45 57.19 2grq n PHE 22 Cb 0.39 -2.48 0.00 0.00 0.35 0.00 0.00 39.48 37.74 2grq n PHE 22 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2grq n GLY 23 N 0.55 3.24 3.85 7.13 0.00 -1.26 -4.95 105.19 113.75 2grq n GLY 23 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 2grq n GLY 23 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2grq s PHE 24 N -2.02 3.39 -0.02 1.61 0.40 -0.98 -4.34 117.98 116.02 2grq s PHE 24 Ca 0.00 1.21 0.03 0.00 -0.60 0.00 0.00 56.93 57.57 2grq s PHE 24 Cb 0.00 -2.54 0.00 0.00 0.51 0.00 0.00 43.02 40.99 2grq s PHE 24 CO 0.00 0.02 -0.09 0.08 0.70 0.00 0.00 175.22 175.93 2grq s VAL 25 N -2.10 0.80 -0.29 -0.44 1.01 -0.58 -4.95 120.40 113.85 2grq s VAL 25 Ca 0.54 -0.38 0.03 0.00 0.00 0.00 0.00 61.98 62.17 2grq s VAL 25 Cb -0.10 -0.70 0.18 0.00 0.00 0.00 0.00 36.38 35.75 2grq s VAL 25 CO 0.20 0.24 0.49 0.00 0.00 0.00 0.00 175.10 176.04 2grq s ALA 26 N 0.11 -1.72 -0.02 5.51 0.00 -1.26 -0.72 121.76 123.66 2grq s ALA 26 Ca -0.02 0.67 0.01 0.00 0.00 0.00 0.00 51.96 52.63 2grq s ALA 26 Cb -0.08 -2.24 0.01 0.00 0.00 0.00 0.00 23.12 20.82 2grq s ALA 26 CO 0.00 -1.73 -0.05 0.14 0.00 0.00 0.00 175.76 174.13 2grq s VAL 27 N 2.67 0.46 0.41 0.00 -7.23 -0.59 -4.97 120.40 111.16 2grq s VAL 27 Ca 0.11 -0.16 -0.26 0.00 -1.81 0.00 0.00 61.98 59.86 2grq s VAL 27 Cb -0.12 -0.45 -0.09 0.00 0.56 0.00 0.00 36.38 36.28 2grq s VAL 27 CO -0.27 0.17 1.38 -2.84 -0.31 0.00 0.00 175.10 173.23 2grq s PRO 28 N 0.44 3.90 1.03 4.82 0.02 -1.26 -0.54 135.00 143.41 2grq s PRO 28 Ca -0.05 2.33 -0.16 0.00 0.02 0.00 0.00 61.00 63.13 2grq s PRO 28 Cb -0.09 -2.77 0.21 0.00 0.02 0.00 0.00 34.50 31.88 2grq s PRO 28 CO -0.00 -0.61 1.21 0.95 -0.33 0.00 0.00 177.00 178.21 2grq s THR 29 N -1.21 1.86 0.11 0.99 -4.23 0.50 -4.78 115.64 108.88 2grq s THR 29 Ca 0.57 0.00 0.07 0.00 -1.18 0.00 0.00 61.69 61.15 2grq s THR 29 Cb -0.42 -2.77 -0.04 0.00 1.34 0.00 0.00 72.50 70.61 2grq s THR 29 CO 0.54 0.00 -0.08 -0.54 -0.54 0.00 0.00 174.62 174.00 2grq s LYS 30 N -5.59 2.20 0.63 3.99 -0.14 -1.26 -0.36 119.74 119.21 2grq s LYS 30 Ca 0.70 -1.00 -0.06 0.00 -1.36 0.00 0.00 55.97 54.25 2grq s LYS 30 Cb -0.08 -2.34 0.02 0.00 -1.68 0.00 0.00 37.83 33.75 2grq s LYS 30 CO 0.54 0.51 0.94 -0.80 -0.76 0.00 0.00 175.35 175.78 2grq s ASN 31 N -2.26 5.36 0.48 2.83 0.01 0.97 -4.77 114.94 117.56 2grq s ASN 31 Ca 0.22 0.66 0.21 0.00 -0.71 0.00 0.00 52.86 53.24 2grq s ASN 31 Cb -0.11 -1.54 1.24 0.00 0.41 0.00 0.00 41.25 41.25 2grq s ASN 31 CO 0.15 -1.24 1.96 -0.65 -1.51 0.00 0.00 177.10 175.81 2grq h PRO 32 N -0.33 0.18 -0.06 -0.60 0.11 -2.00 -0.49 132.00 128.82 2grq h PRO 32 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2grq h PRO 32 Cb 1.27 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2grq h PRO 32 CO 0.61 0.12 0.00 -0.40 -0.21 0.00 0.00 178.00 178.12 2grq n ASP 33 N -4.42 0.48 0.00 -2.05 5.75 -1.26 -4.89 116.55 110.15 2grq n ASP 33 Ca 0.12 -1.61 0.00 0.00 -0.01 0.00 0.00 54.79 53.28 2grq n ASP 33 Cb 0.57 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.62 2grq n ASP 33 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2grq n GLY 34 N 0.83 2.21 3.81 6.12 0.00 -0.19 -5.05 105.19 112.92 2grq n GLY 34 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 2grq n GLY 34 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2grq s THR 35 N -2.32 3.75 0.25 2.61 -4.23 -1.26 -4.68 115.64 109.76 2grq s THR 35 Ca 0.00 0.57 -0.30 0.00 -1.18 0.00 0.00 61.69 60.78 2grq s THR 35 Cb 0.00 -3.27 -0.09 0.00 1.34 0.00 0.00 72.50 70.48 2grq s THR 35 CO 0.00 -0.74 1.10 -0.04 -0.54 0.00 0.00 174.62 174.40 2grq s MET 36 N -5.04 4.63 -0.67 3.99 -1.94 -1.26 -0.02 119.30 118.99 2grq s MET 36 Ca 0.59 1.78 -0.09 0.00 -1.71 0.00 0.00 55.69 56.26 2grq s MET 36 Cb -0.15 -3.21 0.17 0.00 2.01 0.00 0.00 34.83 33.66 2grq s MET 36 CO 0.55 0.18 0.55 1.21 -0.01 0.00 0.00 175.02 177.50 2grq s ASN 37 N -0.67 5.92 0.10 3.03 3.04 0.52 -4.74 114.94 122.15 2grq s ASN 37 Ca 0.46 -2.60 0.16 0.00 0.04 0.00 0.00 52.86 50.92 2grq s ASN 37 Cb -0.31 -2.03 0.68 0.00 -1.54 0.00 0.00 41.25 38.05 2grq s ASN 37 CO 0.39 -0.52 1.49 0.18 -3.04 0.00 0.00 177.10 175.60 2grq n LEU 38 N 3.97 0.25 -0.15 3.21 4.77 -1.26 -2.51 117.00 125.27 2grq n LEU 38 Ca 0.07 0.57 0.13 0.00 -0.03 0.00 0.00 56.01 56.75 2grq n LEU 38 Cb 0.42 -0.55 0.48 0.00 -2.33 0.00 0.00 43.42 41.44 2grq n LEU 38 CO 0.36 -0.44 0.75 0.23 -1.33 0.00 0.00 177.39 176.95 2grq n MET 39 N -1.78 0.65 -3.61 3.23 2.81 -1.26 -4.71 117.12 112.44 2grq n MET 39 Ca 0.02 -0.31 -0.27 0.00 -1.81 0.00 0.00 57.70 55.34 2grq n MET 39 Cb 0.15 -1.49 -0.17 0.00 -0.71 0.00 0.00 33.22 31.00 2grq n MET 39 CO 0.00 0.00 0.00 1.21 1.51 0.00 0.00 175.97 178.69 2grq s ASN 40 N -2.56 2.65 -0.04 7.83 3.84 -1.04 -1.27 114.94 124.35 2grq s ASN 40 Ca 0.25 -0.77 0.02 0.00 0.21 0.00 0.00 52.86 52.56 2grq s ASN 40 Cb 0.19 -0.31 -0.03 0.00 -0.55 0.00 0.00 41.25 40.55 2grq s ASN 40 CO 0.52 -0.36 -0.06 0.26 -2.79 0.00 0.00 177.10 174.66 2grq s TRP 41 N 2.09 2.93 -0.26 0.43 0.52 -0.21 -0.37 118.94 124.07 2grq s TRP 41 Ca 0.03 0.00 -0.09 0.00 0.02 0.00 0.00 56.10 56.06 2grq s TRP 41 Cb -0.16 -1.67 -0.04 0.00 -1.15 0.00 0.00 33.47 30.45 2grq s TRP 41 CO -0.14 0.36 0.14 -1.21 0.02 0.00 0.00 176.95 176.11 2grq s GLU 42 N -1.08 3.85 0.36 4.98 2.02 0.30 -0.86 118.70 128.27 2grq s GLU 42 Ca 0.15 -0.38 0.06 0.00 0.02 0.00 0.00 54.97 54.82 2grq s GLU 42 Cb -0.11 -3.51 -0.07 0.00 0.10 0.00 0.00 34.13 30.54 2grq s GLU 42 CO 0.04 -0.15 0.00 0.00 0.02 0.00 0.00 175.26 175.17 2grq s ALA 44 N -2.90 -0.66 -0.16 0.00 0.00 0.10 -0.88 121.76 117.25 2grq s ALA 44 Ca 0.34 0.99 0.01 0.00 0.00 0.00 0.00 51.96 53.30 2grq s ALA 44 Cb 0.08 -0.61 0.01 0.00 0.00 0.00 0.00 23.12 22.60 2grq s ALA 44 CO 0.16 -0.18 -0.18 0.42 0.00 0.00 0.00 175.76 175.99 2grq s ILE 45 N 0.90 2.38 0.28 0.00 1.01 -0.07 -1.53 121.20 124.17 2grq s ILE 45 Ca -0.06 -0.85 -0.27 0.00 0.00 0.00 0.00 60.65 59.47 2grq s ILE 45 Cb -0.07 -2.00 -0.09 0.00 0.01 0.00 0.00 42.46 40.31 2grq s ILE 45 CO -0.06 0.52 0.91 -2.16 0.00 0.00 0.00 174.94 174.15 2grq s PRO 46 N 1.03 4.64 0.46 2.79 0.04 -1.26 -0.84 135.00 141.85 2grq s PRO 46 Ca -0.01 1.33 -0.24 0.00 0.04 0.00 0.00 61.00 62.11 2grq s PRO 46 Cb -0.15 -2.99 -0.07 0.00 0.04 0.00 0.00 34.50 31.33 2grq s PRO 46 CO -0.05 0.38 1.30 0.20 0.04 0.00 0.00 177.00 178.88 2grq s GLY 47 N -1.45 2.88 0.03 0.56 0.00 0.15 -4.93 107.32 104.56 2grq s GLY 47 Ca 0.46 1.22 -0.30 0.00 0.00 0.00 0.00 44.72 46.10 2grq s GLY 47 CO 0.26 1.77 1.29 1.25 0.00 0.00 0.00 173.10 177.67 2grq s LYS 48 N -2.52 4.35 0.37 2.90 2.20 -1.26 -4.43 119.74 121.35 2grq s LYS 48 Ca 0.62 1.86 -0.28 0.00 -0.36 0.00 0.00 55.97 57.81 2grq s LYS 48 Cb -0.37 -3.45 -0.11 0.00 -1.51 0.00 0.00 37.83 32.39 2grq s LYS 48 CO 0.47 -0.42 1.48 0.21 -0.36 0.00 0.00 175.35 176.72 2grq s LYS 49 N 1.72 4.12 0.00 4.03 2.20 -1.26 -2.20 119.74 128.36 2grq s LYS 49 Ca 0.61 2.56 0.00 0.00 -0.36 0.00 0.00 55.97 58.77 2grq s LYS 49 Cb -0.30 -2.97 0.00 0.00 -1.51 0.00 0.00 37.83 33.04 2grq s LYS 49 CO 0.27 -0.52 0.00 0.41 -0.36 0.00 0.00 175.35 175.15 2grq n GLY 50 N 0.54 0.75 3.55 5.54 0.00 -1.26 -5.00 105.19 109.30 2grq n GLY 50 Ca 0.01 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 2grq n GLY 50 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2grq s THR 51 N -2.70 2.31 -0.65 2.61 -4.23 -0.93 -5.01 115.64 107.04 2grq s THR 51 Ca 0.00 -2.20 0.12 0.00 -1.18 0.00 0.00 61.69 58.43 2grq s THR 51 Cb 0.00 -2.63 0.12 0.00 1.34 0.00 0.00 72.50 71.33 2grq s THR 51 CO 0.00 -0.22 1.36 -2.65 -0.54 0.00 0.00 174.62 172.57 2grq n PRO 52 N -0.79 0.07 0.00 3.99 -0.02 -1.26 -1.36 135.00 135.62 2grq n PRO 52 Ca -0.05 0.52 0.12 0.00 -2.02 0.00 0.00 63.50 62.07 2grq n PRO 52 Cb 0.63 -1.71 0.24 0.00 -0.02 0.00 0.00 33.50 32.65 2grq n PRO 52 CO 0.00 0.00 0.00 0.91 1.98 0.00 0.00 175.50 178.39 2grq n TRP 53 N -1.85 0.02 -1.62 6.00 7.02 -1.26 -4.01 117.44 121.74 2grq n TRP 53 Ca 0.00 0.01 -0.41 0.00 -1.02 0.00 0.00 57.50 56.08 2grq n TRP 53 Cb 0.05 -0.26 0.02 0.00 -2.42 0.00 0.00 31.31 28.70 2grq n TRP 53 CO 0.00 0.00 0.00 -1.91 -2.02 0.00 0.00 177.69 173.76 2grq n GLU 54 N -1.52 1.36 0.00 -0.99 2.13 -0.47 -2.47 120.64 118.67 2grq n GLU 54 Ca 0.05 0.49 0.00 0.00 0.66 0.00 0.00 57.16 58.36 2grq n GLU 54 Cb 0.34 -2.11 0.00 0.00 0.27 0.00 0.00 31.44 29.94 2grq n GLU 54 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2grq n GLY 55 N 1.15 3.21 3.89 8.31 0.00 -1.26 -4.81 105.19 115.69 2grq n GLY 55 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 2grq n GLY 55 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2grq s GLY 56 N -1.89 2.14 -0.26 -0.02 0.00 -1.03 -4.04 107.32 102.21 2grq s GLY 56 Ca 0.00 -0.50 0.02 0.00 0.00 0.00 0.00 44.72 44.24 2grq s GLY 56 CO 0.00 -0.41 -0.06 -2.27 0.00 0.00 0.00 173.10 170.36 2grq s LEU 57 N -2.93 3.16 -0.35 0.66 2.96 -0.02 -0.67 118.68 121.48 2grq s LEU 57 Ca 0.43 -1.38 -0.16 0.00 -0.22 0.00 0.00 54.13 52.80 2grq s LEU 57 Cb -0.11 -1.37 -0.01 0.00 0.50 0.00 0.00 46.19 45.19 2grq s LEU 57 CO 0.25 -0.24 0.38 -0.36 -1.32 0.00 0.00 176.35 175.06 2grq s PHE 58 N 1.23 3.20 0.26 5.38 0.08 -0.02 -4.81 117.98 123.30 2grq s PHE 58 Ca -0.05 -0.05 -0.29 0.00 0.12 0.00 0.00 56.93 56.65 2grq s PHE 58 Cb -0.19 -2.71 -0.09 0.00 -0.57 0.00 0.00 43.02 39.46 2grq s PHE 58 CO -0.06 -0.47 0.95 0.15 -0.10 0.00 0.00 175.22 175.69 2grq s LYS 59 N 2.05 4.80 0.02 0.44 1.02 -1.26 -0.89 119.74 125.91 2grq s LYS 59 Ca 0.12 1.47 -0.12 0.00 0.02 0.00 0.00 55.97 57.46 2grq s LYS 59 Cb -0.17 -3.18 0.01 0.00 -0.52 0.00 0.00 37.83 33.98 2grq s LYS 59 CO 0.12 0.46 0.26 -1.17 -0.92 0.00 0.00 175.35 174.10 2grq s LEU 60 N -1.36 1.07 -0.10 3.17 0.20 -0.06 -1.03 118.68 120.57 2grq s LEU 60 Ca 0.43 -0.14 -0.01 0.00 0.69 0.00 0.00 54.13 55.10 2grq s LEU 60 Cb -0.25 1.14 -0.03 0.00 -0.43 0.00 0.00 46.19 46.63 2grq s LEU 60 CO 0.31 -0.51 -0.05 -0.60 -0.29 0.00 0.00 176.35 175.21 2grq s ARG 61 N -1.99 3.14 -0.22 1.98 3.52 0.48 0.04 118.95 125.89 2grq s ARG 61 Ca -0.09 -0.52 -0.03 0.00 -0.13 0.00 0.00 55.73 54.96 2grq s ARG 61 Cb -0.03 -2.74 -0.00 0.00 -1.56 0.00 0.00 34.95 30.62 2grq s ARG 61 CO -0.00 0.51 -0.05 -1.64 -0.81 0.00 0.00 175.30 173.30 2grq s MET 62 N -0.37 3.29 -0.18 5.12 -1.94 -0.04 -1.26 119.30 123.92 2grq s MET 62 Ca 0.06 -0.68 -0.03 0.00 -1.71 0.00 0.00 55.69 53.33 2grq s MET 62 Cb -0.12 -2.99 -0.01 0.00 2.01 0.00 0.00 34.83 33.71 2grq s MET 62 CO 0.02 -0.23 -0.07 -0.51 -0.01 0.00 0.00 175.02 174.23 2grq s LEU 63 N 1.45 2.90 -0.11 -0.03 1.43 0.44 -1.04 118.68 123.72 2grq s LEU 63 Ca 0.05 -0.33 -0.05 0.00 -1.03 0.00 0.00 54.13 52.77 2grq s LEU 63 Cb -0.14 -1.70 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 2grq s LEU 63 CO -0.04 0.07 0.09 -0.36 0.23 0.00 0.00 176.35 176.35 2grq s PHE 64 N 0.92 3.45 0.49 0.29 0.40 -0.39 -0.08 117.98 123.05 2grq s PHE 64 Ca -0.01 0.41 -0.03 0.00 -0.60 0.00 0.00 56.93 56.69 2grq s PHE 64 Cb -0.15 -1.89 -0.02 0.00 0.51 0.00 0.00 43.02 41.47 2grq s PHE 64 CO 0.00 0.64 0.76 0.15 0.70 0.00 0.00 175.22 177.47 2grq s LYS 65 N -0.95 3.27 0.63 0.44 1.02 -1.26 -4.88 119.74 118.00 2grq s LYS 65 Ca 0.14 -0.07 0.37 0.00 0.02 0.00 0.00 55.97 56.43 2grq s LYS 65 Cb -0.12 -2.42 2.10 0.00 -0.52 0.00 0.00 37.83 36.87 2grq s LYS 65 CO 0.03 -0.30 2.31 -0.44 -0.92 0.00 0.00 175.35 176.03 2grq h ASP 66 N 0.22 0.00 -0.34 2.83 3.45 -1.96 -1.69 116.42 118.93 2grq h ASP 66 Ca -0.47 0.00 0.00 0.00 0.43 0.00 0.00 57.03 56.99 2grq h ASP 66 Cb 1.23 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.00 2grq h ASP 66 CO 0.60 0.00 0.00 -0.90 -1.57 0.00 0.00 179.24 177.38 2grq n ASP 67 N -3.49 2.22 -4.76 6.45 5.75 -1.26 -4.56 116.55 116.90 2grq n ASP 67 Ca -0.03 -1.90 -0.40 0.00 -0.01 0.00 0.00 54.79 52.45 2grq n ASP 67 Cb 0.08 -0.22 0.02 0.00 -1.03 0.00 0.00 41.12 39.97 2grq n ASP 67 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 2grq s TYR 68 N -1.55 2.45 -0.70 2.11 5.04 -0.64 -0.72 117.35 123.33 2grq s TYR 68 Ca 0.31 1.28 0.05 0.00 -2.44 0.00 0.00 57.07 56.28 2grq s TYR 68 Cb 0.17 -3.89 0.31 0.00 0.35 0.00 0.00 41.96 38.89 2grq s TYR 68 CO 0.23 -2.90 0.98 -0.35 -1.34 0.00 0.00 175.55 172.17 2grq n PRO 69 N -0.30 2.44 0.19 4.97 -0.04 -1.26 -3.34 135.00 137.65 2grq n PRO 69 Ca 0.06 -1.19 0.03 0.00 -0.04 0.00 0.00 63.50 62.37 2grq n PRO 69 Cb 0.42 -1.78 0.39 0.00 -0.04 0.00 0.00 33.50 32.49 2grq n PRO 69 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 2grq h SER 70 N 1.46 0.00 -3.23 3.54 0.02 -1.34 -3.43 113.55 110.58 2grq h SER 70 Ca 0.01 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 60.31 2grq h SER 70 Cb 1.08 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 63.45 2grq h SER 70 CO 0.20 0.35 -0.78 -0.94 -1.14 0.00 0.00 176.83 174.51 2grq s SER 71 N -6.87 3.80 0.60 3.07 1.04 -1.24 -4.96 113.70 109.13 2grq s SER 71 Ca -0.03 -0.71 -0.10 0.00 0.48 0.00 0.00 55.95 55.59 2grq s SER 71 Cb 0.14 -0.47 -0.04 0.00 0.10 0.00 0.00 66.02 65.76 2grq s SER 71 CO 0.71 0.13 0.99 -2.16 0.98 0.00 0.00 173.24 173.89 2grq s PRO 72 N -2.63 3.57 0.66 4.02 0.04 -1.26 -4.57 135.00 134.82 2grq s PRO 72 Ca 0.22 0.64 -0.11 0.00 0.04 0.00 0.00 61.00 61.79 2grq s PRO 72 Cb -0.09 -2.13 -0.02 0.00 0.04 0.00 0.00 34.50 32.30 2grq s PRO 72 CO 0.12 -0.52 1.04 -1.25 0.04 0.00 0.00 177.00 176.43 2grq s PRO 73 N -5.11 3.27 -0.22 0.56 0.04 -1.26 -4.73 135.00 127.55 2grq s PRO 73 Ca 0.54 0.85 -0.13 0.00 0.04 0.00 0.00 61.00 62.30 2grq s PRO 73 Cb -0.11 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 2grq s PRO 73 CO 0.52 -0.83 0.29 0.21 0.04 0.00 0.00 177.00 177.23 2grq s LYS 74 N -5.11 4.12 -0.20 4.56 2.20 0.88 -4.88 119.74 121.31 2grq s LYS 74 Ca 0.57 -0.02 -0.04 0.00 -0.36 0.00 0.00 55.97 56.12 2grq s LYS 74 Cb -0.13 -3.55 -0.01 0.00 -1.51 0.00 0.00 37.83 32.63 2grq s LYS 74 CO 0.54 -0.01 -0.04 0.00 -0.36 0.00 0.00 175.35 175.48 2grq s LYS 76 N 1.11 1.18 0.21 0.00 2.20 -0.39 -0.57 119.74 123.49 2grq s LYS 76 Ca 0.02 -0.18 -0.30 0.00 -0.36 0.00 0.00 55.97 55.15 2grq s LYS 76 Cb -0.15 -1.20 -0.09 0.00 -1.51 0.00 0.00 37.83 34.89 2grq s LYS 76 CO -0.00 -0.15 1.26 -0.06 -0.36 0.00 0.00 175.35 176.04 2grq s PHE 77 N 1.27 3.32 -0.23 4.03 0.08 0.40 -0.38 117.98 126.46 2grq s PHE 77 Ca -0.05 1.33 -0.01 0.00 0.12 0.00 0.00 56.93 58.33 2grq s PHE 77 Cb -0.14 -3.53 0.07 0.00 -0.57 0.00 0.00 43.02 38.85 2grq s PHE 77 CO -0.02 -1.56 0.01 -1.21 -0.10 0.00 0.00 175.22 172.34 2grq s GLU 78 N -0.36 1.01 0.86 0.44 2.02 -0.20 -3.07 118.70 119.41 2grq s GLU 78 Ca 0.54 -0.74 -0.12 0.00 0.02 0.00 0.00 54.97 54.67 2grq s GLU 78 Cb -0.35 -2.28 0.11 0.00 0.10 0.00 0.00 34.13 31.71 2grq s GLU 78 CO 0.39 -0.68 1.17 -1.25 0.02 0.00 0.00 175.26 174.90 2grq s PRO 79 N 1.65 1.57 0.47 0.39 0.04 -1.26 -4.40 135.00 133.45 2grq s PRO 79 Ca -0.01 0.15 -0.23 0.00 0.04 0.00 0.00 61.00 60.95 2grq s PRO 79 Cb -0.18 -1.90 -0.08 0.00 0.04 0.00 0.00 34.50 32.38 2grq s PRO 79 CO -0.10 -1.88 1.17 -2.30 0.04 0.00 0.00 177.00 173.93 2grq n PRO 80 N -3.52 1.58 -4.18 0.56 -0.02 -1.17 -4.96 135.00 123.29 2grq n PRO 80 Ca 0.08 0.57 -0.26 0.00 -2.02 0.00 0.00 63.50 61.87 2grq n PRO 80 Cb 0.60 -2.29 -0.07 0.00 -0.02 0.00 0.00 33.50 31.73 2grq n PRO 80 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2grq s LEU 81 N -1.69 3.45 -0.54 2.45 1.43 -1.26 -5.02 118.68 117.50 2grq s LEU 81 Ca 0.65 -0.34 -0.28 0.00 -1.03 0.00 0.00 54.13 53.12 2grq s LEU 81 Cb -0.49 -2.07 0.03 0.00 0.03 0.00 0.00 46.19 43.68 2grq s LEU 81 CO 0.55 0.07 1.17 0.12 0.23 0.00 0.00 176.35 178.49 2grq s PHE 82 N -1.80 2.69 -0.28 0.29 5.36 -1.26 -4.82 117.98 118.16 2grq s PHE 82 Ca 0.29 0.54 -0.23 0.00 -0.96 0.00 0.00 56.93 56.56 2grq s PHE 82 Cb -0.09 -4.48 0.13 0.00 -0.34 0.00 0.00 43.02 38.24 2grq s PHE 82 CO 0.20 -1.45 1.05 -1.58 -1.46 0.00 0.00 175.22 171.97 2grq s HIS 83 N 4.74 -0.47 0.51 10.12 2.46 -1.26 -4.97 115.29 126.42 2grq s HIS 83 Ca 0.45 1.09 0.26 0.00 0.47 0.00 0.00 55.06 57.33 2grq s HIS 83 Cb -0.07 0.37 1.35 0.00 -0.13 0.00 0.00 32.58 34.09 2grq s HIS 83 CO 0.28 -0.23 1.92 -1.35 -2.47 0.00 0.00 174.74 172.90 2grq h PRO 84 N 4.49 0.10 -0.49 2.88 0.11 -1.90 -2.23 132.00 134.97 2grq h PRO 84 Ca -0.28 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.74 2grq h PRO 84 Cb 1.18 -0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.22 2grq h PRO 84 CO 0.13 0.07 0.08 0.09 -0.21 0.00 0.00 178.00 178.16 2grq n ASN 85 N -4.37 4.48 -4.15 -2.05 4.13 -1.26 0.12 115.26 112.16 2grq n ASN 85 Ca 0.15 -3.14 -0.33 0.00 1.68 0.00 0.00 54.58 52.94 2grq n ASN 85 Cb 0.75 -0.65 -0.16 0.00 -1.54 0.00 0.00 39.78 38.19 2grq n ASN 85 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 2grq s VAL 86 N -2.92 2.24 0.85 2.41 1.01 -0.84 -1.90 120.40 121.25 2grq s VAL 86 Ca 0.49 -0.88 -0.11 0.00 0.00 0.00 0.00 61.98 61.48 2grq s VAL 86 Cb 0.40 -1.95 0.11 0.00 0.00 0.00 0.00 36.38 34.94 2grq s VAL 86 CO 0.11 0.52 1.15 -0.31 0.00 0.00 0.00 175.10 176.58 2grq s TYR 87 N 1.29 1.86 0.56 5.22 2.02 0.06 -4.18 117.35 124.18 2grq s TYR 87 Ca 0.04 1.72 0.32 0.00 -0.37 0.00 0.00 57.07 58.78 2grq s TYR 87 Cb -0.13 -3.32 1.84 0.00 -0.40 0.00 0.00 41.96 39.95 2grq s TYR 87 CO -0.11 -2.61 2.24 -1.35 -1.57 0.00 0.00 175.55 172.15 2grq h PRO 88 N -1.43 0.00 0.00 -1.71 0.11 -1.90 0.14 132.00 127.22 2grq h PRO 88 Ca -0.44 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 2grq h PRO 88 Cb 1.27 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.38 2grq h PRO 88 CO 0.45 0.02 -0.04 0.66 -0.21 0.00 0.00 178.00 178.88 2grq h SER 89 N 0.00 0.00 0.00 -2.05 4.64 -1.96 -3.44 113.55 110.73 2grq h SER 89 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2grq h SER 89 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 2grq h SER 89 CO 0.00 0.04 0.00 0.61 -0.87 0.00 0.00 176.83 176.61 2grq n GLY 90 N 0.44 1.96 3.71 -0.77 0.00 0.50 -4.72 105.19 106.32 2grq n GLY 90 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 2grq n GLY 90 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2grq n THR 91 N -0.90 0.09 -3.58 2.61 -1.04 -1.26 -0.45 114.28 109.76 2grq n THR 91 Ca 0.00 -0.02 -0.38 0.00 -2.04 0.00 0.00 64.05 61.61 2grq n THR 91 Cb 0.00 -1.93 -0.06 0.00 -1.82 0.00 0.00 70.33 66.52 2grq n THR 91 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2grq s VAL 92 N 1.03 5.12 -0.17 12.58 1.01 0.27 -0.76 120.40 139.49 2grq s VAL 92 Ca 0.75 0.70 -0.04 0.00 0.00 0.00 0.00 61.98 63.38 2grq s VAL 92 Cb -0.53 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 2grq s VAL 92 CO 0.34 0.57 -0.02 0.00 0.00 0.00 0.00 175.10 176.00 2grq s LEU 94 N 0.48 0.20 0.28 0.00 2.96 -1.26 -4.96 118.68 116.37 2grq s LEU 94 Ca -0.02 0.82 0.00 0.00 -0.22 0.00 0.00 54.13 54.71 2grq s LEU 94 Cb -0.14 1.66 0.52 0.00 0.50 0.00 0.00 46.19 48.73 2grq s LEU 94 CO 0.02 -0.24 1.85 0.28 -1.32 0.00 0.00 176.35 176.95 2grq h SER 95 N 4.99 0.96 0.40 3.68 0.02 -1.98 0.57 113.55 122.18 2grq h SER 95 Ca -0.28 0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 2grq h SER 95 Cb 1.17 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.55 2grq h SER 95 CO 0.25 0.55 0.00 2.30 -1.14 0.00 0.00 176.83 178.78 2grq n ILE 96 N -4.58 0.43 -0.63 3.27 -5.35 -1.26 -1.22 119.36 110.03 2grq n ILE 96 Ca 0.18 0.11 0.08 0.00 -0.27 0.00 0.00 62.75 62.85 2grq n ILE 96 Cb 0.30 -0.78 0.30 0.00 -1.74 0.00 0.00 39.64 37.72 2grq n ILE 96 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2grq n LEU 97 N -1.31 4.25 -4.07 7.28 4.77 0.19 -3.70 117.00 124.41 2grq n LEU 97 Ca 0.09 -2.50 -0.31 0.00 -0.03 0.00 0.00 56.01 53.25 2grq n LEU 97 Cb 0.16 -0.51 -0.16 0.00 -2.33 0.00 0.00 43.42 40.58 2grq n LEU 97 CO 0.15 0.76 -0.51 -1.61 -1.33 0.00 0.00 177.39 174.86 2grq s GLU 98 N -1.93 2.59 0.36 3.23 2.02 -1.03 -4.79 118.70 119.15 2grq s GLU 98 Ca 0.44 -0.67 0.05 0.00 0.02 0.00 0.00 54.97 54.80 2grq s GLU 98 Cb 0.29 -2.29 0.72 0.00 0.10 0.00 0.00 34.13 32.96 2grq s GLU 98 CO 0.19 -0.21 1.98 1.49 0.02 0.00 0.00 175.26 178.73 2grq h GLU 99 N 7.96 0.74 0.00 1.61 4.81 -1.89 -0.44 114.58 127.37 2grq h GLU 99 Ca -0.41 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 2grq h GLU 99 Cb 1.14 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.35 2grq h GLU 99 CO 0.57 0.49 0.00 -0.25 -0.73 0.00 0.00 179.01 179.09 2grq n ASP 100 N -4.46 0.00 0.00 1.04 10.43 -1.26 -4.61 116.55 117.69 2grq n ASP 100 Ca 0.09 0.46 0.00 0.00 2.57 0.00 0.00 54.79 57.91 2grq n ASP 100 Cb 0.16 -0.49 0.00 0.00 1.84 0.00 0.00 41.12 42.63 2grq n ASP 100 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 2grq n LYS 101 N -1.49 0.00 -0.16 -1.24 5.02 -0.23 -5.00 118.16 115.06 2grq n LYS 101 Ca 0.06 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.46 2grq n LYS 101 Cb 0.28 0.00 0.19 0.00 -0.02 0.00 0.00 35.03 35.48 2grq n LYS 101 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2grq n ASP 102 N 0.00 3.24 -4.76 4.39 8.00 -0.35 -4.98 116.55 122.09 2grq n ASP 102 Ca 0.00 -1.94 -0.41 0.00 0.71 0.00 0.00 54.79 53.15 2grq n ASP 102 Cb 0.00 -0.22 -0.02 0.00 -0.02 0.00 0.00 41.12 40.86 2grq n ASP 102 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 2grq s TRP 103 N -1.38 3.09 0.20 1.24 -0.11 -0.85 -4.60 118.94 116.52 2grq s TRP 103 Ca 0.34 1.33 -0.15 0.00 1.22 0.00 0.00 56.10 58.83 2grq s TRP 103 Cb 0.20 -3.68 0.02 0.00 -1.50 0.00 0.00 33.47 28.50 2grq s TRP 103 CO 0.28 -1.97 0.48 1.03 -4.62 0.00 0.00 176.95 172.15 2grq s ARG 104 N -1.28 1.37 0.53 5.86 0.52 -1.26 -4.87 118.95 119.82 2grq s ARG 104 Ca 0.52 -0.97 0.28 0.00 -0.52 0.00 0.00 55.73 55.04 2grq s ARG 104 Cb -0.39 0.49 1.50 0.00 0.52 0.00 0.00 34.95 37.06 2grq s ARG 104 CO 0.49 -0.57 2.09 -1.35 0.02 0.00 0.00 175.30 175.98 2grq h PRO 105 N 2.27 0.00 0.00 3.54 0.11 -1.95 -2.38 132.00 133.58 2grq h PRO 105 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2grq h PRO 105 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2grq h PRO 105 CO 0.39 0.10 0.00 0.00 -0.21 0.00 0.00 178.00 178.28 2grq n ALA 106 N -2.28 1.94 -2.69 -0.75 0.00 -1.26 -4.74 120.51 110.74 2grq n ALA 106 Ca -0.02 -0.08 -0.40 0.00 0.00 0.00 0.00 53.44 52.93 2grq n ALA 106 Cb 0.22 -1.27 -0.05 0.00 0.00 0.00 0.00 19.45 18.35 2grq n ALA 106 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2grq s ILE 107 N -2.48 4.98 0.41 0.00 1.01 -0.90 -5.06 121.20 119.15 2grq s ILE 107 Ca 0.17 1.46 0.08 0.00 0.00 0.00 0.00 60.65 62.35 2grq s ILE 107 Cb 0.11 -4.05 -0.01 0.00 0.01 0.00 0.00 42.46 38.51 2grq s ILE 107 CO 0.24 0.14 0.43 0.42 0.00 0.00 0.00 174.94 176.17 2grq s THR 108 N 1.55 2.86 0.23 2.92 -4.23 -1.26 -5.00 115.64 112.70 2grq s THR 108 Ca 0.36 -1.23 -0.05 0.00 -1.18 0.00 0.00 61.69 59.58 2grq s THR 108 Cb -0.17 -3.02 0.12 0.00 1.34 0.00 0.00 72.50 70.77 2grq s THR 108 CO 0.14 -0.02 1.74 0.40 -0.54 0.00 0.00 174.62 176.35 2grq h ILE 109 N 0.92 1.25 -0.43 2.99 2.04 -1.97 -1.51 117.51 120.81 2grq h ILE 109 Ca -0.41 -0.97 -0.00 0.00 1.00 0.00 0.00 64.86 64.48 2grq h ILE 109 Cb 1.27 0.66 -0.02 0.00 -0.74 0.00 0.00 36.82 37.99 2grq h ILE 109 CO 0.54 0.36 0.26 0.50 0.00 0.00 0.00 178.15 179.81 2grq h LYS 110 N 0.94 0.57 -0.85 2.37 3.64 -1.97 -0.02 116.57 121.25 2grq h LYS 110 Ca 0.19 -0.05 -0.02 0.00 -1.27 0.00 0.00 60.65 59.50 2grq h LYS 110 Cb 0.39 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.05 2grq h LYS 110 CO 0.01 0.41 0.45 0.37 -2.27 0.00 0.00 179.45 178.42 2grq h GLN 111 N 0.57 1.20 -0.00 1.90 4.15 -1.86 -0.54 115.11 120.52 2grq h GLN 111 Ca 0.15 -0.15 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 2grq h GLN 111 Cb -0.02 -0.23 -0.00 0.00 0.21 0.00 0.00 27.48 27.44 2grq h GLN 111 CO -0.03 0.89 0.00 0.82 -1.93 0.00 0.00 178.83 178.58 2grq h ILE 112 N 1.19 1.13 -0.46 2.39 2.04 -0.81 0.15 117.51 123.16 2grq h ILE 112 Ca 0.30 -0.38 -0.07 0.00 1.00 0.00 0.00 64.86 65.71 2grq h ILE 112 Cb 0.06 1.39 -0.02 0.00 -0.74 0.00 0.00 36.82 37.50 2grq h ILE 112 CO -0.04 0.10 0.01 -0.07 0.00 0.00 0.00 178.15 178.15 2grq h LEU 113 N -0.16 0.71 -0.69 1.44 3.38 -0.82 -0.06 115.31 119.12 2grq h LEU 113 Ca 0.00 -0.16 -0.14 0.00 0.09 0.00 0.00 57.88 57.68 2grq h LEU 113 Cb 0.16 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2grq h LEU 113 CO -0.00 0.77 -0.47 -0.07 0.09 0.00 0.00 178.44 178.76 2grq h LEU 114 N 0.70 0.48 -0.61 1.67 3.38 -0.99 -0.98 115.31 118.96 2grq h LEU 114 Ca 0.14 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 2grq h LEU 114 Cb 0.41 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2grq h LEU 114 CO 0.02 0.88 0.06 1.23 0.09 0.00 0.00 178.44 180.71 2grq h GLY 115 N 1.16 1.12 1.25 0.83 0.00 -0.02 -0.91 103.07 106.51 2grq h GLY 115 Ca 0.02 -0.78 -0.16 0.00 0.00 0.00 0.00 47.33 46.41 2grq h GLY 115 CO 0.08 0.72 -0.46 -2.22 0.00 0.00 0.00 176.54 174.67 2grq h ILE 116 N 0.94 1.28 -0.63 2.60 2.04 -0.89 -1.85 117.51 121.00 2grq h ILE 116 Ca 0.18 -1.64 0.01 0.00 1.00 0.00 0.00 64.86 64.40 2grq h ILE 116 Cb 0.48 1.53 -0.03 0.00 -0.74 0.00 0.00 36.82 38.07 2grq h ILE 116 CO 0.02 0.54 0.42 -0.61 0.00 0.00 0.00 178.15 178.51 2grq h GLN 117 N 0.64 0.83 -0.79 2.37 4.15 -0.89 -2.10 115.11 119.32 2grq h GLN 117 Ca 0.04 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.36 2grq h GLN 117 Cb 1.04 -0.19 -0.03 0.00 0.21 0.00 0.00 27.48 28.50 2grq h GLN 117 CO 0.10 0.55 0.31 1.49 -1.93 0.00 0.00 178.83 179.35 2grq h GLU 118 N 0.86 1.18 -0.15 1.69 4.81 -1.04 -2.57 114.58 119.36 2grq h GLU 118 Ca 0.23 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 2grq h GLU 118 Cb -0.10 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.08 2grq h GLU 118 CO -0.05 0.96 0.04 1.25 -0.73 0.00 0.00 179.01 180.48 2grq h LEU 119 N 1.15 0.18 -0.30 1.64 5.85 -0.70 -2.47 115.31 120.67 2grq h LEU 119 Ca 0.26 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 59.03 2grq h LEU 119 Cb 0.22 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.12 2grq h LEU 119 CO -0.02 0.19 -0.41 -0.07 -0.34 0.00 0.00 178.44 177.79 2grq h LEU 120 N 0.21 -1.33 -0.73 2.25 3.38 -0.97 -2.30 115.31 115.82 2grq h LEU 120 Ca 0.05 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2grq h LEU 120 Cb 0.08 0.57 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2grq h LEU 120 CO -0.00 -0.38 -0.29 -3.20 0.09 0.00 0.00 178.44 174.66 2grq n ASN 121 N -5.42 1.42 -3.22 -0.43 5.15 -1.18 -4.40 115.26 107.16 2grq n ASN 121 Ca -0.02 -1.16 -0.25 0.00 -0.60 0.00 0.00 54.58 52.55 2grq n ASN 121 Cb 0.35 0.21 -0.06 0.00 -0.53 0.00 0.00 39.78 39.75 2grq n ASN 121 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2grq n GLU 122 N -0.33 1.95 -1.63 1.20 4.71 -0.90 -5.11 120.64 120.52 2grq n GLU 122 Ca 0.12 -4.12 -0.34 0.00 -0.01 0.00 0.00 57.16 52.81 2grq n GLU 122 Cb 0.39 -1.88 0.07 0.00 -1.01 0.00 0.00 31.44 29.00 2grq n GLU 122 CO 0.00 0.00 0.00 -1.25 0.09 0.00 0.00 177.13 175.97 2grq s PRO 123 N -2.32 2.49 -0.85 3.49 0.04 -0.98 -4.52 135.00 132.34 2grq s PRO 123 Ca 0.40 1.64 -0.17 0.00 0.04 0.00 0.00 61.00 62.92 2grq s PRO 123 Cb 0.21 -1.89 0.17 0.00 0.04 0.00 0.00 34.50 33.03 2grq s PRO 123 CO -0.07 -1.54 0.92 1.21 0.04 0.00 0.00 177.00 177.56 2grq s ASN 124 N -2.15 6.66 0.58 6.66 3.84 -1.26 -4.88 114.94 124.39 2grq s ASN 124 Ca 0.72 -2.30 0.34 0.00 0.21 0.00 0.00 52.86 51.83 2grq s ASN 124 Cb -0.26 -2.30 1.78 0.00 -0.55 0.00 0.00 41.25 39.91 2grq s ASN 124 CO 0.42 -0.84 2.17 0.40 -2.79 0.00 0.00 177.10 176.46 2grq h ILE 125 N 5.34 0.29 0.00 -5.21 1.08 -1.97 -2.36 117.51 114.68 2grq h ILE 125 Ca 0.10 -0.31 0.00 0.00 -0.39 0.00 0.00 64.86 64.26 2grq h ILE 125 Cb 1.04 1.23 0.00 0.00 -3.07 0.00 0.00 36.82 36.02 2grq h ILE 125 CO 0.94 0.05 0.00 1.56 -0.69 0.00 0.00 178.15 180.01 2grq h GLN 126 N 0.00 0.00 -2.08 2.37 7.50 -2.01 -3.36 115.11 117.53 2grq h GLN 126 Ca -0.00 0.00 -0.56 0.00 0.50 0.00 0.00 58.65 58.59 2grq h GLN 126 Cb 0.23 0.00 -0.40 0.00 0.05 0.00 0.00 27.48 27.36 2grq h GLN 126 CO 0.01 0.00 -0.94 0.00 -1.50 0.00 0.00 178.83 176.40 2grq n ALA 127 N -2.09 3.02 -1.77 3.87 0.00 -0.89 -5.11 120.51 117.54 2grq n ALA 127 Ca 0.02 -3.90 -0.36 0.00 0.00 0.00 0.00 53.44 49.20 2grq n ALA 127 Cb 0.40 -0.85 0.01 0.00 0.00 0.00 0.00 19.45 19.01 2grq n ALA 127 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2grq s PRO 128 N -1.97 3.36 -0.00 0.00 0.04 -1.25 -4.78 135.00 130.40 2grq s PRO 128 Ca 0.39 1.76 0.16 0.00 0.04 0.00 0.00 61.00 63.35 2grq s PRO 128 Cb 0.21 -2.12 -0.18 0.00 0.04 0.00 0.00 34.50 32.45 2grq s PRO 128 CO -0.08 -0.88 0.66 0.00 0.04 0.00 0.00 177.00 176.74 2grq n ALA 129 N -1.11 3.99 -3.02 8.56 0.00 0.31 -4.96 120.51 124.29 2grq n ALA 129 Ca 0.11 -0.45 -0.11 0.00 0.00 0.00 0.00 53.44 52.99 2grq n ALA 129 Cb 0.49 -0.58 -0.11 0.00 0.00 0.00 0.00 19.45 19.25 2grq n ALA 129 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2grq s GLN 130 N -2.53 0.30 0.11 0.00 -2.07 -1.15 -4.30 119.66 110.02 2grq s GLN 130 Ca 0.05 -0.26 -0.09 0.00 -1.82 0.00 0.00 55.36 53.25 2grq s GLN 130 Cb 0.12 0.12 -0.13 0.00 -1.09 0.00 0.00 33.01 32.03 2grq s GLN 130 CO 0.65 -0.06 1.28 0.00 -1.32 0.00 0.00 175.29 175.84 2grq h ALA 131 N 5.01 0.30 0.27 2.60 0.00 -1.93 -3.27 119.26 122.24 2grq h ALA 131 Ca -0.29 -0.68 -0.01 0.00 0.00 0.00 0.00 54.91 53.94 2grq h ALA 131 Cb 1.20 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2grq h ALA 131 CO 0.42 0.74 -0.28 1.49 0.00 0.00 0.00 179.25 181.62 2grq h GLU 132 N 0.34 -0.53 -0.72 0.00 4.57 -1.97 -0.55 114.58 115.72 2grq h GLU 132 Ca -0.09 0.04 -0.02 0.00 -1.18 0.00 0.00 59.36 58.11 2grq h GLU 132 Cb 1.56 0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 30.24 2grq h GLU 132 CO 0.17 -0.36 0.36 0.00 -1.18 0.00 0.00 179.01 178.01 2grq h ALA 133 N -1.27 1.27 0.02 2.92 0.00 -1.87 -2.35 119.26 117.99 2grq h ALA 133 Ca -0.03 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2grq h ALA 133 Cb 0.48 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2grq h ALA 133 CO -0.04 0.57 -0.01 -0.92 0.00 0.00 0.00 179.25 178.85 2grq h TYR 134 N 1.02 -0.03 -0.20 0.00 3.20 -1.60 -0.70 116.97 118.67 2grq h TYR 134 Ca 0.25 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.16 2grq h TYR 134 Cb 0.08 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.32 2grq h TYR 134 CO 0.01 0.05 -0.07 1.15 -1.64 0.00 0.00 178.16 177.67 2grq h THR 135 N -0.10 0.76 -0.43 1.81 2.02 -0.85 -1.31 112.91 114.80 2grq h THR 135 Ca -0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 2grq h THR 135 Cb 0.09 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 2grq h THR 135 CO 0.00 0.00 0.08 0.40 0.37 0.00 0.00 175.52 176.37 2grq h ILE 136 N -0.03 1.24 -0.70 3.11 2.04 -1.38 -0.71 117.51 121.09 2grq h ILE 136 Ca 0.10 -0.88 0.08 0.00 1.00 0.00 0.00 64.86 65.16 2grq h ILE 136 Cb 0.18 0.97 -0.06 0.00 -0.74 0.00 0.00 36.82 37.17 2grq h ILE 136 CO -0.22 0.31 0.37 0.22 0.00 0.00 0.00 178.15 178.82 2grq h TYR 137 N 0.58 0.67 0.00 1.37 3.20 -0.83 0.58 116.97 122.53 2grq h TYR 137 Ca 0.13 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.87 2grq h TYR 137 Cb 0.37 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 2grq h TYR 137 CO 0.03 0.28 -0.77 0.00 -1.64 0.00 0.00 178.16 176.06 2grq n GLN 139 N -3.39 0.65 -3.16 0.00 6.02 -0.29 -4.81 117.38 112.40 2grq n GLN 139 Ca 0.00 0.16 -0.07 0.00 -0.01 0.00 0.00 57.00 57.08 2grq n GLN 139 Cb 0.81 -1.70 -0.03 0.00 1.02 0.00 0.00 30.24 30.34 2grq n GLN 139 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2grq s ASN 140 N -5.75 -0.54 0.25 1.08 3.84 0.16 -5.02 114.94 108.96 2grq s ASN 140 Ca -0.06 -1.41 -0.03 0.00 0.21 0.00 0.00 52.86 51.56 2grq s ASN 140 Cb 0.08 1.38 0.40 0.00 -0.55 0.00 0.00 41.25 42.56 2grq s ASN 140 CO 0.83 -0.17 1.84 -0.09 -2.79 0.00 0.00 177.10 176.72 2grq h ARG 141 N 6.43 0.90 -0.64 0.43 9.65 -1.70 0.25 114.38 129.71 2grq h ARG 141 Ca 0.07 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 2grq h ARG 141 Cb 1.11 -0.20 -0.03 0.00 -1.39 0.00 0.00 29.97 29.45 2grq h ARG 141 CO 0.13 0.59 0.41 0.28 2.80 0.00 0.00 179.97 184.18 2grq h VAL 142 N 0.93 1.17 -0.57 0.20 2.07 -1.92 0.17 116.25 118.29 2grq h VAL 142 Ca 0.41 -0.33 -0.08 0.00 0.82 0.00 0.00 66.70 67.52 2grq h VAL 142 Cb 0.30 0.25 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 2grq h VAL 142 CO -0.22 0.17 0.04 -0.08 0.02 0.00 0.00 177.57 177.49 2grq h GLU 143 N 0.86 0.98 -0.01 1.57 4.57 -1.67 -1.04 114.58 119.84 2grq h GLU 143 Ca 0.23 -0.30 0.02 0.00 -1.18 0.00 0.00 59.36 58.13 2grq h GLU 143 Cb -0.08 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.39 2grq h GLU 143 CO -0.05 0.97 -0.09 -0.92 -1.18 0.00 0.00 179.01 177.74 2grq h TYR 144 N 0.87 -0.23 -0.48 0.92 3.20 -0.45 -0.60 116.97 120.20 2grq h TYR 144 Ca 0.17 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 2grq h TYR 144 Cb 0.50 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 2grq h TYR 144 CO 0.04 -0.14 0.26 0.93 -1.64 0.00 0.00 178.16 177.60 2grq h GLU 145 N -0.16 0.66 -0.58 1.82 4.39 -0.80 -0.74 114.58 119.17 2grq h GLU 145 Ca 0.04 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 2grq h GLU 145 Cb 0.20 -0.14 -0.03 0.00 -0.10 0.00 0.00 28.75 28.69 2grq h GLU 145 CO -0.10 0.50 0.27 -0.22 -1.16 0.00 0.00 179.01 178.30 2grq h LYS 146 N 0.67 0.84 -0.37 2.33 3.64 -0.43 -0.25 116.57 123.01 2grq h LYS 146 Ca 0.17 -0.13 -0.10 0.00 -1.27 0.00 0.00 60.65 59.32 2grq h LYS 146 Cb 0.03 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 2grq h LYS 146 CO -0.03 0.69 -0.20 0.00 -2.27 0.00 0.00 179.45 177.64 2grq h ARG 147 N 0.79 0.70 -0.37 1.90 3.08 -0.39 -2.17 114.38 117.93 2grq h ARG 147 Ca 0.20 -0.26 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 2grq h ARG 147 Cb 0.13 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2grq h ARG 147 CO -0.02 0.85 0.03 0.28 -1.07 0.00 0.00 179.97 180.04 2grq h VAL 148 N 0.62 1.25 -0.69 2.04 2.07 -0.74 -1.78 116.25 119.03 2grq h VAL 148 Ca 0.09 -0.92 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 2grq h VAL 148 Cb 0.68 1.12 -0.03 0.00 -1.52 0.00 0.00 31.29 31.54 2grq h VAL 148 CO 0.05 0.31 0.41 0.03 0.02 0.00 0.00 177.57 178.39 2grq h ARG 149 N 0.47 0.95 -0.77 1.57 3.08 -0.88 -0.61 114.38 118.18 2grq h ARG 149 Ca 0.11 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 2grq h ARG 149 Cb 0.41 -0.19 -0.04 0.00 0.08 0.00 0.00 29.97 30.23 2grq h ARG 149 CO 0.01 0.68 0.38 0.00 -1.07 0.00 0.00 179.97 179.98 2grq h ALA 150 N 1.21 0.99 -0.34 0.04 0.00 -1.27 -1.36 119.26 118.52 2grq h ALA 150 Ca 0.25 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.91 2grq h ALA 150 Cb -0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2grq h ALA 150 CO -0.04 0.54 -0.20 0.37 0.00 0.00 0.00 179.25 179.92 2grq h GLN 151 N 1.08 0.65 -0.39 0.00 4.15 -0.88 -0.66 115.11 119.06 2grq h GLN 151 Ca 0.27 -0.24 -0.11 0.00 0.77 0.00 0.00 58.65 59.34 2grq h GLN 151 Cb 0.10 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 2grq h GLN 151 CO -0.04 0.81 -0.20 0.00 -1.93 0.00 0.00 178.83 177.47 2grq h ALA 152 N 1.21 0.93 -0.21 3.38 0.00 -0.65 -1.97 119.26 121.94 2grq h ALA 152 Ca 0.09 -0.36 -0.16 0.00 0.00 0.00 0.00 54.91 54.48 2grq h ALA 152 Cb 0.66 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2grq h ALA 152 CO 0.05 0.62 -0.52 -0.22 0.00 0.00 0.00 179.25 179.17 2grq h LYS 153 N 0.66 0.60 -0.71 0.00 3.64 -1.02 -2.74 116.57 116.99 2grq h LYS 153 Ca 0.10 -0.36 -0.02 0.00 -1.27 0.00 0.00 60.65 59.09 2grq h LYS 153 Cb 0.69 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.51 2grq h LYS 153 CO 0.05 0.97 0.35 -0.22 -2.27 0.00 0.00 179.45 178.33 2grq h LYS 154 N 0.47 1.01 -0.85 1.90 3.64 -0.75 -2.60 116.57 119.39 2grq h LYS 154 Ca 0.02 -0.13 -0.40 0.00 -1.27 0.00 0.00 60.65 58.87 2grq h LYS 154 Cb 1.06 -0.19 -0.24 0.00 -0.41 0.00 0.00 32.23 32.46 2grq h LYS 154 CO 0.10 0.77 0.46 1.19 -2.27 0.00 0.00 179.45 179.71 2grq n PHE 155 N -4.34 2.66 -2.58 1.91 3.72 -0.77 -4.96 117.46 113.10 2grq n PHE 155 Ca 0.07 -1.64 -0.42 0.00 -0.05 0.00 0.00 57.45 55.40 2grq n PHE 155 Cb 0.13 -0.82 -0.03 0.00 -0.94 0.00 0.00 39.48 37.82 2grq n PHE 155 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2grq s ALA 156 N -3.21 3.29 -2.00 4.37 0.00 -0.98 -0.84 121.76 122.39 2grq s ALA 156 Ca 0.55 0.65 0.12 0.00 0.00 0.00 0.00 51.96 53.28 2grq s ALA 156 Cb 0.46 -3.40 0.74 0.00 0.00 0.00 0.00 23.12 20.92 2grq s ALA 156 CO 0.10 -0.38 1.17 -0.35 0.00 0.00 0.00 175.76 176.30