#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2grh h VAL 3 N 0.00 1.12 -0.38 2.46 3.04 -1.88 -1.37 116.25 119.22 2grh h VAL 3 Ca 0.00 -0.42 -0.12 0.00 -1.01 0.00 0.00 66.70 65.15 2grh h VAL 3 Cb 0.00 0.94 -0.01 0.00 -2.01 0.00 0.00 31.29 30.22 2grh h VAL 3 CO 0.00 0.15 -0.23 1.88 -1.01 0.00 0.00 177.57 178.36 2grh h TYR 4 N 0.28 0.97 -0.26 3.17 0.05 -1.97 -0.62 116.97 118.59 2grh h TYR 4 Ca 0.07 -0.25 -0.12 0.00 0.05 0.00 0.00 58.73 58.48 2grh h TYR 4 Cb 0.16 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 37.67 2grh h TYR 4 CO 0.00 1.02 -0.32 -0.44 -1.05 0.00 0.00 178.16 177.37 2grh h ASP 5 N 0.63 0.57 -0.46 3.88 3.32 -1.89 -2.08 116.42 120.39 2grh h ASP 5 Ca 0.08 -0.22 -0.06 0.00 0.02 0.00 0.00 57.03 56.85 2grh h ASP 5 Cb 0.79 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 2grh h ASP 5 CO 0.06 0.86 0.05 0.00 -1.72 0.00 0.00 179.24 178.49 2grh h ALA 6 N 1.18 0.61 -0.01 3.45 0.00 -1.12 -2.40 119.26 120.97 2grh h ALA 6 Ca 0.05 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2grh h ALA 6 Cb 0.79 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.41 2grh h ALA 6 CO 0.06 0.36 -0.13 0.00 0.00 0.00 0.00 179.25 179.54 2grh h ALA 7 N 0.94 1.76 0.00 0.00 0.00 -0.93 -1.20 119.26 119.84 2grh h ALA 7 Ca 0.14 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2grh h ALA 7 Cb 0.42 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.19 2grh h ALA 7 CO 0.01 0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.44 2grh h ALA 8 N 1.85 1.00 -0.00 0.00 0.00 -0.85 -2.38 119.26 118.89 2grh h ALA 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2grh h ALA 8 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 2grh h ALA 8 CO 0.02 0.00 -0.05 1.04 0.00 0.00 0.00 179.25 180.26 2grh n GLN 9 N -2.37 0.37 -2.82 0.00 6.02 -0.45 -4.47 117.38 113.66 2grh n GLN 9 Ca 0.01 -0.05 -0.44 0.00 -0.01 0.00 0.00 57.00 56.52 2grh n GLN 9 Cb 0.21 -1.50 -0.00 0.00 1.02 0.00 0.00 30.24 29.97 2grh n GLN 9 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2grh s LEU 10 N -2.66 4.62 1.02 1.08 1.43 -0.90 -4.94 118.68 118.33 2grh s LEU 10 Ca 0.25 -2.66 -0.16 0.00 -1.03 0.00 0.00 54.13 50.53 2grh s LEU 10 Cb 0.20 -2.46 0.20 0.00 0.03 0.00 0.00 46.19 44.16 2grh s LEU 10 CO 0.49 -0.94 1.19 0.42 0.23 0.00 0.00 176.35 177.74 2grh s THR 11 N 2.64 1.87 0.19 5.49 -4.23 -1.26 -4.69 115.64 115.65 2grh s THR 11 Ca 0.45 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.84 2grh s THR 11 Cb -0.01 -2.75 0.11 0.00 1.34 0.00 0.00 72.50 71.19 2grh s THR 11 CO 0.01 0.00 1.72 0.00 -0.54 0.00 0.00 174.62 175.80 2grh h ALA 12 N -1.88 0.57 -0.74 3.99 0.00 -1.98 0.47 119.26 119.70 2grh h ALA 12 Ca -0.47 0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 2grh h ALA 12 Cb 1.29 0.14 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 2grh h ALA 12 CO 0.45 -0.31 0.23 -0.44 0.00 0.00 0.00 179.25 179.18 2grh h ASP 13 N 0.24 1.09 -0.25 0.00 3.32 -1.99 -1.59 116.42 117.23 2grh h ASP 13 Ca 0.26 -0.21 -0.05 0.00 0.02 0.00 0.00 57.03 57.04 2grh h ASP 13 Cb 0.35 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2grh h ASP 13 CO -0.33 1.01 -0.05 0.58 -1.72 0.00 0.00 179.24 178.73 2grh h VAL 14 N 1.11 1.28 -0.79 -1.35 2.07 -1.73 -2.18 116.25 114.65 2grh h VAL 14 Ca 0.24 -1.03 0.03 0.00 0.82 0.00 0.00 66.70 66.76 2grh h VAL 14 Cb 0.32 1.45 -0.05 0.00 -1.52 0.00 0.00 31.29 31.49 2grh h VAL 14 CO -0.01 0.32 0.51 0.11 0.02 0.00 0.00 177.57 178.52 2grh h LYS 15 N 0.22 0.97 -0.49 1.57 1.57 -0.80 -0.82 116.57 118.79 2grh h LYS 15 Ca 0.06 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 2grh h LYS 15 Cb 0.50 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 2grh h LYS 15 CO 0.02 0.64 0.18 -0.22 -0.57 0.00 0.00 179.45 179.50 2grh h LYS 16 N 0.99 0.74 -0.38 3.15 1.63 -1.19 -0.98 116.57 120.54 2grh h LYS 16 Ca 0.32 -0.14 -0.07 0.00 -0.85 0.00 0.00 60.65 59.90 2grh h LYS 16 Cb -0.00 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.50 2grh h LYS 16 CO -0.11 0.67 -0.05 -0.44 -3.45 0.00 0.00 179.45 176.08 2grh h ASP 17 N 0.65 0.59 -0.23 4.20 3.32 -0.97 0.13 116.42 124.10 2grh h ASP 17 Ca 0.16 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 2grh h ASP 17 Cb 0.23 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 2grh h ASP 17 CO -0.01 0.69 0.03 -0.07 -1.72 0.00 0.00 179.24 178.16 2grh h LEU 18 N 0.58 0.37 -0.38 1.55 3.38 -0.79 -2.12 115.31 117.90 2grh h LEU 18 Ca 0.11 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.77 2grh h LEU 18 Cb 0.44 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2grh h LEU 18 CO 0.02 0.55 0.09 0.03 0.09 0.00 0.00 178.44 179.22 2grh h ARG 19 N 0.18 0.61 -0.60 1.13 3.08 -0.90 -0.66 114.38 117.21 2grh h ARG 19 Ca 0.07 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 59.96 2grh h ARG 19 Cb 0.35 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 2grh h ARG 19 CO 0.01 0.65 0.36 -0.44 -1.07 0.00 0.00 179.97 179.48 2grh h ASP 20 N 0.46 0.73 0.44 7.04 3.32 -0.96 -1.93 116.42 125.52 2grh h ASP 20 Ca 0.12 -0.06 -0.19 0.00 0.02 0.00 0.00 57.03 56.91 2grh h ASP 20 Cb 0.32 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 2grh h ASP 20 CO 0.00 0.58 -0.82 0.77 -1.72 0.00 0.00 179.24 178.05 2grh h SER 21 N 0.82 0.36 0.13 6.45 4.64 -1.34 -3.18 113.55 121.42 2grh h SER 21 Ca 0.22 -0.26 -0.06 0.00 -0.47 0.00 0.00 61.79 61.21 2grh h SER 21 Cb -0.02 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 2grh h SER 21 CO -0.04 1.03 -0.23 -0.25 -0.87 0.00 0.00 176.83 176.47 2grh h TRP 22 N 0.18 0.20 -0.52 4.77 2.91 -0.88 -1.78 115.95 120.82 2grh h TRP 22 Ca -0.04 -0.03 0.10 0.00 1.13 0.00 0.00 58.89 60.05 2grh h TRP 22 Cb 1.42 -0.05 -0.03 0.00 -0.51 0.00 0.00 29.16 29.99 2grh h TRP 22 CO 0.04 0.40 0.36 -0.22 -1.03 0.00 0.00 178.44 177.99 2grh h LYS 23 N 0.17 0.25 0.00 2.65 3.64 -1.33 0.26 116.57 122.22 2grh h LYS 23 Ca 0.03 -0.02 -0.17 0.00 -1.27 0.00 0.00 60.65 59.22 2grh h LYS 23 Cb 0.50 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.24 2grh h LYS 23 CO 0.03 0.17 -1.04 0.28 -2.27 0.00 0.00 179.45 176.62 2grh h VAL 24 N 0.26 0.72 -0.17 2.00 2.07 -1.52 -3.33 116.25 116.29 2grh h VAL 24 Ca 0.24 -1.90 -0.10 0.00 0.82 0.00 0.00 66.70 65.76 2grh h VAL 24 Cb 0.61 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.10 2grh h VAL 24 CO -0.05 0.25 -0.32 0.40 0.02 0.00 0.00 177.57 177.87 2grh h ILE 25 N -1.00 1.28 0.00 4.57 5.03 -1.28 -2.81 117.51 123.29 2grh h ILE 25 Ca -0.26 -1.33 0.00 0.00 -0.12 0.00 0.00 64.86 63.15 2grh h ILE 25 Cb 1.10 1.50 0.00 0.00 -3.03 0.00 0.00 36.82 36.39 2grh h ILE 25 CO -0.16 0.41 0.00 0.61 -0.68 0.00 0.00 178.15 178.33 2grh n GLY 26 N -0.34 -1.41 0.28 5.37 0.00 0.92 -3.33 105.19 106.69 2grh n GLY 26 Ca -0.01 -0.03 0.18 0.00 0.00 0.00 0.00 46.02 46.16 2grh n GLY 26 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2grh h SER 27 N 0.00 0.00 -2.59 1.61 4.64 -1.60 -3.31 113.55 112.29 2grh h SER 27 Ca 0.00 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.72 2grh h SER 27 Cb 0.49 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.18 2grh h SER 27 CO 0.00 0.00 -0.83 -0.67 -0.87 0.00 0.00 176.83 174.46 2grh n ASP 28 N -3.08 0.85 -0.22 4.97 2.03 -1.21 -4.98 116.55 114.91 2grh n ASP 28 Ca 0.00 -2.70 -0.07 0.00 0.52 0.00 0.00 54.79 52.54 2grh n ASP 28 Cb 0.30 -0.63 0.07 0.00 -0.72 0.00 0.00 41.12 40.14 2grh n ASP 28 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2grh h LYS 29 N 5.45 1.06 0.07 -0.67 1.57 -1.77 -0.55 116.57 121.73 2grh h LYS 29 Ca 0.22 -0.28 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2grh h LYS 29 Cb 0.85 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.03 2grh h LYS 29 CO 0.51 0.97 -0.03 -0.22 -0.57 0.00 0.00 179.45 180.11 2grh h LYS 30 N 1.00 -0.09 0.02 3.15 3.64 -1.92 0.12 116.57 122.49 2grh h LYS 30 Ca 0.20 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 2grh h LYS 30 Cb 0.43 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 2grh h LYS 30 CO 0.01 0.31 -0.01 0.78 -2.27 0.00 0.00 179.45 178.27 2grh h GLY 31 N -0.50 -0.03 2.00 5.01 0.00 -1.97 -2.21 103.07 105.37 2grh h GLY 31 Ca -0.01 0.01 -0.09 0.00 0.00 0.00 0.00 47.33 47.24 2grh h GLY 31 CO 0.02 -0.01 -0.44 3.43 0.00 0.00 0.00 176.54 179.54 2grh h ASN 32 N -0.22 0.00 -0.13 0.19 2.35 -1.20 -2.30 115.58 114.26 2grh h ASN 32 Ca -0.00 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 2grh h ASN 32 Cb 0.21 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.58 2grh h ASN 32 CO 0.00 0.44 -0.17 1.23 -1.65 0.00 0.00 177.43 177.28 2grh h GLY 33 N 2.70 0.38 1.41 2.83 0.00 -0.94 -1.23 103.07 108.23 2grh h GLY 33 Ca -0.00 -0.42 -0.07 0.00 0.00 0.00 0.00 47.33 46.84 2grh h GLY 33 CO 0.06 0.38 -0.03 -2.08 0.00 0.00 0.00 176.54 174.86 2grh h VAL 34 N -0.04 1.24 -0.64 4.60 2.07 -1.42 -1.62 116.25 120.44 2grh h VAL 34 Ca 0.02 -1.01 -0.04 0.00 0.82 0.00 0.00 66.70 66.49 2grh h VAL 34 Cb 0.73 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 2grh h VAL 34 CO 0.04 0.35 0.25 0.00 0.02 0.00 0.00 177.57 178.23 2grh h ALA 35 N 1.29 0.83 0.37 1.67 0.00 -1.33 -0.61 119.26 121.49 2grh h ALA 35 Ca 0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2grh h ALA 35 Cb 0.46 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2grh h ALA 35 CO 0.02 0.45 -0.18 1.25 0.00 0.00 0.00 179.25 180.79 2grh h LEU 36 N 0.90 -0.42 -0.38 0.00 5.85 -0.85 -1.67 115.31 118.74 2grh h LEU 36 Ca 0.21 -0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 2grh h LEU 36 Cb 0.21 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 2grh h LEU 36 CO -0.02 -0.21 0.16 0.58 -0.34 0.00 0.00 178.44 178.62 2grh h VAL 37 N -0.61 1.18 0.00 1.05 2.07 -1.25 -2.12 116.25 116.57 2grh h VAL 37 Ca -0.05 -0.55 -0.06 0.00 0.82 0.00 0.00 66.70 66.86 2grh h VAL 37 Cb 0.45 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.05 2grh h VAL 37 CO 0.08 0.20 -0.29 0.71 0.02 0.00 0.00 177.57 178.30 2grh h THR 38 N 0.47 1.01 -0.19 2.57 1.35 -1.14 -2.03 112.91 114.96 2grh h THR 38 Ca 0.13 -1.06 -0.15 0.00 -0.55 0.00 0.00 66.41 64.78 2grh h THR 38 Cb 0.16 1.60 -0.01 0.00 -1.73 0.00 0.00 68.15 68.18 2grh h THR 38 CO -0.01 0.28 -0.52 0.74 -0.25 0.00 0.00 175.52 175.76 2grh h THR 39 N 0.00 1.32 -0.58 6.82 2.02 -1.01 -0.86 112.91 120.62 2grh h THR 39 Ca -0.00 -1.76 -0.00 0.00 0.77 0.00 0.00 66.41 65.41 2grh h THR 39 Cb 0.58 1.74 -0.03 0.00 -1.74 0.00 0.00 68.15 68.70 2grh h THR 39 CO 0.04 0.55 0.35 0.25 0.37 0.00 0.00 175.52 177.07 2grh h LEU 40 N 0.42 0.69 -0.56 2.58 5.85 -0.71 -0.27 115.31 123.30 2grh h LEU 40 Ca 0.01 -0.06 -0.12 0.00 0.84 0.00 0.00 57.88 58.55 2grh h LEU 40 Cb 1.05 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.90 2grh h LEU 40 CO 0.10 0.54 -0.20 -0.26 -0.34 0.00 0.00 178.44 178.28 2grh h PHE 41 N 0.78 1.08 -0.12 1.25 0.04 -1.17 -0.22 116.94 118.58 2grh h PHE 41 Ca 0.21 -0.25 -0.03 0.00 2.80 0.00 0.00 57.97 60.70 2grh h PHE 41 Cb -0.02 -0.26 -0.00 0.00 2.20 0.00 0.00 35.95 37.87 2grh h PHE 41 CO -0.02 1.05 -0.03 0.00 -0.60 0.00 0.00 178.31 178.71 2grh h ALA 42 N 0.94 0.16 0.00 2.45 0.00 -0.88 -2.85 119.26 119.09 2grh h ALA 42 Ca 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2grh h ALA 42 Cb 0.76 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.51 2grh h ALA 42 CO 0.06 -0.10 -0.03 -0.44 0.00 0.00 0.00 179.25 178.74 2grh h ASP 43 N -0.08 0.00 -2.04 0.00 3.32 -1.08 -3.37 116.42 113.18 2grh h ASP 43 Ca 0.03 0.00 -0.55 0.00 0.02 0.00 0.00 57.03 56.53 2grh h ASP 43 Cb 0.44 0.00 -0.40 0.00 0.22 0.00 0.00 39.33 39.59 2grh h ASP 43 CO 0.01 0.03 -1.03 0.59 -1.72 0.00 0.00 179.24 177.12 2grh n ASN 44 N -3.11 0.92 0.29 6.45 4.13 -0.10 -4.96 115.26 118.90 2grh n ASN 44 Ca 0.04 -2.88 0.14 0.00 1.68 0.00 0.00 54.58 53.56 2grh n ASN 44 Cb 0.52 -0.64 0.69 0.00 -1.54 0.00 0.00 39.78 38.81 2grh n ASN 44 CO 0.00 0.00 0.00 0.06 0.28 0.00 0.00 177.26 177.60 2grh h GLN 45 N 3.84 0.00 0.00 3.52 3.07 -1.68 -0.75 115.11 123.11 2grh h GLN 45 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.83 2grh h GLN 45 Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.41 2grh h GLN 45 CO 0.53 0.00 0.00 -0.85 0.09 0.00 0.00 178.83 178.60 2grh n GLU 46 N -2.94 0.29 0.01 0.06 0.00 -1.26 -3.11 120.64 113.69 2grh n GLU 46 Ca -0.00 0.07 0.11 0.00 0.00 0.00 0.00 57.16 57.34 2grh n GLU 46 Cb 0.52 -1.50 -0.06 0.00 0.00 0.00 0.00 31.44 30.40 2grh n GLU 46 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 2grh n THR 47 N -1.31 0.10 -0.16 3.84 -2.24 -0.29 -4.38 114.28 109.85 2grh n THR 47 Ca 0.10 -0.26 0.15 0.00 -2.27 0.00 0.00 64.05 61.77 2grh n THR 47 Cb 0.19 0.32 0.50 0.00 -2.10 0.00 0.00 70.33 69.24 2grh n THR 47 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2grh h ILE 48 N 0.00 0.81 -0.38 2.28 2.04 -1.70 -2.03 117.51 118.53 2grh h ILE 48 Ca 0.00 -0.15 0.11 0.00 1.00 0.00 0.00 64.86 65.82 2grh h ILE 48 Cb 0.75 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 2grh h ILE 48 CO 0.00 0.08 0.28 1.23 0.00 0.00 0.00 178.15 179.74 2grh h GLY 49 N 0.43 0.00 2.00 5.37 0.00 -1.81 -1.13 103.07 107.93 2grh h GLY 49 Ca 0.36 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.66 2grh h GLY 49 CO -0.12 0.00 -0.12 -0.97 0.00 0.00 0.00 176.54 175.33 2grh h TYR 50 N 0.00 0.00 -0.99 5.60 0.05 -1.68 -3.25 116.97 116.70 2grh h TYR 50 Ca 0.18 0.00 -0.59 0.00 0.05 0.00 0.00 58.73 58.37 2grh h TYR 50 Cb 0.73 0.00 -0.30 0.00 1.01 0.00 0.00 36.73 38.18 2grh h TYR 50 CO 0.00 0.12 0.76 1.19 -1.05 0.00 0.00 178.16 179.18 2grh n PHE 51 N -3.26 3.13 -0.13 4.88 3.72 -0.43 -4.68 117.46 120.68 2grh n PHE 51 Ca 0.00 -2.40 0.19 0.00 -0.05 0.00 0.00 57.45 55.19 2grh n PHE 51 Cb 0.38 -1.18 0.59 0.00 -0.94 0.00 0.00 39.48 38.32 2grh n PHE 51 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 2grh h LYS 52 N 1.47 0.24 0.00 -1.08 3.11 -1.69 -1.99 116.57 116.62 2grh h LYS 52 Ca 0.62 -0.01 -0.04 0.00 -2.81 0.00 0.00 60.65 58.40 2grh h LYS 52 Cb 1.89 -0.05 -0.01 0.00 -1.00 0.00 0.00 32.23 33.06 2grh h LYS 52 CO 1.33 0.16 -0.21 -0.09 -2.81 0.00 0.00 179.45 177.83 2grh h ARG 53 N 0.24 0.00 0.00 1.90 2.43 -1.92 -2.80 114.38 114.22 2grh h ARG 53 Ca 0.36 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.53 2grh h ARG 53 Cb 1.05 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 2grh h ARG 53 CO -0.08 0.21 0.00 1.28 -1.51 0.00 0.00 179.97 179.87 2grh n LEU 54 N -3.99 0.00 0.00 3.80 4.77 -0.75 -5.01 117.00 115.82 2grh n LEU 54 Ca -0.02 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.27 2grh n LEU 54 Cb 0.29 -0.31 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 2grh n LEU 54 CO 0.35 -0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 2grh n GLY 55 N 1.07 0.68 3.55 -0.72 0.00 -1.06 -4.52 105.19 104.17 2grh n GLY 55 Ca 0.12 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.88 2grh n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2grh s ASP 56 N -4.00 6.33 0.25 1.61 2.15 -1.26 -4.85 116.67 116.89 2grh s ASP 56 Ca 0.00 -0.99 0.23 0.00 0.43 0.00 0.00 52.55 52.23 2grh s ASP 56 Cb 0.00 -2.55 0.96 0.00 -0.30 0.00 0.00 42.92 41.03 2grh s ASP 56 CO 0.00 -1.64 1.70 1.33 -0.17 0.00 0.00 175.17 176.39 2grh n VAL 57 N 6.56 0.83 0.37 1.11 0.24 -1.26 -2.54 118.33 123.64 2grh n VAL 57 Ca 0.17 0.22 0.12 0.00 -2.04 0.00 0.00 64.34 62.81 2grh n VAL 57 Cb 0.50 -1.14 0.52 0.00 -1.47 0.00 0.00 33.84 32.24 2grh n VAL 57 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 2grh h SER 58 N 0.00 0.00 0.89 -1.34 4.64 -1.98 -2.10 113.55 113.65 2grh h SER 58 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2grh h SER 58 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 2grh h SER 58 CO 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 2grh n GLN 59 N -2.31 0.11 0.00 4.77 6.02 -1.05 -4.95 117.38 119.96 2grh n GLN 59 Ca 0.02 0.23 0.00 0.00 -0.01 0.00 0.00 57.00 57.24 2grh n GLN 59 Cb 0.22 -1.67 0.00 0.00 1.02 0.00 0.00 30.24 29.82 2grh n GLN 59 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2grh n GLY 60 N 0.63 3.30 0.41 1.08 0.00 -0.79 -2.18 105.19 107.64 2grh n GLY 60 Ca 0.04 -0.00 0.23 0.00 0.00 0.00 0.00 46.02 46.29 2grh n GLY 60 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2grh h MET 61 N 0.00 0.00 0.00 1.61 1.85 -1.92 -0.99 114.93 115.48 2grh h MET 61 Ca 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 2grh h MET 61 Cb 0.00 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.03 2grh h MET 61 CO 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 176.91 176.51 2grh n ALA 62 N -2.64 1.86 -2.54 0.39 0.00 -0.92 -4.58 120.51 112.08 2grh n ALA 62 Ca 0.13 0.03 -0.43 0.00 0.00 0.00 0.00 53.44 53.17 2grh n ALA 62 Cb 0.73 -1.40 -0.05 0.00 0.00 0.00 0.00 19.45 18.73 2grh n ALA 62 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2grh s ASN 63 N -4.11 6.41 0.23 0.00 3.84 -0.38 -4.94 114.94 115.98 2grh s ASN 63 Ca 0.07 -0.11 -0.08 0.00 0.21 0.00 0.00 52.86 52.94 2grh s ASN 63 Cb 0.11 -2.38 0.24 0.00 -0.55 0.00 0.00 41.25 38.67 2grh s ASN 63 CO 0.44 -0.91 1.87 0.44 -2.79 0.00 0.00 177.10 176.16 2grh h ASP 64 N 8.96 0.89 -0.67 -4.21 3.32 -1.86 -0.51 116.42 122.34 2grh h ASP 64 Ca -0.25 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.72 2grh h ASP 64 Cb 1.09 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.41 2grh h ASP 64 CO 0.96 0.61 0.11 0.11 -1.72 0.00 0.00 179.24 179.31 2grh h LYS 65 N 1.04 1.11 -0.51 3.56 1.57 -1.92 -0.55 116.57 120.87 2grh h LYS 65 Ca 0.33 -0.29 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 2grh h LYS 65 Cb -0.00 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 2grh h LYS 65 CO -0.11 1.01 -0.04 1.25 -0.57 0.00 0.00 179.45 181.00 2grh h LEU 66 N 1.04 0.91 -0.51 2.94 6.46 -1.68 -1.26 115.31 123.20 2grh h LEU 66 Ca 0.20 -0.32 -0.04 0.00 -0.12 0.00 0.00 57.88 57.60 2grh h LEU 66 Cb 0.44 -0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.10 2grh h LEU 66 CO 0.01 1.01 0.18 -0.09 -0.62 0.00 0.00 178.44 178.93 2grh h ARG 67 N 0.78 0.79 -0.76 1.25 2.43 -0.86 0.57 114.38 118.57 2grh h ARG 67 Ca 0.14 -0.16 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 2grh h ARG 67 Cb 0.57 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.97 2grh h ARG 67 CO 0.03 0.72 0.25 0.78 -1.51 0.00 0.00 179.97 180.24 2grh h GLY 68 N 0.70 1.26 0.84 2.80 0.00 -0.96 -1.45 103.07 106.27 2grh h GLY 68 Ca 0.17 -0.74 -0.02 0.00 0.00 0.00 0.00 47.33 46.74 2grh h GLY 68 CO -0.01 0.69 0.03 0.84 0.00 0.00 0.00 176.54 178.10 2grh h HIS 69 N 1.13 0.36 -0.60 5.60 -0.00 -0.98 -2.47 115.15 118.19 2grh h HIS 69 Ca 0.25 -0.05 -0.03 0.00 -0.00 0.00 0.00 60.37 60.54 2grh h HIS 69 Cb 0.30 -0.10 -0.03 0.00 -0.00 0.00 0.00 27.41 27.58 2grh h HIS 69 CO 0.03 0.48 0.26 0.77 -0.00 0.00 0.00 177.93 179.46 2grh h SER 70 N 0.13 0.81 -0.31 3.26 0.02 -0.67 -0.40 113.55 116.38 2grh h SER 70 Ca 0.06 -0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 60.84 2grh h SER 70 Cb 0.31 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 2grh h SER 70 CO 0.00 0.74 0.13 0.40 -1.14 0.00 0.00 176.83 176.96 2grh h ILE 71 N 0.83 1.18 -0.62 3.27 2.04 -1.30 -2.59 117.51 120.32 2grh h ILE 71 Ca 0.20 -0.54 -0.01 0.00 1.00 0.00 0.00 64.86 65.51 2grh h ILE 71 Cb 0.17 0.96 -0.03 0.00 -0.74 0.00 0.00 36.82 37.17 2grh h ILE 71 CO -0.02 0.19 0.34 0.74 0.00 0.00 0.00 178.15 179.39 2grh h THR 72 N 0.36 1.19 -0.87 -0.27 2.02 -1.15 -1.60 112.91 112.58 2grh h THR 72 Ca 0.10 -0.47 -0.01 0.00 0.77 0.00 0.00 66.41 66.80 2grh h THR 72 Cb 0.18 0.36 -0.04 0.00 -1.74 0.00 0.00 68.15 66.90 2grh h THR 72 CO -0.01 0.21 0.50 0.25 0.37 0.00 0.00 175.52 176.84 2grh h LEU 73 N 0.86 1.07 -1.72 2.58 6.46 -0.79 -1.59 115.31 122.17 2grh h LEU 73 Ca 0.22 -0.08 -0.04 0.00 -0.12 0.00 0.00 57.88 57.86 2grh h LEU 73 Cb 0.02 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 39.68 2grh h LEU 73 CO -0.04 0.84 -0.18 0.24 -0.62 0.00 0.00 178.44 178.69 2grh h MET 74 N 1.21 0.00 0.00 1.25 2.86 -0.91 -1.36 114.93 117.97 2grh h MET 74 Ca 0.31 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.95 2grh h MET 74 Cb -0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.65 2grh h MET 74 CO -0.05 0.18 0.00 1.88 1.06 0.00 0.00 176.91 179.97 2grh h TYR 75 N 0.00 0.00 -0.15 -0.22 0.05 -1.05 -0.95 116.97 114.65 2grh h TYR 75 Ca -0.00 0.00 -0.19 0.00 0.05 0.00 0.00 58.73 58.59 2grh h TYR 75 Cb 0.38 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.12 2grh h TYR 75 CO 0.00 0.00 -0.63 0.00 -1.05 0.00 0.00 178.16 176.48 2grh h ALA 76 N 2.01 0.28 -0.50 3.88 0.00 -0.91 -1.58 119.26 122.45 2grh h ALA 76 Ca 0.00 -0.55 -0.10 0.00 0.00 0.00 0.00 54.91 54.26 2grh h ALA 76 Cb 0.88 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2grh h ALA 76 CO 0.00 0.56 -0.08 -0.07 0.00 0.00 0.00 179.25 179.65 2grh h LEU 77 N 0.39 0.90 -0.71 0.00 3.38 -1.26 -1.67 115.31 116.35 2grh h LEU 77 Ca -0.04 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.69 2grh h LEU 77 Cb 1.27 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.73 2grh h LEU 77 CO 0.13 1.01 0.44 -0.61 0.09 0.00 0.00 178.44 179.50 2grh h GLN 78 N 0.82 0.83 -0.04 1.13 5.75 -1.09 -1.37 115.11 121.14 2grh h GLN 78 Ca 0.14 -0.05 0.02 0.00 -0.15 0.00 0.00 58.65 58.61 2grh h GLN 78 Cb 0.60 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 28.94 2grh h GLN 78 CO 0.04 0.55 -0.10 -0.97 -2.65 0.00 0.00 178.83 175.70 2grh h ASN 79 N 0.85 -0.30 -0.38 -0.69 -0.73 -0.85 -0.97 115.58 112.52 2grh h ASN 79 Ca 0.29 0.05 0.04 0.00 1.87 0.00 0.00 56.30 58.55 2grh h ASN 79 Cb 0.03 0.14 -0.04 0.00 0.27 0.00 0.00 38.32 38.72 2grh h ASN 79 CO -0.11 -0.14 0.16 -0.26 -0.37 0.00 0.00 177.43 176.70 2grh h PHE 80 N -0.15 0.29 -0.69 0.67 0.04 -0.79 -2.15 116.94 114.16 2grh h PHE 80 Ca 0.05 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.85 2grh h PHE 80 Cb 0.23 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 38.27 2grh h PHE 80 CO -0.19 0.13 0.45 0.82 -0.60 0.00 0.00 178.31 178.93 2grh h ILE 81 N 0.33 1.16 0.00 -0.55 1.08 -0.96 -1.82 117.51 116.75 2grh h ILE 81 Ca 0.17 -0.32 -0.01 0.00 -0.39 0.00 0.00 64.86 64.32 2grh h ILE 81 Cb 0.12 0.16 -0.00 0.00 -3.07 0.00 0.00 36.82 34.03 2grh h ILE 81 CO -0.15 0.17 -0.03 0.44 -0.69 0.00 0.00 178.15 177.89 2grh h ASP 82 N 0.92 0.00 -0.09 1.72 3.32 -0.72 -2.69 116.42 118.87 2grh h ASP 82 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 2grh h ASP 82 Cb -0.09 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.46 2grh h ASP 82 CO -0.06 0.03 0.00 0.00 -1.72 0.00 0.00 179.24 177.49 2grh n GLN 83 N -3.19 2.05 0.03 3.56 1.13 -0.70 -4.46 117.38 115.79 2grh n GLN 83 Ca -0.01 -1.55 0.18 0.00 -1.94 0.00 0.00 57.00 53.68 2grh n GLN 83 Cb 0.22 -1.47 0.67 0.00 0.11 0.00 0.00 30.24 29.77 2grh n GLN 83 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2grh h LEU 84 N 3.57 0.03 -1.00 1.08 3.38 -1.26 -1.94 115.31 119.17 2grh h LEU 84 Ca 0.00 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 2grh h LEU 84 Cb 0.77 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 2grh h LEU 84 CO 0.00 0.02 -0.25 0.44 0.09 0.00 0.00 178.44 178.74 2grh h ASP 85 N 0.04 0.42 -3.72 -0.43 3.32 -1.83 -3.40 116.42 110.81 2grh h ASP 85 Ca 0.22 -0.14 -0.67 0.00 0.02 0.00 0.00 57.03 56.47 2grh h ASP 85 Cb 0.84 -0.11 -0.39 0.00 0.22 0.00 0.00 39.33 39.89 2grh h ASP 85 CO -0.01 0.67 -0.72 0.21 -1.72 0.00 0.00 179.24 177.67 2grh s ASN 86 N -6.82 4.74 0.28 6.45 3.84 -0.73 -5.01 114.94 117.69 2grh s ASN 86 Ca -0.06 -1.93 0.01 0.00 0.21 0.00 0.00 52.86 51.08 2grh s ASN 86 Cb 0.14 -1.63 0.55 0.00 -0.55 0.00 0.00 41.25 39.76 2grh s ASN 86 CO 0.78 -0.34 1.82 -0.65 -2.79 0.00 0.00 177.10 175.92 2grh h PRO 87 N 7.70 0.90 -0.40 0.43 0.11 -1.79 -0.93 132.00 138.02 2grh h PRO 87 Ca -0.09 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.93 2grh h PRO 87 Cb 1.03 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.91 2grh h PRO 87 CO 0.52 0.60 0.09 -0.44 -0.21 0.00 0.00 178.00 178.56 2grh h ASP 88 N 0.93 0.55 0.59 -2.05 3.32 -1.95 -0.03 116.42 117.77 2grh h ASP 88 Ca 0.49 -0.08 -0.26 0.00 0.02 0.00 0.00 57.03 57.20 2grh h ASP 88 Cb 0.52 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.94 2grh h ASP 88 CO -0.28 0.55 -1.17 0.44 -1.72 0.00 0.00 179.24 177.07 2grh h ASP 89 N 0.58 0.43 -0.49 6.45 3.32 -1.63 -2.67 116.42 122.41 2grh h ASP 89 Ca 0.13 -0.43 -0.03 0.00 0.02 0.00 0.00 57.03 56.73 2grh h ASP 89 Cb 0.23 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 2grh h ASP 89 CO -0.00 1.31 0.21 0.25 -1.72 0.00 0.00 179.24 179.28 2grh h LEU 90 N 0.10 0.66 -0.61 1.55 5.85 -0.84 -2.48 115.31 119.54 2grh h LEU 90 Ca -0.12 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.43 2grh h LEU 90 Cb 1.88 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 42.71 2grh h LEU 90 CO 0.19 0.64 0.33 0.58 -0.34 0.00 0.00 178.44 179.84 2grh h VAL 91 N 0.65 1.20 0.00 1.05 2.07 -1.03 -0.92 116.25 119.27 2grh h VAL 91 Ca 0.16 -0.51 -0.08 0.00 0.82 0.00 0.00 66.70 67.09 2grh h VAL 91 Cb 0.18 0.42 -0.01 0.00 -1.52 0.00 0.00 31.29 30.35 2grh h VAL 91 CO -0.02 0.22 -0.40 0.00 0.02 0.00 0.00 177.57 177.39 2grh h VAL 93 N 0.00 1.54 -0.59 0.00 -1.51 -1.21 -2.80 116.25 111.67 2grh h VAL 93 Ca -0.00 -3.07 -0.05 0.00 -1.23 0.00 0.00 66.70 62.34 2grh h VAL 93 Cb 0.75 2.86 -0.02 0.00 -2.13 0.00 0.00 31.29 32.75 2grh h VAL 93 CO 0.05 0.89 0.17 0.58 -1.23 0.00 0.00 177.57 178.04 2grh h VAL 94 N 0.07 1.24 0.00 7.19 2.07 -0.88 -2.33 116.25 123.62 2grh h VAL 94 Ca -0.10 -0.85 -0.07 0.00 0.82 0.00 0.00 66.70 66.50 2grh h VAL 94 Cb 1.88 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 2grh h VAL 94 CO 0.18 0.32 -0.33 -0.33 0.02 0.00 0.00 177.57 177.43 2grh h GLU 95 N 0.85 0.00 -0.16 1.57 5.08 -1.19 0.55 114.58 121.28 2grh h GLU 95 Ca 0.19 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.53 2grh h GLU 95 Cb 0.31 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 2grh h GLU 95 CO -0.00 0.33 0.02 -0.22 -1.00 0.00 0.00 179.01 178.13 2grh h LYS 96 N 0.00 0.27 0.00 2.33 3.11 -1.17 -2.23 116.57 118.89 2grh h LYS 96 Ca -0.00 -0.08 -0.08 0.00 -2.81 0.00 0.00 60.65 57.68 2grh h LYS 96 Cb 0.60 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.79 2grh h LYS 96 CO 0.04 0.47 -0.38 0.74 -2.81 0.00 0.00 179.45 177.51 2grh h PHE 97 N 0.04 0.00 -0.53 1.91 0.04 -1.13 -2.91 116.94 114.36 2grh h PHE 97 Ca 0.05 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.77 2grh h PHE 97 Cb 0.33 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.46 2grh h PHE 97 CO 0.02 0.38 0.13 0.00 -0.60 0.00 0.00 178.31 178.25 2grh h ALA 98 N 1.62 0.70 -0.76 2.45 0.00 -0.69 -2.41 119.26 120.17 2grh h ALA 98 Ca -0.00 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.71 2grh h ALA 98 Cb 0.93 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 2grh h ALA 98 CO 0.05 0.40 0.51 0.28 0.00 0.00 0.00 179.25 180.48 2grh h VAL 99 N 0.75 1.18 -0.12 0.00 2.07 -1.21 0.15 116.25 119.07 2grh h VAL 99 Ca 0.17 -0.35 0.02 0.00 0.82 0.00 0.00 66.70 67.35 2grh h VAL 99 Cb 0.33 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 2grh h VAL 99 CO 0.00 0.19 0.08 0.78 0.02 0.00 0.00 177.57 178.64 2grh h ASN 100 N 1.02 0.08 0.41 0.57 -0.26 -1.35 -1.97 115.58 114.08 2grh h ASN 100 Ca 0.28 -0.00 -0.30 0.00 -0.56 0.00 0.00 56.30 55.72 2grh h ASN 100 Cb -0.09 -0.02 -0.05 0.00 -1.06 0.00 0.00 38.32 37.10 2grh h ASN 100 CO -0.07 0.06 -1.82 1.41 -1.06 0.00 0.00 177.43 175.96 2grh n HIS 101 N -4.52 0.82 -0.18 1.19 8.25 -0.30 -3.83 115.22 116.66 2grh n HIS 101 Ca -0.01 0.30 -0.06 0.00 -0.26 0.00 0.00 57.72 57.69 2grh n HIS 101 Cb 0.13 -1.15 0.11 0.00 1.12 0.00 0.00 29.99 30.21 2grh n HIS 101 CO 0.00 0.00 0.00 0.82 0.64 0.00 0.00 176.34 177.80 2grh h ILE 102 N 0.00 1.25 0.00 1.59 2.04 -0.40 -1.16 117.51 120.82 2grh h ILE 102 Ca -0.32 -0.97 -0.01 0.00 1.00 0.00 0.00 64.86 64.56 2grh h ILE 102 Cb 2.03 0.70 -0.00 0.00 -0.74 0.00 0.00 36.82 38.81 2grh h ILE 102 CO 0.07 0.36 -0.02 0.71 0.00 0.00 0.00 178.15 179.26 2grh h THR 103 N 0.90 0.08 -0.16 -0.27 1.35 -1.52 -1.19 112.91 112.09 2grh h THR 103 Ca 0.18 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 65.57 2grh h THR 103 Cb 0.40 1.43 0.00 0.00 -1.73 0.00 0.00 68.15 68.25 2grh h THR 103 CO 0.01 0.02 0.00 0.54 -0.25 0.00 0.00 175.52 175.84 2grh n ARG 104 N -3.15 2.04 -2.71 4.72 3.00 -0.67 -4.95 116.66 114.95 2grh n ARG 104 Ca -0.00 -1.55 -0.13 0.00 -0.01 0.00 0.00 57.85 56.16 2grh n ARG 104 Cb 0.27 -1.46 0.02 0.00 0.00 0.00 0.00 32.46 31.29 2grh n ARG 104 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2grh n LYS 105 N 0.80 -2.92 -3.43 5.56 4.76 -0.45 -5.00 118.16 117.48 2grh n LYS 105 Ca 0.17 0.55 -0.39 0.00 -2.87 0.00 0.00 58.31 55.77 2grh n LYS 105 Cb 0.46 -4.65 -0.09 0.00 -1.84 0.00 0.00 35.03 28.91 2grh n LYS 105 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 2grh s ILE 106 N -2.91 5.20 0.71 -0.18 -1.09 -0.53 -5.03 121.20 117.37 2grh s ILE 106 Ca 0.18 0.52 -0.06 0.00 -2.23 0.00 0.00 60.65 59.05 2grh s ILE 106 Cb -0.08 -3.67 0.07 0.00 -1.58 0.00 0.00 42.46 37.20 2grh s ILE 106 CO 0.22 0.19 1.02 -0.94 -1.23 0.00 0.00 174.94 174.20 2grh s SER 107 N 1.55 4.70 0.29 3.58 1.04 -1.26 -4.49 113.70 119.10 2grh s SER 107 Ca 0.14 0.35 -0.02 0.00 0.48 0.00 0.00 55.95 56.90 2grh s SER 107 Cb -0.16 -0.95 0.41 0.00 0.10 0.00 0.00 66.02 65.42 2grh s SER 107 CO 0.09 -1.66 1.90 0.00 0.98 0.00 0.00 173.24 174.56 2grh h ALA 108 N -0.61 1.31 -0.38 5.32 0.00 -1.87 -0.91 119.26 122.12 2grh h ALA 108 Ca -0.44 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.30 2grh h ALA 108 Cb 1.31 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2grh h ALA 108 CO 0.57 0.55 0.03 0.00 0.00 0.00 0.00 179.25 180.40 2grh h ALA 109 N 1.41 0.51 -0.06 0.00 0.00 -1.94 -1.93 119.26 117.25 2grh h ALA 109 Ca 0.25 -0.23 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 2grh h ALA 109 Cb 0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 2grh h ALA 109 CO -0.04 0.25 -0.65 0.93 0.00 0.00 0.00 179.25 179.74 2grh h GLU 110 N 0.48 0.22 -0.51 0.00 5.08 -1.89 -2.77 114.58 115.19 2grh h GLU 110 Ca 0.11 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 2grh h GLU 110 Cb 0.41 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.67 2grh h GLU 110 CO 0.01 0.79 0.14 0.35 -1.00 0.00 0.00 179.01 179.31 2grh h PHE 111 N 0.16 0.78 0.00 4.33 3.57 -1.06 -1.52 116.94 123.20 2grh h PHE 111 Ca -0.01 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.43 2grh h PHE 111 Cb 1.17 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.68 2grh h PHE 111 CO 0.02 0.65 0.00 0.41 -2.23 0.00 0.00 178.31 177.16 2grh n GLY 112 N -0.94 -0.77 0.00 2.40 0.00 -0.74 -2.13 105.19 103.00 2grh n GLY 112 Ca 0.04 0.01 0.06 0.00 0.00 0.00 0.00 46.02 46.13 2grh n GLY 112 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2grh n LYS 113 N -1.64 0.11 0.16 1.61 5.02 -0.57 -1.98 118.16 120.87 2grh n LYS 113 Ca 0.01 0.21 0.13 0.00 -2.02 0.00 0.00 58.31 56.64 2grh n LYS 113 Cb 0.08 -1.50 0.34 0.00 -0.02 0.00 0.00 35.03 33.92 2grh n LYS 113 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 2grh h ILE 114 N 0.00 0.00 -0.88 -0.18 6.09 -1.63 -3.29 117.51 117.63 2grh h ILE 114 Ca 0.00 -0.66 -0.00 0.00 -1.37 0.00 0.00 64.86 62.82 2grh h ILE 114 Cb 0.16 1.65 -0.04 0.00 0.47 0.00 0.00 36.82 39.05 2grh h ILE 114 CO 0.00 0.00 0.53 0.78 -3.07 0.00 0.00 178.15 176.39 2grh h ASN 115 N 0.00 1.05 0.36 2.19 -0.26 -1.65 -1.48 115.58 115.79 2grh h ASN 115 Ca 0.00 -0.06 -0.02 0.00 -0.56 0.00 0.00 56.30 55.66 2grh h ASN 115 Cb 0.80 -0.26 0.00 0.00 -1.06 0.00 0.00 38.32 37.80 2grh h ASN 115 CO 0.00 0.80 -0.18 1.23 -1.06 0.00 0.00 177.43 178.22 2grh h GLY 116 N 1.22 -0.51 0.87 2.83 0.00 -1.79 -0.87 103.07 104.82 2grh h GLY 116 Ca 0.32 0.19 0.04 0.00 0.00 0.00 0.00 47.33 47.88 2grh h GLY 116 CO -0.06 -0.19 0.66 -2.55 0.00 0.00 0.00 176.54 174.40 2grh h PRO 117 N -0.49 1.24 -0.45 4.80 0.11 -1.69 -1.64 132.00 133.88 2grh h PRO 117 Ca -0.05 -0.07 -0.03 0.00 0.11 0.00 0.00 66.00 65.96 2grh h PRO 117 Cb 0.38 -0.28 -0.02 0.00 0.11 0.00 0.00 31.00 31.19 2grh h PRO 117 CO 0.08 0.82 0.17 0.82 -0.21 0.00 0.00 178.00 179.68 2grh h ILE 118 N 1.28 1.21 -0.91 4.15 2.04 -1.07 -0.26 117.51 123.95 2grh h ILE 118 Ca 0.40 -0.66 0.02 0.00 1.00 0.00 0.00 64.86 65.62 2grh h ILE 118 Cb 0.00 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 36.83 2grh h ILE 118 CO -0.13 0.24 0.60 0.50 0.00 0.00 0.00 178.15 179.36 2grh h LYS 119 N 0.59 1.16 -0.26 2.37 3.64 -0.70 -0.24 116.57 123.13 2grh h LYS 119 Ca 0.15 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.40 2grh h LYS 119 Cb 0.21 -0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2grh h LYS 119 CO -0.01 0.77 -0.07 0.87 -2.27 0.00 0.00 179.45 178.74 2grh h LYS 120 N 1.19 0.51 -0.66 1.90 1.57 -0.89 -0.20 116.57 119.99 2grh h LYS 120 Ca 0.34 -0.20 -0.06 0.00 -1.87 0.00 0.00 60.65 58.87 2grh h LYS 120 Cb -0.08 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 2grh h LYS 120 CO -0.09 0.73 0.18 0.28 -0.57 0.00 0.00 179.45 179.98 2grh h VAL 121 N 0.25 1.26 -0.35 0.50 2.07 -0.82 -1.73 116.25 117.42 2grh h VAL 121 Ca 0.06 -0.91 -0.02 0.00 0.82 0.00 0.00 66.70 66.65 2grh h VAL 121 Cb 0.55 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 2grh h VAL 121 CO 0.03 0.35 0.13 -0.07 0.02 0.00 0.00 177.57 178.03 2grh h LEU 122 N 0.97 0.50 -1.67 2.57 3.38 -0.96 -2.70 115.31 117.41 2grh h LEU 122 Ca 0.21 -0.18 0.02 0.00 0.09 0.00 0.00 57.88 58.02 2grh h LEU 122 Cb 0.34 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2grh h LEU 122 CO -0.00 0.54 0.25 0.00 0.09 0.00 0.00 178.44 179.32 2grh h ALA 123 N 0.98 1.80 0.00 1.53 0.00 -0.77 -0.09 119.26 122.70 2grh h ALA 123 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2grh h ALA 123 Cb 0.20 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2grh h ALA 123 CO -0.01 0.17 0.00 0.66 0.00 0.00 0.00 179.25 180.07 2grh h SER 124 N 0.45 0.00 -0.36 0.00 4.64 -0.98 -1.84 113.55 115.47 2grh h SER 124 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 2grh h SER 124 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2grh h SER 124 CO -0.03 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.22 2grh n LYS 125 N -2.58 3.15 -2.53 4.77 4.76 -0.17 -4.96 118.16 120.60 2grh n LYS 125 Ca 0.01 -2.64 -0.12 0.00 -2.87 0.00 0.00 58.31 52.70 2grh n LYS 125 Cb 0.24 -1.71 0.01 0.00 -1.84 0.00 0.00 35.03 31.73 2grh n LYS 125 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2grh n ASN 126 N 0.09 -3.92 -4.22 4.39 2.85 -0.69 -5.02 115.26 108.75 2grh n ASN 126 Ca 0.19 -0.11 -0.35 0.00 -0.11 0.00 0.00 54.58 54.20 2grh n ASN 126 Cb 0.77 -2.91 -0.14 0.00 1.24 0.00 0.00 39.78 38.75 2grh n ASN 126 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2grh s PHE 127 N -2.78 3.12 0.00 1.20 0.40 -0.47 -4.99 117.98 114.46 2grh s PHE 127 Ca 0.11 -1.54 0.00 0.00 -0.60 0.00 0.00 56.93 54.91 2grh s PHE 127 Cb -0.05 -2.10 0.00 0.00 0.51 0.00 0.00 43.02 41.38 2grh s PHE 127 CO 0.14 -0.72 0.00 0.41 0.70 0.00 0.00 175.22 175.75 2grh n GLY 128 N 4.69 -0.67 0.38 4.36 0.00 -1.26 -2.80 105.19 109.89 2grh n GLY 128 Ca -0.15 -1.68 0.19 0.00 0.00 0.00 0.00 46.02 44.38 2grh n GLY 128 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2grh h ASP 129 N 0.00 0.57 -0.63 1.61 5.19 -1.98 -0.89 116.42 120.30 2grh h ASP 129 Ca 0.00 0.10 0.12 0.00 -0.62 0.00 0.00 57.03 56.62 2grh h ASP 129 Cb 0.00 0.00 -0.09 0.00 0.18 0.00 0.00 39.33 39.43 2grh h ASP 129 CO 0.00 0.13 0.17 0.50 -3.12 0.00 0.00 179.24 176.92 2grh h LYS 130 N 0.52 0.30 -0.06 3.56 3.64 -1.99 0.17 116.57 122.71 2grh h LYS 130 Ca 0.60 -0.02 -0.24 0.00 -1.27 0.00 0.00 60.65 59.73 2grh h LYS 130 Cb 1.29 -0.07 0.01 0.00 -0.41 0.00 0.00 32.23 33.06 2grh h LYS 130 CO -0.36 0.20 -0.91 1.88 -2.27 0.00 0.00 179.45 177.99 2grh h TYR 131 N 0.30 0.91 -0.98 1.91 0.05 -1.51 -2.77 116.97 114.89 2grh h TYR 131 Ca 0.33 -0.46 0.00 0.00 0.05 0.00 0.00 58.73 58.66 2grh h TYR 131 Cb 0.49 -0.12 -0.05 0.00 1.01 0.00 0.00 36.73 38.06 2grh h TYR 131 CO -0.23 1.28 0.63 0.00 -1.05 0.00 0.00 178.16 178.79 2grh h ALA 132 N 0.58 1.26 -0.31 3.88 0.00 -0.75 -1.19 119.26 122.73 2grh h ALA 132 Ca -0.08 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 2grh h ALA 132 Cb 1.54 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2grh h ALA 132 CO 0.17 0.66 -0.24 -0.97 0.00 0.00 0.00 179.25 178.88 2grh h ASN 133 N 1.34 0.61 -0.36 0.00 -1.24 -0.67 -1.01 115.58 114.26 2grh h ASN 133 Ca 0.36 -0.21 -0.03 0.00 0.71 0.00 0.00 56.30 57.12 2grh h ASN 133 Cb -0.12 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 38.75 2grh h ASN 133 CO -0.07 0.84 0.10 0.00 -1.29 0.00 0.00 177.43 177.01 2grh h ALA 134 N 1.21 0.47 -0.02 1.57 0.00 -1.08 -2.41 119.26 118.99 2grh h ALA 134 Ca 0.08 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2grh h ALA 134 Cb 0.70 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2grh h ALA 134 CO 0.05 0.12 -0.27 -1.49 0.00 0.00 0.00 179.25 177.66 2grh h TRP 135 N 0.43 0.04 -0.17 0.00 4.06 -1.01 -2.09 115.95 117.20 2grh h TRP 135 Ca 0.11 -0.01 -0.07 0.00 2.06 0.00 0.00 58.89 60.99 2grh h TRP 135 Cb 0.27 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.41 2grh h TRP 135 CO 0.01 0.31 -0.19 0.00 -3.56 0.00 0.00 178.44 175.01 2grh h ALA 136 N 1.69 1.36 -0.06 1.49 0.00 -0.72 -1.00 119.26 122.02 2grh h ALA 136 Ca 0.00 -0.27 -0.13 0.00 0.00 0.00 0.00 54.91 54.52 2grh h ALA 136 Cb 0.51 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2grh h ALA 136 CO 0.04 0.44 -0.54 0.87 0.00 0.00 0.00 179.25 180.06 2grh h LYS 137 N 0.28 0.16 -0.13 0.00 1.57 -0.95 -0.34 116.57 117.15 2grh h LYS 137 Ca 0.05 -0.09 -0.12 0.00 -1.87 0.00 0.00 60.65 58.61 2grh h LYS 137 Cb 0.50 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2grh h LYS 137 CO 0.03 0.65 -0.39 1.25 -0.57 0.00 0.00 179.45 180.42 2grh h LEU 138 N 0.12 0.57 -1.49 2.94 5.85 -1.20 -2.94 115.31 119.17 2grh h LEU 138 Ca 0.00 -0.60 -0.01 0.00 0.84 0.00 0.00 57.88 58.12 2grh h LEU 138 Cb 0.99 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 2grh h LEU 138 CO 0.08 1.07 0.23 0.58 -0.34 0.00 0.00 178.44 180.05 2grh h VAL 139 N 0.11 1.13 0.00 1.05 2.07 -1.07 -1.42 116.25 118.12 2grh h VAL 139 Ca -0.01 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 2grh h VAL 139 Cb 1.01 0.57 -0.00 0.00 -1.52 0.00 0.00 31.29 31.35 2grh h VAL 139 CO 0.08 0.15 -0.06 0.00 0.02 0.00 0.00 177.57 177.76 2grh h ALA 140 N 1.67 1.58 -0.40 1.67 0.00 -0.88 -1.29 119.26 121.61 2grh h ALA 140 Ca 0.15 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.87 2grh h ALA 140 Cb 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2grh h ALA 140 CO -0.02 0.08 -0.27 0.28 0.00 0.00 0.00 179.25 179.31 2grh h VAL 141 N 0.00 1.28 -0.46 0.00 2.07 -1.17 -1.75 116.25 116.22 2grh h VAL 141 Ca -0.00 -1.43 -0.10 0.00 0.82 0.00 0.00 66.70 65.99 2grh h VAL 141 Cb 0.14 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 2grh h VAL 141 CO 0.01 0.48 -0.11 0.58 0.02 0.00 0.00 177.57 178.55 2grh h VAL 142 N 0.71 1.27 -0.86 2.57 2.07 -1.33 -2.90 116.25 117.78 2grh h VAL 142 Ca 0.08 -1.23 0.05 0.00 0.82 0.00 0.00 66.70 66.42 2grh h VAL 142 Cb 0.85 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.68 2grh h VAL 142 CO 0.07 0.42 0.56 1.56 0.02 0.00 0.00 177.57 180.21 2grh h GLN 143 N 0.73 0.99 0.00 1.57 4.20 -1.12 -0.54 115.11 120.94 2grh h GLN 143 Ca 0.12 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.76 2grh h GLN 143 Cb 0.66 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 2grh h GLN 143 CO 0.05 0.65 -0.01 0.00 -0.67 0.00 0.00 178.83 178.85 2grh h ALA 144 N 1.52 1.04 -0.02 3.87 0.00 -1.11 -2.00 119.26 122.56 2grh h ALA 144 Ca 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2grh h ALA 144 Cb 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2grh h ALA 144 CO -0.12 0.01 -0.07 0.00 0.00 0.00 0.00 179.25 179.07 2grh n ALA 145 N -2.11 2.67 1.23 0.00 0.00 -0.22 -4.41 120.51 117.67 2grh n ALA 145 Ca -0.02 -0.57 0.13 0.00 0.00 0.00 0.00 53.44 52.98 2grh n ALA 145 Cb 0.17 -0.96 0.29 0.00 0.00 0.00 0.00 19.45 18.95 2grh n ALA 145 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78