#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gli s LEU 2 N 0.00 4.09 0.75 -0.89 1.43 -1.26 -5.03 118.68 117.77 1gli s LEU 2 Ca 0.00 1.28 -0.11 0.00 -1.03 0.00 0.00 54.13 54.27 1gli s LEU 2 Cb 0.00 -3.43 0.04 0.00 0.03 0.00 0.00 46.19 42.83 1gli s LEU 2 CO 0.00 -0.62 1.08 -0.94 0.23 0.00 0.00 176.35 176.10 1gli s SER 3 N 1.24 4.86 0.35 2.29 1.04 -1.26 -4.85 113.70 117.38 1gli s SER 3 Ca 0.41 1.60 0.09 0.00 0.48 0.00 0.00 55.95 58.53 1gli s SER 3 Cb -0.15 -2.39 0.82 0.00 0.10 0.00 0.00 66.02 64.40 1gli s SER 3 CO 0.06 -1.77 1.86 -0.65 0.98 0.00 0.00 173.24 173.72 1gli h PRO 4 N -0.95 0.67 -0.58 4.02 0.11 -1.99 -0.02 132.00 133.27 1gli h PRO 4 Ca -0.45 -0.04 -0.10 0.00 0.11 0.00 0.00 66.00 65.52 1gli h PRO 4 Cb 1.23 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1gli h PRO 4 CO 0.56 0.45 -0.04 0.00 -0.21 0.00 0.00 178.00 178.76 1gli h ALA 5 N 1.60 0.84 -0.87 -0.75 0.00 -1.99 -0.79 119.26 117.29 1gli h ALA 5 Ca 0.46 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1gli h ALA 5 Cb 0.75 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.28 1gli h ALA 5 CO -0.22 0.67 0.49 -0.44 0.00 0.00 0.00 179.25 179.76 1gli h ASP 6 N 0.94 1.07 -0.25 0.00 3.32 -1.40 -0.71 116.42 119.40 1gli h ASP 6 Ca 0.16 -0.09 -0.12 0.00 0.02 0.00 0.00 57.03 57.01 1gli h ASP 6 Cb 0.59 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1gli h ASP 6 CO 0.04 0.85 -0.24 0.11 -1.72 0.00 0.00 179.24 178.27 1gli h LYS 7 N 1.20 0.73 -0.62 3.56 1.57 -0.75 -0.16 116.57 122.10 1gli h LYS 7 Ca 0.31 -0.30 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1gli h LYS 7 Cb -0.00 -0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.25 1gli h LYS 7 CO -0.05 0.90 0.17 1.15 -0.57 0.00 0.00 179.45 181.05 1gli h THR 8 N 0.63 1.25 -0.60 -0.16 2.02 -0.77 -0.98 112.91 114.30 1gli h THR 8 Ca 0.09 -0.88 -0.10 0.00 0.77 0.00 0.00 66.41 66.29 1gli h THR 8 Cb 0.75 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.78 1gli h THR 8 CO 0.06 0.33 0.00 0.78 0.37 0.00 0.00 175.52 177.06 1gli h ASN 9 N 0.89 1.04 -0.26 4.18 2.35 -0.59 -0.96 115.58 122.23 1gli h ASN 9 Ca 0.20 -0.29 -0.16 0.00 -0.55 0.00 0.00 56.30 55.50 1gli h ASN 9 Cb 0.32 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.41 1gli h ASN 9 CO -0.00 1.08 -0.45 0.58 -1.65 0.00 0.00 177.43 176.99 1gli h VAL 10 N 0.97 1.29 -0.28 2.81 2.07 -0.84 -1.64 116.25 120.64 1gli h VAL 10 Ca 0.17 -1.65 -0.07 0.00 0.82 0.00 0.00 66.70 65.97 1gli h VAL 10 Cb 0.55 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 32.00 1gli h VAL 10 CO 0.03 0.53 -0.15 0.11 0.02 0.00 0.00 177.57 178.11 1gli h LYS 11 N 0.52 0.48 -0.16 1.57 1.57 -1.05 -0.19 116.57 119.31 1gli h LYS 11 Ca 0.02 -0.14 -0.08 0.00 -1.87 0.00 0.00 60.65 58.58 1gli h LYS 11 Cb 1.06 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 33.32 1gli h LYS 11 CO 0.10 0.62 -0.19 0.00 -0.57 0.00 0.00 179.45 179.41 1gli h ALA 12 N 1.41 0.24 -0.38 3.86 0.00 -1.03 -1.07 119.26 122.28 1gli h ALA 12 Ca 0.08 -0.35 -0.11 0.00 0.00 0.00 0.00 54.91 54.53 1gli h ALA 12 Cb 0.52 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1gli h ALA 12 CO 0.03 0.17 -0.18 0.00 0.00 0.00 0.00 179.25 179.27 1gli h ALA 13 N 0.60 0.54 0.00 0.00 0.00 -1.10 -2.48 119.26 116.82 1gli h ALA 13 Ca 0.02 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.45 1gli h ALA 13 Cb 0.74 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1gli h ALA 13 CO 0.05 0.47 -0.59 2.35 0.00 0.00 0.00 179.25 181.53 1gli h TRP 14 N 0.60 0.00 -0.43 0.00 2.91 -1.07 -2.17 115.95 115.78 1gli h TRP 14 Ca 0.09 0.00 0.03 0.00 1.13 0.00 0.00 58.89 60.14 1gli h TRP 14 Cb 0.72 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 29.34 1gli h TRP 14 CO 0.06 0.59 0.23 0.78 -1.03 0.00 0.00 178.44 179.07 1gli h GLY 15 N 2.18 0.60 2.00 2.65 0.00 -0.94 -1.14 103.07 108.42 1gli h GLY 15 Ca -0.01 -0.17 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 1gli h GLY 15 CO 0.08 0.13 -0.14 1.70 0.00 0.00 0.00 176.54 178.30 1gli h LYS 16 N 0.47 0.00 -0.25 4.80 3.11 -0.99 -2.16 116.57 121.55 1gli h LYS 16 Ca 0.18 0.00 -0.08 0.00 -2.81 0.00 0.00 60.65 57.94 1gli h LYS 16 Cb 0.06 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 31.28 1gli h LYS 16 CO -0.11 0.14 -0.15 0.28 -2.81 0.00 0.00 179.45 176.80 1gli h VAL 17 N 0.00 1.31 0.00 2.00 2.07 -0.64 -3.45 116.25 117.54 1gli h VAL 17 Ca -0.00 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.26 1gli h VAL 17 Cb 0.60 1.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1gli h VAL 17 CO 0.02 0.39 0.00 0.61 0.02 0.00 0.00 177.57 178.61 1gli n GLY 18 N 0.03 1.88 0.01 2.17 0.00 -0.66 -1.48 105.19 107.14 1gli n GLY 18 Ca -0.04 0.51 0.14 0.00 0.00 0.00 0.00 46.02 46.63 1gli n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gli n ALA 19 N 8.82 2.65 1.19 4.61 0.00 -1.26 -3.03 120.51 133.49 1gli n ALA 19 Ca 0.00 -0.17 0.11 0.00 0.00 0.00 0.00 53.44 53.38 1gli n ALA 19 Cb 0.00 -1.38 0.38 0.00 0.00 0.00 0.00 19.45 18.44 1gli n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1gli n HIS 20 N -1.43 0.20 -0.27 0.00 8.25 -0.55 -4.41 115.22 117.01 1gli n HIS 20 Ca 0.08 -0.10 0.06 0.00 -0.26 0.00 0.00 57.72 57.50 1gli n HIS 20 Cb 0.32 0.00 0.20 0.00 1.12 0.00 0.00 29.99 31.63 1gli n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1gli h ALA 21 N 4.15 1.16 -0.57 -1.41 0.00 -1.67 0.19 119.26 121.10 1gli h ALA 21 Ca 0.00 0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.90 1gli h ALA 21 Cb 0.54 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1gli h ALA 21 CO 0.00 -0.13 -0.05 0.78 0.00 0.00 0.00 179.25 179.86 1gli h GLY 22 N 0.55 1.11 1.55 0.00 0.00 -1.85 -0.31 103.07 104.12 1gli h GLY 22 Ca 0.43 -0.84 -0.11 0.00 0.00 0.00 0.00 47.33 46.80 1gli h GLY 22 CO -0.37 0.77 -0.34 -2.09 0.00 0.00 0.00 176.54 174.52 1gli h GLU 23 N 0.93 0.51 -0.01 4.80 4.81 -1.40 -2.04 114.58 122.17 1gli h GLU 23 Ca 0.16 -0.23 -0.18 0.00 -0.13 0.00 0.00 59.36 58.98 1gli h GLU 23 Cb 0.60 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.95 1gli h GLU 23 CO 0.04 0.78 -0.81 1.88 -0.73 0.00 0.00 179.01 180.17 1gli h TYR 24 N 0.43 0.24 -0.63 0.92 0.05 -0.71 -2.23 116.97 115.04 1gli h TYR 24 Ca 0.05 -0.12 -0.04 0.00 0.05 0.00 0.00 58.73 58.67 1gli h TYR 24 Cb 0.80 -0.03 -0.03 0.00 1.01 0.00 0.00 36.73 38.48 1gli h TYR 24 CO 0.03 0.90 0.24 0.78 -1.05 0.00 0.00 178.16 179.06 1gli h GLY 25 N 1.87 1.03 1.33 3.88 0.00 -0.70 -0.80 103.07 109.68 1gli h GLY 25 Ca -0.03 -0.57 -0.14 0.00 0.00 0.00 0.00 47.33 46.59 1gli h GLY 25 CO 0.12 0.54 -0.36 0.00 0.00 0.00 0.00 176.54 176.83 1gli h ALA 26 N 1.09 0.76 -0.55 3.60 0.00 -1.26 -2.26 119.26 120.65 1gli h ALA 26 Ca 0.21 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.61 1gli h ALA 26 Cb 0.23 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 1gli h ALA 26 CO -0.01 0.66 0.03 1.49 0.00 0.00 0.00 179.25 181.42 1gli h GLU 27 N 0.61 0.94 -0.78 0.00 4.81 -1.11 -1.23 114.58 117.82 1gli h GLU 27 Ca 0.06 -0.28 -0.02 0.00 -0.13 0.00 0.00 59.36 58.98 1gli h GLU 27 Cb 0.90 -0.09 -0.04 0.00 0.63 0.00 0.00 28.75 30.15 1gli h GLU 27 CO 0.08 0.94 0.40 0.00 -0.73 0.00 0.00 179.01 179.70 1gli h ALA 28 N 0.97 1.23 -0.31 2.92 0.00 -0.99 0.31 119.26 123.39 1gli h ALA 28 Ca 0.16 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1gli h ALA 28 Cb 0.49 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1gli h ALA 28 CO 0.02 0.61 0.09 -0.07 0.00 0.00 0.00 179.25 179.90 1gli h LEU 29 N 1.10 0.45 -0.97 0.00 3.38 -0.99 -1.07 115.31 117.22 1gli h LEU 29 Ca 0.27 -0.21 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 1gli h LEU 29 Cb 0.07 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1gli h LEU 29 CO -0.04 0.54 0.21 -0.08 0.09 0.00 0.00 178.44 179.16 1gli h GLU 30 N 0.33 0.96 -0.81 1.13 4.81 -0.71 0.05 114.58 120.34 1gli h GLU 30 Ca 0.10 -0.18 -0.04 0.00 -0.13 0.00 0.00 59.36 59.10 1gli h GLU 30 Cb 0.26 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.45 1gli h GLU 30 CO -0.00 0.82 0.33 0.00 -0.73 0.00 0.00 179.01 179.43 1gli h ARG 31 N 0.93 1.20 -0.39 1.92 3.08 -0.70 -2.20 114.38 118.21 1gli h ARG 31 Ca 0.21 -0.21 -0.07 0.00 0.07 0.00 0.00 59.98 59.97 1gli h ARG 31 Cb 0.25 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1gli h ARG 31 CO -0.01 0.97 -0.03 1.98 -1.07 0.00 0.00 179.97 181.80 1gli h MET 32 N 1.17 0.72 -0.01 0.04 4.05 -0.10 -0.32 114.93 120.48 1gli h MET 32 Ca 0.27 -0.24 -0.08 0.00 -0.28 0.00 0.00 59.70 59.37 1gli h MET 32 Cb 0.21 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.94 1gli h MET 32 CO -0.02 0.83 -0.36 0.74 0.23 0.00 0.00 176.91 178.32 1gli h PHE 33 N 0.54 0.02 0.18 1.39 0.04 -0.80 0.40 116.94 118.70 1gli h PHE 33 Ca 0.11 -0.00 -0.34 0.00 2.80 0.00 0.00 57.97 60.54 1gli h PHE 33 Cb 0.52 -0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.68 1gli h PHE 33 CO 0.04 0.38 -1.62 -0.07 -0.60 0.00 0.00 178.31 176.43 1gli h LEU 34 N 0.02 0.61 0.06 1.54 3.38 -1.21 -3.30 115.31 116.39 1gli h LEU 34 Ca -0.00 -0.81 -0.26 0.00 0.09 0.00 0.00 57.88 56.89 1gli h LEU 34 Cb 0.64 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1gli h LEU 34 CO 0.05 1.67 -1.31 0.28 0.09 0.00 0.00 178.44 179.22 1gli h SER 35 N 0.11 0.20 -2.57 -0.43 0.02 -0.94 -3.40 113.55 106.53 1gli h SER 35 Ca -0.29 -0.25 -0.60 0.00 -0.84 0.00 0.00 61.79 59.81 1gli h SER 35 Cb 2.09 -0.06 -0.40 0.00 0.14 0.00 0.00 62.40 64.17 1gli h SER 35 CO 0.20 1.20 -0.82 0.49 -1.14 0.00 0.00 176.83 176.76 1gli n PHE 36 N -3.37 0.92 0.30 3.45 3.72 0.12 -4.98 117.46 117.62 1gli n PHE 36 Ca -0.09 -3.75 0.20 0.00 -0.05 0.00 0.00 57.45 53.77 1gli n PHE 36 Cb 1.00 -0.16 1.06 0.00 -0.94 0.00 0.00 39.48 40.44 1gli n PHE 36 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 1gli h PRO 37 N 5.29 0.00 0.00 -1.08 0.13 -1.74 -1.09 132.00 133.51 1gli h PRO 37 Ca 0.20 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.32 1gli h PRO 37 Cb 0.83 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.96 1gli h PRO 37 CO 0.53 0.00 -0.09 -1.49 -0.23 0.00 0.00 178.00 176.73 1gli h TRP 38 N 0.00 0.00 0.00 1.56 6.55 -1.91 -1.69 115.95 120.46 1gli h TRP 38 Ca 0.00 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.84 1gli h TRP 38 Cb 0.04 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.34 1gli h TRP 38 CO 0.00 0.09 0.00 1.79 -1.05 0.00 0.00 178.44 179.27 1gli h THR 39 N 0.00 0.00 0.00 1.49 1.35 -1.52 -2.57 112.91 111.66 1gli h THR 39 Ca -0.00 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.44 1gli h THR 39 Cb 0.37 1.32 0.00 0.00 -1.73 0.00 0.00 68.15 68.11 1gli h THR 39 CO 0.01 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.57 1gli n LYS 40 N -2.77 0.13 0.10 4.72 5.02 -0.63 -2.55 118.16 122.16 1gli n LYS 40 Ca 0.01 0.35 0.09 0.00 -2.02 0.00 0.00 58.31 56.75 1gli n LYS 40 Cb 0.28 -1.73 0.42 0.00 -0.02 0.00 0.00 35.03 33.98 1gli n LYS 40 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1gli n THR 41 N -1.97 1.04 1.07 -0.18 -2.24 -0.97 -1.38 114.28 109.64 1gli n THR 41 Ca 0.03 0.37 0.11 0.00 -2.27 0.00 0.00 64.05 62.29 1gli n THR 41 Cb 0.21 -1.28 0.12 0.00 -2.10 0.00 0.00 70.33 67.28 1gli n THR 41 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1gli n TYR 42 N -2.01 0.00 -2.60 4.78 4.01 -1.06 -4.40 117.16 115.89 1gli n TYR 42 Ca 0.01 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.52 1gli n TYR 42 Cb 0.15 -0.08 -0.00 0.00 -0.31 0.00 0.00 39.34 39.10 1gli n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1gli n PHE 43 N -0.86 2.97 0.38 -0.72 3.01 -0.48 -4.85 117.46 116.91 1gli n PHE 43 Ca 0.08 -3.20 0.14 0.00 1.01 0.00 0.00 57.45 55.47 1gli n PHE 43 Cb 0.38 -0.20 0.53 0.00 -0.01 0.00 0.00 39.48 40.18 1gli n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1gli h PRO 44 N 2.72 0.00 -0.27 -1.08 0.13 -1.77 -2.64 132.00 129.10 1gli h PRO 44 Ca 0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.33 1gli h PRO 44 Cb 0.91 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1gli h PRO 44 CO 0.77 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 176.15 1gli n HIS 45 N -2.50 0.34 -4.08 1.56 1.44 -1.26 -4.91 115.22 105.81 1gli n HIS 45 Ca 0.02 -0.17 -0.30 0.00 -2.01 0.00 0.00 57.72 55.26 1gli n HIS 45 Cb 0.27 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.31 1gli n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1gli s PHE 46 N -1.66 3.11 -0.45 -1.40 0.40 -1.00 -5.06 117.98 111.93 1gli s PHE 46 Ca 0.35 0.03 -0.28 0.00 -0.60 0.00 0.00 56.93 56.43 1gli s PHE 46 Cb 0.20 -1.58 0.03 0.00 0.51 0.00 0.00 43.02 42.18 1gli s PHE 46 CO 0.29 0.51 1.09 0.34 0.70 0.00 0.00 175.22 178.15 1gli s ASP 47 N -2.43 6.67 -0.22 1.36 2.15 -1.26 -4.90 116.67 118.03 1gli s ASP 47 Ca 0.28 0.52 0.14 0.00 0.43 0.00 0.00 52.55 53.92 1gli s ASP 47 Cb -0.12 -2.53 0.80 0.00 -0.30 0.00 0.00 42.92 40.77 1gli s ASP 47 CO 0.21 -1.15 1.72 0.18 -0.17 0.00 0.00 175.17 175.96 1gli n LEU 48 N 7.56 5.60 -4.82 -1.34 4.77 -1.26 -4.55 117.00 122.96 1gli n LEU 48 Ca 0.11 -2.84 -0.31 0.00 -0.03 0.00 0.00 56.01 52.94 1gli n LEU 48 Cb 0.49 -0.68 0.05 0.00 -2.33 0.00 0.00 43.42 40.95 1gli n LEU 48 CO 0.68 0.63 0.71 -0.94 -1.33 0.00 0.00 177.39 177.15 1gli s SER 49 N -0.77 5.39 0.09 -1.43 1.04 -1.26 -4.89 113.70 111.88 1gli s SER 49 Ca 0.53 1.61 -0.31 0.00 0.48 0.00 0.00 55.95 58.26 1gli s SER 49 Cb 0.40 -2.49 -0.10 0.00 0.10 0.00 0.00 66.02 63.93 1gli s SER 49 CO 0.16 -1.43 1.88 1.57 0.98 0.00 0.00 173.24 176.40 1gli n HIS 50 N -3.12 2.59 -0.06 5.02 -0.00 -1.26 -2.08 115.22 116.30 1gli n HIS 50 Ca 0.07 -0.22 0.00 0.00 0.46 0.00 0.00 57.72 58.03 1gli n HIS 50 Cb 0.54 -2.75 0.00 0.00 -0.12 0.00 0.00 29.99 27.65 1gli n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1gli n GLY 51 N 4.34 0.80 3.76 1.57 0.00 -1.26 -5.02 105.19 109.38 1gli n GLY 51 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 1gli n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1gli s SER 52 N -2.38 6.47 0.44 1.61 0.15 -0.88 -4.88 113.70 114.23 1gli s SER 52 Ca 0.00 2.87 0.10 0.00 0.70 0.00 0.00 55.95 59.63 1gli s SER 52 Cb 0.00 -2.64 0.98 0.00 -1.71 0.00 0.00 66.02 62.65 1gli s SER 52 CO 0.00 -0.82 2.06 0.00 1.20 0.00 0.00 173.24 175.68 1gli h ALA 53 N 4.41 1.84 -0.57 5.45 0.00 -1.91 -1.18 119.26 127.30 1gli h ALA 53 Ca -0.48 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 1gli h ALA 53 Cb 1.22 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 1gli h ALA 53 CO 0.75 0.12 0.08 1.96 0.00 0.00 0.00 179.25 182.16 1gli h GLN 54 N 0.42 0.94 -0.19 0.00 4.20 -1.90 0.81 115.11 119.40 1gli h GLN 54 Ca 0.15 -0.26 -0.21 0.00 0.06 0.00 0.00 58.65 58.39 1gli h GLN 54 Cb 0.09 -0.11 0.01 0.00 0.30 0.00 0.00 27.48 27.77 1gli h GLN 54 CO -0.03 0.91 -0.72 0.28 -0.67 0.00 0.00 178.83 178.59 1gli h VAL 55 N 0.84 1.28 -0.75 -0.54 2.07 -1.62 -1.10 116.25 116.41 1gli h VAL 55 Ca 0.17 -1.91 -0.04 0.00 0.82 0.00 0.00 66.70 65.74 1gli h VAL 55 Cb 0.43 1.90 -0.03 0.00 -1.52 0.00 0.00 31.29 32.06 1gli h VAL 55 CO 0.01 0.61 0.31 0.11 0.02 0.00 0.00 177.57 178.63 1gli h LYS 56 N 0.57 1.12 -0.45 1.57 1.57 -1.08 0.11 116.57 119.98 1gli h LYS 56 Ca -0.04 -0.19 -0.09 0.00 -1.87 0.00 0.00 60.65 58.46 1gli h LYS 56 Cb 1.34 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 1gli h LYS 56 CO 0.15 0.90 -0.08 0.78 -0.57 0.00 0.00 179.45 180.63 1gli h GLY 57 N 1.13 0.91 1.48 3.86 0.00 -0.71 -1.98 103.07 107.76 1gli h GLY 57 Ca 0.25 -0.73 -0.15 0.00 0.00 0.00 0.00 47.33 46.70 1gli h GLY 57 CO -0.02 0.67 -0.48 0.84 0.00 0.00 0.00 176.54 177.55 1gli h HIS 58 N 0.68 0.68 -0.88 5.60 -0.00 -0.84 -2.45 115.15 117.93 1gli h HIS 58 Ca 0.12 -0.22 -0.00 0.00 -0.00 0.00 0.00 60.37 60.27 1gli h HIS 58 Cb 0.61 -0.14 -0.04 0.00 -0.00 0.00 0.00 27.41 27.84 1gli h HIS 58 CO 0.05 0.93 0.55 0.78 -0.00 0.00 0.00 177.93 180.23 1gli h GLY 59 N 1.06 1.27 1.41 5.26 0.00 -0.52 -0.64 103.07 110.92 1gli h GLY 59 Ca 0.02 -0.51 -0.12 0.00 0.00 0.00 0.00 47.33 46.72 1gli h GLY 59 CO 0.09 0.50 -0.31 1.70 0.00 0.00 0.00 176.54 178.52 1gli h LYS 60 N 1.21 0.66 -0.49 4.80 3.64 -1.07 -0.73 116.57 124.60 1gli h LYS 60 Ca 0.32 -0.30 -0.12 0.00 -1.27 0.00 0.00 60.65 59.28 1gli h LYS 60 Cb -0.08 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 1gli h LYS 60 CO -0.06 0.89 -0.17 0.87 -2.27 0.00 0.00 179.45 178.71 1gli h LYS 61 N 0.56 0.95 -0.42 1.90 1.57 -0.84 -0.52 116.57 119.78 1gli h LYS 61 Ca 0.07 -0.37 -0.06 0.00 -1.87 0.00 0.00 60.65 58.41 1gli h LYS 61 Cb 0.81 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.05 1gli h LYS 61 CO 0.07 1.04 0.04 0.28 -0.57 0.00 0.00 179.45 180.30 1gli h VAL 62 N 0.84 1.25 -0.65 0.50 2.07 -0.89 -2.08 116.25 117.29 1gli h VAL 62 Ca 0.12 -0.95 -0.07 0.00 0.82 0.00 0.00 66.70 66.62 1gli h VAL 62 Cb 0.72 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.52 1gli h VAL 62 CO 0.06 0.33 0.11 0.00 0.02 0.00 0.00 177.57 178.08 1gli h ALA 63 N 0.91 0.97 -0.31 1.67 0.00 -1.00 -1.72 119.26 119.77 1gli h ALA 63 Ca 0.12 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.67 1gli h ALA 63 Cb 0.43 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1gli h ALA 63 CO 0.01 0.65 -0.22 -0.44 0.00 0.00 0.00 179.25 179.26 1gli h ASP 64 N 1.00 0.60 -0.43 0.00 3.32 -0.88 -0.03 116.42 120.00 1gli h ASP 64 Ca 0.20 -0.20 -0.08 0.00 0.02 0.00 0.00 57.03 56.97 1gli h ASP 64 Cb 0.42 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 1gli h ASP 64 CO 0.01 0.81 -0.01 0.00 -1.72 0.00 0.00 179.24 178.34 1gli h ALA 65 N 1.24 1.06 -0.24 3.45 0.00 -0.95 0.22 119.26 124.03 1gli h ALA 65 Ca 0.08 -0.27 -0.15 0.00 0.00 0.00 0.00 54.91 54.56 1gli h ALA 65 Cb 0.67 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1gli h ALA 65 CO 0.05 0.59 -0.47 -0.07 0.00 0.00 0.00 179.25 179.34 1gli h LEU 66 N 0.77 0.69 -0.74 0.00 3.38 -0.78 -0.19 115.31 118.44 1gli h LEU 66 Ca 0.15 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1gli h LEU 66 Cb 0.47 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.99 1gli h LEU 66 CO 0.02 1.05 0.47 0.74 0.09 0.00 0.00 178.44 180.81 1gli h THR 67 N 0.50 1.20 -0.82 0.22 2.02 -0.57 0.25 112.91 115.71 1gli h THR 67 Ca 0.03 -0.42 -0.03 0.00 0.77 0.00 0.00 66.41 66.76 1gli h THR 67 Cb 1.01 0.14 -0.04 0.00 -1.74 0.00 0.00 68.15 67.53 1gli h THR 67 CO 0.09 0.21 0.38 -1.13 0.37 0.00 0.00 175.52 175.44 1gli h ASN 68 N 1.01 1.09 -0.11 4.18 -1.24 -0.55 -1.75 115.58 118.20 1gli h ASN 68 Ca 0.27 -0.14 -0.13 0.00 0.71 0.00 0.00 56.30 57.01 1gli h ASN 68 Cb -0.07 -0.28 -0.01 0.00 0.73 0.00 0.00 38.32 38.69 1gli h ASN 68 CO -0.05 0.93 -0.36 0.00 -1.29 0.00 0.00 177.43 176.66 1gli h ALA 69 N 1.24 0.86 -0.49 1.57 0.00 -0.02 -2.19 119.26 120.22 1gli h ALA 69 Ca 0.28 -0.42 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 1gli h ALA 69 Cb 0.14 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1gli h ALA 69 CO -0.03 0.64 -0.12 0.28 0.00 0.00 0.00 179.25 180.01 1gli h VAL 70 N 0.52 1.27 0.00 0.00 2.07 -0.64 -1.69 116.25 117.77 1gli h VAL 70 Ca 0.05 -1.24 -0.04 0.00 0.82 0.00 0.00 66.70 66.28 1gli h VAL 70 Cb 0.86 1.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 1gli h VAL 70 CO 0.07 0.43 -0.21 0.00 0.02 0.00 0.00 177.57 177.89 1gli h ALA 71 N 1.03 1.34 -0.94 1.67 0.00 -1.02 -3.09 119.26 118.24 1gli h ALA 71 Ca 0.13 -0.19 -0.52 0.00 0.00 0.00 0.00 54.91 54.33 1gli h ALA 71 Cb 0.65 -0.03 -0.42 0.00 0.00 0.00 0.00 17.79 17.99 1gli h ALA 71 CO 0.05 0.26 -0.85 0.72 0.00 0.00 0.00 179.25 179.43 1gli n HIS 72 N -3.83 2.68 0.30 0.00 8.25 -0.85 -4.84 115.22 116.94 1gli n HIS 72 Ca -0.02 -2.49 0.18 0.00 -0.26 0.00 0.00 57.72 55.13 1gli n HIS 72 Cb 0.31 -0.26 0.89 0.00 1.12 0.00 0.00 29.99 32.05 1gli n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1gli h VAL 73 N 2.71 0.13 -0.00 1.59 3.04 -1.24 0.11 116.25 122.59 1gli h VAL 73 Ca 0.27 -0.34 0.00 0.00 -1.01 0.00 0.00 66.70 65.62 1gli h VAL 73 Cb 1.32 1.30 0.00 0.00 -2.01 0.00 0.00 31.29 31.89 1gli h VAL 73 CO 0.71 0.03 -0.09 0.47 -1.01 0.00 0.00 177.57 177.67 1gli n ASP 74 N -3.21 0.49 -2.75 3.17 8.00 -1.26 -4.11 116.55 116.88 1gli n ASP 74 Ca -0.01 -0.64 -0.01 0.00 0.71 0.00 0.00 54.79 54.83 1gli n ASP 74 Cb 0.21 -0.07 0.09 0.00 -0.02 0.00 0.00 41.12 41.33 1gli n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1gli n ASP 75 N -0.90 -0.04 -0.11 -2.24 2.03 0.28 -4.99 116.55 110.59 1gli n ASP 75 Ca 0.15 -2.13 -0.05 0.00 0.52 0.00 0.00 54.79 53.27 1gli n ASP 75 Cb 0.27 0.14 0.02 0.00 -0.72 0.00 0.00 41.12 40.83 1gli n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1gli h MET 76 N 1.78 0.21 -0.92 -0.67 2.86 -1.48 -2.41 114.93 114.29 1gli h MET 76 Ca -0.30 -0.01 0.22 0.00 -2.06 0.00 0.00 59.70 57.55 1gli h MET 76 Cb 1.28 -0.05 -0.12 0.00 0.06 0.00 0.00 31.60 32.78 1gli h MET 76 CO -0.01 0.14 0.45 -1.35 1.06 0.00 0.00 176.91 177.20 1gli h PRO 77 N 0.22 0.46 -0.06 -0.22 0.11 -1.94 -0.21 132.00 130.35 1gli h PRO 77 Ca 0.18 -0.03 -0.17 0.00 0.11 0.00 0.00 66.00 66.09 1gli h PRO 77 Cb 0.20 -0.10 0.01 0.00 0.11 0.00 0.00 31.00 31.21 1gli h PRO 77 CO -0.22 0.30 -0.61 -0.97 -0.21 0.00 0.00 178.00 176.29 1gli h ASN 78 N 0.47 0.64 -0.13 -2.05 -1.24 -1.92 -2.73 115.58 108.62 1gli h ASN 78 Ca 0.58 -0.69 -0.06 0.00 0.71 0.00 0.00 56.30 56.83 1gli h ASN 78 Cb 1.07 -0.19 -0.02 0.00 0.73 0.00 0.00 38.32 39.92 1gli h ASN 78 CO -0.50 1.24 -0.09 0.00 -1.29 0.00 0.00 177.43 176.79 1gli h ALA 79 N 0.42 1.33 -0.53 1.57 0.00 -0.81 -2.73 119.26 118.52 1gli h ALA 79 Ca -0.06 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.61 1gli h ALA 79 Cb 1.28 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1gli h ALA 79 CO 0.12 0.45 0.00 1.28 0.00 0.00 0.00 179.25 181.10 1gli n LEU 80 N -4.24 4.09 -0.20 0.00 4.77 -0.18 -4.68 117.00 116.55 1gli n LEU 80 Ca 0.01 -2.37 0.00 0.00 -0.03 0.00 0.00 56.01 53.62 1gli n LEU 80 Cb 0.29 -0.48 0.11 0.00 -2.33 0.00 0.00 43.42 41.01 1gli n LEU 80 CO 0.39 0.79 0.98 -1.28 -1.33 0.00 0.00 177.39 176.95 1gli h SER 81 N 3.26 0.21 -0.12 -1.43 0.87 -1.15 0.22 113.55 115.40 1gli h SER 81 Ca 0.00 0.08 -0.09 0.00 -1.23 0.00 0.00 61.79 60.55 1gli h SER 81 Cb 1.22 0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 63.23 1gli h SER 81 CO 0.15 0.13 -0.19 0.00 -0.53 0.00 0.00 176.83 176.39 1gli h ALA 82 N 1.42 1.14 -0.10 6.23 0.00 -1.83 -1.70 119.26 124.42 1gli h ALA 82 Ca 0.31 -0.31 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 1gli h ALA 82 Cb 0.38 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1gli h ALA 82 CO -0.31 0.54 -0.73 1.25 0.00 0.00 0.00 179.25 180.00 1gli h LEU 83 N 0.47 0.58 -0.81 0.00 5.85 -1.52 -1.45 115.31 118.42 1gli h LEU 83 Ca 0.08 -0.37 -0.12 0.00 0.84 0.00 0.00 57.88 58.30 1gli h LEU 83 Cb 0.59 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 1gli h LEU 83 CO 0.04 1.12 -0.43 0.77 -0.34 0.00 0.00 178.44 179.60 1gli h SER 84 N 0.34 0.38 -0.58 1.25 4.64 -0.68 -1.09 113.55 117.81 1gli h SER 84 Ca -0.03 -0.17 -0.06 0.00 -0.47 0.00 0.00 61.79 61.06 1gli h SER 84 Cb 1.31 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 1gli h SER 84 CO 0.13 0.76 0.12 0.44 -0.87 0.00 0.00 176.83 177.41 1gli h ASP 85 N 0.29 0.90 -0.43 4.97 3.32 -1.10 -0.99 116.42 123.38 1gli h ASP 85 Ca 0.02 -0.25 -0.05 0.00 0.02 0.00 0.00 57.03 56.77 1gli h ASP 85 Cb 0.88 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.17 1gli h ASP 85 CO 0.07 0.92 0.07 0.25 -1.72 0.00 0.00 179.24 178.83 1gli h LEU 86 N 0.84 0.68 -0.39 1.55 5.85 -0.90 -0.10 115.31 122.85 1gli h LEU 86 Ca 0.18 -0.26 -0.18 0.00 0.84 0.00 0.00 57.88 58.46 1gli h LEU 86 Cb 0.38 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 1gli h LEU 86 CO 0.01 0.77 -0.81 0.45 -0.34 0.00 0.00 178.44 178.52 1gli h HIS 87 N 0.57 0.16 0.02 1.25 3.86 -1.15 -1.65 115.15 118.21 1gli h HIS 87 Ca 0.13 -0.08 -0.23 0.00 -1.16 0.00 0.00 60.37 59.02 1gli h HIS 87 Cb 0.38 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.83 1gli h HIS 87 CO 0.03 0.87 -0.98 0.00 0.86 0.00 0.00 177.93 178.70 1gli h ALA 88 N 1.11 0.33 0.00 2.45 0.00 -0.88 0.14 119.26 122.41 1gli h ALA 88 Ca -0.02 -0.74 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1gli h ALA 88 Cb 1.41 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1gli h ALA 88 CO 0.12 0.84 -0.86 0.72 0.00 0.00 0.00 179.25 180.07 1gli n HIS 89 N -3.71 0.00 0.01 0.00 8.25 -0.08 -4.59 115.22 115.11 1gli n HIS 89 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 1gli n HIS 89 Cb 0.86 -0.09 0.00 0.00 1.12 0.00 0.00 29.99 31.88 1gli n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1gli n LYS 90 N -1.48 0.00 -0.08 -0.41 3.00 -0.86 -4.86 118.16 113.48 1gli n LYS 90 Ca 0.01 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 58.19 1gli n LYS 90 Cb 0.21 -0.14 -0.05 0.00 0.00 0.00 0.00 35.03 35.05 1gli n LYS 90 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.40 177.33 1gli h LEU 91 N 0.00 0.56 -2.14 3.14 3.38 -1.44 -3.48 115.31 115.33 1gli h LEU 91 Ca 0.00 -0.47 -0.45 0.00 0.09 0.00 0.00 57.88 57.06 1gli h LEU 91 Cb 0.00 -0.16 0.02 0.00 0.09 0.00 0.00 40.66 40.62 1gli h LEU 91 CO 0.00 0.91 -0.88 0.54 0.09 0.00 0.00 178.44 179.11 1gli n ARG 92 N -4.42 -3.46 -2.41 1.13 1.74 0.50 -4.94 116.66 104.80 1gli n ARG 92 Ca -0.05 0.51 -0.42 0.00 -0.77 0.00 0.00 57.85 57.12 1gli n ARG 92 Cb 0.41 -4.73 -0.03 0.00 -1.02 0.00 0.00 32.46 27.09 1gli n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1gli s VAL 93 N -3.73 4.00 0.28 1.55 1.01 -1.26 -4.97 120.40 117.28 1gli s VAL 93 Ca 0.11 1.43 -0.30 0.00 0.00 0.00 0.00 61.98 63.22 1gli s VAL 93 Cb -0.04 -3.92 -0.12 0.00 0.00 0.00 0.00 36.38 32.31 1gli s VAL 93 CO 0.85 0.11 1.63 -0.62 0.00 0.00 0.00 175.10 177.07 1gli s ASP 94 N 1.08 6.35 0.58 3.32 -1.08 -1.26 -4.84 116.67 120.81 1gli s ASP 94 Ca 0.59 2.96 0.29 0.00 -0.52 0.00 0.00 52.55 55.87 1gli s ASP 94 Cb -0.30 -2.63 1.45 0.00 -1.46 0.00 0.00 42.92 39.98 1gli s ASP 94 CO 0.29 -0.94 1.86 -0.65 0.52 0.00 0.00 175.17 176.25 1gli h PRO 95 N 5.22 0.00 0.00 4.34 0.11 -2.00 -1.50 132.00 138.17 1gli h PRO 95 Ca -0.46 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 1gli h PRO 95 Cb 1.22 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1gli h PRO 95 CO 0.83 0.00 -0.13 -0.24 -0.21 0.00 0.00 178.00 178.25 1gli h VAL 96 N 0.00 0.58 0.00 3.15 3.04 -2.03 -2.47 116.25 118.51 1gli h VAL 96 Ca 0.28 -0.58 -0.00 0.00 -1.01 0.00 0.00 66.70 65.39 1gli h VAL 96 Cb 1.41 1.37 -0.00 0.00 -2.01 0.00 0.00 31.29 32.06 1gli h VAL 96 CO -0.00 0.13 -0.01 0.78 -1.01 0.00 0.00 177.57 177.46 1gli h ASN 97 N 0.00 0.00 -0.17 3.17 2.35 -1.63 -2.88 115.58 116.43 1gli h ASN 97 Ca -0.00 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 1gli h ASN 97 Cb 0.36 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.72 1gli h ASN 97 CO 0.02 0.01 -0.16 -0.26 -1.65 0.00 0.00 177.43 175.39 1gli h PHE 98 N 0.00 0.62 -0.79 1.19 -1.00 -1.62 -1.76 116.94 113.56 1gli h PHE 98 Ca -0.00 -0.11 -0.02 0.00 2.81 0.00 0.00 57.97 60.66 1gli h PHE 98 Cb 0.66 -0.16 -0.04 0.00 3.61 0.00 0.00 35.95 40.02 1gli h PHE 98 CO 0.00 0.69 0.43 0.87 -1.61 0.00 0.00 178.31 178.70 1gli h LYS 99 N 0.51 1.10 -0.20 1.51 1.57 -1.66 -0.77 116.57 118.64 1gli h LYS 99 Ca 0.09 -0.12 -0.16 0.00 -1.87 0.00 0.00 60.65 58.59 1gli h LYS 99 Cb 0.57 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1gli h LYS 99 CO 0.04 0.81 -0.50 -0.07 -0.57 0.00 0.00 179.45 179.16 1gli h LEU 100 N 1.11 0.78 -0.66 2.94 3.38 -1.41 -1.17 115.31 120.28 1gli h LEU 100 Ca 0.28 -0.57 -0.12 0.00 0.09 0.00 0.00 57.88 57.56 1gli h LEU 100 Cb 0.03 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1gli h LEU 100 CO -0.05 1.21 -0.28 0.25 0.09 0.00 0.00 178.44 179.66 1gli h LEU 101 N 0.38 0.77 -0.64 1.67 5.85 -1.25 -2.24 115.31 119.84 1gli h LEU 101 Ca -0.01 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.41 1gli h LEU 101 Cb 1.11 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 1gli h LEU 101 CO 0.11 1.00 0.37 0.28 -0.34 0.00 0.00 178.44 179.86 1gli h SER 102 N 0.64 0.79 -0.71 1.25 0.02 -0.93 0.10 113.55 114.71 1gli h SER 102 Ca 0.08 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 1gli h SER 102 Cb 0.80 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 63.11 1gli h SER 102 CO 0.07 0.64 0.32 -0.74 -1.14 0.00 0.00 176.83 175.97 1gli h HIS 103 N 0.87 1.04 0.00 3.45 -0.00 -1.06 -1.51 115.15 117.94 1gli h HIS 103 Ca 0.23 -0.06 -0.08 0.00 -0.00 0.00 0.00 60.37 60.45 1gli h HIS 103 Cb 0.02 -0.32 -0.01 0.00 -0.00 0.00 0.00 27.41 27.10 1gli h HIS 103 CO -0.01 0.79 -0.40 0.00 -0.00 0.00 0.00 177.93 178.30 1gli h LEU 105 N 0.00 0.97 -0.52 0.00 5.85 -0.63 -1.40 115.31 119.59 1gli h LEU 105 Ca -0.00 -0.52 -0.03 0.00 0.84 0.00 0.00 57.88 58.16 1gli h LEU 105 Cb 0.90 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 1gli h LEU 105 CO 0.05 1.30 0.20 0.25 -0.34 0.00 0.00 178.44 179.90 1gli h LEU 106 N 0.67 0.72 -0.81 2.25 5.85 -0.76 -0.35 115.31 122.88 1gli h LEU 106 Ca 0.02 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.52 1gli h LEU 106 Cb 1.11 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.92 1gli h LEU 106 CO 0.11 0.70 0.31 0.58 -0.34 0.00 0.00 178.44 179.81 1gli h VAL 107 N 0.70 1.26 -0.47 1.05 2.07 -1.08 -0.46 116.25 119.32 1gli h VAL 107 Ca 0.17 -0.84 -0.06 0.00 0.82 0.00 0.00 66.70 66.79 1gli h VAL 107 Cb 0.22 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.29 1gli h VAL 107 CO -0.01 0.34 0.05 0.74 0.02 0.00 0.00 177.57 178.71 1gli h THR 108 N 1.16 1.25 -0.65 2.57 2.02 -0.72 -1.28 112.91 117.26 1gli h THR 108 Ca 0.26 -0.96 -0.06 0.00 0.77 0.00 0.00 66.41 66.43 1gli h THR 108 Cb 0.23 0.96 -0.03 0.00 -1.74 0.00 0.00 68.15 67.57 1gli h THR 108 CO -0.02 0.34 0.19 -0.07 0.37 0.00 0.00 175.52 176.33 1gli h LEU 109 N 0.66 0.96 -1.06 2.58 4.07 -0.77 -2.50 115.31 119.25 1gli h LEU 109 Ca 0.14 -0.21 -0.01 0.00 0.08 0.00 0.00 57.88 57.88 1gli h LEU 109 Cb 0.43 -0.25 -0.04 0.00 1.08 0.00 0.00 40.66 41.87 1gli h LEU 109 CO 0.01 0.92 0.48 0.00 -1.08 0.00 0.00 178.44 178.78 1gli h ALA 110 N 1.08 1.29 0.00 1.53 0.00 -0.73 0.18 119.26 122.60 1gli h ALA 110 Ca 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.02 1gli h ALA 110 Cb 0.31 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1gli h ALA 110 CO -0.00 0.59 0.00 0.00 0.00 0.00 0.00 179.25 179.84 1gli h ALA 111 N 1.39 1.00 0.00 0.00 0.00 -0.82 -3.28 119.26 117.55 1gli h ALA 111 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1gli h ALA 111 Cb -0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1gli h ALA 111 CO -0.05 0.00 -0.41 0.72 0.00 0.00 0.00 179.25 179.51 1gli n HIS 112 N -2.42 0.00 -3.34 0.00 -0.00 -0.78 -4.78 115.22 103.91 1gli n HIS 112 Ca 0.04 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.49 1gli n HIS 112 Cb 0.36 -0.02 -0.07 0.00 -0.00 0.00 0.00 29.99 30.26 1gli n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1gli n LEU 113 N -1.21 3.62 -0.28 2.41 4.77 0.55 -4.92 117.00 121.93 1gli n LEU 113 Ca 0.00 -5.43 0.02 0.00 -0.03 0.00 0.00 56.01 50.57 1gli n LEU 113 Cb 0.04 -0.56 0.16 0.00 -2.33 0.00 0.00 43.42 40.73 1gli n LEU 113 CO 0.05 2.11 1.13 1.55 -1.33 0.00 0.00 177.39 180.89 1gli h PRO 114 N 3.98 0.75 0.00 3.23 0.13 -1.84 -2.20 132.00 136.06 1gli h PRO 114 Ca 0.18 -0.05 -0.03 0.00 -0.87 0.00 0.00 66.00 65.24 1gli h PRO 114 Cb 0.65 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 31.61 1gli h PRO 114 CO 0.81 0.50 -0.32 0.00 -0.23 0.00 0.00 178.00 178.75 1gli h ALA 115 N 1.44 0.84 0.00 -0.56 0.00 -1.94 -3.35 119.26 115.69 1gli h ALA 115 Ca 0.38 -0.11 -0.21 0.00 0.00 0.00 0.00 54.91 54.97 1gli h ALA 115 Cb 0.33 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1gli h ALA 115 CO -0.24 0.15 -1.89 0.39 0.00 0.00 0.00 179.25 177.66 1gli n GLU 116 N -3.04 0.65 -1.98 0.00 4.71 -0.88 -4.57 120.64 115.53 1gli n GLU 116 Ca 0.02 0.06 -0.41 0.00 -0.01 0.00 0.00 57.16 56.82 1gli n GLU 116 Cb 0.58 -1.65 -0.00 0.00 -1.01 0.00 0.00 31.44 29.36 1gli n GLU 116 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1gli n PHE 117 N -2.71 2.80 -1.75 -0.32 7.35 -0.89 -4.75 117.46 117.18 1gli n PHE 117 Ca -0.17 -2.87 -0.30 0.00 -0.76 0.00 0.00 57.45 53.35 1gli n PHE 117 Cb 0.90 -2.06 0.06 0.00 0.35 0.00 0.00 39.48 38.73 1gli n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1gli s THR 118 N 0.43 3.50 0.25 -2.13 -4.23 -1.26 -4.79 115.64 107.42 1gli s THR 118 Ca 0.50 0.49 -0.03 0.00 -1.18 0.00 0.00 61.69 61.47 1gli s THR 118 Cb 0.15 -3.38 0.24 0.00 1.34 0.00 0.00 72.50 70.85 1gli s THR 118 CO -0.05 -0.64 1.70 -0.65 -0.54 0.00 0.00 174.62 174.44 1gli h PRO 119 N -0.77 0.33 -0.18 3.99 0.11 -1.99 0.13 132.00 133.62 1gli h PRO 119 Ca -0.45 -0.02 -0.13 0.00 0.11 0.00 0.00 66.00 65.51 1gli h PRO 119 Cb 1.25 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1gli h PRO 119 CO 0.62 0.22 -0.43 0.00 -0.21 0.00 0.00 178.00 178.19 1gli h ALA 120 N 1.61 0.92 -0.06 -0.75 0.00 -1.96 -1.47 119.26 117.55 1gli h ALA 120 Ca 0.44 -0.45 -0.23 0.00 0.00 0.00 0.00 54.91 54.68 1gli h ALA 120 Cb 0.75 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.45 1gli h ALA 120 CO -0.49 0.64 -0.88 0.28 0.00 0.00 0.00 179.25 178.80 1gli h VAL 121 N 0.36 1.33 -0.55 0.00 2.07 -1.65 -1.86 116.25 115.95 1gli h VAL 121 Ca 0.03 -2.20 0.05 0.00 0.82 0.00 0.00 66.70 65.40 1gli h VAL 121 Cb 0.91 2.22 -0.05 0.00 -1.52 0.00 0.00 31.29 32.85 1gli h VAL 121 CO 0.08 0.68 0.28 -0.74 0.02 0.00 0.00 177.57 177.88 1gli h HIS 122 N 0.37 0.50 -0.49 1.57 6.17 -0.60 0.17 115.15 122.84 1gli h HIS 122 Ca -0.08 0.02 -0.05 0.00 0.71 0.00 0.00 60.37 60.98 1gli h HIS 122 Cb 1.51 -0.14 -0.02 0.00 2.52 0.00 0.00 27.41 31.27 1gli h HIS 122 CO 0.08 0.23 0.12 0.00 0.71 0.00 0.00 177.93 179.07 1gli h ALA 123 N 1.31 0.65 -0.59 5.26 0.00 -1.11 -1.35 119.26 123.43 1gli h ALA 123 Ca 0.25 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1gli h ALA 123 Cb 0.17 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1gli h ALA 123 CO -0.18 0.34 -0.00 0.77 0.00 0.00 0.00 179.25 180.18 1gli h SER 124 N 0.68 1.01 -0.29 0.00 0.02 -0.71 -1.91 113.55 112.34 1gli h SER 124 Ca 0.16 -0.28 -0.12 0.00 -0.84 0.00 0.00 61.79 60.70 1gli h SER 124 Cb 0.33 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 1gli h SER 124 CO 0.00 1.06 -0.23 -0.07 -1.14 0.00 0.00 176.83 176.45 1gli h LEU 125 N 0.94 0.80 -0.73 5.07 3.38 -0.44 -0.22 115.31 124.11 1gli h LEU 125 Ca 0.17 -0.29 -0.11 0.00 0.09 0.00 0.00 57.88 57.74 1gli h LEU 125 Cb 0.55 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 1gli h LEU 125 CO 0.03 1.00 -0.20 -0.78 0.09 0.00 0.00 178.44 178.58 1gli h ASP 126 N 0.68 0.77 -0.54 -0.43 3.58 -1.00 -0.26 116.42 119.21 1gli h ASP 126 Ca 0.09 -0.27 -0.10 0.00 0.42 0.00 0.00 57.03 57.18 1gli h ASP 126 Cb 0.75 -0.21 -0.02 0.00 1.72 0.00 0.00 39.33 41.57 1gli h ASP 126 CO 0.06 0.96 -0.04 0.11 -2.88 0.00 0.00 179.24 177.45 1gli h LYS 127 N 0.67 0.97 -0.42 0.28 1.57 -1.09 -1.68 116.57 116.88 1gli h LYS 127 Ca 0.10 -0.33 -0.07 0.00 -1.87 0.00 0.00 60.65 58.48 1gli h LYS 127 Cb 0.70 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.92 1gli h LYS 127 CO 0.05 1.00 -0.00 0.35 -0.57 0.00 0.00 179.45 180.28 1gli h PHE 128 N 0.85 0.80 -0.06 -1.35 3.57 -0.57 -1.34 116.94 118.85 1gli h PHE 128 Ca 0.15 -0.14 -0.09 0.00 3.53 0.00 0.00 57.97 61.42 1gli h PHE 128 Cb 0.59 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 1gli h PHE 128 CO 0.04 0.81 -0.38 -0.07 -2.23 0.00 0.00 178.31 176.48 1gli h LEU 129 N 0.57 0.12 -0.75 0.59 3.38 -0.92 -0.71 115.31 117.60 1gli h LEU 129 Ca 0.12 -0.05 -0.12 0.00 0.09 0.00 0.00 57.88 57.92 1gli h LEU 129 Cb 0.49 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 1gli h LEU 129 CO 0.02 0.50 -0.30 0.00 0.09 0.00 0.00 178.44 178.75 1gli h ALA 130 N 1.51 0.92 -0.38 1.53 0.00 -1.03 -0.83 119.26 120.99 1gli h ALA 130 Ca 0.01 -0.39 -0.16 0.00 0.00 0.00 0.00 54.91 54.37 1gli h ALA 130 Cb 0.72 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1gli h ALA 130 CO 0.05 0.62 -0.40 0.77 0.00 0.00 0.00 179.25 180.29 1gli h SER 131 N 0.53 1.01 -0.63 0.00 0.02 -0.37 -0.56 113.55 113.55 1gli h SER 131 Ca 0.07 -0.47 -0.03 0.00 -0.84 0.00 0.00 61.79 60.52 1gli h SER 131 Cb 0.78 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 63.01 1gli h SER 131 CO 0.06 1.27 0.27 0.58 -1.14 0.00 0.00 176.83 177.88 1gli h VAL 132 N 0.76 1.23 -0.80 2.27 2.07 -0.99 -1.22 116.25 119.56 1gli h VAL 132 Ca 0.06 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 1gli h VAL 132 Cb 1.00 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 1gli h VAL 132 CO 0.10 0.27 0.39 0.28 0.02 0.00 0.00 177.57 178.63 1gli h SER 133 N 0.87 1.03 -0.57 0.57 0.02 -0.92 -0.22 113.55 114.33 1gli h SER 133 Ca 0.21 -0.12 -0.07 0.00 -0.84 0.00 0.00 61.79 60.97 1gli h SER 133 Cb 0.17 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.43 1gli h SER 133 CO -0.02 0.87 0.07 0.74 -1.14 0.00 0.00 176.83 177.34 1gli h THR 134 N 1.14 1.26 -0.44 -2.27 2.02 -0.67 -2.04 112.91 111.90 1gli h THR 134 Ca 0.28 -1.02 -0.11 0.00 0.77 0.00 0.00 66.41 66.32 1gli h THR 134 Cb 0.10 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1gli h THR 134 CO -0.04 0.37 -0.15 0.58 0.37 0.00 0.00 175.52 176.66 1gli h VAL 135 N 0.86 1.27 0.00 3.16 2.07 -0.67 -2.14 116.25 120.80 1gli h VAL 135 Ca 0.17 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 66.41 1gli h VAL 135 Cb 0.46 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1gli h VAL 135 CO 0.02 0.44 0.00 -0.07 0.02 0.00 0.00 177.57 177.97 1gli h LEU 136 N 0.72 0.00 -2.33 2.57 3.38 -0.82 -2.35 115.31 116.48 1gli h LEU 136 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1gli h LEU 136 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1gli h LEU 136 CO 0.05 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.93 1gli n THR 137 N -2.60 0.59 -0.03 0.22 -2.24 -0.79 -4.58 114.28 104.86 1gli n THR 137 Ca 0.02 -0.80 0.13 0.00 -2.27 0.00 0.00 64.05 61.13 1gli n THR 137 Cb 0.27 0.83 0.54 0.00 -2.10 0.00 0.00 70.33 69.88 1gli n THR 137 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1gli h SER 138 N 2.78 0.27 -0.24 3.42 0.02 -0.82 -2.92 113.55 116.06 1gli h SER 138 Ca 0.00 0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1gli h SER 138 Cb 0.73 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.22 1gli h SER 138 CO 0.00 0.16 0.00 0.29 -1.14 0.00 0.00 176.83 176.14 1gli n LYS 139 N -4.46 2.76 0.20 3.45 5.02 -1.26 -4.59 118.16 119.28 1gli n LYS 139 Ca 0.08 -2.79 0.04 0.00 -2.02 0.00 0.00 58.31 53.62 1gli n LYS 139 Cb 0.37 -1.79 0.41 0.00 -0.02 0.00 0.00 35.03 34.01 1gli n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1gli h TYR 140 N 1.62 0.00 0.00 2.13 -1.99 -1.84 -3.47 116.97 113.43 1gli h TYR 140 Ca 0.00 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.73 1gli h TYR 140 Cb 1.37 0.00 0.00 0.00 2.00 0.00 0.00 36.73 40.10 1gli h TYR 140 CO 0.44 0.30 0.00 2.89 -0.00 0.00 0.00 178.16 181.79