#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dhr s TRP 3 N 0.00 3.08 0.38 4.41 0.52 -1.26 -5.12 118.94 120.95 3dhr s TRP 3 Ca 0.00 0.12 0.08 0.00 0.02 0.00 0.00 56.10 56.32 3dhr s TRP 3 Cb 0.00 -1.74 -0.03 0.00 -1.15 0.00 0.00 33.47 30.55 3dhr s TRP 3 CO 0.00 0.44 0.26 -1.54 0.02 0.00 0.00 176.95 176.13 3dhr s SER 4 N -1.05 4.90 0.00 2.95 1.04 -1.26 -4.94 113.70 115.33 3dhr s SER 4 Ca 0.15 -0.75 0.24 0.00 0.48 0.00 0.00 55.95 56.07 3dhr s SER 4 Cb -0.11 -0.69 0.31 0.00 0.10 0.00 0.00 66.02 65.63 3dhr s SER 4 CO 0.04 -0.47 1.28 0.00 0.98 0.00 0.00 173.24 175.07 3dhr n ALA 5 N -1.35 3.79 -0.06 5.32 0.00 -1.26 -0.46 120.51 126.49 3dhr n ALA 5 Ca -0.00 -0.45 -0.15 0.00 0.00 0.00 0.00 53.44 52.84 3dhr n ALA 5 Cb 0.62 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.00 3dhr n ALA 5 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3dhr h GLU 6 N 0.42 0.61 -0.32 0.00 4.81 -2.00 -1.19 114.58 116.91 3dhr h GLU 6 Ca 0.00 -0.40 -0.10 0.00 -0.13 0.00 0.00 59.36 58.73 3dhr h GLU 6 Cb 0.52 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 3dhr h GLU 6 CO 0.00 1.01 -0.19 0.93 -0.73 0.00 0.00 179.01 180.03 3dhr h GLU 7 N 0.29 0.70 -0.66 1.92 5.08 -1.70 -2.92 114.58 117.30 3dhr h GLU 7 Ca 0.01 -0.32 0.04 0.00 -1.00 0.00 0.00 59.36 58.09 3dhr h GLU 7 Cb 0.99 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 30.19 3dhr h GLU 7 CO 0.09 0.93 0.44 0.87 -1.00 0.00 0.00 179.01 180.33 3dhr h LYS 8 N 0.47 0.72 -0.22 2.33 1.57 -0.68 -2.13 116.57 118.63 3dhr h LYS 8 Ca 0.07 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.65 3dhr h LYS 8 Cb 0.73 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.88 3dhr h LYS 8 CO 0.05 0.48 -0.48 0.37 -0.57 0.00 0.00 179.45 179.31 3dhr h GLN 9 N 0.74 0.71 -0.34 3.15 5.75 -1.17 -1.58 115.11 122.38 3dhr h GLN 9 Ca 0.27 -0.47 -0.09 0.00 -0.15 0.00 0.00 58.65 58.21 3dhr h GLN 9 Cb 0.15 0.06 -0.02 0.00 1.07 0.00 0.00 27.48 28.75 3dhr h GLN 9 CO -0.08 1.09 -0.16 -0.07 -2.65 0.00 0.00 178.83 176.96 3dhr h LEU 10 N 0.43 0.60 -0.02 -2.39 3.38 -1.30 -0.75 115.31 115.26 3dhr h LEU 10 Ca 0.00 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 3dhr h LEU 10 Cb 1.08 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3dhr h LEU 10 CO 0.11 0.78 -0.05 0.40 0.09 0.00 0.00 178.44 179.76 3dhr h ILE 11 N 0.55 1.49 -0.61 1.22 2.04 -1.40 -3.09 117.51 117.71 3dhr h ILE 11 Ca 0.09 -1.50 -0.03 0.00 1.00 0.00 0.00 64.86 64.42 3dhr h ILE 11 Cb 0.59 2.46 -0.03 0.00 -0.74 0.00 0.00 36.82 39.10 3dhr h ILE 11 CO 0.04 0.40 0.26 0.74 0.00 0.00 0.00 178.15 179.59 3dhr h THR 12 N -0.54 1.22 -0.51 -0.27 2.02 -1.25 -1.31 112.91 112.27 3dhr h THR 12 Ca -0.00 -0.67 -0.07 0.00 0.77 0.00 0.00 66.41 66.43 3dhr h THR 12 Cb 0.68 0.54 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 3dhr h THR 12 CO 0.01 0.27 0.03 0.77 0.37 0.00 0.00 175.52 176.97 3dhr h SER 13 N 0.84 0.86 0.03 4.18 4.64 -1.25 -2.07 113.55 120.77 3dhr h SER 13 Ca 0.20 -0.29 -0.00 0.00 -0.47 0.00 0.00 61.79 61.23 3dhr h SER 13 Cb 0.17 -0.23 0.00 0.00 -0.31 0.00 0.00 62.40 62.03 3dhr h SER 13 CO -0.02 0.94 -0.01 0.40 -0.87 0.00 0.00 176.83 177.26 3dhr h ILE 14 N 0.75 1.19 -0.48 0.95 1.08 -1.49 -3.27 117.51 116.25 3dhr h ILE 14 Ca 0.15 -0.69 0.03 0.00 -0.39 0.00 0.00 64.86 63.97 3dhr h ILE 14 Cb 0.48 1.65 -0.03 0.00 -3.07 0.00 0.00 36.82 35.85 3dhr h ILE 14 CO 0.02 0.18 0.32 -0.25 -0.69 0.00 0.00 178.15 177.72 3dhr h TRP 15 N -0.33 0.51 0.00 1.37 2.91 -1.16 -0.92 115.95 118.32 3dhr h TRP 15 Ca -0.00 0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.03 3dhr h TRP 15 Cb 0.31 -0.17 0.00 0.00 -0.51 0.00 0.00 29.16 28.79 3dhr h TRP 15 CO 0.03 0.30 0.00 0.41 -1.03 0.00 0.00 178.44 178.15 3dhr n GLY 16 N -1.48 -0.83 0.28 2.65 0.00 -0.79 -2.04 105.19 102.98 3dhr n GLY 16 Ca 0.05 0.06 0.05 0.00 0.00 0.00 0.00 46.02 46.18 3dhr n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dhr n LYS 17 N -1.84 1.42 -2.95 1.61 5.02 -0.36 -5.00 118.16 116.05 3dhr n LYS 17 Ca 0.01 -0.78 -0.42 0.00 -2.02 0.00 0.00 58.31 55.10 3dhr n LYS 17 Cb 0.08 -1.11 -0.05 0.00 -0.02 0.00 0.00 35.03 33.93 3dhr n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3dhr s VAL 18 N -1.10 4.81 -0.56 -0.18 1.01 -0.87 -5.00 120.40 118.51 3dhr s VAL 18 Ca 0.09 1.20 -0.28 0.00 0.00 0.00 0.00 61.98 63.00 3dhr s VAL 18 Cb 0.08 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.33 3dhr s VAL 18 CO 0.19 -0.21 1.56 0.21 0.00 0.00 0.00 175.10 176.85 3dhr s ASN 19 N 1.59 5.89 0.53 3.32 2.47 -1.26 -4.89 114.94 122.58 3dhr s ASN 19 Ca 0.32 0.38 0.20 0.00 0.42 0.00 0.00 52.86 54.18 3dhr s ASN 19 Cb -0.14 -2.54 1.33 0.00 -1.45 0.00 0.00 41.25 38.45 3dhr s ASN 19 CO 0.12 -1.88 2.09 -0.37 -3.72 0.00 0.00 177.10 173.33 3dhr h VAL 20 N 6.53 0.88 0.06 -5.21 -1.51 -1.95 -1.34 116.25 113.72 3dhr h VAL 20 Ca -0.27 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.19 3dhr h VAL 20 Cb 1.12 0.89 0.00 0.00 -2.13 0.00 0.00 31.29 31.17 3dhr h VAL 20 CO 1.18 0.00 -0.03 0.00 -1.23 0.00 0.00 177.57 177.49 3dhr h ALA 21 N 1.89 -0.08 -0.04 5.19 0.00 -1.90 -2.50 119.26 121.83 3dhr h ALA 21 Ca 0.10 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3dhr h ALA 21 Cb 0.41 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3dhr h ALA 21 CO -0.00 -0.24 -0.07 0.22 0.00 0.00 0.00 179.25 179.16 3dhr h ASP 22 N -0.69 0.12 0.31 0.00 3.58 -1.89 -2.10 116.42 115.75 3dhr h ASP 22 Ca -0.01 -0.57 -0.09 0.00 0.42 0.00 0.00 57.03 56.79 3dhr h ASP 22 Cb 0.58 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.58 3dhr h ASP 22 CO 0.01 0.67 -0.37 0.00 -2.88 0.00 0.00 179.24 176.67 3dhr h GLY 24 N 1.14 0.44 1.00 0.00 0.00 -1.49 -1.37 103.07 102.80 3dhr h GLY 24 Ca 0.01 -0.43 0.00 0.00 0.00 0.00 0.00 47.33 46.91 3dhr h GLY 24 CO 0.05 0.39 0.28 0.00 0.00 0.00 0.00 176.54 177.26 3dhr h ALA 25 N 0.64 0.54 -0.74 3.60 0.00 -1.17 -2.42 119.26 119.72 3dhr h ALA 25 Ca 0.03 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3dhr h ALA 25 Cb 0.66 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3dhr h ALA 25 CO 0.04 0.00 0.25 1.49 0.00 0.00 0.00 179.25 181.02 3dhr h GLU 26 N 0.58 1.14 0.41 0.00 4.81 -1.21 -2.15 114.58 118.16 3dhr h GLU 26 Ca 0.16 -0.23 -0.01 0.00 -0.13 0.00 0.00 59.36 59.14 3dhr h GLU 26 Cb -0.06 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.14 3dhr h GLU 26 CO -0.03 0.96 -0.26 0.00 -0.73 0.00 0.00 179.01 178.95 3dhr h ALA 27 N 1.16 -0.64 -0.42 2.92 0.00 -1.00 -2.00 119.26 119.28 3dhr h ALA 27 Ca 0.24 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 3dhr h ALA 27 Cb 0.28 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3dhr h ALA 27 CO -0.01 -0.87 -0.21 1.25 0.00 0.00 0.00 179.25 179.40 3dhr h LEU 28 N -0.64 0.86 -0.03 0.00 5.85 -1.44 -2.30 115.31 117.62 3dhr h LEU 28 Ca -0.04 -0.31 0.01 0.00 0.84 0.00 0.00 57.88 58.38 3dhr h LEU 28 Cb 0.53 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 3dhr h LEU 28 CO 0.04 1.05 -0.06 0.00 -0.34 0.00 0.00 178.44 179.14 3dhr h ALA 29 N 1.01 -0.04 -0.97 1.25 0.00 -1.36 -1.91 119.26 117.26 3dhr h ALA 29 Ca 0.10 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.03 3dhr h ALA 29 Cb 0.75 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 3dhr h ALA 29 CO 0.06 -0.54 0.62 0.00 0.00 0.00 0.00 179.25 179.39 3dhr h ARG 30 N -0.09 1.28 -0.08 0.00 3.08 -1.28 -1.45 114.38 115.84 3dhr h ARG 30 Ca 0.03 -0.09 0.03 0.00 0.07 0.00 0.00 59.98 60.03 3dhr h ARG 30 Cb 0.14 -0.28 -0.03 0.00 0.08 0.00 0.00 29.97 29.87 3dhr h ARG 30 CO -0.08 0.86 -0.11 1.25 -1.07 0.00 0.00 179.97 180.82 3dhr h LEU 31 N 1.32 -0.33 -1.38 3.04 5.85 -1.05 0.39 115.31 123.14 3dhr h LEU 31 Ca 0.35 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 59.08 3dhr h LEU 31 Cb -0.13 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.06 3dhr h LEU 31 CO -0.07 -0.15 -0.25 -0.07 -0.34 0.00 0.00 178.44 177.55 3dhr h LEU 32 N -0.15 0.00 0.07 2.25 3.38 -1.05 -0.26 115.31 119.54 3dhr h LEU 32 Ca 0.07 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.78 3dhr h LEU 32 Cb 0.24 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3dhr h LEU 32 CO -0.17 0.25 -1.36 0.40 0.09 0.00 0.00 178.44 177.65 3dhr h ILE 33 N 0.00 0.97 -0.13 1.22 2.04 -0.95 -3.31 117.51 117.35 3dhr h ILE 33 Ca -0.00 -2.30 -0.21 0.00 1.00 0.00 0.00 64.86 63.35 3dhr h ILE 33 Cb 0.62 2.54 0.01 0.00 -0.74 0.00 0.00 36.82 39.25 3dhr h ILE 33 CO 0.03 0.58 -0.73 0.58 0.00 0.00 0.00 178.15 178.62 3dhr h VAL 34 N -0.55 1.30 -3.03 1.67 2.07 -0.27 -3.38 116.25 114.06 3dhr h VAL 34 Ca -0.32 -1.96 -0.62 0.00 0.82 0.00 0.00 66.70 64.62 3dhr h VAL 34 Cb 1.59 2.08 -0.42 0.00 -1.52 0.00 0.00 31.29 33.02 3dhr h VAL 34 CO -0.04 0.61 -0.60 -0.31 0.02 0.00 0.00 177.57 177.25 3dhr s TYR 35 N -3.68 3.41 -0.17 1.57 2.02 -0.11 -4.99 117.35 115.40 3dhr s TYR 35 Ca -0.11 -3.28 0.26 0.00 -0.37 0.00 0.00 57.07 53.58 3dhr s TYR 35 Cb 0.08 -2.58 1.27 0.00 -0.40 0.00 0.00 41.96 40.33 3dhr s TYR 35 CO 0.89 -0.56 1.79 -1.35 -1.57 0.00 0.00 175.55 174.74 3dhr h PRO 36 N 5.39 0.00 0.00 -1.71 0.11 -1.75 -1.99 132.00 132.05 3dhr h PRO 36 Ca 0.16 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 3dhr h PRO 36 Cb 0.76 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.87 3dhr h PRO 36 CO 0.69 0.00 -0.03 0.11 -0.21 0.00 0.00 178.00 178.56 3dhr h TRP 37 N 0.00 0.00 0.00 0.65 0.09 -1.91 -2.60 115.95 112.18 3dhr h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 3dhr h TRP 37 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.41 3dhr h TRP 37 CO 0.00 0.03 0.00 1.79 0.09 0.00 0.00 178.44 180.35 3dhr h THR 38 N 0.00 0.00 -0.19 0.12 1.35 -1.68 -2.90 112.91 109.62 3dhr h THR 38 Ca -0.00 -0.28 -0.02 0.00 -0.55 0.00 0.00 66.41 65.56 3dhr h THR 38 Cb 0.49 1.25 -0.01 0.00 -1.73 0.00 0.00 68.15 68.14 3dhr h THR 38 CO 0.00 0.00 0.04 1.56 -0.25 0.00 0.00 175.52 176.88 3dhr h GLN 39 N 0.00 0.26 -0.97 4.72 4.20 -1.68 -2.70 115.11 118.94 3dhr h GLN 39 Ca 0.00 -0.03 0.20 0.00 0.06 0.00 0.00 58.65 58.88 3dhr h GLN 39 Cb 0.29 -0.05 -0.11 0.00 0.30 0.00 0.00 27.48 27.91 3dhr h GLN 39 CO 0.00 0.25 0.56 -0.09 -0.67 0.00 0.00 178.83 178.87 3dhr h ARG 40 N 0.26 0.64 0.00 1.46 2.43 -1.72 0.17 114.38 117.62 3dhr h ARG 40 Ca 0.06 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 3dhr h ARG 40 Cb 0.11 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.51 3dhr h ARG 40 CO -0.00 0.42 -0.15 0.74 -1.51 0.00 0.00 179.97 179.47 3dhr h PHE 41 N 0.66 0.00 -0.16 2.20 0.04 -1.70 -3.21 116.94 114.77 3dhr h PHE 41 Ca 0.57 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 61.24 3dhr h PHE 41 Cb 0.95 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 39.03 3dhr h PHE 41 CO -0.03 0.15 -0.46 1.19 -0.60 0.00 0.00 178.31 178.55 3dhr n PHE 42 N -3.31 0.55 -0.13 -0.55 3.72 -0.04 -4.82 117.46 112.88 3dhr n PHE 42 Ca 0.00 -1.62 0.05 0.00 -0.05 0.00 0.00 57.45 55.82 3dhr n PHE 42 Cb 0.38 -0.31 0.36 0.00 -0.94 0.00 0.00 39.48 38.97 3dhr n PHE 42 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3dhr h SER 43 N 1.16 0.64 0.32 4.37 4.64 -1.32 -1.67 113.55 121.69 3dhr h SER 43 Ca 0.09 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3dhr h SER 43 Cb 1.17 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 3dhr h SER 43 CO 0.17 0.44 0.00 -1.54 -0.87 0.00 0.00 176.83 175.03 3dhr n SER 44 N -4.46 0.00 0.21 4.97 3.41 -1.26 -3.35 113.62 113.14 3dhr n SER 44 Ca 0.08 0.17 0.07 0.00 -0.26 0.00 0.00 58.87 58.93 3dhr n SER 44 Cb 0.14 -0.33 0.45 0.00 -0.26 0.00 0.00 64.21 64.21 3dhr n SER 44 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 3dhr h PHE 45 N 0.00 0.00 0.00 7.33 -1.00 -1.69 -3.49 116.94 118.08 3dhr h PHE 45 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 3dhr h PHE 45 Cb 0.16 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.72 3dhr h PHE 45 CO 0.00 0.30 0.00 0.41 -1.61 0.00 0.00 178.31 177.41 3dhr n GLY 46 N -0.22 0.09 3.57 -1.45 0.00 -1.21 -4.75 105.19 101.22 3dhr n GLY 46 Ca -0.01 -1.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.03 3dhr n GLY 46 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dhr s ASN 47 N -4.00 5.78 -0.16 1.61 2.47 -1.26 -4.82 114.94 114.56 3dhr s ASN 47 Ca 0.00 0.53 0.15 0.00 0.42 0.00 0.00 52.86 53.96 3dhr s ASN 47 Cb 0.00 -2.54 0.43 0.00 -1.45 0.00 0.00 41.25 37.69 3dhr s ASN 47 CO 0.00 -1.94 1.20 0.18 -3.72 0.00 0.00 177.10 172.82 3dhr n LEU 48 N 10.82 2.36 -0.15 3.21 4.77 -1.26 -4.11 117.00 132.64 3dhr n LEU 48 Ca 0.17 -3.43 -0.10 0.00 -0.03 0.00 0.00 56.01 52.62 3dhr n LEU 48 Cb 0.50 -0.36 0.02 0.00 -2.33 0.00 0.00 43.42 41.26 3dhr n LEU 48 CO 0.70 1.20 0.69 0.28 -1.33 0.00 0.00 177.39 178.93 3dhr h SER 49 N 1.10 0.97 -4.10 -1.43 0.02 -1.93 -3.46 113.55 104.72 3dhr h SER 49 Ca -0.04 -0.36 -0.40 0.00 -0.84 0.00 0.00 61.79 60.15 3dhr h SER 49 Cb 1.28 -0.27 -0.14 0.00 0.14 0.00 0.00 62.40 63.41 3dhr h SER 49 CO 0.07 1.14 -0.60 -0.94 -1.14 0.00 0.00 176.83 175.36 3dhr s SER 50 N -6.72 1.63 0.24 3.07 1.04 -1.26 -5.04 113.70 106.66 3dhr s SER 50 Ca -0.11 -1.42 -0.05 0.00 0.48 0.00 0.00 55.95 54.85 3dhr s SER 50 Cb 0.13 0.14 0.25 0.00 0.10 0.00 0.00 66.02 66.64 3dhr s SER 50 CO 0.86 -0.73 1.81 0.00 0.98 0.00 0.00 173.24 176.17 3dhr h ALA 51 N 2.26 1.13 -0.64 5.32 0.00 -2.00 -1.70 119.26 123.63 3dhr h ALA 51 Ca -0.38 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.25 3dhr h ALA 51 Cb 1.25 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 3dhr h ALA 51 CO 0.62 0.63 0.05 1.79 0.00 0.00 0.00 179.25 182.33 3dhr h THR 52 N 1.07 1.27 -0.47 0.00 1.35 -2.00 -2.09 112.91 112.04 3dhr h THR 52 Ca 0.25 -1.11 -0.10 0.00 -0.55 0.00 0.00 66.41 64.90 3dhr h THR 52 Cb 0.20 0.72 -0.01 0.00 -1.73 0.00 0.00 68.15 67.33 3dhr h THR 52 CO -0.02 0.41 -0.11 0.00 -0.25 0.00 0.00 175.52 175.55 3dhr h ALA 53 N 1.02 0.65 -0.20 6.62 0.00 -1.83 -2.94 119.26 122.58 3dhr h ALA 53 Ca 0.19 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3dhr h ALA 53 Cb 0.51 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 3dhr h ALA 53 CO 0.02 0.54 0.04 0.82 0.00 0.00 0.00 179.25 180.68 3dhr h ILE 54 N 0.75 1.22 -0.59 0.00 2.04 -1.25 -2.49 117.51 117.19 3dhr h ILE 54 Ca 0.12 -0.71 -0.02 0.00 1.00 0.00 0.00 64.86 65.24 3dhr h ILE 54 Cb 0.66 1.30 -0.03 0.00 -0.74 0.00 0.00 36.82 38.01 3dhr h ILE 54 CO 0.05 0.22 0.27 0.28 0.00 0.00 0.00 178.15 178.97 3dhr h SER 55 N 0.14 0.75 0.16 1.72 0.02 -1.40 -2.84 113.55 112.09 3dhr h SER 55 Ca 0.06 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3dhr h SER 55 Cb 0.30 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 62.65 3dhr h SER 55 CO 0.00 0.64 -0.31 0.61 -1.14 0.00 0.00 176.83 176.64 3dhr n GLY 56 N -1.14 -0.43 3.66 -3.77 0.00 -1.11 -4.85 105.19 97.55 3dhr n GLY 56 Ca 0.05 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 3dhr n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dhr s ASN 57 N -2.48 6.58 0.37 1.61 3.84 -0.94 -4.90 114.94 119.01 3dhr s ASN 57 Ca 0.23 2.42 0.05 0.00 0.21 0.00 0.00 52.86 55.76 3dhr s ASN 57 Cb 0.19 -2.53 0.71 0.00 -0.55 0.00 0.00 41.25 39.07 3dhr s ASN 57 CO 0.53 -0.98 1.99 1.55 -2.79 0.00 0.00 177.10 177.40 3dhr h PRO 58 N 9.94 0.62 -0.11 0.43 0.13 -1.91 -2.12 132.00 138.98 3dhr h PRO 58 Ca -0.43 -0.07 -0.14 0.00 -0.87 0.00 0.00 66.00 64.49 3dhr h PRO 58 Cb 1.20 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 3dhr h PRO 58 CO 0.95 0.48 -0.54 -0.91 -0.23 0.00 0.00 178.00 177.75 3dhr h ASN 59 N 0.63 0.37 0.12 1.44 2.35 -1.91 -1.90 115.58 116.68 3dhr h ASN 59 Ca 0.16 -0.19 -0.01 0.00 -0.55 0.00 0.00 56.30 55.71 3dhr h ASN 59 Cb 0.05 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.32 3dhr h ASN 59 CO -0.02 0.83 -0.06 0.58 -1.65 0.00 0.00 177.43 177.11 3dhr h VAL 60 N 0.26 0.99 -0.69 2.81 2.07 -1.75 -1.66 116.25 118.28 3dhr h VAL 60 Ca 0.01 -0.42 0.02 0.00 0.82 0.00 0.00 66.70 67.12 3dhr h VAL 60 Cb 1.03 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 32.02 3dhr h VAL 60 CO 0.09 0.10 0.44 0.11 0.02 0.00 0.00 177.57 178.33 3dhr h LYS 61 N -0.35 0.85 -0.28 1.57 1.57 -1.39 -0.01 116.57 118.53 3dhr h LYS 61 Ca -0.02 -0.05 -0.12 0.00 -1.87 0.00 0.00 60.65 58.59 3dhr h LYS 61 Cb 0.29 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3dhr h LYS 61 CO 0.03 0.56 -0.32 0.00 -0.57 0.00 0.00 179.45 179.15 3dhr h ALA 62 N 1.28 0.91 0.09 3.86 0.00 -1.34 -2.71 119.26 121.34 3dhr h ALA 62 Ca 0.27 -0.40 -0.28 0.00 0.00 0.00 0.00 54.91 54.50 3dhr h ALA 62 Cb -0.02 -0.12 0.02 0.00 0.00 0.00 0.00 17.79 17.66 3dhr h ALA 62 CO -0.09 0.62 -1.17 1.25 0.00 0.00 0.00 179.25 179.86 3dhr h HIS 63 N 0.52 0.89 -0.52 0.00 -0.00 -1.04 -3.08 115.15 111.92 3dhr h HIS 63 Ca 0.06 -0.54 0.06 0.00 -0.00 0.00 0.00 60.37 59.94 3dhr h HIS 63 Cb 0.81 -0.08 -0.05 0.00 -0.00 0.00 0.00 27.41 28.09 3dhr h HIS 63 CO 0.03 1.39 0.23 0.78 -0.00 0.00 0.00 177.93 180.36 3dhr h GLY 64 N 0.64 0.72 0.45 5.26 0.00 -0.99 0.01 103.07 109.15 3dhr h GLY 64 Ca -0.16 -0.15 0.11 0.00 0.00 0.00 0.00 47.33 47.14 3dhr h GLY 64 CO 0.22 0.06 0.47 1.70 0.00 0.00 0.00 176.54 178.99 3dhr h LYS 65 N 0.44 0.74 -0.23 4.80 3.64 -1.55 -1.85 116.57 122.56 3dhr h LYS 65 Ca 0.24 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.47 3dhr h LYS 65 Cb 0.20 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 3dhr h LYS 65 CO -0.20 0.49 -0.29 -0.22 -2.27 0.00 0.00 179.45 176.95 3dhr h LYS 66 N 0.76 0.45 -0.44 1.90 3.64 -1.15 -2.42 116.57 119.30 3dhr h LYS 66 Ca 0.42 -0.18 -0.11 0.00 -1.27 0.00 0.00 60.65 59.51 3dhr h LYS 66 Cb 0.44 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 3dhr h LYS 66 CO -0.27 0.70 -0.15 0.28 -2.27 0.00 0.00 179.45 177.74 3dhr h VAL 67 N 0.40 1.27 -0.00 2.00 2.07 -0.27 -3.13 116.25 118.59 3dhr h VAL 67 Ca 0.05 -1.28 -0.16 0.00 0.82 0.00 0.00 66.70 66.13 3dhr h VAL 67 Cb 0.71 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 31.63 3dhr h VAL 67 CO 0.05 0.44 -0.77 -0.07 0.02 0.00 0.00 177.57 177.24 3dhr h LEU 68 N 0.72 0.01 -1.37 2.57 4.07 -1.32 -2.99 115.31 117.00 3dhr h LEU 68 Ca 0.11 -0.01 -0.07 0.00 0.08 0.00 0.00 57.88 57.99 3dhr h LEU 68 Cb 0.70 -0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.43 3dhr h LEU 68 CO 0.05 0.78 -0.30 0.71 -1.08 0.00 0.00 178.44 178.59 3dhr h THR 69 N 0.01 1.22 -0.02 0.22 1.35 -1.45 0.16 112.91 114.40 3dhr h THR 69 Ca -0.01 -1.06 -0.16 0.00 -0.55 0.00 0.00 66.41 64.62 3dhr h THR 69 Cb 1.36 1.56 -0.02 0.00 -1.73 0.00 0.00 68.15 69.32 3dhr h THR 69 CO 0.10 0.31 -0.72 0.77 -0.25 0.00 0.00 175.52 175.72 3dhr h SER 70 N 0.02 0.17 -0.01 5.36 4.64 -1.51 -2.50 113.55 119.71 3dhr h SER 70 Ca 0.00 -0.11 -0.06 0.00 -0.47 0.00 0.00 61.79 61.15 3dhr h SER 70 Cb 0.55 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.58 3dhr h SER 70 CO 0.04 0.83 -0.14 -0.26 -0.87 0.00 0.00 176.83 176.43 3dhr h PHE 71 N 0.09 0.33 -0.12 4.77 0.04 -1.24 -2.48 116.94 118.33 3dhr h PHE 71 Ca -0.02 -0.04 -0.03 0.00 2.80 0.00 0.00 57.97 60.68 3dhr h PHE 71 Cb 1.28 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 39.33 3dhr h PHE 71 CO 0.02 0.45 -0.04 0.78 -0.60 0.00 0.00 178.31 178.91 3dhr h GLY 72 N 0.83 0.19 2.00 -1.45 0.00 -0.57 -1.84 103.07 102.23 3dhr h GLY 72 Ca 0.06 -0.09 -0.07 0.00 0.00 0.00 0.00 47.33 47.22 3dhr h GLY 72 CO 0.03 0.09 -0.33 -0.55 0.00 0.00 0.00 176.54 175.77 3dhr h ASP 73 N 0.17 0.00 0.51 0.19 3.32 -1.04 -2.86 116.42 116.72 3dhr h ASP 73 Ca 0.04 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 56.91 3dhr h ASP 73 Cb 0.20 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.73 3dhr h ASP 73 CO 0.01 0.33 -0.78 0.00 -1.72 0.00 0.00 179.24 177.08 3dhr h ALA 74 N 1.67 0.63 -0.27 3.45 0.00 -1.20 -2.47 119.26 121.08 3dhr h ALA 74 Ca -0.00 -0.66 -0.07 0.00 0.00 0.00 0.00 54.91 54.17 3dhr h ALA 74 Cb 0.86 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 3dhr h ALA 74 CO 0.04 0.85 -0.14 0.28 0.00 0.00 0.00 179.25 180.28 3dhr h VAL 75 N 0.13 1.23 0.00 0.00 2.07 -1.24 -2.65 116.25 115.80 3dhr h VAL 75 Ca -0.03 -1.03 -0.20 0.00 0.82 0.00 0.00 66.70 66.26 3dhr h VAL 75 Cb 1.37 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 32.29 3dhr h VAL 75 CO 0.12 0.33 -0.97 0.11 0.02 0.00 0.00 177.57 177.18 3dhr h LYS 76 N 0.43 0.00 -1.72 1.57 1.57 -1.49 -3.38 116.57 113.56 3dhr h LYS 76 Ca 0.08 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.30 3dhr h LYS 76 Cb 0.50 0.00 -0.42 0.00 0.08 0.00 0.00 32.23 32.40 3dhr h LYS 76 CO 0.03 0.86 -0.79 0.09 -0.57 0.00 0.00 179.45 179.08 3dhr n ASN 77 N -3.30 4.03 -0.04 0.86 3.02 -0.93 -4.90 115.26 114.00 3dhr n ASN 77 Ca -0.01 -3.55 0.06 0.00 -0.03 0.00 0.00 54.58 51.05 3dhr n ASN 77 Cb 0.91 -0.51 0.44 0.00 -0.61 0.00 0.00 39.78 40.01 3dhr n ASN 77 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 3dhr h LEU 78 N 2.77 0.47 0.00 3.41 3.38 -1.66 -1.50 115.31 122.18 3dhr h LEU 78 Ca 0.19 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3dhr h LEU 78 Cb 0.83 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.47 3dhr h LEU 78 CO 0.78 0.32 -0.25 0.44 0.09 0.00 0.00 178.44 179.82 3dhr h ASP 79 N 0.54 0.00 -1.95 -0.43 3.32 -1.90 -3.36 116.42 112.64 3dhr h ASP 79 Ca 0.20 -0.06 -0.52 0.00 0.02 0.00 0.00 57.03 56.67 3dhr h ASP 79 Cb 0.13 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 39.27 3dhr h ASP 79 CO -0.05 0.03 -0.95 -3.20 -1.72 0.00 0.00 179.24 173.35 3dhr n ASN 80 N -2.37 2.64 0.08 6.45 5.15 -0.60 -4.89 115.26 121.73 3dhr n ASN 80 Ca 0.04 -3.30 -0.19 0.00 -0.60 0.00 0.00 54.58 50.53 3dhr n ASN 80 Cb 0.46 -0.57 -0.11 0.00 -0.53 0.00 0.00 39.78 39.03 3dhr n ASN 80 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 3dhr h ILE 81 N 2.11 1.34 -0.80 -1.44 2.04 -1.62 -3.15 117.51 115.99 3dhr h ILE 81 Ca 0.11 -2.51 0.04 0.00 1.00 0.00 0.00 64.86 63.50 3dhr h ILE 81 Cb 0.81 2.62 -0.05 0.00 -0.74 0.00 0.00 36.82 39.47 3dhr h ILE 81 CO 0.65 0.76 0.52 0.11 0.00 0.00 0.00 178.15 180.19 3dhr h LYS 82 N 0.26 0.94 0.06 2.37 1.57 -1.90 -2.67 116.57 117.20 3dhr h LYS 82 Ca -0.15 -0.06 -0.25 0.00 -1.87 0.00 0.00 60.65 58.33 3dhr h LYS 82 Cb 1.82 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 33.92 3dhr h LYS 82 CO 0.21 0.62 -1.08 0.78 -0.57 0.00 0.00 179.45 179.41 3dhr h GLY 83 N 0.97 0.35 1.05 3.86 0.00 -1.97 -3.30 103.07 104.03 3dhr h GLY 83 Ca 0.32 -0.74 -0.06 0.00 0.00 0.00 0.00 47.33 46.85 3dhr h GLY 83 CO -0.09 0.65 0.22 -0.84 0.00 0.00 0.00 176.54 176.48 3dhr h THR 84 N 0.14 1.26 -0.64 4.70 2.02 -1.45 -3.15 112.91 115.79 3dhr h THR 84 Ca -0.10 -0.91 -0.13 0.00 0.77 0.00 0.00 66.41 66.04 3dhr h THR 84 Cb 1.76 0.48 -0.08 0.00 -1.74 0.00 0.00 68.15 68.57 3dhr h THR 84 CO 0.18 0.35 0.16 0.49 0.37 0.00 0.00 175.52 177.08 3dhr n PHE 85 N -4.28 2.20 -0.11 3.16 3.72 -1.03 -4.55 117.46 116.57 3dhr n PHE 85 Ca 0.06 -0.97 -0.12 0.00 -0.05 0.00 0.00 57.45 56.37 3dhr n PHE 85 Cb 0.23 -0.60 -0.03 0.00 -0.94 0.00 0.00 39.48 38.14 3dhr n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3dhr h ALA 86 N 3.14 0.49 -0.04 4.37 0.00 -1.62 -1.57 119.26 124.02 3dhr h ALA 86 Ca 0.16 -0.37 -0.22 0.00 0.00 0.00 0.00 54.91 54.47 3dhr h ALA 86 Cb 2.12 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 19.81 3dhr h ALA 86 CO 0.62 0.46 -0.84 1.96 0.00 0.00 0.00 179.25 181.45 3dhr h GLN 87 N 0.53 0.65 -0.27 0.00 4.20 -1.85 -2.87 115.11 115.50 3dhr h GLN 87 Ca 0.07 -0.64 -0.04 0.00 0.06 0.00 0.00 58.65 58.10 3dhr h GLN 87 Cb 0.78 0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.71 3dhr h GLN 87 CO 0.06 1.24 -0.02 -0.07 -0.67 0.00 0.00 178.83 179.37 3dhr h LEU 88 N 0.29 0.37 -0.60 1.46 3.38 -1.87 -2.03 115.31 116.33 3dhr h LEU 88 Ca -0.09 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.82 3dhr h LEU 88 Cb 1.50 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 42.12 3dhr h LEU 88 CO 0.17 0.45 0.39 -1.28 0.09 0.00 0.00 178.44 178.25 3dhr h SER 89 N 0.39 0.69 0.48 -0.43 0.87 -1.24 -0.74 113.55 113.58 3dhr h SER 89 Ca 0.09 -0.03 -0.09 0.00 -1.23 0.00 0.00 61.79 60.52 3dhr h SER 89 Cb 0.29 -0.17 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 3dhr h SER 89 CO 0.01 0.51 -0.45 -0.08 -0.53 0.00 0.00 176.83 176.30 3dhr h GLU 90 N 0.81 0.00 -0.01 2.24 4.81 -1.22 -1.39 114.58 119.81 3dhr h GLU 90 Ca 0.22 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.44 3dhr h GLU 90 Cb -0.07 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 3dhr h GLU 90 CO -0.05 0.45 -0.01 1.25 -0.73 0.00 0.00 179.01 179.92 3dhr h LEU 91 N 0.00 0.02 -0.54 1.64 5.85 -1.02 -1.88 115.31 119.39 3dhr h LEU 91 Ca -0.00 -0.47 -0.16 0.00 0.84 0.00 0.00 57.88 58.08 3dhr h LEU 91 Cb 0.80 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.82 3dhr h LEU 91 CO 0.06 0.49 -0.58 0.45 -0.34 0.00 0.00 178.44 178.52 3dhr h HIS 92 N -0.44 0.59 0.04 1.25 3.86 -1.07 -0.69 115.15 118.68 3dhr h HIS 92 Ca 0.00 -0.22 -0.19 0.00 -1.16 0.00 0.00 60.37 58.80 3dhr h HIS 92 Cb 0.48 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.83 3dhr h HIS 92 CO 0.09 0.93 -1.04 0.00 0.86 0.00 0.00 177.93 178.78 3dhr n ASP 94 N -4.31 0.75 -0.11 0.00 9.92 -0.71 -3.52 116.55 118.57 3dhr n ASP 94 Ca -0.25 0.33 -0.16 0.00 -0.53 0.00 0.00 54.79 54.18 3dhr n ASP 94 Cb 0.71 0.12 -0.13 0.00 -0.64 0.00 0.00 41.12 41.17 3dhr n ASP 94 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3dhr n LYS 95 N -3.00 0.67 -0.05 -1.24 5.02 -0.84 -4.72 118.16 114.00 3dhr n LYS 95 Ca -0.20 0.13 -0.00 0.00 -2.02 0.00 0.00 58.31 56.21 3dhr n LYS 95 Cb 1.07 -1.55 -0.13 0.00 -0.02 0.00 0.00 35.03 34.40 3dhr n LYS 95 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3dhr n LEU 96 N -3.14 0.00 -3.57 -0.35 4.77 -0.33 -5.02 117.00 109.36 3dhr n LEU 96 Ca -0.40 0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.35 3dhr n LEU 96 Cb 1.04 0.22 0.05 0.00 -2.33 0.00 0.00 43.42 42.40 3dhr n LEU 96 CO 0.33 0.22 -0.04 1.41 -1.33 0.00 0.00 177.39 177.98 3dhr n HIS 97 N -2.38 -2.06 -3.25 -1.77 8.25 -0.47 -4.98 115.22 108.56 3dhr n HIS 97 Ca -0.16 0.74 -0.40 0.00 -0.26 0.00 0.00 57.72 57.65 3dhr n HIS 97 Cb 0.77 -4.10 -0.07 0.00 1.12 0.00 0.00 29.99 27.71 3dhr n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3dhr s VAL 98 N -3.53 5.09 0.29 1.59 1.01 -0.73 -5.04 120.40 119.07 3dhr s VAL 98 Ca 0.24 0.89 -0.30 0.00 0.00 0.00 0.00 61.98 62.81 3dhr s VAL 98 Cb -0.06 -3.82 -0.11 0.00 0.00 0.00 0.00 36.38 32.39 3dhr s VAL 98 CO 0.80 0.12 1.53 -0.62 0.00 0.00 0.00 175.10 176.94 3dhr s ASP 99 N 1.40 6.47 0.45 3.32 2.15 -1.26 -4.79 116.67 124.40 3dhr s ASP 99 Ca 0.22 2.86 0.24 0.00 0.43 0.00 0.00 52.55 56.30 3dhr s ASP 99 Cb -0.15 -2.63 1.24 0.00 -0.30 0.00 0.00 42.92 41.07 3dhr s ASP 99 CO 0.09 -0.83 1.80 -0.65 -0.17 0.00 0.00 175.17 175.41 3dhr h PRO 100 N 4.69 0.26 -0.42 4.34 0.11 -1.98 -1.63 132.00 137.37 3dhr h PRO 100 Ca -0.47 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.67 3dhr h PRO 100 Cb 1.22 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 3dhr h PRO 100 CO 0.77 0.17 0.28 0.93 -0.21 0.00 0.00 178.00 179.94 3dhr h GLU 101 N 0.27 0.37 -0.10 1.05 4.39 -2.00 -0.23 114.58 118.33 3dhr h GLU 101 Ca 0.56 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 60.21 3dhr h GLU 101 Cb 1.66 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 30.22 3dhr h GLU 101 CO -0.19 0.25 -0.07 -0.91 -1.16 0.00 0.00 179.01 176.93 3dhr h ASN 102 N 0.38 0.14 -0.73 1.42 2.35 -1.67 -1.63 115.58 115.84 3dhr h ASN 102 Ca 0.18 -0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.85 3dhr h ASN 102 Cb 0.22 -0.04 -0.03 0.00 0.05 0.00 0.00 38.32 38.52 3dhr h ASN 102 CO -0.04 0.23 0.23 -0.26 -1.65 0.00 0.00 177.43 175.94 3dhr h PHE 103 N 0.15 1.17 -0.51 1.19 0.04 -1.17 -2.26 116.94 115.55 3dhr h PHE 103 Ca 0.03 -0.12 -0.11 0.00 2.80 0.00 0.00 57.97 60.58 3dhr h PHE 103 Cb 0.22 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 38.01 3dhr h PHE 103 CO 0.00 0.93 -0.10 0.00 -0.60 0.00 0.00 178.31 178.54 3dhr h ARG 104 N 1.09 0.94 -0.59 1.51 3.08 -1.27 -2.22 114.38 116.92 3dhr h ARG 104 Ca 0.24 -0.33 -0.06 0.00 0.07 0.00 0.00 59.98 59.89 3dhr h ARG 104 Cb 0.30 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 3dhr h ARG 104 CO -0.01 0.99 0.13 -0.07 -1.07 0.00 0.00 179.97 179.95 3dhr h LEU 105 N 0.84 0.90 -0.84 3.04 3.38 -1.16 -1.37 115.31 120.10 3dhr h LEU 105 Ca 0.14 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 3dhr h LEU 105 Cb 0.64 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3dhr h LEU 105 CO 0.04 0.91 -0.16 0.25 0.09 0.00 0.00 178.44 179.57 3dhr h LEU 106 N 0.85 0.68 -0.30 1.67 5.85 -1.35 -1.61 115.31 121.10 3dhr h LEU 106 Ca 0.18 -0.22 0.02 0.00 0.84 0.00 0.00 57.88 58.70 3dhr h LEU 106 Cb 0.37 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 3dhr h LEU 106 CO 0.00 0.86 0.16 1.23 -0.34 0.00 0.00 178.44 180.36 3dhr h GLY 107 N 0.98 0.41 1.01 3.75 0.00 -1.16 -0.49 103.07 107.57 3dhr h GLY 107 Ca 0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.29 3dhr h GLY 107 CO 0.04 0.10 0.36 -0.55 0.00 0.00 0.00 176.54 176.49 3dhr h ASP 108 N 0.34 0.89 -0.21 0.19 3.32 -0.99 -1.63 116.42 118.33 3dhr h ASP 108 Ca 0.12 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 3dhr h ASP 108 Cb 0.02 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.33 3dhr h ASP 108 CO -0.07 0.75 0.09 0.40 -1.72 0.00 0.00 179.24 178.69 3dhr h ILE 109 N 0.96 1.14 -0.71 0.35 2.04 -1.15 -2.08 117.51 118.06 3dhr h ILE 109 Ca 0.24 -0.42 0.10 0.00 1.00 0.00 0.00 64.86 65.79 3dhr h ILE 109 Cb 0.08 1.04 -0.08 0.00 -0.74 0.00 0.00 36.82 37.12 3dhr h ILE 109 CO -0.03 0.14 0.34 0.25 0.00 0.00 0.00 178.15 178.84 3dhr h LEU 110 N 0.20 0.41 -0.68 1.44 5.85 -0.82 -0.49 115.31 121.21 3dhr h LEU 110 Ca 0.07 0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.91 3dhr h LEU 110 Cb 0.13 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.12 3dhr h LEU 110 CO -0.01 0.22 0.40 0.58 -0.34 0.00 0.00 178.44 179.29 3dhr h VAL 111 N 0.56 1.02 -0.29 1.05 2.07 -1.08 -0.97 116.25 118.61 3dhr h VAL 111 Ca 0.36 -0.26 -0.08 0.00 0.82 0.00 0.00 66.70 67.55 3dhr h VAL 111 Cb 0.43 0.20 -0.02 0.00 -1.52 0.00 0.00 31.29 30.38 3dhr h VAL 111 CO -0.30 0.14 -0.15 0.40 0.02 0.00 0.00 177.57 177.68 3dhr h ILE 112 N 0.76 1.24 -0.31 4.57 2.04 -0.58 -0.69 117.51 124.53 3dhr h ILE 112 Ca 0.29 -1.08 -0.17 0.00 1.00 0.00 0.00 64.86 64.91 3dhr h ILE 112 Cb 0.11 1.19 -0.00 0.00 -0.74 0.00 0.00 36.82 37.38 3dhr h ILE 112 CO -0.15 0.35 -0.46 0.40 0.00 0.00 0.00 178.15 178.30 3dhr h ILE 113 N 0.46 1.28 -0.62 -0.67 2.04 -0.64 -1.28 117.51 118.07 3dhr h ILE 113 Ca 0.08 -1.64 -0.03 0.00 1.00 0.00 0.00 64.86 64.27 3dhr h ILE 113 Cb 0.53 1.58 -0.03 0.00 -0.74 0.00 0.00 36.82 38.16 3dhr h ILE 113 CO 0.03 0.54 0.26 -0.07 0.00 0.00 0.00 178.15 178.91 3dhr h LEU 114 N 0.64 0.84 -0.41 1.44 3.38 -1.04 -1.05 115.31 119.09 3dhr h LEU 114 Ca 0.03 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 57.88 3dhr h LEU 114 Cb 1.06 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 3dhr h LEU 114 CO 0.11 0.76 0.19 0.00 0.09 0.00 0.00 178.44 179.59 3dhr h ALA 115 N 1.11 0.51 -0.60 1.53 0.00 -1.01 -0.90 119.26 119.89 3dhr h ALA 115 Ca 0.21 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.06 3dhr h ALA 115 Cb 0.17 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3dhr h ALA 115 CO -0.02 -0.18 0.03 0.00 0.00 0.00 0.00 179.25 179.08 3dhr h ALA 116 N 1.24 0.92 0.00 0.00 0.00 -1.05 -1.07 119.26 119.29 3dhr h ALA 116 Ca 0.18 -0.29 -0.12 0.00 0.00 0.00 0.00 54.91 54.68 3dhr h ALA 116 Cb 0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3dhr h ALA 116 CO -0.15 0.65 -0.56 0.45 0.00 0.00 0.00 179.25 179.64 3dhr h HIS 117 N 0.95 0.00 0.00 0.00 -0.00 -0.96 -3.36 115.15 111.78 3dhr h HIS 117 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.55 3dhr h HIS 117 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.91 3dhr h HIS 117 CO 0.03 0.56 -0.71 1.19 -0.00 0.00 0.00 177.93 179.01 3dhr n PHE 118 N -3.44 0.00 0.00 2.45 3.72 -0.36 -5.06 117.46 114.76 3dhr n PHE 118 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 3dhr n PHE 118 Cb 0.67 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 39.15 3dhr n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3dhr n GLY 119 N 1.44 3.44 0.25 1.37 0.00 -0.41 -1.98 105.19 109.31 3dhr n GLY 119 Ca 0.01 0.24 0.12 0.00 0.00 0.00 0.00 46.02 46.39 3dhr n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dhr h LYS 120 N 0.00 0.00 0.00 1.61 1.57 -1.97 -2.35 116.57 115.43 3dhr h LYS 120 Ca 0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 3dhr h LYS 120 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 3dhr h LYS 120 CO 0.00 0.15 -0.38 -0.44 -0.57 0.00 0.00 179.45 178.21 3dhr h ASP 121 N 0.00 0.00 -0.50 0.86 3.32 -1.80 -3.35 116.42 114.95 3dhr h ASP 121 Ca -0.00 0.00 -0.66 0.00 0.02 0.00 0.00 57.03 56.38 3dhr h ASP 121 Cb 0.41 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.90 3dhr h ASP 121 CO 0.02 0.38 2.45 0.33 -1.72 0.00 0.00 179.24 180.70 3dhr n PHE 122 N -3.56 4.02 -1.43 4.55 7.35 -0.88 -4.89 117.46 122.61 3dhr n PHE 122 Ca -0.00 -2.74 -0.30 0.00 -0.76 0.00 0.00 57.45 53.64 3dhr n PHE 122 Cb 0.50 -2.57 0.09 0.00 0.35 0.00 0.00 39.48 37.86 3dhr n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3dhr s THR 123 N 4.39 3.28 0.28 -2.13 -4.23 -1.26 -4.73 115.64 111.24 3dhr s THR 123 Ca 0.53 0.42 0.01 0.00 -1.18 0.00 0.00 61.69 61.47 3dhr s THR 123 Cb 0.08 -3.05 0.27 0.00 1.34 0.00 0.00 72.50 71.13 3dhr s THR 123 CO 0.03 -0.54 1.79 -0.65 -0.54 0.00 0.00 174.62 174.70 3dhr h PRO 124 N -1.10 0.74 -0.65 3.99 0.11 -1.94 0.32 132.00 133.48 3dhr h PRO 124 Ca -0.46 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 65.54 3dhr h PRO 124 Cb 1.25 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 32.17 3dhr h PRO 124 CO 0.56 0.49 0.16 0.93 -0.21 0.00 0.00 178.00 179.93 3dhr h GLU 125 N 0.76 1.04 -0.72 1.05 3.07 -1.98 -0.40 114.58 117.39 3dhr h GLU 125 Ca 0.50 -0.25 -0.04 0.00 -0.50 0.00 0.00 59.36 59.08 3dhr h GLU 125 Cb 0.68 -0.14 -0.03 0.00 -0.84 0.00 0.00 28.75 28.42 3dhr h GLU 125 CO -0.34 0.93 0.30 0.00 -1.40 0.00 0.00 179.01 178.50 3dhr h GLN 127 N 1.03 0.76 -0.98 0.00 4.15 -0.08 -2.45 115.11 117.54 3dhr h GLN 127 Ca 0.24 -0.08 0.02 0.00 0.77 0.00 0.00 58.65 59.60 3dhr h GLN 127 Cb 0.20 -0.15 -0.05 0.00 0.21 0.00 0.00 27.48 27.69 3dhr h GLN 127 CO -0.02 0.58 0.65 0.00 -1.93 0.00 0.00 178.83 178.10 3dhr h ALA 128 N 1.14 1.27 -0.31 3.38 0.00 -0.86 0.05 119.26 123.92 3dhr h ALA 128 Ca 0.19 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 3dhr h ALA 128 Cb 0.03 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 3dhr h ALA 128 CO -0.03 0.59 0.01 0.00 0.00 0.00 0.00 179.25 179.82 3dhr h ALA 129 N 1.38 0.42 -0.08 0.00 0.00 -1.34 -2.41 119.26 117.22 3dhr h ALA 129 Ca 0.37 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 3dhr h ALA 129 Cb -0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 3dhr h ALA 129 CO -0.10 0.16 -0.54 -1.49 0.00 0.00 0.00 179.25 177.28 3dhr h TRP 130 N 0.34 0.30 -0.33 0.00 4.06 -1.01 -1.75 115.95 117.56 3dhr h TRP 130 Ca 0.09 -0.10 -0.14 0.00 2.06 0.00 0.00 58.89 60.79 3dhr h TRP 130 Cb 0.43 -0.06 -0.01 0.00 -1.00 0.00 0.00 29.16 28.52 3dhr h TRP 130 CO 0.03 0.73 -0.37 0.37 -3.56 0.00 0.00 178.44 175.65 3dhr h GLN 131 N 0.19 0.77 -0.61 0.49 5.75 -1.02 -1.51 115.11 119.16 3dhr h GLN 131 Ca 0.00 -0.38 0.00 0.00 -0.15 0.00 0.00 58.65 58.12 3dhr h GLN 131 Cb 1.02 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.54 3dhr h GLN 131 CO 0.08 1.01 0.39 -0.22 -2.65 0.00 0.00 178.83 177.44 3dhr h LYS 132 N 0.64 0.81 -0.33 1.69 3.64 -1.26 -1.86 116.57 119.88 3dhr h LYS 132 Ca 0.06 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.34 3dhr h LYS 132 Cb 0.91 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 32.54 3dhr h LYS 132 CO 0.08 0.55 0.03 1.25 -2.27 0.00 0.00 179.45 179.09 3dhr h LEU 133 N 0.82 0.55 -1.30 5.20 5.85 -1.14 -1.73 115.31 123.56 3dhr h LEU 133 Ca 0.22 -0.28 -0.07 0.00 0.84 0.00 0.00 57.88 58.59 3dhr h LEU 133 Cb -0.07 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 3dhr h LEU 133 CO -0.05 0.69 -0.34 -0.37 -0.34 0.00 0.00 178.44 178.03 3dhr h VAL 134 N 0.38 1.15 -0.04 1.05 -1.51 -1.22 -1.07 116.25 114.99 3dhr h VAL 134 Ca 0.10 -1.21 -0.21 0.00 -1.23 0.00 0.00 66.70 64.14 3dhr h VAL 134 Cb 0.39 1.67 -0.00 0.00 -2.13 0.00 0.00 31.29 31.22 3dhr h VAL 134 CO 0.01 0.34 -0.85 0.08 -1.23 0.00 0.00 177.57 175.92 3dhr h ARG 135 N 0.00 0.42 -0.43 5.19 0.11 -1.21 -1.48 114.38 116.98 3dhr h ARG 135 Ca -0.00 -0.41 -0.15 0.00 0.10 0.00 0.00 59.98 59.52 3dhr h ARG 135 Cb 0.65 0.10 -0.01 0.00 1.11 0.00 0.00 29.97 31.82 3dhr h ARG 135 CO 0.04 1.06 -0.31 0.28 0.10 0.00 0.00 179.97 181.14 3dhr h VAL 136 N 0.26 1.27 -0.50 0.08 2.07 -1.06 -1.35 116.25 117.02 3dhr h VAL 136 Ca -0.06 -1.48 -0.03 0.00 0.82 0.00 0.00 66.70 65.95 3dhr h VAL 136 Cb 1.46 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 32.47 3dhr h VAL 136 CO 0.15 0.50 0.21 0.58 0.02 0.00 0.00 177.57 179.03 3dhr h VAL 137 N 0.81 1.21 -0.73 2.57 2.07 -1.20 -1.21 116.25 119.77 3dhr h VAL 137 Ca 0.08 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 3dhr h VAL 137 Cb 0.90 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 3dhr h VAL 137 CO 0.08 0.24 0.43 0.00 0.02 0.00 0.00 177.57 178.35 3dhr h ALA 138 N 1.05 0.93 -0.59 1.67 0.00 -1.19 -1.20 119.26 119.95 3dhr h ALA 138 Ca 0.17 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3dhr h ALA 138 Cb 0.19 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3dhr h ALA 138 CO -0.01 0.41 0.05 1.25 0.00 0.00 0.00 179.25 180.95 3dhr h HIS 139 N 1.00 1.05 -0.10 0.00 6.17 -1.06 -1.71 115.15 120.49 3dhr h HIS 139 Ca 0.26 -0.15 -0.12 0.00 0.71 0.00 0.00 60.37 61.07 3dhr h HIS 139 Cb -0.02 -0.28 -0.01 0.00 2.52 0.00 0.00 27.41 29.61 3dhr h HIS 139 CO -0.01 0.91 -0.47 0.00 0.71 0.00 0.00 177.93 179.07 3dhr h ALA 140 N 1.13 1.01 0.00 5.26 0.00 -0.95 -2.85 119.26 122.86 3dhr h ALA 140 Ca 0.18 -0.46 -0.08 0.00 0.00 0.00 0.00 54.91 54.55 3dhr h ALA 140 Cb 0.47 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3dhr h ALA 140 CO 0.02 0.64 -0.38 -0.07 0.00 0.00 0.00 179.25 179.45 3dhr h LEU 141 N 0.21 0.00 -1.11 0.00 3.38 -1.01 -3.11 115.31 113.67 3dhr h LEU 141 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3dhr h LEU 141 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 3dhr h LEU 141 CO 0.07 0.38 0.00 0.00 0.09 0.00 0.00 178.44 178.99 3dhr n ALA 142 N -2.22 2.53 -0.28 1.53 0.00 -0.66 -4.42 120.51 116.98 3dhr n ALA 142 Ca 0.01 -0.52 0.08 0.00 0.00 0.00 0.00 53.44 53.01 3dhr n ALA 142 Cb 0.62 -1.10 0.23 0.00 0.00 0.00 0.00 19.45 19.20 3dhr n ALA 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dhr h ARG 143 N 2.31 0.50 0.00 0.00 3.08 -1.43 -1.85 114.38 116.99 3dhr h ARG 143 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 3dhr h ARG 143 Cb 0.50 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3dhr h ARG 143 CO 0.00 0.33 0.00 0.87 -1.07 0.00 0.00 179.97 180.10 3dhr h LYS 144 N 0.52 0.00 0.19 0.04 1.79 -1.84 -3.23 116.57 114.04 3dhr h LYS 144 Ca 0.46 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.92 3dhr h LYS 144 Cb 0.72 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 3dhr h LYS 144 CO -0.41 0.00 -0.09 1.88 -1.08 0.00 0.00 179.45 179.75 3dhr h TYR 145 N 0.00 -0.24 0.00 -1.35 0.05 -1.66 -3.49 116.97 110.27 3dhr h TYR 145 Ca 0.00 -0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.77 3dhr h TYR 145 Cb 0.55 0.08 0.00 0.00 1.01 0.00 0.00 36.73 38.37 3dhr h TYR 145 CO 0.00 0.08 0.00 0.72 -1.05 0.00 0.00 178.16 177.91