#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h0l n ASP 3 N 0.00 -2.92 -0.10 6.55 9.92 -1.26 -4.87 116.55 123.87 3h0l n ASP 3 Ca 0.00 0.43 -0.10 0.00 -0.53 0.00 0.00 54.79 54.59 3h0l n ASP 3 Cb 0.00 -1.06 -0.03 0.00 -0.64 0.00 0.00 41.12 39.39 3h0l n ASP 3 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 3h0l h ARG 4 N -0.79 0.47 -0.80 -1.24 2.43 -2.00 -2.94 114.38 109.52 3h0l h ARG 4 Ca -0.44 -0.11 0.18 0.00 -0.81 0.00 0.00 59.98 58.80 3h0l h ARG 4 Cb 1.33 -0.06 -0.11 0.00 -0.42 0.00 0.00 29.97 30.71 3h0l h ARG 4 CO 0.35 0.54 0.27 1.49 -1.51 0.00 0.00 179.97 181.11 3h0l h GLU 5 N 0.32 0.34 0.22 0.20 4.81 -1.99 -0.98 114.58 117.49 3h0l h GLU 5 Ca 0.09 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 3h0l h GLU 5 Cb 0.27 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.58 3h0l h GLU 5 CO -0.00 0.22 -0.11 2.35 -0.73 0.00 0.00 179.01 180.75 3h0l h TRP 6 N 0.35 -0.28 -0.59 0.92 7.01 -1.90 -1.17 115.95 120.29 3h0l h TRP 6 Ca 0.46 -0.01 0.09 0.00 2.11 0.00 0.00 58.89 61.55 3h0l h TRP 6 Cb 0.80 0.09 -0.07 0.00 -2.10 0.00 0.00 29.16 27.89 3h0l h TRP 6 CO -0.21 -0.09 0.20 0.28 -2.79 0.00 0.00 178.44 175.84 3h0l h VAL 7 N -0.41 0.76 -0.55 2.65 2.07 -1.23 -0.45 116.25 119.09 3h0l h VAL 7 Ca -0.03 -0.13 -0.07 0.00 0.82 0.00 0.00 66.70 67.29 3h0l h VAL 7 Cb 0.32 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 3h0l h VAL 7 CO 0.05 0.07 0.07 -0.07 0.02 0.00 0.00 177.57 177.71 3h0l h LEU 8 N 0.37 0.84 -0.14 2.57 3.38 -1.08 -0.81 115.31 120.45 3h0l h LEU 8 Ca 0.30 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 3h0l h LEU 8 Cb 0.37 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3h0l h LEU 8 CO -0.31 0.86 -0.04 0.50 0.09 0.00 0.00 178.44 179.54 3h0l h LYS 9 N 0.84 0.27 -0.41 1.13 3.64 -0.44 -1.87 116.57 119.73 3h0l h LYS 9 Ca 0.17 -0.11 -0.06 0.00 -1.27 0.00 0.00 60.65 59.39 3h0l h LYS 9 Cb 0.40 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.19 3h0l h LYS 9 CO 0.01 0.58 0.04 0.82 -2.27 0.00 0.00 179.45 178.62 3h0l h ILE 10 N -0.05 1.25 -0.51 2.00 1.08 -1.07 -2.45 117.51 117.76 3h0l h ILE 10 Ca 0.03 -0.94 -0.01 0.00 -0.39 0.00 0.00 64.86 63.55 3h0l h ILE 10 Cb 0.48 1.05 -0.03 0.00 -3.07 0.00 0.00 36.82 35.26 3h0l h ILE 10 CO 0.02 0.32 0.28 0.00 -0.69 0.00 0.00 178.15 178.08 3h0l h ALA 11 N 0.91 1.54 -0.05 1.87 0.00 -1.14 -1.83 119.26 120.56 3h0l h ALA 11 Ca 0.12 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3h0l h ALA 11 Cb 0.42 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3h0l h ALA 11 CO 0.01 0.39 0.02 -0.22 0.00 0.00 0.00 179.25 179.45 3h0l h LYS 12 N 0.71 0.07 -0.90 0.00 3.64 -1.11 0.18 116.57 119.17 3h0l h LYS 12 Ca 0.18 -0.02 0.10 0.00 -1.27 0.00 0.00 60.65 59.64 3h0l h LYS 12 Cb 0.02 -0.01 -0.06 0.00 -0.41 0.00 0.00 32.23 31.76 3h0l h LYS 12 CO -0.03 0.24 0.58 -0.07 -2.27 0.00 0.00 179.45 177.90 3h0l h LEU 13 N -0.11 0.81 -0.82 5.20 3.38 -0.95 -0.80 115.31 122.02 3h0l h LEU 13 Ca 0.02 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3h0l h LEU 13 Cb 0.19 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.80 3h0l h LEU 13 CO -0.00 0.48 -0.04 0.00 0.09 0.00 0.00 178.44 178.96 3h0l n ALA 14 N -2.40 2.67 -3.54 1.53 0.00 -0.74 -4.97 120.51 113.05 3h0l n ALA 14 Ca 0.15 -0.42 -0.20 0.00 0.00 0.00 0.00 53.44 52.97 3h0l n ALA 14 Cb 0.30 -1.18 0.06 0.00 0.00 0.00 0.00 19.45 18.63 3h0l n ALA 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3h0l n ARG 15 N -0.05 -4.81 -3.99 0.00 5.12 0.20 -5.01 116.66 108.12 3h0l n ARG 15 Ca 0.18 0.72 -0.34 0.00 -1.93 0.00 0.00 57.85 56.48 3h0l n ARG 15 Cb 0.34 -5.42 -0.15 0.00 -1.16 0.00 0.00 32.46 26.07 3h0l n ARG 15 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3h0l s LEU 16 N -6.37 2.63 -0.94 0.55 1.43 0.39 -5.03 118.68 111.34 3h0l s LEU 16 Ca 0.10 -0.48 -0.19 0.00 -1.03 0.00 0.00 54.13 52.53 3h0l s LEU 16 Cb -0.02 -1.65 0.12 0.00 0.03 0.00 0.00 46.19 44.67 3h0l s LEU 16 CO 0.78 -0.01 1.16 -0.70 0.23 0.00 0.00 176.35 177.80 3h0l s GLU 17 N 1.40 3.60 0.28 1.70 2.12 -1.26 -4.38 118.70 122.15 3h0l s GLU 17 Ca 0.05 -1.70 -0.29 0.00 0.36 0.00 0.00 54.97 53.39 3h0l s GLU 17 Cb -0.14 -4.96 -0.10 0.00 0.26 0.00 0.00 34.13 29.20 3h0l s GLU 17 CO -0.06 -1.81 1.29 -0.51 -0.54 0.00 0.00 175.26 173.63 3h0l s LEU 18 N 2.90 4.44 0.48 2.70 1.43 -1.26 -5.01 118.68 124.36 3h0l s LEU 18 Ca 0.34 2.55 -0.20 0.00 -1.03 0.00 0.00 54.13 55.79 3h0l s LEU 18 Cb -0.04 -3.63 -0.09 0.00 0.03 0.00 0.00 46.19 42.46 3h0l s LEU 18 CO -0.09 -0.50 1.00 -0.54 0.23 0.00 0.00 176.35 176.45 3h0l s LYS 19 N -1.09 3.91 0.46 1.70 1.02 -1.26 -4.88 119.74 119.60 3h0l s LYS 19 Ca 0.52 1.21 0.17 0.00 0.02 0.00 0.00 55.97 57.90 3h0l s LYS 19 Cb -0.38 -2.12 1.14 0.00 -0.52 0.00 0.00 37.83 35.95 3h0l s LYS 19 CO 0.46 -0.32 1.97 1.49 -0.92 0.00 0.00 175.35 178.02 3h0l h GLU 20 N 1.47 0.29 -0.85 1.68 4.57 -2.01 0.61 114.58 120.34 3h0l h GLU 20 Ca -0.49 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.68 3h0l h GLU 20 Cb 1.20 -0.07 -0.04 0.00 -0.16 0.00 0.00 28.75 29.69 3h0l h GLU 20 CO 0.60 0.19 0.54 0.93 -1.18 0.00 0.00 179.01 180.09 3h0l h GLU 21 N 0.30 1.14 -0.10 1.92 3.07 -2.01 -3.17 114.58 115.72 3h0l h GLU 21 Ca 0.30 -0.08 -0.17 0.00 -0.50 0.00 0.00 59.36 58.91 3h0l h GLU 21 Cb 0.77 -0.25 0.01 0.00 -0.84 0.00 0.00 28.75 28.43 3h0l h GLU 21 CO -0.07 0.78 -0.58 0.93 -1.40 0.00 0.00 179.01 178.66 3h0l h GLU 22 N 1.17 0.58 -0.85 2.33 5.08 -1.27 -2.77 114.58 118.85 3h0l h GLU 22 Ca 0.31 -0.48 0.19 0.00 -1.00 0.00 0.00 59.36 58.38 3h0l h GLU 22 Cb -0.09 0.10 -0.11 0.00 0.50 0.00 0.00 28.75 29.15 3h0l h GLU 22 CO -0.06 1.11 0.35 0.82 -1.00 0.00 0.00 179.01 180.22 3h0l h ILE 23 N 0.20 0.54 -0.14 3.13 2.04 -1.43 0.40 117.51 122.24 3h0l h ILE 23 Ca -0.04 -0.14 -0.11 0.00 1.00 0.00 0.00 64.86 65.56 3h0l h ILE 23 Cb 1.23 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 37.40 3h0l h ILE 23 CO 0.12 0.08 -0.34 -0.33 0.00 0.00 0.00 178.15 177.68 3h0l h GLU 24 N 0.41 0.48 -0.26 2.37 5.08 -1.52 -2.63 114.58 118.51 3h0l h GLU 24 Ca 0.50 -0.33 -0.04 0.00 -1.00 0.00 0.00 59.36 58.50 3h0l h GLU 24 Cb 0.89 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.18 3h0l h GLU 24 CO -0.49 0.94 0.02 0.28 -1.00 0.00 0.00 179.01 178.76 3h0l h VAL 25 N 0.09 1.25 0.00 3.13 2.07 -1.15 -2.98 116.25 118.66 3h0l h VAL 25 Ca -0.00 -0.86 0.00 0.00 0.82 0.00 0.00 66.70 66.66 3h0l h VAL 25 Cb 0.95 1.30 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 3h0l h VAL 25 CO 0.07 0.27 0.00 -0.26 0.02 0.00 0.00 177.57 177.68 3h0l h PHE 26 N 0.23 0.00 0.11 1.57 0.04 -0.30 -1.38 116.94 117.22 3h0l h PHE 26 Ca 0.08 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 3h0l h PHE 26 Cb 0.38 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.53 3h0l h PHE 26 CO 0.03 0.00 -0.05 1.96 -0.60 0.00 0.00 178.31 179.65 3h0l h GLN 27 N 0.00 -0.15 -0.06 1.51 4.20 -1.31 -2.06 115.11 117.25 3h0l h GLN 27 Ca 0.00 0.01 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 3h0l h GLN 27 Cb 0.45 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.27 3h0l h GLN 27 CO 0.00 0.03 -0.24 -0.22 -0.67 0.00 0.00 178.83 177.73 3h0l h LYS 28 N -0.29 0.26 -0.30 1.46 3.64 -1.46 -2.78 116.57 117.10 3h0l h LYS 28 Ca -0.02 -0.20 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 3h0l h LYS 28 Cb 0.24 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 3h0l h LYS 28 CO 0.03 0.84 0.20 1.96 -2.27 0.00 0.00 179.45 180.21 3h0l h GLN 29 N -0.26 0.39 -0.40 1.90 4.20 -1.36 -0.15 115.11 119.43 3h0l h GLN 29 Ca -0.01 -0.02 -0.14 0.00 0.06 0.00 0.00 58.65 58.53 3h0l h GLN 29 Cb 0.88 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.56 3h0l h GLN 29 CO 0.05 0.26 -0.31 -0.07 -0.67 0.00 0.00 178.83 178.09 3h0l h LEU 30 N 0.41 0.92 -0.35 1.46 3.38 -1.48 -0.50 115.31 119.14 3h0l h LEU 30 Ca 0.11 -0.39 0.05 0.00 0.09 0.00 0.00 57.88 57.75 3h0l h LEU 30 Cb -0.04 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.40 3h0l h LEU 30 CO -0.03 1.16 0.06 0.28 0.09 0.00 0.00 178.44 180.00 3h0l h SER 31 N 0.74 0.00 0.05 -0.43 0.02 -1.29 0.20 113.55 112.84 3h0l h SER 31 Ca 0.08 0.06 0.02 0.00 -0.84 0.00 0.00 61.79 61.10 3h0l h SER 31 Cb 0.88 0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.48 3h0l h SER 31 CO 0.08 0.04 -0.13 0.44 -1.14 0.00 0.00 176.83 176.11 3h0l h ASP 32 N 0.18 -0.37 -0.72 3.07 3.32 -0.75 -1.63 116.42 119.53 3h0l h ASP 32 Ca 0.16 0.05 -0.03 0.00 0.02 0.00 0.00 57.03 57.23 3h0l h ASP 32 Cb 0.19 0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.85 3h0l h ASP 32 CO -0.22 -0.19 0.34 0.40 -1.72 0.00 0.00 179.24 177.85 3h0l h ILE 33 N -0.25 1.24 -0.56 0.35 2.04 -0.85 0.22 117.51 119.71 3h0l h ILE 33 Ca 0.03 -0.69 -0.04 0.00 1.00 0.00 0.00 64.86 65.16 3h0l h ILE 33 Cb 0.28 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.64 3h0l h ILE 33 CO -0.10 0.29 0.18 -0.07 0.00 0.00 0.00 178.15 178.45 3h0l h LEU 34 N 1.05 0.77 -0.37 1.44 4.07 -0.35 0.06 115.31 121.97 3h0l h LEU 34 Ca 0.25 -0.12 -0.18 0.00 0.08 0.00 0.00 57.88 57.91 3h0l h LEU 34 Cb 0.13 -0.20 -0.00 0.00 1.08 0.00 0.00 40.66 41.67 3h0l h LEU 34 CO -0.03 0.72 -0.61 0.44 -1.08 0.00 0.00 178.44 177.88 3h0l h ASP 35 N 0.81 0.78 -0.22 -0.43 3.32 -0.73 -3.09 116.42 116.87 3h0l h ASP 35 Ca 0.19 -0.45 0.02 0.00 0.02 0.00 0.00 57.03 56.81 3h0l h ASP 35 Cb 0.23 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 3h0l h ASP 35 CO -0.01 1.21 0.08 0.15 -1.72 0.00 0.00 179.24 178.95 3h0l h PHE 36 N 0.51 0.14 -0.01 4.55 3.57 0.44 -3.06 116.94 123.08 3h0l h PHE 36 Ca -0.01 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3h0l h PHE 36 Cb 1.20 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.91 3h0l h PHE 36 CO 0.06 0.07 -0.19 0.44 -2.23 0.00 0.00 178.31 176.46 3h0l n ILE 37 N -5.04 0.00 -2.06 1.41 -5.35 -0.09 -4.57 119.36 103.67 3h0l n ILE 37 Ca -0.02 -0.13 -0.42 0.00 -0.27 0.00 0.00 62.75 61.90 3h0l n ILE 37 Cb 0.07 0.31 0.00 0.00 -1.74 0.00 0.00 39.64 38.29 3h0l n ILE 37 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3h0l n ASP 38 N -0.59 4.84 -0.10 7.28 8.00 -1.16 -4.29 116.55 130.54 3h0l n ASP 38 Ca 0.14 -3.00 0.02 0.00 0.71 0.00 0.00 54.79 52.66 3h0l n ASP 38 Cb 0.33 -1.54 -0.00 0.00 -0.02 0.00 0.00 41.12 39.89 3h0l n ASP 38 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3h0l n GLN 39 N 4.60 2.79 0.18 -1.24 1.13 -1.26 -4.82 117.38 118.75 3h0l n GLN 39 Ca 0.46 -0.38 0.10 0.00 -1.94 0.00 0.00 57.00 55.24 3h0l n GLN 39 Cb 0.36 -0.89 0.11 0.00 0.11 0.00 0.00 30.24 29.93 3h0l n GLN 39 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3h0l h LEU 40 N 0.47 0.00 -1.52 1.08 3.38 -1.98 -3.29 115.31 113.44 3h0l h LEU 40 Ca 0.00 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.12 3h0l h LEU 40 Cb 0.16 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.85 3h0l h LEU 40 CO 0.00 0.11 0.52 0.11 0.09 0.00 0.00 178.44 179.28 3h0l h LYS 41 N 0.00 0.45 -0.09 1.13 1.57 -1.95 -1.41 116.57 116.27 3h0l h LYS 41 Ca -0.01 -0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3h0l h LYS 41 Cb 1.09 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.30 3h0l h LYS 41 CO 0.01 0.30 0.09 0.93 -0.57 0.00 0.00 179.45 180.21 3h0l h GLU 42 N 0.46 0.00 -6.25 3.15 5.08 -1.96 -3.42 114.58 111.64 3h0l h GLU 42 Ca 0.39 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 58.18 3h0l h GLU 42 Cb 0.85 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.06 3h0l h GLU 42 CO -0.14 0.00 -0.09 -0.51 -1.00 0.00 0.00 179.01 177.27 3h0l s LEU 43 N -7.78 4.41 -0.22 1.33 1.43 -0.53 -5.05 118.68 112.26 3h0l s LEU 43 Ca -0.05 1.10 -0.21 0.00 -1.03 0.00 0.00 54.13 53.94 3h0l s LEU 43 Cb 0.15 -3.06 -0.02 0.00 0.03 0.00 0.00 46.19 43.29 3h0l s LEU 43 CO 0.56 0.18 0.64 -0.62 0.23 0.00 0.00 176.35 177.34 3h0l s ASP 44 N -1.47 6.66 0.00 2.29 2.15 -1.26 -4.91 116.67 120.12 3h0l s ASP 44 Ca 0.33 0.80 0.00 0.00 0.43 0.00 0.00 52.55 54.11 3h0l s ASP 44 Cb -0.16 -2.35 0.00 0.00 -0.30 0.00 0.00 42.92 40.11 3h0l s ASP 44 CO 0.18 -0.32 0.69 0.35 -0.17 0.00 0.00 175.17 175.90 3h0l n THR 45 N 4.90 0.40 -1.77 1.71 -2.24 -1.26 -4.87 114.28 111.15 3h0l n THR 45 Ca -0.01 -0.41 -0.41 0.00 -2.27 0.00 0.00 64.05 60.95 3h0l n THR 45 Cb 0.49 0.82 -0.01 0.00 -2.10 0.00 0.00 70.33 69.53 3h0l n THR 45 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3h0l s GLU 46 N -0.40 4.10 -0.33 -0.78 2.02 -1.26 -2.03 118.70 120.02 3h0l s GLU 46 Ca 0.00 2.60 0.00 0.00 0.02 0.00 0.00 54.97 57.59 3h0l s GLU 46 Cb 0.00 -2.99 0.00 0.00 0.10 0.00 0.00 34.13 31.24 3h0l s GLU 46 CO 0.00 -0.61 0.00 0.09 0.02 0.00 0.00 175.26 174.76 3h0l n ASN 47 N 1.39 -4.07 -4.31 -0.19 3.02 -1.26 -5.00 115.26 104.83 3h0l n ASN 47 Ca 0.05 0.08 -0.33 0.00 -0.03 0.00 0.00 54.58 54.35 3h0l n ASN 47 Cb 0.38 -1.84 -0.15 0.00 -0.61 0.00 0.00 39.78 37.55 3h0l n ASN 47 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3h0l s VAL 48 N -1.88 2.70 0.07 2.41 1.01 -0.86 -5.11 120.40 118.73 3h0l s VAL 48 Ca 0.00 -0.78 -0.27 0.00 0.00 0.00 0.00 61.98 60.93 3h0l s VAL 48 Cb 0.00 -2.11 -0.05 0.00 0.00 0.00 0.00 36.38 34.21 3h0l s VAL 48 CO 0.00 0.53 0.86 -1.61 0.00 0.00 0.00 175.10 174.88 3h0l s GLU 49 N 0.44 4.58 0.44 2.72 0.41 -1.26 -5.02 118.70 121.01 3h0l s GLU 49 Ca -0.12 1.24 -0.24 0.00 -0.41 0.00 0.00 54.97 55.44 3h0l s GLU 49 Cb -0.16 -3.38 -0.10 0.00 -1.78 0.00 0.00 34.13 28.71 3h0l s GLU 49 CO 0.06 0.23 1.07 -0.35 -0.49 0.00 0.00 175.26 175.78 3h0l n PRO 50 N 2.88 1.44 -1.79 0.39 -0.04 -1.26 -4.88 135.00 131.74 3h0l n PRO 50 Ca -0.00 0.52 -0.42 0.00 -0.04 0.00 0.00 63.50 63.56 3h0l n PRO 50 Cb 0.50 -2.14 -0.03 0.00 -0.04 0.00 0.00 33.50 31.79 3h0l n PRO 50 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3h0l s TYR 51 N -1.28 2.22 0.08 0.54 5.04 -1.26 -5.03 117.35 117.66 3h0l s TYR 51 Ca 0.64 0.09 0.06 0.00 -2.44 0.00 0.00 57.07 55.41 3h0l s TYR 51 Cb -0.53 -4.11 -0.03 0.00 0.35 0.00 0.00 41.96 37.64 3h0l s TYR 51 CO 0.56 -4.54 -0.15 0.42 -1.34 0.00 0.00 175.55 170.49 3h0l s ILE 52 N 2.73 1.23 0.50 3.14 1.01 -1.26 -5.13 121.20 123.42 3h0l s ILE 52 Ca 0.79 -1.36 -0.22 0.00 0.00 0.00 0.00 60.65 59.86 3h0l s ILE 52 Cb -0.44 -1.17 -0.06 0.00 0.01 0.00 0.00 42.46 40.80 3h0l s ILE 52 CO 0.35 -0.20 1.19 0.00 0.00 0.00 0.00 174.94 176.28 3h0l s GLN 53 N -1.79 3.53 0.37 2.79 -2.07 -1.26 -4.99 119.66 116.24 3h0l s GLN 53 Ca -0.00 1.81 -0.27 0.00 -1.82 0.00 0.00 55.36 55.08 3h0l s GLN 53 Cb -0.10 -2.27 -0.09 0.00 -1.09 0.00 0.00 33.01 29.46 3h0l s GLN 53 CO 0.03 -0.75 1.19 -1.21 -1.32 0.00 0.00 175.29 173.22 3h0l s GLU 54 N -2.89 4.22 -0.13 9.60 2.02 -1.26 -5.04 118.70 125.21 3h0l s GLU 54 Ca 0.68 1.91 -0.28 0.00 0.02 0.00 0.00 54.97 57.29 3h0l s GLU 54 Cb -0.29 -2.84 0.07 0.00 0.10 0.00 0.00 34.13 31.16 3h0l s GLU 54 CO 0.35 -0.20 0.69 -0.59 0.02 0.00 0.00 175.26 175.52 3h0l s PHE 55 N -1.32 -0.70 -0.13 1.61 -0.71 -1.26 -5.09 117.98 110.39 3h0l s PHE 55 Ca 0.53 1.41 -0.13 0.00 -1.04 0.00 0.00 56.93 57.70 3h0l s PHE 55 Cb -0.33 0.35 -0.11 0.00 -1.21 0.00 0.00 43.02 41.72 3h0l s PHE 55 CO 0.42 -0.52 0.28 1.49 -1.34 0.00 0.00 175.22 175.55 3h0l h GLU 56 N 3.76 0.00 -6.06 1.99 4.57 -2.07 -3.47 114.58 113.29 3h0l h GLU 56 Ca -0.28 0.00 -0.54 0.00 -1.18 0.00 0.00 59.36 57.36 3h0l h GLU 56 Cb 1.15 0.00 -0.20 0.00 -0.16 0.00 0.00 28.75 29.54 3h0l h GLU 56 CO 0.27 0.45 -0.81 -1.21 -1.18 0.00 0.00 179.01 176.53 3h0l s GLU 57 N -1.93 1.20 0.00 1.92 2.02 -1.26 -5.10 118.70 115.55 3h0l s GLU 57 Ca -0.11 -1.28 -0.30 0.00 0.02 0.00 0.00 54.97 53.30 3h0l s GLU 57 Cb -0.00 -1.37 -0.07 0.00 0.10 0.00 0.00 34.13 32.79 3h0l s GLU 57 CO 0.32 0.30 1.76 0.99 0.02 0.00 0.00 175.26 178.65 3h0l s THR 58 N -1.59 3.26 -0.05 3.63 2.01 -1.26 -4.95 115.64 116.69 3h0l s THR 58 Ca 0.11 0.42 -0.30 0.00 0.31 0.00 0.00 61.69 62.23 3h0l s THR 58 Cb -0.08 -3.27 -0.09 0.00 0.01 0.00 0.00 72.50 69.07 3h0l s THR 58 CO 0.05 -0.03 2.03 -0.81 -0.69 0.00 0.00 174.62 175.17 3h0l n PRO 59 N 6.93 2.50 -4.40 4.92 -0.04 -1.26 -5.00 135.00 138.66 3h0l n PRO 59 Ca 0.18 0.87 -0.20 0.00 -0.04 0.00 0.00 63.50 64.31 3h0l n PRO 59 Cb 0.42 -2.99 -0.10 0.00 -0.04 0.00 0.00 33.50 30.78 3h0l n PRO 59 CO 0.00 0.00 0.00 -1.64 -0.04 0.00 0.00 175.50 173.82 3h0l s MET 60 N 4.91 1.53 0.01 0.54 -1.94 -1.26 -5.15 119.30 117.93 3h0l s MET 60 Ca 0.93 -1.82 0.03 0.00 -1.71 0.00 0.00 55.69 53.12 3h0l s MET 60 Cb -0.46 -0.74 -0.01 0.00 2.01 0.00 0.00 34.83 35.62 3h0l s MET 60 CO 0.42 -0.16 -0.10 0.50 -0.01 0.00 0.00 175.02 175.67 3h0l s ARG 61 N -3.89 0.77 0.62 2.03 3.52 -1.26 -5.13 118.95 115.61 3h0l s ARG 61 Ca 0.34 -0.47 -0.18 0.00 -0.13 0.00 0.00 55.73 55.29 3h0l s ARG 61 Cb 0.07 -0.73 -0.02 0.00 -1.56 0.00 0.00 34.95 32.72 3h0l s ARG 61 CO 0.13 0.19 1.22 -1.21 -0.81 0.00 0.00 175.30 174.83 3h0l s GLU 62 N -0.57 2.77 -1.52 5.12 0.41 -1.26 -4.91 118.70 118.74 3h0l s GLU 62 Ca 0.02 1.86 -0.12 0.00 -0.41 0.00 0.00 54.97 56.32 3h0l s GLU 62 Cb -0.05 -1.90 -0.01 0.00 -1.78 0.00 0.00 34.13 30.39 3h0l s GLU 62 CO 0.00 -1.37 2.52 -3.47 -0.49 0.00 0.00 175.26 172.45 3h0l n ASP 63 N -1.82 6.01 -4.09 -0.19 2.03 -1.26 -4.87 116.55 112.35 3h0l n ASP 63 Ca 0.14 -2.75 -0.29 0.00 0.52 0.00 0.00 54.79 52.41 3h0l n ASP 63 Cb 0.49 -1.61 -0.17 0.00 -0.72 0.00 0.00 41.12 39.12 3h0l n ASP 63 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3h0l s GLU 64 N 2.58 2.37 0.29 -0.67 2.02 -1.26 -5.12 118.70 118.91 3h0l s GLU 64 Ca 0.56 -0.62 -0.30 0.00 0.02 0.00 0.00 54.97 54.63 3h0l s GLU 64 Cb 0.16 -1.94 -0.13 0.00 0.10 0.00 0.00 34.13 32.32 3h0l s GLU 64 CO -0.07 -0.00 1.37 -2.30 0.02 0.00 0.00 175.26 174.28 3h0l n PRO 65 N 4.01 2.15 -4.33 0.39 -0.02 -1.26 -5.04 135.00 130.90 3h0l n PRO 65 Ca -0.20 0.76 -0.31 0.00 -2.02 0.00 0.00 63.50 61.74 3h0l n PRO 65 Cb 0.52 -2.40 -0.10 0.00 -0.02 0.00 0.00 33.50 31.50 3h0l n PRO 65 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 3h0l s HIS 66 N -0.55 2.82 -0.02 6.00 3.76 -1.26 -5.07 115.29 120.97 3h0l s HIS 66 Ca 0.62 -0.10 -0.33 0.00 -0.15 0.00 0.00 55.06 55.09 3h0l s HIS 66 Cb -0.59 -1.51 -0.12 0.00 1.11 0.00 0.00 32.58 31.47 3h0l s HIS 66 CO 0.56 0.40 1.84 -2.30 -0.85 0.00 0.00 174.74 174.39 3h0l n PRO 67 N 1.05 2.29 -0.92 8.40 -0.02 -1.26 -4.96 135.00 139.58 3h0l n PRO 67 Ca -0.14 0.84 -0.29 0.00 -2.02 0.00 0.00 63.50 61.89 3h0l n PRO 67 Cb 0.52 -2.68 0.20 0.00 -0.02 0.00 0.00 33.50 31.52 3h0l n PRO 67 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3h0l s SER 68 N 3.49 1.99 0.29 2.55 0.01 -1.26 -5.01 113.70 115.77 3h0l s SER 68 Ca 0.89 1.34 -0.29 0.00 1.31 0.00 0.00 55.95 59.21 3h0l s SER 68 Cb -0.65 -2.05 -0.09 0.00 0.21 0.00 0.00 66.02 63.43 3h0l s SER 68 CO 0.47 -3.55 1.09 -0.22 0.41 0.00 0.00 173.24 171.44 3h0l s LEU 69 N -6.76 4.50 0.18 2.44 2.96 -1.26 -4.97 118.68 115.78 3h0l s LEU 69 Ca 0.66 2.24 -0.32 0.00 -0.22 0.00 0.00 54.13 56.49 3h0l s LEU 69 Cb -0.21 -3.70 -0.12 0.00 0.50 0.00 0.00 46.19 42.67 3h0l s LEU 69 CO 0.60 -0.18 1.75 -0.67 -1.32 0.00 0.00 176.35 176.53 3h0l n ASP 70 N 1.04 3.97 0.00 3.68 2.03 -1.26 -4.83 116.55 121.18 3h0l n ASP 70 Ca -0.00 1.04 0.16 0.00 0.52 0.00 0.00 54.79 56.51 3h0l n ASP 70 Cb 0.45 -1.56 0.63 0.00 -0.72 0.00 0.00 41.12 39.92 3h0l n ASP 70 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 3h0l h ARG 71 N 7.22 0.12 -0.46 -0.67 2.43 -1.98 -0.36 114.38 120.68 3h0l h ARG 71 Ca -0.44 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 58.63 3h0l h ARG 71 Cb 1.21 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.72 3h0l h ARG 71 CO 0.95 0.08 -0.06 1.49 -1.51 0.00 0.00 179.97 180.92 3h0l h GLU 72 N 0.13 0.86 -0.02 0.20 4.81 -1.98 -1.49 114.58 117.08 3h0l h GLU 72 Ca 0.24 -0.31 -0.10 0.00 -0.13 0.00 0.00 59.36 59.06 3h0l h GLU 72 Cb 0.77 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.07 3h0l h GLU 72 CO -0.03 0.94 -0.47 0.87 -0.73 0.00 0.00 179.01 179.59 3h0l h LYS 73 N 0.71 0.04 0.00 1.92 1.57 -1.51 0.23 116.57 119.52 3h0l h LYS 73 Ca 0.12 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.79 3h0l h LYS 73 Cb 0.59 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 3h0l h LYS 73 CO 0.04 0.50 -0.45 0.00 -0.57 0.00 0.00 179.45 178.97 3h0l h ALA 74 N 1.50 1.13 0.00 3.86 0.00 -0.88 -3.32 119.26 121.54 3h0l h ALA 74 Ca -0.00 -0.41 -0.14 0.00 0.00 0.00 0.00 54.91 54.36 3h0l h ALA 74 Cb 0.84 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.54 3h0l h ALA 74 CO 0.06 0.56 -1.93 1.28 0.00 0.00 0.00 179.25 179.23 3h0l n LEU 75 N -3.82 0.00 -0.36 0.00 7.99 -0.58 -4.68 117.00 115.55 3h0l n LEU 75 Ca -0.01 0.00 0.34 0.00 -0.01 0.00 0.00 56.01 56.33 3h0l n LEU 75 Cb 0.50 0.19 0.61 0.00 -0.11 0.00 0.00 43.42 44.61 3h0l n LEU 75 CO 0.39 0.19 1.09 1.15 -1.51 0.00 0.00 177.39 178.70 3h0l n MET 76 N -2.33 -0.05 0.00 3.23 0.00 0.79 -0.11 117.12 118.65 3h0l n MET 76 Ca -0.14 1.33 0.13 0.00 0.00 0.00 0.00 57.70 59.02 3h0l n MET 76 Cb 0.72 -2.45 0.48 0.00 0.00 0.00 0.00 33.22 31.97 3h0l n MET 76 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 175.97 176.06 3h0l n ASN 77 N -5.08 0.56 -4.69 3.17 3.02 -1.26 -4.94 115.26 106.04 3h0l n ASN 77 Ca 0.38 -0.46 -0.42 0.00 -0.03 0.00 0.00 54.58 54.05 3h0l n ASN 77 Cb 1.35 -0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 40.49 3h0l n ASN 77 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h0l s ALA 78 N -2.65 3.65 0.31 5.41 0.00 0.85 -4.91 121.76 124.42 3h0l s ALA 78 Ca 0.22 1.10 0.08 0.00 0.00 0.00 0.00 51.96 53.37 3h0l s ALA 78 Cb 0.19 -3.64 0.88 0.00 0.00 0.00 0.00 23.12 20.55 3h0l s ALA 78 CO 0.54 -0.97 1.67 -1.35 0.00 0.00 0.00 175.76 175.65 3h0l h PRO 79 N 7.91 0.33 -2.89 0.00 0.11 -1.92 -3.40 132.00 132.15 3h0l h PRO 79 Ca -0.41 -0.02 -0.19 0.00 0.11 0.00 0.00 66.00 65.49 3h0l h PRO 79 Cb 1.19 -0.08 -0.30 0.00 0.11 0.00 0.00 31.00 31.93 3h0l h PRO 79 CO 0.91 0.22 -0.48 -2.00 -0.21 0.00 0.00 178.00 176.45 3h0l s GLU 80 N -5.80 0.21 0.12 1.05 2.12 -1.26 -5.10 118.70 110.04 3h0l s GLU 80 Ca -0.11 0.67 0.07 0.00 0.36 0.00 0.00 54.97 55.97 3h0l s GLU 80 Cb 0.28 -0.05 -0.04 0.00 0.26 0.00 0.00 34.13 34.58 3h0l s GLU 80 CO 0.78 -0.22 -0.18 -0.98 -0.54 0.00 0.00 175.26 174.13 3h0l s ARG 81 N 1.81 1.10 -0.15 4.30 1.70 -1.26 -0.69 118.95 125.76 3h0l s ARG 81 Ca -0.05 -1.22 -0.07 0.00 -0.47 0.00 0.00 55.73 53.93 3h0l s ARG 81 Cb -0.11 -1.17 0.07 0.00 -0.57 0.00 0.00 34.95 33.16 3h0l s ARG 81 CO -0.09 0.25 0.34 0.21 -1.08 0.00 0.00 175.30 174.93 3h0l s LYS 82 N -2.31 0.27 -1.22 3.89 2.20 -0.33 -4.91 119.74 117.32 3h0l s LYS 82 Ca 0.08 0.79 -0.00 0.00 -0.36 0.00 0.00 55.97 56.48 3h0l s LYS 82 Cb -0.08 0.05 0.00 0.00 -1.51 0.00 0.00 37.83 36.29 3h0l s LYS 82 CO 0.04 -0.22 0.03 -0.25 -0.36 0.00 0.00 175.35 174.59 3h0l n ASP 83 N 4.86 -4.37 0.00 1.43 8.00 -1.26 -0.53 116.55 124.68 3h0l n ASP 83 Ca -0.15 0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.47 3h0l n ASP 83 Cb 0.52 -3.68 0.00 0.00 -0.02 0.00 0.00 41.12 37.94 3h0l n ASP 83 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h0l n GLY 84 N -0.88 0.63 3.70 0.44 0.00 -1.26 -5.08 105.19 102.74 3h0l n GLY 84 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 3h0l n GLY 84 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h0l s PHE 85 N -2.43 3.01 0.29 1.61 0.08 0.31 -5.10 117.98 115.76 3h0l s PHE 85 Ca 0.00 -0.01 -0.28 0.00 0.12 0.00 0.00 56.93 56.75 3h0l s PHE 85 Cb 0.00 -1.54 -0.09 0.00 -0.57 0.00 0.00 43.02 40.81 3h0l s PHE 85 CO 0.00 0.49 1.00 -0.06 -0.10 0.00 0.00 175.22 176.54 3h0l s PHE 86 N -1.34 3.74 -0.09 0.36 0.08 -1.26 -1.18 117.98 118.29 3h0l s PHE 86 Ca 0.26 1.80 0.04 0.00 0.12 0.00 0.00 56.93 59.15 3h0l s PHE 86 Cb -0.12 -3.07 -0.01 0.00 -0.57 0.00 0.00 43.02 39.25 3h0l s PHE 86 CO 0.19 0.01 -0.20 0.08 -0.10 0.00 0.00 175.22 175.20 3h0l s VAL 87 N -1.32 2.46 0.17 -0.44 1.01 0.14 -4.85 120.40 117.57 3h0l s VAL 87 Ca 0.46 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.54 3h0l s VAL 87 Cb -0.26 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 3h0l s VAL 87 CO 0.32 0.56 0.04 0.68 0.00 0.00 0.00 175.10 176.70 3h0l s VAL 88 N 0.03 0.43 0.47 2.92 -7.23 -1.26 -4.48 120.40 111.26 3h0l s VAL 88 Ca -0.07 -1.96 -0.24 0.00 -1.81 0.00 0.00 61.98 57.89 3h0l s VAL 88 Cb -0.15 -2.16 -0.07 0.00 0.56 0.00 0.00 36.38 34.55 3h0l s VAL 88 CO 0.05 -0.40 1.39 -2.16 -0.31 0.00 0.00 175.10 173.66 3h0l s PRO 89 N -3.99 3.60 0.31 4.82 0.04 -1.26 -4.88 135.00 133.65 3h0l s PRO 89 Ca 0.26 2.32 -0.26 0.00 0.04 0.00 0.00 61.00 63.36 3h0l s PRO 89 Cb 0.07 -2.57 -0.14 0.00 0.04 0.00 0.00 34.50 31.89 3h0l s PRO 89 CO 0.04 -0.85 0.72 -2.13 0.04 0.00 0.00 177.00 174.83 3h0l n ARG 90 N -0.35 0.74 -4.19 4.56 0.63 -1.26 -5.02 116.66 111.77 3h0l n ARG 90 Ca 0.06 0.26 -0.30 0.00 -0.92 0.00 0.00 57.85 56.96 3h0l n ARG 90 Cb 0.43 -1.52 -0.09 0.00 0.45 0.00 0.00 32.46 31.73 3h0l n ARG 90 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 3h0l s VAL 91 N -1.19 3.58 -2.24 5.15 -7.23 -1.26 -5.33 120.40 111.88 3h0l s VAL 91 Ca 0.61 -1.19 0.30 0.00 -1.81 0.00 0.00 61.98 59.90 3h0l s VAL 91 Cb -0.72 -2.69 0.74 0.00 0.56 0.00 0.00 36.38 34.26 3h0l s VAL 91 CO 0.58 0.11 2.00 0.55 -0.31 0.00 0.00 175.10 178.03