#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 -2.60 -0.12 6.55 9.92 -1.26 -4.88 116.55 124.16 3h0l n ASP 3 Ca 0.00 0.32 -0.10 0.00 -0.53 0.00 0.00 54.79 54.48 3h0l n ASP 3 Cb 0.00 -1.15 -0.02 0.00 -0.64 0.00 0.00 41.12 39.31 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 -1.45 0.58 -0.82 -1.24 2.43 -2.00 -3.01 114.38 108.87 3h0l h ARG 4 Ca -0.44 -0.15 0.16 0.00 -0.81 0.00 0.00 59.98 58.74 3h0l h ARG 4 Cb 1.29 -0.07 -0.10 0.00 -0.42 0.00 0.00 29.97 30.67 3h0l h ARG 4 CO 0.33 0.65 0.37 1.49 -1.51 0.00 0.00 179.97 181.30 3h0l h GLU 5 N 0.41 0.48 -0.06 0.20 4.81 -1.99 -1.33 114.58 117.10 3h0l h GLU 5 Ca 0.11 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 3h0l h GLU 5 Cb 0.35 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.62 3h0l h GLU 5 CO 0.01 0.32 -0.00 2.35 -0.73 0.00 0.00 179.01 180.95 3h0l h TRP 6 N 0.50 0.12 -0.60 0.92 7.01 -1.90 -1.15 115.95 120.85 3h0l h TRP 6 Ca 0.46 -0.02 0.07 0.00 2.11 0.00 0.00 58.89 61.51 3h0l h TRP 6 Cb 0.73 -0.03 -0.06 0.00 -2.10 0.00 0.00 29.16 27.69 3h0l h TRP 6 CO -0.14 0.40 0.27 0.28 -2.79 0.00 0.00 178.44 176.46 3h0l h VAL 7 N -0.18 0.86 -0.62 2.65 2.07 -1.30 0.11 116.25 119.84 3h0l h VAL 7 Ca 0.02 -0.17 -0.09 0.00 0.82 0.00 0.00 66.70 67.28 3h0l h VAL 7 Cb 0.35 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 3h0l h VAL 7 CO 0.00 0.09 0.05 -0.07 0.02 0.00 0.00 177.57 177.66 3h0l h LEU 8 N 0.49 1.02 -0.25 2.57 3.38 -1.14 -1.13 115.31 120.24 3h0l h LEU 8 Ca 0.29 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 3h0l h LEU 8 Cb 0.28 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3h0l h LEU 8 CO -0.24 1.05 0.04 0.50 0.09 0.00 0.00 178.44 179.88 3h0l h LYS 9 N 0.98 0.41 -0.49 1.13 3.64 -0.59 -1.70 116.57 119.95 3h0l h LYS 9 Ca 0.18 -0.11 -0.10 0.00 -1.27 0.00 0.00 60.65 59.35 3h0l h LYS 9 Cb 0.49 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.25 3h0l h LYS 9 CO 0.02 0.54 -0.09 0.82 -2.27 0.00 0.00 179.45 178.46 3h0l h ILE 10 N 0.22 1.27 -0.30 2.00 1.08 -0.94 -2.59 117.51 118.25 3h0l h ILE 10 Ca 0.08 -1.22 -0.05 0.00 -0.39 0.00 0.00 64.86 63.27 3h0l h ILE 10 Cb 0.32 1.05 -0.02 0.00 -3.07 0.00 0.00 36.82 35.11 3h0l h ILE 10 CO 0.00 0.43 -0.02 0.00 -0.69 0.00 0.00 178.15 177.87 3h0l h ALA 11 N 0.90 1.41 -0.19 1.87 0.00 -1.17 -2.28 119.26 119.80 3h0l h ALA 11 Ca 0.13 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 3h0l h ALA 11 Cb 0.65 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3h0l h ALA 11 CO 0.04 0.42 0.00 -0.22 0.00 0.00 0.00 179.25 179.49 3h0l h LYS 12 N 0.45 0.33 -0.76 0.00 3.64 -1.10 0.17 116.57 119.30 3h0l h LYS 12 Ca 0.10 -0.10 0.06 0.00 -1.27 0.00 0.00 60.65 59.43 3h0l h LYS 12 Cb 0.33 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 32.07 3h0l h LYS 12 CO 0.01 0.53 0.50 -0.07 -2.27 0.00 0.00 179.45 178.15 3h0l h LEU 13 N 0.08 0.72 -0.82 5.20 3.38 -1.14 -1.79 115.31 120.94 3h0l h LEU 13 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3h0l h LEU 13 Cb 0.39 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3h0l h LEU 13 CO 0.01 0.47 -0.08 0.00 0.09 0.00 0.00 178.44 178.93 3h0l n ALA 14 N -2.44 2.73 -3.61 1.53 0.00 -0.89 -4.97 120.51 112.87 3h0l n ALA 14 Ca 0.11 -0.43 -0.25 0.00 0.00 0.00 0.00 53.44 52.87 3h0l n ALA 14 Cb 0.21 -1.16 0.04 0.00 0.00 0.00 0.00 19.45 18.54 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 -0.08 -2.69 -4.00 0.00 5.12 -0.26 -5.01 116.66 109.74 3h0l n ARG 15 Ca 0.17 0.59 -0.34 0.00 -1.93 0.00 0.00 57.85 56.34 3h0l n ARG 15 Cb 0.35 -4.83 -0.15 0.00 -1.16 0.00 0.00 32.46 26.68 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 -6.33 2.61 -0.89 0.55 1.43 0.42 -5.03 118.68 111.44 3h0l s LEU 16 Ca 0.30 -0.55 -0.19 0.00 -1.03 0.00 0.00 54.13 52.66 3h0l s LEU 16 Cb -0.09 -1.62 0.12 0.00 0.03 0.00 0.00 46.19 44.63 3h0l s LEU 16 CO 0.82 -0.02 1.10 -0.70 0.23 0.00 0.00 176.35 177.78 3h0l s GLU 17 N 1.38 3.53 0.26 1.70 2.12 -1.26 -4.39 118.70 122.05 3h0l s GLU 17 Ca 0.05 -1.64 -0.30 0.00 0.36 0.00 0.00 54.97 53.44 3h0l s GLU 17 Cb -0.14 -4.82 -0.10 0.00 0.26 0.00 0.00 34.13 29.33 3h0l s GLU 17 CO -0.07 -1.77 1.31 -0.51 -0.54 0.00 0.00 175.26 173.68 3h0l s LEU 18 N 2.85 4.43 0.52 2.70 1.43 -1.26 -5.01 118.68 124.33 3h0l s LEU 18 Ca 0.31 2.55 -0.18 0.00 -1.03 0.00 0.00 54.13 55.77 3h0l s LEU 18 Cb -0.07 -3.63 -0.07 0.00 0.03 0.00 0.00 46.19 42.45 3h0l s LEU 18 CO -0.07 -0.53 1.03 -0.54 0.23 0.00 0.00 176.35 176.47 3h0l s LYS 19 N -0.91 3.71 0.38 1.70 1.02 -1.26 -4.87 119.74 119.51 3h0l s LYS 19 Ca 0.53 1.21 0.11 0.00 0.02 0.00 0.00 55.97 57.85 3h0l s LYS 19 Cb -0.38 -2.09 0.90 0.00 -0.52 0.00 0.00 37.83 35.74 3h0l s LYS 19 CO 0.45 -0.49 1.88 1.49 -0.92 0.00 0.00 175.35 177.76 3h0l h GLU 20 N 1.11 0.58 -0.83 1.68 4.57 -2.01 -0.02 114.58 119.66 3h0l h GLU 20 Ca -0.48 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.66 3h0l h GLU 20 Cb 1.21 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 29.63 3h0l h GLU 20 CO 0.59 0.38 0.52 0.93 -1.18 0.00 0.00 179.01 180.25 3h0l h GLU 21 N 0.60 1.12 -0.21 1.92 3.07 -2.01 -3.20 114.58 115.86 3h0l h GLU 21 Ca 0.43 -0.09 -0.09 0.00 -0.50 0.00 0.00 59.36 59.11 3h0l h GLU 21 Cb 0.78 -0.24 -0.00 0.00 -0.84 0.00 0.00 28.75 28.45 3h0l h GLU 21 CO -0.18 0.77 -0.20 0.93 -1.40 0.00 0.00 179.01 178.92 3h0l h GLU 22 N 1.14 0.51 -0.88 2.33 5.08 -1.39 -2.84 114.58 118.53 3h0l h GLU 22 Ca 0.30 -0.27 0.20 0.00 -1.00 0.00 0.00 59.36 58.59 3h0l h GLU 22 Cb -0.08 0.01 -0.12 0.00 0.50 0.00 0.00 28.75 29.07 3h0l h GLU 22 CO -0.06 0.85 0.40 0.82 -1.00 0.00 0.00 179.01 180.02 3h0l h ILE 23 N 0.19 0.54 -0.10 3.13 2.04 -1.45 0.32 117.51 122.19 3h0l h ILE 23 Ca 0.03 -0.16 -0.08 0.00 1.00 0.00 0.00 64.86 65.66 3h0l h ILE 23 Cb 0.75 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.87 3h0l h ILE 23 CO 0.05 0.08 -0.24 -0.08 0.00 0.00 0.00 178.15 177.96 3h0l h GLU 24 N 0.46 0.34 -0.24 2.37 4.81 -1.55 -2.62 114.58 118.16 3h0l h GLU 24 Ca 0.53 -0.24 -0.04 0.00 -0.13 0.00 0.00 59.36 59.49 3h0l h GLU 24 Cb 0.95 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 3h0l h GLU 24 CO -0.48 0.84 -0.01 0.28 -0.73 0.00 0.00 179.01 178.91 3h0l h VAL 25 N -0.10 1.26 0.00 0.32 2.07 -1.20 -2.96 116.25 115.63 3h0l h VAL 25 Ca -0.00 -0.91 0.00 0.00 0.82 0.00 0.00 66.70 66.60 3h0l h VAL 25 Cb 0.85 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 3h0l h VAL 25 CO 0.05 0.29 0.00 -0.26 0.02 0.00 0.00 177.57 177.67 3h0l h PHE 26 N 0.20 0.00 -0.07 1.57 0.04 -0.44 -1.00 116.94 117.23 3h0l h PHE 26 Ca 0.07 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.83 3h0l h PHE 26 Cb 0.42 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.57 3h0l h PHE 26 CO 0.04 0.00 0.01 1.96 -0.60 0.00 0.00 178.31 179.72 3h0l h GLN 27 N 0.00 0.12 0.01 1.51 4.20 -1.29 -2.15 115.11 117.50 3h0l h GLN 27 Ca 0.00 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.68 3h0l h GLN 27 Cb 0.37 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.13 3h0l h GLN 27 CO 0.00 0.33 -0.00 -0.22 -0.67 0.00 0.00 178.83 178.27 3h0l h LYS 28 N -0.12 -0.01 -0.20 1.46 3.64 -1.44 -2.76 116.57 117.14 3h0l h LYS 28 Ca 0.02 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 3h0l h LYS 28 Cb 0.27 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.07 3h0l h LYS 28 CO 0.00 0.54 0.06 1.96 -2.27 0.00 0.00 179.45 179.74 3h0l h GLN 29 N -0.56 0.14 -0.38 1.90 4.20 -1.30 -0.91 115.11 118.19 3h0l h GLN 29 Ca -0.00 -0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.57 3h0l h GLN 29 Cb 0.56 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.29 3h0l h GLN 29 CO 0.00 0.09 -0.27 -0.07 -0.67 0.00 0.00 178.83 177.91 3h0l h LEU 30 N 0.14 0.83 -0.40 1.46 3.38 -1.51 -0.41 115.31 118.80 3h0l h LEU 30 Ca 0.09 -0.32 0.05 0.00 0.09 0.00 0.00 57.88 57.78 3h0l h LEU 30 Cb 0.07 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 40.54 3h0l h LEU 30 CO -0.10 1.05 0.14 0.28 0.09 0.00 0.00 178.44 179.90 3h0l h SER 31 N 0.69 0.14 -0.17 -0.43 0.02 -1.31 0.17 113.55 112.67 3h0l h SER 31 Ca 0.08 0.05 -0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3h0l h SER 31 Cb 0.81 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 63.37 3h0l h SER 31 CO 0.07 0.12 0.10 0.44 -1.14 0.00 0.00 176.83 176.41 3h0l h ASP 32 N 0.30 0.21 -0.76 3.07 3.32 -0.83 -1.40 116.42 120.33 3h0l h ASP 32 Ca 0.19 -0.07 -0.00 0.00 0.02 0.00 0.00 57.03 57.16 3h0l h ASP 32 Cb 0.17 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.63 3h0l h ASP 32 CO -0.19 0.22 0.45 0.40 -1.72 0.00 0.00 179.24 178.40 3h0l h ILE 33 N 0.18 1.21 -0.20 0.35 2.04 -0.91 0.12 117.51 120.30 3h0l h ILE 33 Ca 0.06 -0.47 -0.05 0.00 1.00 0.00 0.00 64.86 65.40 3h0l h ILE 33 Cb 0.06 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.29 3h0l h ILE 33 CO -0.01 0.22 -0.10 -0.07 0.00 0.00 0.00 178.15 178.20 3h0l h LEU 34 N 1.03 0.29 -0.35 1.44 4.07 -0.38 -0.61 115.31 120.81 3h0l h LEU 34 Ca 0.27 -0.06 -0.19 0.00 0.08 0.00 0.00 57.88 57.98 3h0l h LEU 34 Cb -0.03 -0.08 0.00 0.00 1.08 0.00 0.00 40.66 41.63 3h0l h LEU 34 CO -0.05 0.43 -0.69 0.44 -1.08 0.00 0.00 178.44 177.48 3h0l h ASP 35 N 0.29 0.70 -0.50 -0.43 3.32 -0.84 -3.18 116.42 115.79 3h0l h ASP 35 Ca 0.06 -0.43 -0.01 0.00 0.02 0.00 0.00 57.03 56.67 3h0l h ASP 35 Cb 0.36 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.68 3h0l h ASP 35 CO 0.02 1.19 0.27 0.15 -1.72 0.00 0.00 179.24 179.14 3h0l h PHE 36 N 0.42 0.69 -0.02 4.55 3.57 0.24 -3.04 116.94 123.36 3h0l h PHE 36 Ca -0.03 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.46 3h0l h PHE 36 Cb 1.28 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.80 3h0l h PHE 36 CO 0.06 0.52 -0.05 0.44 -2.23 0.00 0.00 178.31 177.05 3h0l n ILE 37 N -4.65 0.00 -1.58 1.41 -5.35 -0.34 -4.57 119.36 104.29 3h0l n ILE 37 Ca 0.02 -0.28 -0.40 0.00 -0.27 0.00 0.00 62.75 61.82 3h0l n ILE 37 Cb 0.09 0.67 -0.02 0.00 -1.74 0.00 0.00 39.64 38.65 3h0l n ILE 37 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 3h0l n ASP 38 N 0.26 7.15 -0.08 7.28 2.03 -1.15 -4.33 116.55 127.70 3h0l n ASP 38 Ca 0.17 -2.75 0.03 0.00 0.52 0.00 0.00 54.79 52.76 3h0l n ASP 38 Cb 0.40 -1.56 -0.02 0.00 -0.72 0.00 0.00 41.12 39.22 3h0l n ASP 38 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3h0l n GLN 39 N 4.02 3.47 0.17 -0.67 1.13 -1.26 -4.83 117.38 119.41 3h0l n GLN 39 Ca 0.67 -0.27 0.12 0.00 -1.94 0.00 0.00 57.00 55.58 3h0l n GLN 39 Cb 0.28 -0.91 0.10 0.00 0.11 0.00 0.00 30.24 29.83 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 0.42 0.00 -1.60 1.08 3.38 -1.98 -3.28 115.31 113.32 3h0l h LEU 40 Ca 0.00 -0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.13 3h0l h LEU 40 Cb 0.20 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 3h0l h LEU 40 CO 0.00 0.00 0.51 0.11 0.09 0.00 0.00 178.44 179.15 3h0l h LYS 41 N 0.00 0.37 -0.68 1.13 1.57 -1.95 -1.44 116.57 115.58 3h0l h LYS 41 Ca 0.00 -0.02 0.19 0.00 -1.87 0.00 0.00 60.65 58.95 3h0l h LYS 41 Cb 1.00 -0.08 -0.03 0.00 0.08 0.00 0.00 32.23 33.19 3h0l h LYS 41 CO 0.00 0.24 0.48 0.93 -0.57 0.00 0.00 179.45 180.54 3h0l h GLU 42 N 0.38 0.04 -6.12 3.15 5.08 -1.96 -3.43 114.58 111.73 3h0l h GLU 42 Ca 0.38 -0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 58.14 3h0l h GLU 42 Cb 0.92 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.12 3h0l h GLU 42 CO -0.12 0.03 -0.18 -0.51 -1.00 0.00 0.00 179.01 177.23 3h0l s LEU 43 N -8.74 4.41 -0.26 1.33 1.43 -0.54 -5.06 118.68 111.26 3h0l s LEU 43 Ca -0.05 0.95 -0.22 0.00 -1.03 0.00 0.00 54.13 53.77 3h0l s LEU 43 Cb 0.20 -2.87 -0.01 0.00 0.03 0.00 0.00 46.19 43.55 3h0l s LEU 43 CO 0.75 0.23 0.73 -0.62 0.23 0.00 0.00 176.35 177.67 3h0l s ASP 44 N -1.43 6.68 0.00 2.29 2.15 -1.26 -4.89 116.67 120.21 3h0l s ASP 44 Ca 0.30 0.81 0.00 0.00 0.43 0.00 0.00 52.55 54.09 3h0l s ASP 44 Cb -0.16 -2.39 0.00 0.00 -0.30 0.00 0.00 42.92 40.08 3h0l s ASP 44 CO 0.16 -0.47 0.79 0.35 -0.17 0.00 0.00 175.17 175.83 3h0l n THR 45 N 5.29 0.60 -1.66 1.71 -2.24 -1.26 -4.86 114.28 111.86 3h0l n THR 45 Ca 0.02 -0.60 -0.52 0.00 -2.27 0.00 0.00 64.05 60.68 3h0l n THR 45 Cb 0.48 0.71 -0.06 0.00 -2.10 0.00 0.00 70.33 69.36 3h0l n THR 45 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3h0l n GLU 46 N -0.30 1.45 -1.67 -0.78 -0.58 -1.26 -2.59 120.64 114.91 3h0l n GLU 46 Ca 0.00 0.53 -0.10 0.00 -0.42 0.00 0.00 57.16 57.17 3h0l n GLU 46 Cb 0.34 -2.23 -0.03 0.00 -0.57 0.00 0.00 31.44 28.96 3h0l n GLU 46 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3h0l n ASN 47 N 4.21 -3.78 -4.35 1.62 3.02 -1.26 -5.02 115.26 109.71 3h0l n ASN 47 Ca 0.22 0.13 -0.34 0.00 -0.03 0.00 0.00 54.58 54.56 3h0l n ASN 47 Cb 0.20 -2.53 -0.14 0.00 -0.61 0.00 0.00 39.78 36.70 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 -2.41 3.26 0.05 2.41 1.01 -1.07 -5.11 120.40 118.54 3h0l s VAL 48 Ca 0.00 -0.56 -0.30 0.00 0.00 0.00 0.00 61.98 61.12 3h0l s VAL 48 Cb 0.00 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 3h0l s VAL 48 CO 0.00 0.47 1.08 -1.61 0.00 0.00 0.00 175.10 175.04 3h0l s GLU 49 N 0.92 4.53 0.41 2.72 0.41 -1.26 -5.01 118.70 121.42 3h0l s GLU 49 Ca -0.01 1.59 -0.24 0.00 -0.41 0.00 0.00 54.97 55.89 3h0l s GLU 49 Cb -0.15 -3.39 -0.11 0.00 -1.78 0.00 0.00 34.13 28.70 3h0l s GLU 49 CO 0.00 -0.09 0.95 -0.35 -0.49 0.00 0.00 175.26 175.28 3h0l n PRO 50 N 3.64 1.24 -1.90 0.39 -0.04 -1.26 -4.88 135.00 132.19 3h0l n PRO 50 Ca 0.06 0.45 -0.42 0.00 -0.04 0.00 0.00 63.50 63.55 3h0l n PRO 50 Cb 0.48 -1.96 -0.03 0.00 -0.04 0.00 0.00 33.50 31.96 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 2.62 0.09 0.54 5.04 -1.26 -5.03 117.35 118.07 3h0l s TYR 51 Ca 0.63 0.39 0.06 0.00 -2.44 0.00 0.00 57.07 55.71 3h0l s TYR 51 Cb -0.57 -3.98 -0.03 0.00 0.35 0.00 0.00 41.96 37.73 3h0l s TYR 51 CO 0.57 -3.82 -0.15 0.96 -1.34 0.00 0.00 175.55 171.76 3h0l s ILE 52 N 2.10 1.24 0.50 3.14 -4.36 -1.26 -5.13 121.20 117.44 3h0l s ILE 52 Ca 0.73 -1.42 -0.21 0.00 -0.26 0.00 0.00 60.65 59.49 3h0l s ILE 52 Cb -0.42 -1.23 -0.06 0.00 1.25 0.00 0.00 42.46 41.99 3h0l s ILE 52 CO 0.32 -0.24 1.17 0.00 0.24 0.00 0.00 174.94 176.44 3h0l s GLN 53 N -1.95 3.52 0.33 0.37 -2.07 -1.26 -4.98 119.66 113.62 3h0l s GLN 53 Ca 0.01 1.76 -0.28 0.00 -1.82 0.00 0.00 55.36 55.03 3h0l s GLN 53 Cb -0.09 -2.23 -0.09 0.00 -1.09 0.00 0.00 33.01 29.50 3h0l s GLN 53 CO 0.03 -0.74 1.17 -1.21 -1.32 0.00 0.00 175.29 173.21 3h0l s GLU 54 N -2.95 4.41 -0.09 9.60 2.02 -1.26 -5.04 118.70 125.39 3h0l s GLU 54 Ca 0.68 1.91 -0.27 0.00 0.02 0.00 0.00 54.97 57.31 3h0l s GLU 54 Cb -0.28 -3.01 0.06 0.00 0.10 0.00 0.00 34.13 31.00 3h0l s GLU 54 CO 0.33 -0.03 0.63 -0.59 0.02 0.00 0.00 175.26 175.62 3h0l s PHE 55 N -1.24 -0.62 -0.14 1.61 -0.71 -1.26 -5.09 117.98 110.54 3h0l s PHE 55 Ca 0.49 1.19 -0.13 0.00 -1.04 0.00 0.00 56.93 57.44 3h0l s PHE 55 Cb -0.33 0.34 -0.10 0.00 -1.21 0.00 0.00 43.02 41.71 3h0l s PHE 55 CO 0.43 -0.52 0.19 1.49 -1.34 0.00 0.00 175.22 175.46 3h0l h GLU 56 N 3.60 0.00 -6.10 1.99 4.57 -2.07 -3.48 114.58 113.09 3h0l h GLU 56 Ca -0.28 0.00 -0.55 0.00 -1.18 0.00 0.00 59.36 57.36 3h0l h GLU 56 Cb 1.15 0.00 -0.21 0.00 -0.16 0.00 0.00 28.75 29.53 3h0l h GLU 56 CO 0.32 0.41 -0.81 -1.21 -1.18 0.00 0.00 179.01 176.53 3h0l s GLU 57 N -2.00 1.17 0.02 1.92 2.02 -1.26 -5.10 118.70 115.47 3h0l s GLU 57 Ca -0.13 -1.23 -0.30 0.00 0.02 0.00 0.00 54.97 53.33 3h0l s GLU 57 Cb 0.01 -1.37 -0.08 0.00 0.10 0.00 0.00 34.13 32.79 3h0l s GLU 57 CO 0.32 0.31 1.72 0.99 0.02 0.00 0.00 175.26 178.61 3h0l s THR 58 N -1.42 3.20 -0.01 3.63 2.01 -1.26 -4.95 115.64 116.85 3h0l s THR 58 Ca 0.09 0.46 -0.30 0.00 0.31 0.00 0.00 61.69 62.25 3h0l s THR 58 Cb -0.09 -3.29 -0.08 0.00 0.01 0.00 0.00 72.50 69.05 3h0l s THR 58 CO 0.05 -0.02 1.92 -2.16 -0.69 0.00 0.00 174.62 173.71 3h0l s PRO 59 N 3.46 4.07 0.29 4.92 0.04 -1.26 -5.00 135.00 141.51 3h0l s PRO 59 Ca 0.77 2.46 0.03 0.00 0.04 0.00 0.00 61.00 64.30 3h0l s PRO 59 Cb -0.38 -4.14 -0.06 0.00 0.04 0.00 0.00 34.50 29.96 3h0l s PRO 59 CO 0.33 -1.03 0.08 -1.64 0.04 0.00 0.00 177.00 174.78 3h0l s MET 60 N 4.52 1.54 0.00 4.56 -1.94 -1.26 -5.16 119.30 121.56 3h0l s MET 60 Ca 0.86 -1.84 0.03 0.00 -1.71 0.00 0.00 55.69 53.03 3h0l s MET 60 Cb -0.40 -0.58 -0.01 0.00 2.01 0.00 0.00 34.83 35.86 3h0l s MET 60 CO 0.38 -0.24 -0.11 0.50 -0.01 0.00 0.00 175.02 175.54 3h0l s ARG 61 N -3.96 0.85 0.63 2.03 3.52 -1.26 -5.13 118.95 115.62 3h0l s ARG 61 Ca 0.37 -0.45 -0.18 0.00 -0.13 0.00 0.00 55.73 55.35 3h0l s ARG 61 Cb 0.08 -0.82 -0.02 0.00 -1.56 0.00 0.00 34.95 32.64 3h0l s ARG 61 CO 0.15 0.22 1.19 -1.21 -0.81 0.00 0.00 175.30 174.83 3h0l s GLU 62 N -0.44 2.81 -1.41 5.12 0.41 -1.26 -4.91 118.70 119.03 3h0l s GLU 62 Ca 0.03 1.73 -0.14 0.00 -0.41 0.00 0.00 54.97 56.18 3h0l s GLU 62 Cb -0.05 -1.92 -0.00 0.00 -1.78 0.00 0.00 34.13 30.38 3h0l s GLU 62 CO -0.00 -1.31 2.31 -3.47 -0.49 0.00 0.00 175.26 172.30 3h0l n ASP 63 N -1.91 4.51 -4.04 -0.19 2.03 -1.26 -4.88 116.55 110.80 3h0l n ASP 63 Ca 0.13 -2.77 -0.28 0.00 0.52 0.00 0.00 54.79 52.39 3h0l n ASP 63 Cb 0.50 -1.58 -0.17 0.00 -0.72 0.00 0.00 41.12 39.16 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 3.22 2.11 0.29 -0.67 2.02 -1.26 -5.12 118.70 119.29 3h0l s GLU 64 Ca 0.51 -0.52 -0.30 0.00 0.02 0.00 0.00 54.97 54.68 3h0l s GLU 64 Cb 0.15 -1.81 -0.12 0.00 0.10 0.00 0.00 34.13 32.44 3h0l s GLU 64 CO -0.06 -0.07 1.45 -2.30 0.02 0.00 0.00 175.26 174.29 3h0l n PRO 65 N 4.22 2.31 -4.35 0.39 -0.02 -1.26 -5.03 135.00 131.25 3h0l n PRO 65 Ca -0.19 0.82 -0.31 0.00 -2.02 0.00 0.00 63.50 61.80 3h0l n PRO 65 Cb 0.51 -2.50 -0.10 0.00 -0.02 0.00 0.00 33.50 31.39 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 -0.33 2.82 -0.04 6.00 3.76 -1.26 -5.08 115.29 121.16 3h0l s HIS 66 Ca 0.63 -0.10 -0.34 0.00 -0.15 0.00 0.00 55.06 55.10 3h0l s HIS 66 Cb -0.57 -1.52 -0.12 0.00 1.11 0.00 0.00 32.58 31.47 3h0l s HIS 66 CO 0.53 0.40 1.81 -2.30 -0.85 0.00 0.00 174.74 174.33 3h0l n PRO 67 N 1.10 2.13 -0.93 8.40 -0.02 -1.26 -4.97 135.00 139.46 3h0l n PRO 67 Ca -0.14 0.78 -0.29 0.00 -2.02 0.00 0.00 63.50 61.83 3h0l n PRO 67 Cb 0.52 -2.60 0.19 0.00 -0.02 0.00 0.00 33.50 31.59 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 3.41 2.34 0.30 2.55 0.01 -1.26 -5.00 113.70 116.05 3h0l s SER 68 Ca 0.90 1.48 -0.29 0.00 1.31 0.00 0.00 55.95 59.35 3h0l s SER 68 Cb -0.70 -2.17 -0.10 0.00 0.21 0.00 0.00 66.02 63.26 3h0l s SER 68 CO 0.49 -3.35 1.15 -0.22 0.41 0.00 0.00 173.24 171.73 3h0l s LEU 69 N -6.66 4.49 0.23 2.44 2.96 -1.26 -4.97 118.68 115.91 3h0l s LEU 69 Ca 0.66 2.37 -0.31 0.00 -0.22 0.00 0.00 54.13 56.63 3h0l s LEU 69 Cb -0.21 -3.67 -0.11 0.00 0.50 0.00 0.00 46.19 42.70 3h0l s LEU 69 CO 0.60 -0.27 1.65 -0.62 -1.32 0.00 0.00 176.35 176.38 3h0l s ASP 70 N -0.81 6.42 0.46 3.68 2.15 -1.26 -4.82 116.67 122.49 3h0l s ASP 70 Ca 0.46 2.84 0.17 0.00 0.43 0.00 0.00 52.55 56.45 3h0l s ASP 70 Cb -0.34 -2.61 1.13 0.00 -0.30 0.00 0.00 42.92 40.80 3h0l s ASP 70 CO 0.44 -0.92 1.99 -0.09 -0.17 0.00 0.00 175.17 176.42 3h0l h ARG 71 N 6.16 0.28 -0.57 4.34 2.43 -1.98 -0.30 114.38 124.73 3h0l h ARG 71 Ca -0.44 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 58.62 3h0l h ARG 71 Cb 1.21 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.67 3h0l h ARG 71 CO 0.90 0.19 0.02 1.49 -1.51 0.00 0.00 179.97 181.05 3h0l h GLU 72 N 0.29 0.98 -0.01 0.20 4.81 -1.98 -1.30 114.58 117.58 3h0l h GLU 72 Ca 0.26 -0.29 -0.13 0.00 -0.13 0.00 0.00 59.36 59.07 3h0l h GLU 72 Cb 0.63 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.89 3h0l h GLU 72 CO -0.06 0.96 -0.61 0.87 -0.73 0.00 0.00 179.01 179.44 3h0l h LYS 73 N 0.91 0.03 0.00 1.92 1.57 -1.48 0.18 116.57 119.70 3h0l h LYS 73 Ca 0.17 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.83 3h0l h LYS 73 Cb 0.51 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.80 3h0l h LYS 73 CO 0.02 0.62 -0.49 0.00 -0.57 0.00 0.00 179.45 179.04 3h0l h ALA 74 N 1.37 0.96 0.00 3.86 0.00 -0.90 -3.31 119.26 121.23 3h0l h ALA 74 Ca -0.01 -0.45 -0.14 0.00 0.00 0.00 0.00 54.91 54.32 3h0l h ALA 74 Cb 1.08 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 3h0l h ALA 74 CO 0.08 0.61 -1.97 1.28 0.00 0.00 0.00 179.25 179.26 3h0l n LEU 75 N -3.62 0.00 -0.47 0.00 7.99 -0.52 -4.68 117.00 115.70 3h0l n LEU 75 Ca -0.00 0.00 0.39 0.00 -0.01 0.00 0.00 56.01 56.38 3h0l n LEU 75 Cb 0.57 0.18 0.68 0.00 -0.11 0.00 0.00 43.42 44.75 3h0l n LEU 75 CO 0.39 0.18 1.28 0.00 -1.51 0.00 0.00 177.39 177.74 3h0l h MET 76 N 0.00 0.08 -0.00 3.23 -0.00 -0.73 0.32 114.93 117.83 3h0l h MET 76 Ca -0.20 -0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.49 3h0l h MET 76 Cb 1.36 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 32.95 3h0l h MET 76 CO 0.01 0.05 -0.39 0.09 -0.00 0.00 0.00 176.91 176.67 3h0l n ASN 77 N -4.53 0.66 -4.70 -0.10 3.02 -1.26 -4.94 115.26 103.41 3h0l n ASN 77 Ca 0.37 -0.46 -0.42 0.00 -0.03 0.00 0.00 54.58 54.04 3h0l n ASN 77 Cb 1.49 0.18 -0.03 0.00 -0.61 0.00 0.00 39.78 40.81 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 -2.81 3.70 0.33 5.41 0.00 0.11 -4.91 121.76 123.59 3h0l s ALA 78 Ca 0.16 1.24 0.11 0.00 0.00 0.00 0.00 51.96 53.47 3h0l s ALA 78 Cb 0.18 -3.66 0.98 0.00 0.00 0.00 0.00 23.12 20.62 3h0l s ALA 78 CO 0.63 -0.97 1.66 -1.35 0.00 0.00 0.00 175.76 175.72 3h0l h PRO 79 N 7.77 0.29 -2.76 0.00 0.11 -1.92 -3.40 132.00 132.08 3h0l h PRO 79 Ca -0.42 -0.02 -0.15 0.00 0.11 0.00 0.00 66.00 65.52 3h0l h PRO 79 Cb 1.20 -0.07 -0.29 0.00 0.11 0.00 0.00 31.00 31.96 3h0l h PRO 79 CO 0.92 0.19 -0.40 -2.00 -0.21 0.00 0.00 178.00 176.50 3h0l s GLU 80 N -5.74 0.29 0.11 1.05 2.12 -1.26 -5.09 118.70 110.17 3h0l s GLU 80 Ca -0.11 0.75 0.07 0.00 0.36 0.00 0.00 54.97 56.05 3h0l s GLU 80 Cb 0.29 0.01 -0.04 0.00 0.26 0.00 0.00 34.13 34.65 3h0l s GLU 80 CO 0.78 -0.20 -0.17 -0.98 -0.54 0.00 0.00 175.26 174.16 3h0l s ARG 81 N 1.75 1.05 -0.15 4.30 1.70 -1.26 -0.80 118.95 125.54 3h0l s ARG 81 Ca -0.06 -1.18 -0.07 0.00 -0.47 0.00 0.00 55.73 53.95 3h0l s ARG 81 Cb -0.10 -1.11 0.07 0.00 -0.57 0.00 0.00 34.95 33.24 3h0l s ARG 81 CO -0.11 0.24 0.34 0.21 -1.08 0.00 0.00 175.30 174.90 3h0l s LYS 82 N -2.24 0.27 -1.40 3.89 2.20 -0.28 -4.90 119.74 117.27 3h0l s LYS 82 Ca 0.07 0.79 0.00 0.00 -0.36 0.00 0.00 55.97 56.47 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 0.00 -0.25 -0.36 0.00 0.00 175.35 174.56 3h0l n ASP 83 N 4.88 -4.77 0.00 1.43 8.00 -1.26 -1.01 116.55 123.82 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 -4.03 0.00 0.00 -0.02 0.00 0.00 41.12 37.59 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 -0.86 0.67 3.62 0.44 0.00 -1.26 -5.08 105.19 102.72 3h0l n GLY 84 Ca -0.19 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.31 2.80 0.26 1.61 0.08 -0.18 -5.10 117.98 115.14 3h0l s PHE 85 Ca 0.00 -0.13 -0.30 0.00 0.12 0.00 0.00 56.93 56.62 3h0l s PHE 85 Cb 0.00 -1.44 -0.09 0.00 -0.57 0.00 0.00 43.02 40.92 3h0l s PHE 85 CO 0.00 0.46 1.00 -0.06 -0.10 0.00 0.00 175.22 176.52 3h0l s PHE 86 N -1.35 3.83 -0.13 0.36 0.08 -1.26 -1.13 117.98 118.38 3h0l s PHE 86 Ca 0.24 1.84 0.01 0.00 0.12 0.00 0.00 56.93 59.13 3h0l s PHE 86 Cb -0.11 -3.10 -0.01 0.00 -0.57 0.00 0.00 43.02 39.23 3h0l s PHE 86 CO 0.16 0.07 -0.15 0.08 -0.10 0.00 0.00 175.22 175.27 3h0l s VAL 87 N -1.17 2.81 0.17 -0.44 1.01 0.02 -4.85 120.40 117.95 3h0l s VAL 87 Ca 0.42 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.69 3h0l s VAL 87 Cb -0.28 -2.17 -0.05 0.00 0.00 0.00 0.00 36.38 33.88 3h0l s VAL 87 CO 0.36 0.53 -0.04 0.68 0.00 0.00 0.00 175.10 176.62 3h0l s VAL 88 N 0.44 0.93 0.37 2.92 -7.23 -1.26 -4.49 120.40 112.07 3h0l s VAL 88 Ca -0.11 -2.02 -0.28 0.00 -1.81 0.00 0.00 61.98 57.76 3h0l s VAL 88 Cb -0.16 -2.05 -0.11 0.00 0.56 0.00 0.00 36.38 34.62 3h0l s VAL 88 CO 0.05 -0.57 1.43 -0.81 -0.31 0.00 0.00 175.10 174.90 3h0l n PRO 89 N -0.25 2.52 -1.45 4.82 -0.04 -1.26 -4.87 135.00 134.46 3h0l n PRO 89 Ca -0.08 0.88 -0.49 0.00 -0.04 0.00 0.00 63.50 63.78 3h0l n PRO 89 Cb 0.62 -2.57 -0.03 0.00 -0.04 0.00 0.00 33.50 31.47 3h0l n PRO 89 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 3h0l n ARG 90 N 0.51 0.27 -4.19 0.54 0.63 -1.26 -5.02 116.66 108.15 3h0l n ARG 90 Ca 0.02 0.10 -0.31 0.00 -0.92 0.00 0.00 57.85 56.74 3h0l n ARG 90 Cb 0.38 -1.24 -0.09 0.00 0.45 0.00 0.00 32.46 31.96 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 -0.83 3.91 -2.11 5.15 -7.23 -1.26 -5.33 120.40 112.69 3h0l s VAL 91 Ca 0.67 -0.97 0.31 0.00 -1.81 0.00 0.00 61.98 60.18 3h0l s VAL 91 Cb -0.93 -2.83 0.83 0.00 0.56 0.00 0.00 36.38 34.00 3h0l s VAL 91 CO 0.56 0.17 2.12 0.55 -0.31 0.00 0.00 175.10 178.19