#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 -1.24 -0.12 6.55 9.92 -1.26 -4.88 116.55 125.52 3h0l n ASP 3 Ca 0.00 0.17 -0.12 0.00 -0.53 0.00 0.00 54.79 54.32 3h0l n ASP 3 Cb 0.00 -1.27 -0.03 0.00 -0.64 0.00 0.00 41.12 39.18 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 -2.02 0.69 -0.81 -1.24 2.43 -2.00 -3.01 114.38 108.42 3h0l h ARG 4 Ca -0.49 -0.28 0.16 0.00 -0.81 0.00 0.00 59.98 58.56 3h0l h ARG 4 Cb 1.30 -0.03 -0.10 0.00 -0.42 0.00 0.00 29.97 30.72 3h0l h ARG 4 CO 0.41 0.86 0.36 1.49 -1.51 0.00 0.00 179.97 181.57 3h0l h GLU 5 N 0.47 0.48 0.34 0.20 4.81 -1.99 -1.30 114.58 117.58 3h0l h GLU 5 Ca 0.08 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.27 3h0l h GLU 5 Cb 0.62 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.90 3h0l h GLU 5 CO 0.04 0.31 -0.16 2.35 -0.73 0.00 0.00 179.01 180.82 3h0l h TRP 6 N 0.49 -0.42 -0.54 0.92 7.01 -1.90 -0.90 115.95 120.61 3h0l h TRP 6 Ca 0.45 -0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.51 3h0l h TRP 6 Cb 0.71 0.14 -0.06 0.00 -2.10 0.00 0.00 29.16 27.85 3h0l h TRP 6 CO -0.14 -0.21 0.23 0.28 -2.79 0.00 0.00 178.44 175.80 3h0l h VAL 7 N -0.52 0.86 -0.70 2.65 2.07 -1.30 -0.50 116.25 118.81 3h0l h VAL 7 Ca -0.05 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 3h0l h VAL 7 Cb 0.39 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 3h0l h VAL 7 CO 0.08 0.08 0.32 -0.07 0.02 0.00 0.00 177.57 178.00 3h0l h LEU 8 N 0.43 0.92 -0.39 2.57 3.38 -1.20 -0.88 115.31 120.15 3h0l h LEU 8 Ca 0.25 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3h0l h LEU 8 Cb 0.24 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 3h0l h LEU 8 CO -0.23 0.81 0.15 0.50 0.09 0.00 0.00 178.44 179.76 3h0l h LYS 9 N 0.97 0.59 -0.33 1.13 3.64 -0.51 -1.76 116.57 120.30 3h0l h LYS 9 Ca 0.24 -0.11 -0.18 0.00 -1.27 0.00 0.00 60.65 59.33 3h0l h LYS 9 Cb 0.14 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3h0l h LYS 9 CO -0.03 0.57 -0.49 0.82 -2.27 0.00 0.00 179.45 178.06 3h0l h ILE 10 N 0.48 1.27 -0.33 2.00 1.08 -1.04 -2.74 117.51 118.23 3h0l h ILE 10 Ca 0.13 -1.66 -0.06 0.00 -0.39 0.00 0.00 64.86 62.87 3h0l h ILE 10 Cb 0.21 1.53 -0.02 0.00 -3.07 0.00 0.00 36.82 35.48 3h0l h ILE 10 CO -0.01 0.55 -0.05 0.00 -0.69 0.00 0.00 178.15 177.95 3h0l h ALA 11 N 0.71 1.29 0.06 1.87 0.00 -1.12 -2.19 119.26 119.89 3h0l h ALA 11 Ca 0.03 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 3h0l h ALA 11 Cb 1.09 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3h0l h ALA 11 CO 0.11 0.48 -0.03 -0.22 0.00 0.00 0.00 179.25 179.59 3h0l h LYS 12 N 0.51 -0.08 -0.98 0.00 3.64 -1.21 0.17 116.57 118.63 3h0l h LYS 12 Ca 0.10 0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.62 3h0l h LYS 12 Cb 0.41 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 32.16 3h0l h LYS 12 CO 0.02 0.02 0.60 -0.07 -2.27 0.00 0.00 179.45 177.75 3h0l h LEU 13 N -0.17 0.85 -0.68 5.20 3.38 -1.18 -0.82 115.31 121.88 3h0l h LEU 13 Ca -0.01 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3h0l h LEU 13 Cb 0.15 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3h0l h LEU 13 CO 0.01 0.42 -0.05 0.00 0.09 0.00 0.00 178.44 178.91 3h0l n ALA 14 N -2.35 2.69 -3.55 1.53 0.00 -0.85 -4.96 120.51 113.02 3h0l n ALA 14 Ca 0.19 -0.39 -0.22 0.00 0.00 0.00 0.00 53.44 53.02 3h0l n ALA 14 Cb 0.40 -1.22 0.05 0.00 0.00 0.00 0.00 19.45 18.68 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 -0.24 -3.15 -4.14 0.00 5.12 0.13 -5.01 116.66 109.37 3h0l n ARG 15 Ca 0.18 0.66 -0.34 0.00 -1.93 0.00 0.00 57.85 56.42 3h0l n ARG 15 Cb 0.31 -5.09 -0.15 0.00 -1.16 0.00 0.00 32.46 26.37 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 -6.23 2.42 -0.84 0.55 1.43 0.37 -5.03 118.68 111.35 3h0l s LEU 16 Ca 0.27 -0.54 -0.19 0.00 -1.03 0.00 0.00 54.13 52.64 3h0l s LEU 16 Cb -0.07 -1.57 0.12 0.00 0.03 0.00 0.00 46.19 44.70 3h0l s LEU 16 CO 0.80 0.01 1.04 -0.70 0.23 0.00 0.00 176.35 177.74 3h0l s GLU 17 N 1.26 3.44 0.32 1.70 2.12 -1.26 -4.35 118.70 121.92 3h0l s GLU 17 Ca 0.03 -1.53 -0.28 0.00 0.36 0.00 0.00 54.97 53.55 3h0l s GLU 17 Cb -0.14 -4.69 -0.10 0.00 0.26 0.00 0.00 34.13 29.46 3h0l s GLU 17 CO -0.08 -1.75 1.19 -0.51 -0.54 0.00 0.00 175.26 173.57 3h0l s LEU 18 N 2.93 4.44 0.48 2.70 1.43 -1.26 -5.02 118.68 124.38 3h0l s LEU 18 Ca 0.28 2.44 -0.18 0.00 -1.03 0.00 0.00 54.13 55.63 3h0l s LEU 18 Cb -0.09 -3.71 -0.09 0.00 0.03 0.00 0.00 46.19 42.33 3h0l s LEU 18 CO -0.04 -0.38 0.97 -0.54 0.23 0.00 0.00 176.35 176.59 3h0l s LYS 19 N -1.73 4.06 0.40 1.70 1.02 -1.26 -4.88 119.74 119.04 3h0l s LYS 19 Ca 0.48 1.03 0.13 0.00 0.02 0.00 0.00 55.97 57.64 3h0l s LYS 19 Cb -0.34 -2.15 0.96 0.00 -0.52 0.00 0.00 37.83 35.77 3h0l s LYS 19 CO 0.45 -0.18 1.90 1.49 -0.92 0.00 0.00 175.35 178.09 3h0l h GLU 20 N 1.34 0.51 -0.85 1.68 4.57 -2.01 0.46 114.58 120.29 3h0l h GLU 20 Ca -0.48 -0.03 -0.02 0.00 -1.18 0.00 0.00 59.36 57.66 3h0l h GLU 20 Cb 1.18 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 29.62 3h0l h GLU 20 CO 0.61 0.34 0.47 0.93 -1.18 0.00 0.00 179.01 180.18 3h0l h GLU 21 N 0.53 1.18 -0.16 1.92 3.07 -2.01 -3.19 114.58 115.91 3h0l h GLU 21 Ca 0.39 -0.13 -0.13 0.00 -0.50 0.00 0.00 59.36 58.99 3h0l h GLU 21 Cb 0.78 -0.23 0.00 0.00 -0.84 0.00 0.00 28.75 28.46 3h0l h GLU 21 CO -0.15 0.86 -0.40 0.93 -1.40 0.00 0.00 179.01 178.85 3h0l h GLU 22 N 1.18 0.55 -0.94 2.33 5.08 -1.30 -2.84 114.58 118.66 3h0l h GLU 22 Ca 0.30 -0.38 0.20 0.00 -1.00 0.00 0.00 59.36 58.47 3h0l h GLU 22 Cb 0.02 0.06 -0.11 0.00 0.50 0.00 0.00 28.75 29.22 3h0l h GLU 22 CO -0.05 1.00 0.51 0.82 -1.00 0.00 0.00 179.01 180.29 3h0l h ILE 23 N 0.19 0.62 0.00 3.13 2.04 -1.43 0.25 117.51 122.31 3h0l h ILE 23 Ca -0.01 -0.21 -0.14 0.00 1.00 0.00 0.00 64.86 65.51 3h0l h ILE 23 Cb 1.02 -0.03 0.01 0.00 -0.74 0.00 0.00 36.82 37.07 3h0l h ILE 23 CO 0.09 0.11 -0.54 -0.33 0.00 0.00 0.00 178.15 177.47 3h0l h GLU 24 N 0.60 0.36 -0.23 2.37 5.08 -1.54 -2.75 114.58 118.48 3h0l h GLU 24 Ca 0.56 -0.39 -0.01 0.00 -1.00 0.00 0.00 59.36 58.51 3h0l h GLU 24 Cb 0.94 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 3h0l h GLU 24 CO -0.43 1.07 0.11 0.28 -1.00 0.00 0.00 179.01 179.04 3h0l h VAL 25 N -0.18 1.14 0.00 3.13 2.07 -1.23 -2.94 116.25 118.23 3h0l h VAL 25 Ca -0.07 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.06 3h0l h VAL 25 Cb 1.27 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 3h0l h VAL 25 CO 0.11 0.14 0.00 -0.26 0.02 0.00 0.00 177.57 177.57 3h0l h PHE 26 N 0.24 0.00 -0.11 1.57 0.04 -0.60 -1.22 116.94 116.86 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 0.12 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.26 3h0l h PHE 26 CO -0.02 0.00 0.02 1.96 -0.60 0.00 0.00 178.31 179.67 3h0l h GLN 27 N 0.00 0.18 -0.01 1.51 4.20 -1.30 -2.06 115.11 117.63 3h0l h GLN 27 Ca 0.00 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.65 3h0l h GLN 27 Cb 0.43 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.19 3h0l h GLN 27 CO 0.00 0.36 -0.06 -0.22 -0.67 0.00 0.00 178.83 178.24 3h0l h LYS 28 N -0.03 0.06 -0.30 1.46 3.64 -1.45 -2.86 116.57 117.09 3h0l h LYS 28 Ca 0.03 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.40 3h0l h LYS 28 Cb 0.27 0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.06 3h0l h LYS 28 CO 0.00 0.75 0.08 1.96 -2.27 0.00 0.00 179.45 179.96 3h0l h GLN 29 N -0.61 0.19 -0.30 1.90 4.20 -1.34 -0.43 115.11 118.72 3h0l h GLN 29 Ca -0.01 -0.01 -0.13 0.00 0.06 0.00 0.00 58.65 58.56 3h0l h GLN 29 Cb 0.76 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.49 3h0l h GLN 29 CO 0.01 0.12 -0.35 -0.07 -0.67 0.00 0.00 178.83 177.87 3h0l h LEU 30 N 0.19 0.70 -0.41 1.46 3.38 -1.50 -0.29 115.31 118.84 3h0l h LEU 30 Ca 0.14 -0.30 0.02 0.00 0.09 0.00 0.00 57.88 57.83 3h0l h LEU 30 Cb 0.13 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3h0l h LEU 30 CO -0.16 0.99 0.24 0.28 0.09 0.00 0.00 178.44 179.88 3h0l h SER 31 N 0.56 0.40 0.11 -0.43 0.02 -1.25 0.14 113.55 113.10 3h0l h SER 31 Ca 0.06 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.01 3h0l h SER 31 Cb 0.87 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 3h0l h SER 31 CO 0.08 0.29 -0.08 0.44 -1.14 0.00 0.00 176.83 176.41 3h0l h ASP 32 N 0.49 -0.21 -0.73 3.07 3.32 -0.74 -1.84 116.42 119.78 3h0l h ASP 32 Ca 0.16 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.24 3h0l h ASP 32 Cb 0.00 0.07 -0.04 0.00 0.22 0.00 0.00 39.33 39.59 3h0l h ASP 32 CO -0.07 -0.13 0.48 0.40 -1.72 0.00 0.00 179.24 178.20 3h0l h ILE 33 N -0.20 1.19 -0.04 0.35 2.04 -0.90 0.33 117.51 120.28 3h0l h ILE 33 Ca -0.00 -0.35 -0.05 0.00 1.00 0.00 0.00 64.86 65.46 3h0l h ILE 33 Cb 0.18 0.11 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 3h0l h ILE 33 CO -0.01 0.18 -0.22 -0.07 0.00 0.00 0.00 178.15 178.03 3h0l h LEU 34 N 0.99 0.06 -0.20 1.44 4.07 -0.56 -0.60 115.31 120.51 3h0l h LEU 34 Ca 0.27 -0.01 -0.22 0.00 0.08 0.00 0.00 57.88 57.99 3h0l h LEU 34 Cb -0.11 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.62 3h0l h LEU 34 CO -0.06 0.29 -0.89 0.44 -1.08 0.00 0.00 178.44 177.14 3h0l h ASP 35 N 0.06 0.60 -0.41 -0.43 3.32 -0.66 -3.18 116.42 115.73 3h0l h ASP 35 Ca 0.01 -0.46 0.02 0.00 0.02 0.00 0.00 57.03 56.62 3h0l h ASP 35 Cb 0.43 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.77 3h0l h ASP 35 CO 0.03 1.24 0.23 0.15 -1.72 0.00 0.00 179.24 179.18 3h0l h PHE 36 N 0.29 0.44 -0.01 4.55 3.57 0.71 -2.99 116.94 123.50 3h0l h PHE 36 Ca -0.07 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.44 3h0l h PHE 36 Cb 1.52 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 40.12 3h0l h PHE 36 CO 0.06 0.25 -0.16 0.44 -2.23 0.00 0.00 178.31 176.67 3h0l n ILE 37 N -4.87 0.00 -1.41 1.41 -5.35 -0.34 -4.58 119.36 104.23 3h0l n ILE 37 Ca 0.01 -0.14 -0.40 0.00 -0.27 0.00 0.00 62.75 61.95 3h0l n ILE 37 Cb 0.07 0.32 -0.02 0.00 -1.74 0.00 0.00 39.64 38.26 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 -0.51 7.68 -0.05 7.28 2.03 -1.13 -4.28 116.55 127.57 3h0l n ASP 38 Ca 0.14 -2.63 0.02 0.00 0.52 0.00 0.00 54.79 52.84 3h0l n ASP 38 Cb 0.33 -1.58 -0.01 0.00 -0.72 0.00 0.00 41.12 39.14 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 4.13 4.03 0.17 -0.67 1.13 -1.26 -4.81 117.38 120.10 3h0l n GLN 39 Ca 0.73 -0.21 0.11 0.00 -1.94 0.00 0.00 57.00 55.68 3h0l n GLN 39 Cb 0.27 -0.79 0.10 0.00 0.11 0.00 0.00 30.24 29.92 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 0.24 0.00 -1.46 1.08 3.38 -1.98 -3.30 115.31 113.26 3h0l h LEU 40 Ca 0.00 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.11 3h0l h LEU 40 Cb 0.11 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 3h0l h LEU 40 CO 0.00 0.07 0.52 0.11 0.09 0.00 0.00 178.44 179.23 3h0l h LYS 41 N 0.00 0.53 -0.88 1.13 1.57 -1.95 -1.33 116.57 115.64 3h0l h LYS 41 Ca -0.01 -0.03 0.23 0.00 -1.87 0.00 0.00 60.65 58.97 3h0l h LYS 41 Cb 1.06 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 33.20 3h0l h LYS 41 CO 0.01 0.35 0.61 0.93 -0.57 0.00 0.00 179.45 180.77 3h0l h GLU 42 N 0.54 0.19 -6.30 3.15 5.08 -1.96 -3.42 114.58 111.85 3h0l h GLU 42 Ca 0.39 -0.01 -0.56 0.00 -1.00 0.00 0.00 59.36 58.17 3h0l h GLU 42 Cb 0.74 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.91 3h0l h GLU 42 CO -0.15 0.12 -0.01 -0.51 -1.00 0.00 0.00 179.01 177.47 3h0l s LEU 43 N -8.98 4.49 -0.23 1.33 1.43 -0.50 -5.05 118.68 111.17 3h0l s LEU 43 Ca -0.07 1.28 -0.23 0.00 -1.03 0.00 0.00 54.13 54.08 3h0l s LEU 43 Cb 0.22 -3.05 -0.01 0.00 0.03 0.00 0.00 46.19 43.38 3h0l s LEU 43 CO 0.78 0.22 0.76 -0.62 0.23 0.00 0.00 176.35 177.72 3h0l s ASP 44 N -1.25 6.78 0.00 2.29 2.15 -1.26 -4.91 116.67 120.46 3h0l s ASP 44 Ca 0.32 0.97 0.00 0.00 0.43 0.00 0.00 52.55 54.27 3h0l s ASP 44 Cb -0.19 -2.41 0.00 0.00 -0.30 0.00 0.00 42.92 40.02 3h0l s ASP 44 CO 0.20 -0.44 0.67 0.35 -0.17 0.00 0.00 175.17 175.78 3h0l n THR 45 N 5.09 0.44 -1.81 1.71 -2.24 -1.26 -4.86 114.28 111.36 3h0l n THR 45 Ca 0.03 -0.51 -0.41 0.00 -2.27 0.00 0.00 64.05 60.89 3h0l n THR 45 Cb 0.48 0.88 -0.00 0.00 -2.10 0.00 0.00 70.33 69.59 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 -0.44 4.08 -0.50 -0.78 8.01 -1.26 -2.03 118.70 125.78 3h0l s GLU 46 Ca 0.00 2.56 0.00 0.00 0.01 0.00 0.00 54.97 57.54 3h0l s GLU 46 Cb 0.00 -2.95 0.00 0.00 -4.31 0.00 0.00 34.13 26.87 3h0l s GLU 46 CO 0.00 -0.55 0.00 0.09 0.01 0.00 0.00 175.26 174.81 3h0l n ASN 47 N 0.42 -4.58 -4.40 -0.19 3.02 -1.26 -4.99 115.26 103.27 3h0l n ASN 47 Ca 0.01 0.12 -0.34 0.00 -0.03 0.00 0.00 54.58 54.34 3h0l n ASN 47 Cb 0.39 -2.50 -0.14 0.00 -0.61 0.00 0.00 39.78 36.93 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 -1.84 3.38 0.07 2.41 1.01 -0.86 -5.11 120.40 119.46 3h0l s VAL 48 Ca 0.00 -0.53 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 3h0l s VAL 48 Cb 0.00 -2.46 -0.05 0.00 0.00 0.00 0.00 36.38 33.87 3h0l s VAL 48 CO 0.00 0.50 0.97 -1.61 0.00 0.00 0.00 175.10 174.95 3h0l s GLU 49 N 0.55 4.64 0.41 2.72 0.41 -1.26 -5.02 118.70 121.15 3h0l s GLU 49 Ca -0.06 1.44 -0.25 0.00 -0.41 0.00 0.00 54.97 55.69 3h0l s GLU 49 Cb -0.15 -3.41 -0.11 0.00 -1.78 0.00 0.00 34.13 28.68 3h0l s GLU 49 CO 0.03 0.11 1.00 -0.35 -0.49 0.00 0.00 175.26 175.57 3h0l n PRO 50 N 3.21 1.34 -1.77 0.39 -0.04 -1.26 -4.88 135.00 132.00 3h0l n PRO 50 Ca 0.04 0.48 -0.42 0.00 -0.04 0.00 0.00 63.50 63.56 3h0l n PRO 50 Cb 0.50 -2.02 -0.03 0.00 -0.04 0.00 0.00 33.50 31.91 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 -1.26 2.43 0.07 0.54 5.04 -1.26 -5.03 117.35 117.88 3h0l s TYR 51 Ca 0.63 0.16 0.05 0.00 -2.44 0.00 0.00 57.07 55.46 3h0l s TYR 51 Cb -0.57 -4.12 -0.03 0.00 0.35 0.00 0.00 41.96 37.59 3h0l s TYR 51 CO 0.57 -4.49 -0.13 0.42 -1.34 0.00 0.00 175.55 170.58 3h0l s ILE 52 N 2.25 1.04 0.51 3.14 1.01 -1.26 -5.13 121.20 122.75 3h0l s ILE 52 Ca 0.78 -1.32 -0.21 0.00 0.00 0.00 0.00 60.65 59.90 3h0l s ILE 52 Cb -0.46 -1.05 -0.07 0.00 0.01 0.00 0.00 42.46 40.89 3h0l s ILE 52 CO 0.34 -0.28 1.12 0.00 0.00 0.00 0.00 174.94 176.13 3h0l s GLN 53 N -1.83 3.55 0.29 2.79 -2.07 -1.26 -4.99 119.66 116.14 3h0l s GLN 53 Ca -0.02 1.61 -0.30 0.00 -1.82 0.00 0.00 55.36 54.84 3h0l s GLN 53 Cb -0.09 -2.14 -0.10 0.00 -1.09 0.00 0.00 33.01 29.58 3h0l s GLN 53 CO 0.02 -0.69 1.46 -1.21 -1.32 0.00 0.00 175.29 173.56 3h0l s GLU 54 N -3.10 4.23 -0.12 9.60 0.41 -1.26 -5.04 118.70 123.42 3h0l s GLU 54 Ca 0.69 2.39 -0.26 0.00 -0.41 0.00 0.00 54.97 57.38 3h0l s GLU 54 Cb -0.24 -3.07 0.06 0.00 -1.78 0.00 0.00 34.13 29.11 3h0l s GLU 54 CO 0.28 -0.45 0.63 -0.59 -0.49 0.00 0.00 175.26 174.64 3h0l s PHE 55 N -0.29 -0.63 -0.15 1.61 -0.71 -1.26 -5.08 117.98 111.47 3h0l s PHE 55 Ca 0.58 1.28 -0.18 0.00 -1.04 0.00 0.00 56.93 57.57 3h0l s PHE 55 Cb -0.44 0.32 -0.15 0.00 -1.21 0.00 0.00 43.02 41.54 3h0l s PHE 55 CO 0.48 -0.49 0.34 1.49 -1.34 0.00 0.00 175.22 175.70 3h0l h GLU 56 N 3.89 0.00 -5.55 1.99 4.57 -2.07 -3.48 114.58 113.93 3h0l h GLU 56 Ca -0.28 0.00 -0.44 0.00 -1.18 0.00 0.00 59.36 57.46 3h0l h GLU 56 Cb 1.15 0.00 -0.19 0.00 -0.16 0.00 0.00 28.75 29.56 3h0l h GLU 56 CO 0.28 0.63 -0.77 -1.21 -1.18 0.00 0.00 179.01 176.76 3h0l s GLU 57 N -2.09 1.06 -0.01 1.92 2.02 -1.26 -5.11 118.70 115.23 3h0l s GLU 57 Ca -0.16 -1.24 -0.30 0.00 0.02 0.00 0.00 54.97 53.29 3h0l s GLU 57 Cb 0.00 -1.00 -0.07 0.00 0.10 0.00 0.00 34.13 33.16 3h0l s GLU 57 CO 0.44 0.20 1.65 0.99 0.02 0.00 0.00 175.26 178.56 3h0l s THR 58 N -1.98 3.39 -0.01 3.63 2.01 -1.26 -4.96 115.64 116.47 3h0l s THR 58 Ca 0.09 0.63 -0.30 0.00 0.31 0.00 0.00 61.69 62.42 3h0l s THR 58 Cb -0.06 -3.41 -0.08 0.00 0.01 0.00 0.00 72.50 68.97 3h0l s THR 58 CO 0.04 -0.03 1.94 -2.16 -0.69 0.00 0.00 174.62 173.71 3h0l s PRO 59 N 3.49 4.04 0.30 4.92 0.04 -1.26 -5.00 135.00 141.53 3h0l s PRO 59 Ca 0.74 2.47 0.03 0.00 0.04 0.00 0.00 61.00 64.28 3h0l s PRO 59 Cb -0.36 -4.16 -0.06 0.00 0.04 0.00 0.00 34.50 29.97 3h0l s PRO 59 CO 0.31 -1.06 0.05 -1.64 0.04 0.00 0.00 177.00 174.70 3h0l s MET 60 N 4.59 1.56 0.01 4.56 -1.94 -1.26 -5.16 119.30 121.67 3h0l s MET 60 Ca 0.87 -1.85 0.03 0.00 -1.71 0.00 0.00 55.69 53.03 3h0l s MET 60 Cb -0.40 -0.73 -0.01 0.00 2.01 0.00 0.00 34.83 35.70 3h0l s MET 60 CO 0.39 -0.19 -0.09 0.50 -0.01 0.00 0.00 175.02 175.62 3h0l s ARG 61 N -3.91 0.65 0.68 2.03 3.52 -1.26 -5.13 118.95 115.52 3h0l s ARG 61 Ca 0.36 -0.44 -0.16 0.00 -0.13 0.00 0.00 55.73 55.35 3h0l s ARG 61 Cb 0.08 -0.59 0.01 0.00 -1.56 0.00 0.00 34.95 32.89 3h0l s ARG 61 CO 0.14 0.15 1.21 -1.21 -0.81 0.00 0.00 175.30 174.78 3h0l s GLU 62 N -0.61 2.48 -1.55 5.12 0.41 -1.26 -4.90 118.70 118.39 3h0l s GLU 62 Ca 0.00 1.77 -0.12 0.00 -0.41 0.00 0.00 54.97 56.22 3h0l s GLU 62 Cb -0.05 -1.87 -0.03 0.00 -1.78 0.00 0.00 34.13 30.40 3h0l s GLU 62 CO 0.00 -1.58 2.63 -3.47 -0.49 0.00 0.00 175.26 172.35 3h0l n ASP 63 N -2.29 6.61 -4.11 -0.19 2.03 -1.26 -4.89 116.55 112.45 3h0l n ASP 63 Ca 0.13 -2.70 -0.29 0.00 0.52 0.00 0.00 54.79 52.46 3h0l n ASP 63 Cb 0.50 -1.60 -0.17 0.00 -0.72 0.00 0.00 41.12 39.13 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 2.56 2.36 0.27 -0.67 2.02 -1.26 -5.12 118.70 118.86 3h0l s GLU 64 Ca 0.60 -0.63 -0.30 0.00 0.02 0.00 0.00 54.97 54.65 3h0l s GLU 64 Cb 0.16 -1.88 -0.12 0.00 0.10 0.00 0.00 34.13 32.38 3h0l s GLU 64 CO -0.07 0.06 1.50 -2.30 0.02 0.00 0.00 175.26 174.46 3h0l n PRO 65 N 3.82 2.37 -4.13 0.39 -0.02 -1.26 -5.04 135.00 131.14 3h0l n PRO 65 Ca -0.20 0.84 -0.31 0.00 -2.02 0.00 0.00 63.50 61.81 3h0l n PRO 65 Cb 0.52 -2.56 -0.08 0.00 -0.02 0.00 0.00 33.50 31.36 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 -0.07 3.10 -0.02 6.00 3.76 -1.26 -5.07 115.29 121.73 3h0l s HIS 66 Ca 0.66 0.05 -0.34 0.00 -0.15 0.00 0.00 55.06 55.28 3h0l s HIS 66 Cb -0.57 -1.61 -0.12 0.00 1.11 0.00 0.00 32.58 31.39 3h0l s HIS 66 CO 0.49 0.50 1.82 -2.30 -0.85 0.00 0.00 174.74 174.40 3h0l n PRO 67 N 0.75 2.24 -0.83 8.40 -0.02 -1.26 -4.96 135.00 139.32 3h0l n PRO 67 Ca -0.11 0.82 -0.28 0.00 -2.02 0.00 0.00 63.50 61.91 3h0l n PRO 67 Cb 0.52 -2.66 0.22 0.00 -0.02 0.00 0.00 33.50 31.57 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 3.35 1.53 0.29 2.55 0.01 -1.26 -5.00 113.70 115.17 3h0l s SER 68 Ca 0.89 1.30 -0.29 0.00 1.31 0.00 0.00 55.95 59.16 3h0l s SER 68 Cb -0.66 -2.02 -0.10 0.00 0.21 0.00 0.00 66.02 63.45 3h0l s SER 68 CO 0.47 -3.83 1.11 -0.22 0.41 0.00 0.00 173.24 171.19 3h0l s LEU 69 N -6.93 4.52 0.14 2.44 2.96 -1.26 -4.98 118.68 115.58 3h0l s LEU 69 Ca 0.67 2.29 -0.32 0.00 -0.22 0.00 0.00 54.13 56.55 3h0l s LEU 69 Cb -0.22 -3.66 -0.12 0.00 0.50 0.00 0.00 46.19 42.70 3h0l s LEU 69 CO 0.61 -0.19 1.77 -0.67 -1.32 0.00 0.00 176.35 176.56 3h0l n ASP 70 N 1.09 3.87 -0.11 3.68 2.03 -1.26 -4.83 116.55 121.02 3h0l n ASP 70 Ca -0.01 1.02 0.14 0.00 0.52 0.00 0.00 54.79 56.46 3h0l n ASP 70 Cb 0.45 -1.53 0.52 0.00 -0.72 0.00 0.00 41.12 39.84 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 7.68 0.37 -0.50 -0.67 2.43 -1.98 -0.19 114.38 121.51 3h0l h ARG 71 Ca -0.45 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 58.68 3h0l h ARG 71 Cb 1.22 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.67 3h0l h ARG 71 CO 0.94 0.24 0.25 1.49 -1.51 0.00 0.00 179.97 181.38 3h0l h GLU 72 N 0.38 0.71 -0.14 0.20 4.81 -1.98 -1.35 114.58 117.22 3h0l h GLU 72 Ca 0.31 -0.10 -0.09 0.00 -0.13 0.00 0.00 59.36 59.35 3h0l h GLU 72 Cb 0.70 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.94 3h0l h GLU 72 CO -0.09 0.59 -0.32 0.87 -0.73 0.00 0.00 179.01 179.33 3h0l h LYS 73 N 0.66 0.27 0.00 1.92 1.57 -1.49 0.16 116.57 119.65 3h0l h LYS 73 Ca 0.17 -0.11 -0.09 0.00 -1.87 0.00 0.00 60.65 58.76 3h0l h LYS 73 Cb 0.11 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.39 3h0l h LYS 73 CO -0.02 0.57 -0.43 0.00 -0.57 0.00 0.00 179.45 178.99 3h0l h ALA 74 N 1.43 1.05 0.00 3.86 0.00 -0.78 -3.32 119.26 121.51 3h0l h ALA 74 Ca 0.03 -0.39 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 3h0l h ALA 74 Cb 0.69 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 3h0l h ALA 74 CO 0.05 0.54 -1.80 1.28 0.00 0.00 0.00 179.25 179.32 3h0l n LEU 75 N -3.69 0.00 -0.45 0.00 7.99 -0.54 -4.68 117.00 115.63 3h0l n LEU 75 Ca -0.01 0.00 0.37 0.00 -0.01 0.00 0.00 56.01 56.36 3h0l n LEU 75 Cb 0.51 0.13 0.67 0.00 -0.11 0.00 0.00 43.42 44.62 3h0l n LEU 75 CO 0.38 0.13 1.29 0.00 -1.51 0.00 0.00 177.39 177.68 3h0l h MET 76 N 0.00 0.10 -0.00 3.23 -0.00 -0.78 0.28 114.93 117.76 3h0l h MET 76 Ca -0.14 -0.01 0.00 0.00 -0.00 0.00 0.00 59.70 59.55 3h0l h MET 76 Cb 1.13 -0.02 0.00 0.00 -0.00 0.00 0.00 31.60 32.71 3h0l h MET 76 CO 0.01 0.07 -0.29 0.09 -0.00 0.00 0.00 176.91 176.79 3h0l n ASN 77 N -4.49 0.78 -4.70 -0.10 3.02 -1.26 -4.94 115.26 103.57 3h0l n ASN 77 Ca 0.35 -0.65 -0.42 0.00 -0.03 0.00 0.00 54.58 53.83 3h0l n ASN 77 Cb 1.41 0.11 -0.03 0.00 -0.61 0.00 0.00 39.78 40.66 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 -2.63 3.77 0.32 5.41 0.00 0.97 -4.90 121.76 124.69 3h0l s ALA 78 Ca 0.21 1.36 0.10 0.00 0.00 0.00 0.00 51.96 53.63 3h0l s ALA 78 Cb 0.19 -3.68 0.88 0.00 0.00 0.00 0.00 23.12 20.51 3h0l s ALA 78 CO 0.56 -0.97 1.74 -1.35 0.00 0.00 0.00 175.76 175.74 3h0l h PRO 79 N 7.56 0.58 -2.59 0.00 0.11 -1.92 -3.41 132.00 132.34 3h0l h PRO 79 Ca -0.43 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.53 3h0l h PRO 79 Cb 1.20 -0.13 -0.27 0.00 0.11 0.00 0.00 31.00 31.91 3h0l h PRO 79 CO 0.93 0.38 -0.35 -2.00 -0.21 0.00 0.00 178.00 176.75 3h0l s GLU 80 N -5.77 0.34 0.15 1.05 2.12 -1.26 -5.10 118.70 110.23 3h0l s GLU 80 Ca -0.11 0.92 0.09 0.00 0.36 0.00 0.00 54.97 56.23 3h0l s GLU 80 Cb 0.27 0.17 -0.04 0.00 0.26 0.00 0.00 34.13 34.78 3h0l s GLU 80 CO 0.80 -0.22 -0.20 -0.98 -0.54 0.00 0.00 175.26 174.12 3h0l s ARG 81 N 2.13 1.27 -0.20 4.30 1.70 -1.26 -0.50 118.95 126.38 3h0l s ARG 81 Ca -0.05 -1.36 -0.07 0.00 -0.47 0.00 0.00 55.73 53.78 3h0l s ARG 81 Cb -0.11 -1.42 0.09 0.00 -0.57 0.00 0.00 34.95 32.94 3h0l s ARG 81 CO -0.12 0.30 0.43 0.21 -1.08 0.00 0.00 175.30 175.04 3h0l s LYS 82 N -2.55 0.35 -1.51 3.89 2.20 -0.20 -4.90 119.74 117.02 3h0l s LYS 82 Ca 0.14 1.03 0.00 0.00 -0.36 0.00 0.00 55.97 56.78 3h0l s LYS 82 Cb -0.07 0.31 0.00 0.00 -1.51 0.00 0.00 37.83 36.56 3h0l s LYS 82 CO 0.06 -0.24 0.00 -0.25 -0.36 0.00 0.00 175.35 174.57 3h0l n ASP 83 N 5.24 -4.99 0.00 1.43 8.00 -1.26 -0.94 116.55 124.03 3h0l n ASP 83 Ca -0.11 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.51 3h0l n ASP 83 Cb 0.50 -4.22 0.00 0.00 -0.02 0.00 0.00 41.12 37.39 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 0.65 3.56 0.44 0.00 -1.26 -5.08 105.19 102.64 3h0l n GLY 84 Ca -0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 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 2.71 0.18 1.61 0.08 -0.12 -5.10 117.98 115.03 3h0l s PHE 85 Ca 0.00 -0.17 -0.30 0.00 0.12 0.00 0.00 56.93 56.58 3h0l s PHE 85 Cb 0.00 -1.44 -0.08 0.00 -0.57 0.00 0.00 43.02 40.93 3h0l s PHE 85 CO 0.00 0.40 1.13 -0.06 -0.10 0.00 0.00 175.22 176.59 3h0l s PHE 86 N -1.16 3.54 -0.11 0.36 0.08 -1.26 -1.03 117.98 118.40 3h0l s PHE 86 Ca 0.20 1.55 -0.00 0.00 0.12 0.00 0.00 56.93 58.80 3h0l s PHE 86 Cb -0.11 -3.32 -0.02 0.00 -0.57 0.00 0.00 43.02 38.99 3h0l s PHE 86 CO 0.12 -0.79 -0.09 0.08 -0.10 0.00 0.00 175.22 174.44 3h0l s VAL 87 N -0.20 3.42 0.14 -0.44 1.01 0.35 -4.87 120.40 119.80 3h0l s VAL 87 Ca 0.50 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.94 3h0l s VAL 87 Cb -0.30 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.60 3h0l s VAL 87 CO 0.36 0.54 0.01 0.68 0.00 0.00 0.00 175.10 176.69 3h0l s VAL 88 N -0.08 0.47 0.40 2.92 -7.23 -1.26 -4.49 120.40 111.12 3h0l s VAL 88 Ca -0.01 -1.94 -0.26 0.00 -1.81 0.00 0.00 61.98 57.96 3h0l s VAL 88 Cb -0.14 -2.01 -0.10 0.00 0.56 0.00 0.00 36.38 34.69 3h0l s VAL 88 CO 0.03 -0.55 1.31 -0.81 -0.31 0.00 0.00 175.10 174.77 3h0l n PRO 89 N -0.15 2.07 -1.53 4.82 -0.04 -1.26 -4.88 135.00 134.03 3h0l n PRO 89 Ca -0.07 0.73 -0.44 0.00 -0.04 0.00 0.00 63.50 63.68 3h0l n PRO 89 Cb 0.63 -2.42 -0.01 0.00 -0.04 0.00 0.00 33.50 31.67 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 0.18 0.95 -4.23 0.54 0.63 -1.26 -5.01 116.66 108.46 3h0l n ARG 90 Ca 0.05 0.34 -0.30 0.00 -0.92 0.00 0.00 57.85 57.02 3h0l n ARG 90 Cb 0.39 -1.66 -0.10 0.00 0.45 0.00 0.00 32.46 31.54 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 -1.20 3.52 -2.19 5.15 -7.23 -1.26 -5.33 120.40 111.86 3h0l s VAL 91 Ca 0.61 -1.17 0.31 0.00 -1.81 0.00 0.00 61.98 59.91 3h0l s VAL 91 Cb -0.68 -2.64 0.78 0.00 0.56 0.00 0.00 36.38 34.39 3h0l s VAL 91 CO 0.58 0.14 2.05 1.33 -0.31 0.00 0.00 175.10 178.89