#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h0m n ASP 3 N 0.00 -1.39 0.13 6.55 9.92 -1.26 -4.91 116.55 125.58 3h0m n ASP 3 Ca 0.00 0.18 -0.14 0.00 -0.53 0.00 0.00 54.79 54.30 3h0m n ASP 3 Cb 0.00 -1.25 -0.08 0.00 -0.64 0.00 0.00 41.12 39.15 3h0m n ASP 3 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 3h0m h ARG 4 N -1.97 -0.26 -0.77 -1.24 2.43 -2.00 -3.13 114.38 107.45 3h0m h ARG 4 Ca -0.49 0.02 0.18 0.00 -0.81 0.00 0.00 59.98 58.88 3h0m h ARG 4 Cb 1.30 0.06 -0.13 0.00 -0.42 0.00 0.00 29.97 30.78 3h0m h ARG 4 CO 0.40 -0.12 0.02 1.49 -1.51 0.00 0.00 179.97 180.25 3h0m h GLU 5 N -0.33 0.10 -0.31 0.20 4.81 -2.00 -0.87 114.58 116.19 3h0m h GLU 5 Ca -0.03 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.23 3h0m h GLU 5 Cb 0.26 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 3h0m h GLU 5 CO 0.04 0.07 0.11 2.35 -0.73 0.00 0.00 179.01 180.86 3h0m h TRP 6 N 0.11 0.21 -0.72 0.92 7.01 -1.91 0.54 115.95 122.09 3h0m h TRP 6 Ca 0.43 0.02 -0.01 0.00 2.11 0.00 0.00 58.89 61.43 3h0m h TRP 6 Cb 0.76 -0.05 -0.03 0.00 -2.10 0.00 0.00 29.16 27.74 3h0m h TRP 6 CO -0.42 0.09 0.41 0.28 -2.79 0.00 0.00 178.44 176.02 3h0m h VAL 7 N 0.25 1.22 -0.35 2.65 2.07 -1.13 0.14 116.25 121.10 3h0m h VAL 7 Ca 0.14 -0.52 -0.07 0.00 0.82 0.00 0.00 66.70 67.07 3h0m h VAL 7 Cb 0.10 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.10 3h0m h VAL 7 CO -0.14 0.23 -0.07 -0.07 0.02 0.00 0.00 177.57 177.55 3h0m h LEU 8 N 0.99 0.67 -0.43 2.57 3.38 -0.90 -1.40 115.31 120.19 3h0m h LEU 8 Ca 0.26 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 57.89 3h0m h LEU 8 Cb 0.01 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.55 3h0m h LEU 8 CO -0.04 0.87 0.26 0.50 0.09 0.00 0.00 178.44 180.11 3h0m h LYS 9 N 0.46 0.50 -0.22 1.13 3.64 -0.63 0.47 116.57 121.92 3h0m h LYS 9 Ca 0.09 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 59.31 3h0m h LYS 9 Cb 0.57 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.26 3h0m h LYS 9 CO 0.03 0.33 -0.43 0.82 -2.27 0.00 0.00 179.45 177.94 3h0m h ILE 10 N 0.52 1.30 -0.29 2.00 1.08 -0.93 -2.74 117.51 118.46 3h0m h ILE 10 Ca 0.17 -1.60 -0.06 0.00 -0.39 0.00 0.00 64.86 62.98 3h0m h ILE 10 Cb -0.00 1.60 -0.01 0.00 -3.07 0.00 0.00 36.82 35.33 3h0m h ILE 10 CO -0.07 0.50 -0.04 0.00 -0.69 0.00 0.00 178.15 177.86 3h0m h ALA 11 N 1.09 0.40 -0.35 1.87 0.00 -0.82 -2.37 119.26 119.08 3h0m h ALA 11 Ca 0.03 -0.26 0.08 0.00 0.00 0.00 0.00 54.91 54.76 3h0m h ALA 11 Cb 0.93 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.53 3h0m h ALA 11 CO 0.08 0.18 -0.19 -0.22 0.00 0.00 0.00 179.25 179.10 3h0m h LYS 12 N 0.31 -0.13 -0.76 0.00 3.64 -0.90 0.15 116.57 118.89 3h0m h LYS 12 Ca 0.08 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.51 3h0m h LYS 12 Cb 0.50 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.30 3h0m h LYS 12 CO 0.02 -0.09 0.50 -0.07 -2.27 0.00 0.00 179.45 177.54 3h0m h LEU 13 N -0.14 0.76 -1.60 5.20 3.38 -1.23 -2.19 115.31 119.49 3h0m h LEU 13 Ca 0.18 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3h0m h LEU 13 Cb 0.41 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3h0m h LEU 13 CO -0.44 0.51 0.00 0.00 0.09 0.00 0.00 178.44 178.60 3h0m n ALA 14 N -2.43 2.49 -3.35 1.53 0.00 -0.79 -5.00 120.51 112.97 3h0m n ALA 14 Ca 0.10 -0.67 -0.15 0.00 0.00 0.00 0.00 53.44 52.72 3h0m n ALA 14 Cb 0.17 -0.98 0.03 0.00 0.00 0.00 0.00 19.45 18.67 3h0m n ALA 14 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3h0m n ARG 15 N 0.85 -1.59 -3.85 0.00 5.12 0.46 -5.03 116.66 112.63 3h0m n ARG 15 Ca 0.17 0.98 -0.28 0.00 -1.93 0.00 0.00 57.85 56.79 3h0m n ARG 15 Cb 0.47 -5.01 -0.16 0.00 -1.16 0.00 0.00 32.46 26.60 3h0m n ARG 15 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 3h0m s LEU 16 N -5.13 1.61 -0.80 0.55 1.43 -0.72 -5.04 118.68 110.59 3h0m s LEU 16 Ca 0.26 -0.78 -0.24 0.00 -1.03 0.00 0.00 54.13 52.33 3h0m s LEU 16 Cb -0.06 -0.84 0.05 0.00 0.03 0.00 0.00 46.19 45.37 3h0m s LEU 16 CO 0.79 -0.23 1.24 -0.70 0.23 0.00 0.00 176.35 177.67 3h0m s GLU 17 N 1.67 3.30 0.07 1.70 2.12 -1.26 -4.43 118.70 121.86 3h0m s GLU 17 Ca -0.01 -0.70 -0.31 0.00 0.36 0.00 0.00 54.97 54.32 3h0m s GLU 17 Cb -0.16 -4.52 -0.06 0.00 0.26 0.00 0.00 34.13 29.65 3h0m s GLU 17 CO -0.07 -2.06 1.24 -0.51 -0.54 0.00 0.00 175.26 173.31 3h0m s LEU 18 N 4.94 4.37 0.42 2.70 1.43 -1.26 -5.00 118.68 126.28 3h0m s LEU 18 Ca 0.34 2.06 -0.25 0.00 -1.03 0.00 0.00 54.13 55.26 3h0m s LEU 18 Cb -0.08 -3.58 -0.08 0.00 0.03 0.00 0.00 46.19 42.48 3h0m s LEU 18 CO 0.06 -0.51 1.20 -0.54 0.23 0.00 0.00 176.35 176.79 3h0m s LYS 19 N 1.13 3.93 0.46 1.70 1.02 -1.26 -4.88 119.74 121.84 3h0m s LYS 19 Ca 0.60 1.90 0.29 0.00 0.02 0.00 0.00 55.97 58.77 3h0m s LYS 19 Cb -0.31 -2.61 1.36 0.00 -0.52 0.00 0.00 37.83 35.76 3h0m s LYS 19 CO 0.29 -0.44 1.72 1.49 -0.92 0.00 0.00 175.35 177.49 3h0m h GLU 20 N 2.45 0.17 -0.24 1.68 4.57 -2.01 0.13 114.58 121.33 3h0m h GLU 20 Ca -0.49 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 57.66 3h0m h GLU 20 Cb 1.24 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.78 3h0m h GLU 20 CO 0.62 0.11 0.08 0.93 -1.18 0.00 0.00 179.01 179.56 3h0m h GLU 21 N 0.17 0.38 -0.44 1.92 3.07 -2.02 -3.14 114.58 114.52 3h0m h GLU 21 Ca 0.68 -0.08 -0.02 0.00 -0.50 0.00 0.00 59.36 59.44 3h0m h GLU 21 Cb 2.19 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 30.03 3h0m h GLU 21 CO -0.24 0.45 0.20 0.93 -1.40 0.00 0.00 179.01 178.96 3h0m h GLU 22 N 0.22 0.61 -0.17 2.33 5.08 -1.34 -2.69 114.58 118.62 3h0m h GLU 22 Ca 0.08 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3h0m h GLU 22 Cb 0.23 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 3h0m h GLU 22 CO -0.00 0.48 0.11 0.82 -1.00 0.00 0.00 179.01 179.42 3h0m h ILE 23 N 0.61 1.06 -0.38 3.13 2.04 -1.46 0.24 117.51 122.75 3h0m h ILE 23 Ca 0.15 -0.13 -0.15 0.00 1.00 0.00 0.00 64.86 65.73 3h0m h ILE 23 Cb 0.08 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 3h0m h ILE 23 CO -0.02 0.06 -0.37 -0.33 0.00 0.00 0.00 178.15 177.49 3h0m h GLU 24 N 0.22 0.92 -0.47 2.37 5.08 -1.53 -2.08 114.58 119.08 3h0m h GLU 24 Ca 0.06 -0.48 -0.14 0.00 -1.00 0.00 0.00 59.36 57.81 3h0m h GLU 24 Cb -0.00 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3h0m h GLU 24 CO -0.01 1.13 -0.23 0.28 -1.00 0.00 0.00 179.01 179.18 3h0m h VAL 25 N 0.73 1.27 0.00 3.13 2.07 -1.40 -3.03 116.25 119.02 3h0m h VAL 25 Ca 0.06 -1.40 -0.04 0.00 0.82 0.00 0.00 66.70 66.14 3h0m h VAL 25 Cb 0.96 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 3h0m h VAL 25 CO 0.09 0.48 -0.20 -0.26 0.02 0.00 0.00 177.57 177.70 3h0m h PHE 26 N 0.85 0.00 -0.02 1.57 0.04 -0.45 -1.61 116.94 117.32 3h0m h PHE 26 Ca 0.11 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.88 3h0m h PHE 26 Cb 0.81 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.96 3h0m h PHE 26 CO 0.05 0.20 0.02 1.96 -0.60 0.00 0.00 178.31 179.94 3h0m h GLN 27 N 0.00 0.03 -0.08 1.51 4.20 -1.25 -2.04 115.11 117.48 3h0m h GLN 27 Ca -0.00 -0.00 -0.11 0.00 0.06 0.00 0.00 58.65 58.59 3h0m h GLN 27 Cb 0.80 -0.01 0.01 0.00 0.30 0.00 0.00 27.48 28.57 3h0m h GLN 27 CO 0.03 0.03 -0.39 -0.22 -0.67 0.00 0.00 178.83 177.60 3h0m h LYS 28 N 0.02 0.41 -0.48 1.46 3.64 -1.53 -2.65 116.57 117.44 3h0m h LYS 28 Ca 0.01 -0.33 -0.07 0.00 -1.27 0.00 0.00 60.65 58.98 3h0m h LYS 28 Cb 0.01 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.88 3h0m h LYS 28 CO -0.00 0.97 0.01 1.96 -2.27 0.00 0.00 179.45 180.12 3h0m h GLN 29 N -0.04 0.84 -0.17 1.90 4.20 -1.34 -1.83 115.11 118.67 3h0m h GLN 29 Ca -0.03 -0.26 -0.20 0.00 0.06 0.00 0.00 58.65 58.22 3h0m h GLN 29 Cb 1.04 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.75 3h0m h GLN 29 CO 0.08 0.88 -0.70 -0.07 -0.67 0.00 0.00 178.83 178.35 3h0m h LEU 30 N 0.70 0.82 -0.40 1.46 3.38 -1.48 -0.91 115.31 118.88 3h0m h LEU 30 Ca 0.14 -0.51 0.06 0.00 0.09 0.00 0.00 57.88 57.66 3h0m h LEU 30 Cb 0.49 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 3h0m h LEU 30 CO 0.02 1.29 0.11 0.28 0.09 0.00 0.00 178.44 180.22 3h0m h SER 31 N 0.50 0.07 0.15 -0.43 0.02 -1.40 0.16 113.55 112.61 3h0m h SER 31 Ca -0.03 0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 60.98 3h0m h SER 31 Cb 1.30 0.07 -0.01 0.00 0.14 0.00 0.00 62.40 63.90 3h0m h SER 31 CO 0.14 0.07 -0.11 0.44 -1.14 0.00 0.00 176.83 176.23 3h0m h ASP 32 N 0.25 -0.27 -0.74 3.07 3.32 -1.19 -1.25 116.42 119.60 3h0m h ASP 32 Ca 0.19 0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.26 3h0m h ASP 32 Cb 0.21 0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.81 3h0m h ASP 32 CO -0.23 -0.17 0.45 0.40 -1.72 0.00 0.00 179.24 177.96 3h0m h ILE 33 N -0.26 1.21 -0.45 0.35 2.04 -0.96 0.25 117.51 119.70 3h0m h ILE 33 Ca -0.01 -0.47 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 3h0m h ILE 33 Cb 0.23 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.45 3h0m h ILE 33 CO -0.00 0.22 0.21 -0.07 0.00 0.00 0.00 178.15 178.51 3h0m h LEU 34 N 1.04 0.59 -0.75 1.44 4.07 -0.37 -1.42 115.31 119.90 3h0m h LEU 34 Ca 0.27 -0.13 -0.05 0.00 0.08 0.00 0.00 57.88 58.05 3h0m h LEU 34 Cb -0.03 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 41.52 3h0m h LEU 34 CO -0.05 0.55 0.29 0.44 -1.08 0.00 0.00 178.44 178.59 3h0m h ASP 35 N 0.58 1.05 -0.54 -0.43 3.32 -0.83 -2.90 116.42 116.67 3h0m h ASP 35 Ca 0.15 -0.18 0.05 0.00 0.02 0.00 0.00 57.03 57.07 3h0m h ASP 35 Cb 0.12 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.37 3h0m h ASP 35 CO -0.02 0.94 0.36 0.15 -1.72 0.00 0.00 179.24 178.95 3h0m h PHE 36 N 1.09 0.54 -0.01 4.55 3.57 0.04 -3.07 116.94 123.65 3h0m h PHE 36 Ca 0.25 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.76 3h0m h PHE 36 Cb 0.23 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 38.79 3h0m h PHE 36 CO 0.02 0.31 -0.65 0.44 -2.23 0.00 0.00 178.31 176.19 3h0m n ILE 37 N -4.47 0.00 -1.57 1.41 -5.35 -0.58 -4.66 119.36 104.13 3h0m n ILE 37 Ca 0.07 -0.17 -0.41 0.00 -0.27 0.00 0.00 62.75 61.97 3h0m n ILE 37 Cb 0.19 1.15 -0.01 0.00 -1.74 0.00 0.00 39.64 39.23 3h0m n ILE 37 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3h0m n ASP 38 N -0.59 6.24 -0.16 7.28 9.92 -1.10 -4.27 116.55 133.87 3h0m n ASP 38 Ca 0.07 -2.73 0.05 0.00 -0.53 0.00 0.00 54.79 51.64 3h0m n ASP 38 Cb 0.40 -1.60 -0.02 0.00 -0.64 0.00 0.00 41.12 39.26 3h0m n ASP 38 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 3h0m n GLN 39 N 4.78 2.65 0.08 -1.24 1.13 -1.26 -4.79 117.38 118.73 3h0m n GLN 39 Ca 0.64 -0.42 0.11 0.00 -1.94 0.00 0.00 57.00 55.40 3h0m n GLN 39 Cb 0.31 -1.03 -0.03 0.00 0.11 0.00 0.00 30.24 29.60 3h0m n GLN 39 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 3h0m n LEU 40 N -0.54 0.70 -0.33 1.08 4.77 -1.26 -3.76 117.00 117.65 3h0m n LEU 40 Ca 0.03 0.27 0.15 0.00 -0.03 0.00 0.00 56.01 56.43 3h0m n LEU 40 Cb 0.19 -0.05 0.38 0.00 -2.33 0.00 0.00 43.42 41.60 3h0m n LEU 40 CO 0.14 -0.15 1.20 0.11 -1.33 0.00 0.00 177.39 177.36 3h0m h LYS 41 N 0.00 0.64 -1.03 3.23 1.57 -1.94 -1.54 116.57 117.50 3h0m h LYS 41 Ca 0.00 -0.04 0.30 0.00 -1.87 0.00 0.00 60.65 59.04 3h0m h LYS 41 Cb 1.00 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 33.12 3h0m h LYS 41 CO 0.00 0.42 0.89 0.93 -0.57 0.00 0.00 179.45 181.12 3h0m h GLU 42 N 0.66 0.00 -6.03 3.15 5.08 -1.95 -3.42 114.58 112.07 3h0m h GLU 42 Ca 0.57 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 58.35 3h0m h GLU 42 Cb 1.04 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.25 3h0m h GLU 42 CO -0.35 0.00 -0.44 -0.51 -1.00 0.00 0.00 179.01 176.71 3h0m s LEU 43 N -7.62 4.32 -0.32 1.33 1.43 -0.58 -5.07 118.68 112.17 3h0m s LEU 43 Ca -0.04 0.30 -0.14 0.00 -1.03 0.00 0.00 54.13 53.22 3h0m s LEU 43 Cb 0.19 -3.02 -0.02 0.00 0.03 0.00 0.00 46.19 43.37 3h0m s LEU 43 CO 0.67 0.09 0.29 -0.62 0.23 0.00 0.00 176.35 177.01 3h0m s ASP 44 N -2.81 6.12 -0.09 2.29 2.15 -1.26 -4.93 116.67 118.14 3h0m s ASP 44 Ca 0.36 -0.18 0.13 0.00 0.43 0.00 0.00 52.55 53.29 3h0m s ASP 44 Cb -0.12 -2.16 0.20 0.00 -0.30 0.00 0.00 42.92 40.54 3h0m s ASP 44 CO 0.28 -0.23 1.09 0.35 -0.17 0.00 0.00 175.17 176.49 3h0m n THR 45 N 5.15 1.54 -0.13 1.71 -2.24 -1.26 -4.81 114.28 114.24 3h0m n THR 45 Ca -0.11 -1.80 -0.06 0.00 -2.27 0.00 0.00 64.05 59.81 3h0m n THR 45 Cb 0.50 -0.00 0.02 0.00 -2.10 0.00 0.00 70.33 68.75 3h0m n THR 45 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 3h0m h GLU 46 N 0.00 0.37 -0.75 -0.78 4.39 -2.04 -2.63 114.58 113.14 3h0m h GLU 46 Ca 0.00 -0.02 -0.48 0.00 0.34 0.00 0.00 59.36 59.20 3h0m h GLU 46 Cb 0.91 -0.08 -0.28 0.00 -0.10 0.00 0.00 28.75 29.20 3h0m h GLU 46 CO 0.00 0.24 0.15 0.09 -1.16 0.00 0.00 179.01 178.34 3h0m n ASN 47 N -4.95 4.94 -4.46 1.42 3.02 -1.26 -4.94 115.26 109.03 3h0m n ASN 47 Ca 0.02 -3.76 -0.35 0.00 -0.03 0.00 0.00 54.58 50.46 3h0m n ASN 47 Cb 0.12 -0.71 -0.12 0.00 -0.61 0.00 0.00 39.78 38.46 3h0m n ASN 47 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3h0m s VAL 48 N -4.10 4.05 -0.05 2.41 1.01 -0.99 -5.09 120.40 117.63 3h0m s VAL 48 Ca 0.55 -0.28 -0.30 0.00 0.00 0.00 0.00 61.98 61.95 3h0m s VAL 48 Cb 0.45 -2.84 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 3h0m s VAL 48 CO 0.02 0.42 1.11 -1.61 0.00 0.00 0.00 175.10 175.04 3h0m s GLU 49 N 1.03 4.41 0.43 2.72 0.41 -1.26 -5.02 118.70 121.42 3h0m s GLU 49 Ca 0.02 1.56 -0.22 0.00 -0.41 0.00 0.00 54.97 55.92 3h0m s GLU 49 Cb -0.14 -3.52 -0.13 0.00 -1.78 0.00 0.00 34.13 28.56 3h0m s GLU 49 CO 0.02 -0.33 0.47 -2.30 -0.49 0.00 0.00 175.26 172.63 3h0m n PRO 50 N 4.83 0.48 -2.01 0.39 -0.01 -1.26 -4.86 135.00 132.56 3h0m n PRO 50 Ca 0.09 0.18 -0.42 0.00 -0.01 0.00 0.00 63.50 63.34 3h0m n PRO 50 Cb 0.48 -1.44 -0.03 0.00 -0.01 0.00 0.00 33.50 32.50 3h0m n PRO 50 CO 0.00 0.00 0.00 -0.47 -0.01 0.00 0.00 175.50 175.02 3h0m s TYR 51 N -1.52 2.84 0.03 6.00 5.04 -1.26 -5.03 117.35 123.44 3h0m s TYR 51 Ca 0.63 0.59 0.02 0.00 -2.44 0.00 0.00 57.07 55.87 3h0m s TYR 51 Cb -0.60 -3.87 -0.02 0.00 0.35 0.00 0.00 41.96 37.83 3h0m s TYR 51 CO 0.59 -3.29 -0.07 0.42 -1.34 0.00 0.00 175.55 171.86 3h0m s ILE 52 N 1.82 0.49 0.69 3.14 1.01 -1.26 -5.14 121.20 121.94 3h0m s ILE 52 Ca 0.70 -0.79 -0.15 0.00 0.00 0.00 0.00 60.65 60.40 3h0m s ILE 52 Cb -0.40 -0.51 0.02 0.00 0.01 0.00 0.00 42.46 41.58 3h0m s ILE 52 CO 0.31 -0.22 1.17 0.00 0.00 0.00 0.00 174.94 176.20 3h0m s GLN 53 N -1.09 2.46 0.49 2.79 -2.07 -1.26 -5.01 119.66 115.98 3h0m s GLN 53 Ca -0.06 1.63 -0.10 0.00 -1.82 0.00 0.00 55.36 55.01 3h0m s GLN 53 Cb -0.07 -1.89 -0.05 0.00 -1.09 0.00 0.00 33.01 29.91 3h0m s GLN 53 CO 0.00 -1.56 0.87 -1.21 -1.32 0.00 0.00 175.29 172.07 3h0m s GLU 54 N -3.91 3.70 -0.30 9.60 2.02 -1.26 -5.07 118.70 123.47 3h0m s GLU 54 Ca 0.72 0.53 -0.22 0.00 0.02 0.00 0.00 54.97 56.03 3h0m s GLU 54 Cb -0.26 -2.27 0.20 0.00 0.10 0.00 0.00 34.13 31.90 3h0m s GLU 54 CO 0.42 -0.25 1.40 -0.59 0.02 0.00 0.00 175.26 176.27 3h0m s PHE 55 N -2.71 -0.03 -0.19 1.61 -0.71 -1.26 -5.09 117.98 109.61 3h0m s PHE 55 Ca 0.52 0.06 -0.24 0.00 -1.04 0.00 0.00 56.93 56.24 3h0m s PHE 55 Cb -0.10 0.31 -0.21 0.00 -1.21 0.00 0.00 43.02 41.81 3h0m s PHE 55 CO 0.40 -0.01 0.38 1.49 -1.34 0.00 0.00 175.22 176.14 3h0m h GLU 56 N 3.84 0.00 -6.00 1.99 4.57 -2.07 -3.47 114.58 113.43 3h0m h GLU 56 Ca -0.27 0.00 -0.55 0.00 -1.18 0.00 0.00 59.36 57.36 3h0m h GLU 56 Cb 1.18 0.00 -0.15 0.00 -0.16 0.00 0.00 28.75 29.62 3h0m h GLU 56 CO 0.21 0.98 -0.76 -1.21 -1.18 0.00 0.00 179.01 177.04 3h0m s GLU 57 N -2.31 1.51 -0.17 1.92 2.02 -1.26 -5.11 118.70 115.30 3h0m s GLU 57 Ca -0.25 -1.65 -0.29 0.00 0.02 0.00 0.00 54.97 52.79 3h0m s GLU 57 Cb 0.03 -1.52 -0.02 0.00 0.10 0.00 0.00 34.13 32.72 3h0m s GLU 57 CO 0.61 0.28 1.34 0.99 0.02 0.00 0.00 175.26 178.51 3h0m s THR 58 N -2.55 4.13 0.05 3.63 2.01 -1.26 -4.98 115.64 116.67 3h0m s THR 58 Ca 0.25 1.35 -0.30 0.00 0.31 0.00 0.00 61.69 63.30 3h0m s THR 58 Cb -0.04 -3.93 -0.08 0.00 0.01 0.00 0.00 72.50 68.46 3h0m s THR 58 CO 0.11 -0.18 1.79 -2.84 -0.69 0.00 0.00 174.62 172.81 3h0m s PRO 59 N 3.73 4.16 0.14 4.92 0.02 -1.26 -4.98 135.00 141.74 3h0m s PRO 59 Ca 0.58 2.46 0.01 0.00 0.02 0.00 0.00 61.00 64.07 3h0m s PRO 59 Cb -0.23 -3.85 -0.04 0.00 0.02 0.00 0.00 34.50 30.40 3h0m s PRO 59 CO 0.19 -0.85 0.01 -1.64 -0.33 0.00 0.00 177.00 174.37 3h0m s MET 60 N 3.50 0.98 -0.00 5.54 -1.94 -1.26 -5.16 119.30 120.96 3h0m s MET 60 Ca 0.80 -1.46 0.05 0.00 -1.71 0.00 0.00 55.69 53.37 3h0m s MET 60 Cb -0.41 -0.07 -0.02 0.00 2.01 0.00 0.00 34.83 36.35 3h0m s MET 60 CO 0.36 -0.16 -0.17 0.50 -0.01 0.00 0.00 175.02 175.54 3h0m s ARG 61 N -3.95 1.31 0.71 2.03 3.52 -1.26 -5.14 118.95 116.17 3h0m s ARG 61 Ca 0.21 -0.65 -0.15 0.00 -0.13 0.00 0.00 55.73 55.01 3h0m s ARG 61 Cb 0.07 -1.29 0.03 0.00 -1.56 0.00 0.00 34.95 32.19 3h0m s ARG 61 CO 0.01 0.35 1.18 -1.21 -0.81 0.00 0.00 175.30 174.82 3h0m s GLU 62 N -0.56 2.33 -1.46 5.12 0.41 -1.26 -4.91 118.70 118.36 3h0m s GLU 62 Ca 0.06 1.67 -0.11 0.00 -0.41 0.00 0.00 54.97 56.19 3h0m s GLU 62 Cb -0.07 -1.87 0.03 0.00 -1.78 0.00 0.00 34.13 30.45 3h0m s GLU 62 CO -0.00 -1.67 2.40 -3.47 -0.49 0.00 0.00 175.26 172.03 3h0m n ASP 63 N -2.59 6.06 -4.22 -0.19 2.03 -1.26 -4.90 116.55 111.49 3h0m n ASP 63 Ca 0.13 -2.85 -0.32 0.00 0.52 0.00 0.00 54.79 52.27 3h0m n ASP 63 Cb 0.51 -1.56 -0.17 0.00 -0.72 0.00 0.00 41.12 39.18 3h0m n ASP 63 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3h0m s GLU 64 N 1.84 3.07 0.32 -0.67 2.02 -1.26 -5.12 118.70 118.91 3h0m s GLU 64 Ca 0.53 -0.86 -0.29 0.00 0.02 0.00 0.00 54.97 54.37 3h0m s GLU 64 Cb 0.15 -2.37 -0.11 0.00 0.10 0.00 0.00 34.13 31.90 3h0m s GLU 64 CO -0.06 0.13 1.51 -2.14 0.02 0.00 0.00 175.26 174.71 3h0m s PRO 65 N 0.48 4.15 -0.03 0.39 0.02 -1.26 -5.04 135.00 133.71 3h0m s PRO 65 Ca -0.15 2.51 0.04 0.00 0.02 0.00 0.00 61.00 63.42 3h0m s PRO 65 Cb -0.17 -3.02 -0.03 0.00 0.02 0.00 0.00 34.50 31.30 3h0m s PRO 65 CO 0.06 -0.53 -0.13 -1.01 -0.33 0.00 0.00 177.00 175.05 3h0m s HIS 66 N -0.52 2.72 -0.42 6.54 3.76 -1.26 -5.07 115.29 121.03 3h0m s HIS 66 Ca 0.58 -0.14 -0.43 0.00 -0.15 0.00 0.00 55.06 54.91 3h0m s HIS 66 Cb -0.46 -1.61 -0.18 0.00 1.11 0.00 0.00 32.58 31.45 3h0m s HIS 66 CO 0.54 0.23 1.83 -2.30 -0.85 0.00 0.00 174.74 174.19 3h0m n PRO 67 N 2.10 0.47 -0.77 8.40 -0.02 -1.26 -4.93 135.00 138.98 3h0m n PRO 67 Ca -0.17 0.16 -0.30 0.00 -2.02 0.00 0.00 63.50 61.17 3h0m n PRO 67 Cb 0.52 -1.79 0.18 0.00 -0.02 0.00 0.00 33.50 32.40 3h0m n PRO 67 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3h0m s SER 68 N 4.31 2.54 0.13 2.55 0.01 -1.26 -4.98 113.70 117.00 3h0m s SER 68 Ca 1.07 1.85 -0.30 0.00 1.31 0.00 0.00 55.95 59.88 3h0m s SER 68 Cb -1.30 -2.42 -0.07 0.00 0.21 0.00 0.00 66.02 62.44 3h0m s SER 68 CO 0.70 -3.29 1.15 -0.22 0.41 0.00 0.00 173.24 171.99 3h0m s LEU 69 N -6.68 4.44 0.19 2.44 2.96 -1.26 -4.97 118.68 115.80 3h0m s LEU 69 Ca 0.66 2.08 -0.33 0.00 -0.22 0.00 0.00 54.13 56.32 3h0m s LEU 69 Cb -0.22 -3.59 -0.15 0.00 0.50 0.00 0.00 46.19 42.72 3h0m s LEU 69 CO 0.60 -0.33 1.29 -0.67 -1.32 0.00 0.00 176.35 175.92 3h0m n ASP 70 N 2.96 1.99 0.25 3.68 2.03 -1.26 -4.74 116.55 121.46 3h0m n ASP 70 Ca 0.05 1.14 0.10 0.00 0.52 0.00 0.00 54.79 56.60 3h0m n ASP 70 Cb 0.46 -1.30 0.66 0.00 -0.72 0.00 0.00 41.12 40.22 3h0m n ASP 70 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 3h0m h ARG 71 N 3.92 0.00 -0.34 -0.67 2.43 -1.97 -0.84 114.38 116.91 3h0m h ARG 71 Ca -0.44 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 58.66 3h0m h ARG 71 Cb 1.31 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.85 3h0m h ARG 71 CO 0.74 0.12 -0.04 1.49 -1.51 0.00 0.00 179.97 180.77 3h0m h GLU 72 N 0.00 0.63 -0.46 0.20 4.81 -1.98 -0.92 114.58 116.86 3h0m h GLU 72 Ca -0.00 -0.22 -0.11 0.00 -0.13 0.00 0.00 59.36 58.90 3h0m h GLU 72 Cb 0.25 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 3h0m h GLU 72 CO 0.02 0.77 -0.14 0.87 -0.73 0.00 0.00 179.01 179.79 3h0m h LYS 73 N 0.42 0.86 0.00 1.92 1.57 -1.76 0.38 116.57 119.96 3h0m h LYS 73 Ca 0.09 -0.32 -0.01 0.00 -1.87 0.00 0.00 60.65 58.54 3h0m h LYS 73 Cb 0.52 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 3h0m h LYS 73 CO 0.03 0.95 -0.07 0.00 -0.57 0.00 0.00 179.45 179.79 3h0m h ALA 74 N 1.07 1.74 0.00 3.86 0.00 -1.07 -3.24 119.26 121.62 3h0m h ALA 74 Ca 0.12 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 3h0m h ALA 74 Cb 0.66 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.42 3h0m h ALA 74 CO 0.05 0.08 -1.94 1.28 0.00 0.00 0.00 179.25 178.72 3h0m n LEU 75 N -4.25 0.00 -0.33 0.00 7.99 -0.36 -4.69 117.00 115.36 3h0m n LEU 75 Ca -0.03 0.00 0.29 0.00 -0.01 0.00 0.00 56.01 56.26 3h0m n LEU 75 Cb 0.15 0.17 0.62 0.00 -0.11 0.00 0.00 43.42 44.26 3h0m n LEU 75 CO 0.33 0.17 1.26 0.00 -1.51 0.00 0.00 177.39 177.65 3h0m h MET 76 N 0.00 0.19 -0.00 3.23 -0.00 -0.27 0.20 114.93 118.28 3h0m h MET 76 Ca -0.19 -0.01 0.00 0.00 -0.00 0.00 0.00 59.70 59.50 3h0m h MET 76 Cb 1.33 -0.04 0.00 0.00 -0.00 0.00 0.00 31.60 32.88 3h0m h MET 76 CO 0.01 0.13 -0.29 0.09 -0.00 0.00 0.00 176.91 176.85 3h0m n ASN 77 N -4.44 0.52 -4.69 -0.10 3.02 -1.26 -4.93 115.26 103.38 3h0m n ASN 77 Ca 0.26 -0.33 -0.42 0.00 -0.03 0.00 0.00 54.58 54.07 3h0m n ASN 77 Cb 1.07 0.04 -0.03 0.00 -0.61 0.00 0.00 39.78 40.25 3h0m n ASN 77 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h0m s ALA 78 N -2.79 3.74 0.33 5.41 0.00 0.71 -4.90 121.76 124.26 3h0m s ALA 78 Ca 0.18 1.37 0.10 0.00 0.00 0.00 0.00 51.96 53.60 3h0m s ALA 78 Cb 0.19 -3.74 0.97 0.00 0.00 0.00 0.00 23.12 20.54 3h0m s ALA 78 CO 0.59 -1.18 1.61 -1.35 0.00 0.00 0.00 175.76 175.43 3h0m h PRO 79 N 8.49 0.11 -2.63 0.00 0.11 -1.91 -3.40 132.00 132.77 3h0m h PRO 79 Ca -0.45 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.50 3h0m h PRO 79 Cb 1.21 -0.02 -0.30 0.00 0.11 0.00 0.00 31.00 32.00 3h0m h PRO 79 CO 0.94 0.07 -0.44 -2.00 -0.21 0.00 0.00 178.00 176.36 3h0m s GLU 80 N -5.79 0.25 0.15 1.05 2.12 -1.26 -5.11 118.70 110.11 3h0m s GLU 80 Ca -0.11 0.89 0.11 0.00 0.36 0.00 0.00 54.97 56.21 3h0m s GLU 80 Cb 0.30 0.13 -0.04 0.00 0.26 0.00 0.00 34.13 34.77 3h0m s GLU 80 CO 0.78 -0.29 -0.24 -0.98 -0.54 0.00 0.00 175.26 173.99 3h0m s ARG 81 N 2.53 1.53 -0.16 4.30 1.70 -1.26 -1.51 118.95 126.08 3h0m s ARG 81 Ca 0.00 -1.38 -0.07 0.00 -0.47 0.00 0.00 55.73 53.81 3h0m s ARG 81 Cb -0.12 -1.93 0.07 0.00 -0.57 0.00 0.00 34.95 32.40 3h0m s ARG 81 CO -0.11 0.44 0.35 0.21 -1.08 0.00 0.00 175.30 175.10 3h0m s LYS 82 N -2.32 0.28 -1.12 3.89 2.20 -0.65 -4.95 119.74 117.06 3h0m s LYS 82 Ca 0.17 0.81 0.00 0.00 -0.36 0.00 0.00 55.97 56.60 3h0m s LYS 82 Cb -0.09 0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.29 3h0m s LYS 82 CO 0.08 -0.22 0.00 -0.25 -0.36 0.00 0.00 175.35 174.60 3h0m n ASP 83 N 4.88 -3.94 0.00 1.43 8.00 -1.26 -0.78 116.55 124.89 3h0m n ASP 83 Ca -0.15 0.20 0.00 0.00 0.71 0.00 0.00 54.79 55.55 3h0m n ASP 83 Cb 0.52 -3.38 0.00 0.00 -0.02 0.00 0.00 41.12 38.24 3h0m n ASP 83 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3h0m n GLY 84 N -0.75 0.72 3.63 0.44 0.00 -1.26 -5.08 105.19 102.89 3h0m n GLY 84 Ca -0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 3h0m n GLY 84 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3h0m s PHE 85 N -2.44 2.94 0.46 1.61 0.08 0.04 -5.10 117.98 115.58 3h0m s PHE 85 Ca 0.00 -0.01 -0.23 0.00 0.12 0.00 0.00 56.93 56.81 3h0m s PHE 85 Cb 0.00 -1.60 -0.07 0.00 -0.57 0.00 0.00 43.02 40.78 3h0m s PHE 85 CO 0.00 0.42 1.15 -0.06 -0.10 0.00 0.00 175.22 176.63 3h0m s PHE 86 N -1.10 2.89 -0.21 0.36 0.08 -1.26 -1.64 117.98 117.10 3h0m s PHE 86 Ca 0.20 1.55 -0.00 0.00 0.12 0.00 0.00 56.93 58.79 3h0m s PHE 86 Cb -0.11 -3.34 0.06 0.00 -0.57 0.00 0.00 43.02 39.05 3h0m s PHE 86 CO 0.11 -1.43 -0.04 0.08 -0.10 0.00 0.00 175.22 173.84 3h0m s VAL 87 N -1.59 1.24 0.23 -0.44 1.01 -0.57 -4.86 120.40 115.43 3h0m s VAL 87 Ca 0.64 -0.95 0.01 0.00 0.00 0.00 0.00 61.98 61.68 3h0m s VAL 87 Cb -0.27 -1.53 0.01 0.00 0.00 0.00 0.00 36.38 34.59 3h0m s VAL 87 CO 0.33 -0.06 0.10 1.33 0.00 0.00 0.00 175.10 176.80 3h0m n VAL 88 N 4.79 0.00 -2.37 2.92 0.24 -1.26 -4.40 118.33 118.25 3h0m n VAL 88 Ca -0.11 -0.98 -0.41 0.00 -2.04 0.00 0.00 64.34 60.80 3h0m n VAL 88 Cb 0.46 -0.08 -0.04 0.00 -1.47 0.00 0.00 33.84 32.70 3h0m n VAL 88 CO 0.00 0.00 0.00 -2.16 -2.14 0.00 0.00 176.83 172.53 3h0m s PRO 89 N -2.90 4.54 0.09 7.34 0.04 -1.26 -4.93 135.00 137.92 3h0m s PRO 89 Ca 0.08 1.91 -0.33 0.00 0.04 0.00 0.00 61.00 62.69 3h0m s PRO 89 Cb -0.01 -3.18 -0.18 0.00 0.04 0.00 0.00 34.50 31.17 3h0m s PRO 89 CO 0.05 0.05 0.78 -2.13 0.04 0.00 0.00 177.00 175.79 3h0m n ARG 90 N 1.50 0.00 -4.00 4.56 0.63 -1.26 -4.99 116.66 113.10 3h0m n ARG 90 Ca 0.01 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.62 3h0m n ARG 90 Cb 0.44 -1.22 -0.06 0.00 0.45 0.00 0.00 32.46 32.07 3h0m n ARG 90 CO 0.00 0.00 0.00 0.14 -2.51 0.00 0.00 177.63 175.26 3h0m s VAL 91 N -0.45 5.03 -2.39 5.15 -7.23 -1.26 -5.33 120.40 113.93 3h0m s VAL 91 Ca 0.76 -0.40 0.29 0.00 -1.81 0.00 0.00 61.98 60.82 3h0m s VAL 91 Cb -1.07 -3.37 0.63 0.00 0.56 0.00 0.00 36.38 33.12 3h0m s VAL 91 CO 0.55 0.26 1.85 1.33 -0.31 0.00 0.00 175.10 178.78