#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tru s VAL 2 N 0.00 0.13 -0.23 3.17 1.01 -1.26 -3.58 120.40 119.64 1tru s VAL 2 Ca 0.00 -1.46 -0.03 0.00 0.00 0.00 0.00 61.98 60.49 1tru s VAL 2 Cb 0.00 -1.60 0.12 0.00 0.00 0.00 0.00 36.38 34.90 1tru s VAL 2 CO 0.00 -0.60 0.37 -0.75 0.00 0.00 0.00 175.10 174.12 1tru s LYS 3 N -3.93 0.33 -0.12 2.72 2.20 -0.84 -4.97 119.74 115.13 1tru s LYS 3 Ca 0.11 0.59 -0.29 0.00 -0.36 0.00 0.00 55.97 56.03 1tru s LYS 3 Cb 0.05 -0.39 -0.01 0.00 -1.51 0.00 0.00 37.83 35.97 1tru s LYS 3 CO -0.06 -0.57 1.00 -1.14 -0.36 0.00 0.00 175.35 174.21 1tru s GLN 4 N 2.54 4.39 -0.43 4.03 0.74 -1.26 -2.26 119.66 127.40 1tru s GLN 4 Ca 0.10 1.36 -0.23 0.00 0.05 0.00 0.00 55.36 56.63 1tru s GLN 4 Cb -0.15 -3.56 0.02 0.00 1.10 0.00 0.00 33.01 30.43 1tru s GLN 4 CO -0.15 -0.35 0.79 0.42 -0.55 0.00 0.00 175.29 175.45 1tru s ILE 5 N 2.15 4.66 -0.36 -2.34 -1.09 -1.09 -4.88 121.20 118.24 1tru s ILE 5 Ca 0.47 0.52 0.23 0.00 -2.23 0.00 0.00 60.65 59.64 1tru s ILE 5 Cb -0.18 -4.30 0.03 0.00 -1.58 0.00 0.00 42.46 36.42 1tru s ILE 5 CO 0.16 -0.67 1.14 -0.33 -1.23 0.00 0.00 174.94 174.01 1tru h GLU 6 N 8.89 0.00 -3.01 2.79 5.08 -1.94 -3.42 114.58 122.97 1tru h GLU 6 Ca -0.25 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.11 1tru h GLU 6 Cb 1.09 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.23 1tru h GLU 6 CO 0.95 0.00 0.20 -1.54 -1.00 0.00 0.00 179.01 177.63 1tru s SER 7 N -5.08 -0.51 0.61 1.42 1.04 -1.26 -4.38 113.70 105.54 1tru s SER 7 Ca 0.02 -0.11 0.29 0.00 0.48 0.00 0.00 55.95 56.62 1tru s SER 7 Cb 0.10 0.62 1.55 0.00 0.10 0.00 0.00 66.02 68.39 1tru s SER 7 CO 0.77 -1.03 1.94 0.50 0.98 0.00 0.00 173.24 176.39 1tru h LYS 8 N 2.01 0.00 0.68 4.02 3.64 -1.93 -1.64 116.57 123.36 1tru h LYS 8 Ca -0.31 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.03 1tru h LYS 8 Cb 1.30 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.12 1tru h LYS 8 CO 0.36 0.00 -0.33 1.15 -2.27 0.00 0.00 179.45 178.36 1tru h THR 9 N 0.00 0.32 0.00 1.00 2.02 -2.00 -2.03 112.91 112.22 1tru h THR 9 Ca 0.13 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.30 1tru h THR 9 Cb 0.92 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1tru h THR 9 CO -0.00 0.00 -0.05 0.00 0.37 0.00 0.00 175.52 175.83 1tru h ALA 10 N -0.60 1.26 0.34 6.16 0.00 -1.71 -2.87 119.26 121.84 1tru h ALA 10 Ca -0.09 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 1tru h ALA 10 Cb 0.71 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1tru h ALA 10 CO 0.15 0.07 -0.16 0.35 0.00 0.00 0.00 179.25 179.66 1tru h PHE 11 N 0.00 -0.42 0.53 0.00 3.57 -1.09 0.37 116.94 119.91 1tru h PHE 11 Ca -0.00 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.46 1tru h PHE 11 Cb 0.20 0.14 0.01 0.00 2.79 0.00 0.00 35.95 39.08 1tru h PHE 11 CO 0.00 -0.23 -0.25 1.96 -2.23 0.00 0.00 178.31 177.56 1tru h GLN 12 N -0.50 -0.68 -0.10 1.11 4.20 -1.28 -2.26 115.11 115.58 1tru h GLN 12 Ca -0.05 0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.74 1tru h GLN 12 Cb 0.38 0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.31 1tru h GLN 12 CO 0.08 -0.39 0.09 0.93 -0.67 0.00 0.00 178.83 178.87 1tru h GLU 13 N -0.89 0.00 -0.33 1.46 5.08 -1.55 -1.56 114.58 116.78 1tru h GLU 13 Ca -0.07 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.14 1tru h GLU 13 Cb 0.61 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.86 1tru h GLU 13 CO 0.12 0.00 -0.37 0.00 -1.00 0.00 0.00 179.01 177.76 1tru h ALA 14 N 1.92 0.49 -0.16 3.43 0.00 0.06 0.53 119.26 125.52 1tru h ALA 14 Ca 0.05 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.45 1tru h ALA 14 Cb 0.23 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1tru h ALA 14 CO -0.00 0.57 -0.15 -0.07 0.00 0.00 0.00 179.25 179.61 1tru h LEU 15 N 0.61 0.41 -1.04 0.00 3.38 -0.73 -1.84 115.31 116.11 1tru h LEU 15 Ca 0.05 -0.47 -0.09 0.00 0.09 0.00 0.00 57.88 57.46 1tru h LEU 15 Cb 0.96 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1tru h LEU 15 CO 0.09 0.79 -0.34 -0.78 0.09 0.00 0.00 178.44 178.29 1tru h ASP 16 N 0.04 0.26 0.43 -0.43 3.58 -1.42 -2.57 116.42 116.31 1tru h ASP 16 Ca 0.03 -0.09 -0.11 0.00 0.42 0.00 0.00 57.03 57.27 1tru h ASP 16 Cb 0.67 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 41.64 1tru h ASP 16 CO 0.04 0.59 -0.50 0.00 -2.88 0.00 0.00 179.24 176.48 1tru h ALA 17 N 1.43 1.11 -0.23 -0.78 0.00 -0.78 -2.78 119.26 117.23 1tru h ALA 17 Ca 0.03 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 1tru h ALA 17 Cb 0.71 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1tru h ALA 17 CO 0.05 0.64 0.01 0.00 0.00 0.00 0.00 179.25 179.96 1tru h ALA 18 N 1.43 1.60 0.00 0.00 0.00 -0.91 -3.48 119.26 117.91 1tru h ALA 18 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1tru h ALA 18 Cb 0.91 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1tru h ALA 18 CO 0.07 0.30 0.00 0.41 0.00 0.00 0.00 179.25 180.03 1tru n GLY 19 N -1.12 1.60 0.54 0.00 0.00 -1.05 -3.38 105.19 101.78 1tru n GLY 19 Ca 0.00 -0.63 0.05 0.00 0.00 0.00 0.00 46.02 45.44 1tru n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1tru n ASP 20 N 7.19 2.87 -4.83 1.61 9.92 -1.26 -3.85 116.55 128.20 1tru n ASP 20 Ca 0.00 -2.15 -0.31 0.00 -0.53 0.00 0.00 54.79 51.80 1tru n ASP 20 Cb 0.00 -0.23 0.06 0.00 -0.64 0.00 0.00 41.12 40.30 1tru n ASP 20 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1tru s LYS 21 N -1.27 2.74 0.79 -1.24 1.02 -1.22 -4.81 119.74 115.75 1tru s LYS 21 Ca 0.22 0.77 -0.13 0.00 0.02 0.00 0.00 55.97 56.84 1tru s LYS 21 Cb 0.13 -1.98 0.07 0.00 -0.52 0.00 0.00 37.83 35.53 1tru s LYS 21 CO 0.12 -1.19 1.18 -1.17 -0.92 0.00 0.00 175.35 173.36 1tru s LEU 22 N -5.55 3.14 -0.32 3.17 0.20 -1.26 -4.58 118.68 113.48 1tru s LEU 22 Ca 0.59 2.26 0.01 0.00 0.69 0.00 0.00 54.13 57.67 1tru s LEU 22 Cb -0.13 -4.58 0.14 0.00 -0.43 0.00 0.00 46.19 41.19 1tru s LEU 22 CO 0.54 -2.52 0.31 -0.69 -0.29 0.00 0.00 176.35 173.70 1tru s VAL 23 N -2.27 -0.33 -0.30 1.68 1.01 -0.95 -2.82 120.40 116.41 1tru s VAL 23 Ca 0.71 -0.74 -0.13 0.00 0.00 0.00 0.00 61.98 61.83 1tru s VAL 23 Cb -0.26 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 1tru s VAL 23 CO 0.50 -0.55 0.25 -0.69 0.00 0.00 0.00 175.10 174.61 1tru s VAL 24 N 1.98 5.27 -0.09 2.92 1.01 -0.92 -0.15 120.40 130.41 1tru s VAL 24 Ca 0.12 0.09 -0.12 0.00 0.00 0.00 0.00 61.98 62.08 1tru s VAL 24 Cb -0.15 -3.64 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 1tru s VAL 24 CO -0.22 0.12 0.28 -0.69 0.00 0.00 0.00 175.10 174.60 1tru s VAL 25 N 1.82 5.27 -0.31 2.92 1.01 0.67 -2.49 120.40 129.29 1tru s VAL 25 Ca 0.08 0.54 -0.05 0.00 0.00 0.00 0.00 61.98 62.55 1tru s VAL 25 Cb -0.16 -3.59 0.03 0.00 0.00 0.00 0.00 36.38 32.66 1tru s VAL 25 CO 0.11 0.53 0.07 -0.62 0.00 0.00 0.00 175.10 175.18 1tru s ASP 26 N -0.53 5.11 -0.54 3.32 2.15 -0.77 -1.17 116.67 124.25 1tru s ASP 26 Ca 0.18 -1.04 -0.16 0.00 0.43 0.00 0.00 52.55 51.96 1tru s ASP 26 Cb -0.14 -1.83 0.12 0.00 -0.30 0.00 0.00 42.92 40.77 1tru s ASP 26 CO 0.07 -0.27 0.51 -0.36 -0.17 0.00 0.00 175.17 174.96 1tru s PHE 27 N 1.39 3.21 0.22 -5.34 0.08 -0.02 -2.85 117.98 114.68 1tru s PHE 27 Ca -0.01 -1.17 -0.03 0.00 0.12 0.00 0.00 56.93 55.83 1tru s PHE 27 Cb -0.19 -3.72 -0.03 0.00 -0.57 0.00 0.00 43.02 38.51 1tru s PHE 27 CO 0.01 -1.02 0.21 -1.12 -0.10 0.00 0.00 175.22 173.20 1tru s SER 28 N 3.43 0.17 -0.58 1.36 0.01 -1.22 -1.52 113.70 115.34 1tru s SER 28 Ca 0.04 -1.32 -0.18 0.00 1.31 0.00 0.00 55.95 55.81 1tru s SER 28 Cb -0.28 0.43 0.12 0.00 0.21 0.00 0.00 66.02 66.49 1tru s SER 28 CO 0.04 -0.91 0.64 0.00 0.41 0.00 0.00 173.24 173.42 1tru s ALA 29 N -4.09 3.51 0.55 1.44 0.00 -1.26 -3.14 121.76 118.76 1tru s ALA 29 Ca 0.36 -2.37 0.27 0.00 0.00 0.00 0.00 51.96 50.22 1tru s ALA 29 Cb 0.05 -3.44 1.45 0.00 0.00 0.00 0.00 23.12 21.18 1tru s ALA 29 CO 0.12 -2.24 1.99 0.00 0.00 0.00 0.00 175.76 175.63 1tru h THR 30 N 5.89 0.63 -0.03 0.00 1.03 -1.95 0.83 112.91 119.31 1tru h THR 30 Ca -0.28 0.00 -0.26 0.00 -0.01 0.00 0.00 66.41 65.86 1tru h THR 30 Cb 1.09 0.73 0.02 0.00 -1.07 0.00 0.00 68.15 68.91 1tru h THR 30 CO 1.07 0.00 -0.99 4.11 -0.01 0.00 0.00 175.52 179.71 1tru h TRP 31 N 0.00 1.00 -2.80 0.00 5.08 -2.02 -3.45 115.95 113.77 1tru h TRP 31 Ca 0.23 -0.53 -0.48 0.00 1.08 0.00 0.00 58.89 59.19 1tru h TRP 31 Cb 0.98 -0.12 0.23 0.00 -3.00 0.00 0.00 29.16 27.24 1tru h TRP 31 CO 0.00 1.36 -0.77 0.00 -1.28 0.00 0.00 178.44 177.75 1tru n GLY 33 N 1.70 -0.38 0.36 0.00 0.00 -1.26 -3.89 105.19 101.71 1tru n GLY 33 Ca 0.03 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.22 1tru n GLY 33 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1tru h PRO 34 N 0.00 0.00 0.04 1.61 0.11 -1.96 0.09 132.00 131.90 1tru h PRO 34 Ca 0.00 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.03 1tru h PRO 34 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1tru h PRO 34 CO 0.00 0.00 -0.40 0.00 -0.21 0.00 0.00 178.00 177.39 1tru n LYS 36 N -4.43 0.03 0.12 0.00 4.81 -0.10 -2.21 118.16 116.37 1tru n LYS 36 Ca -0.14 0.34 0.11 0.00 -0.87 0.00 0.00 58.31 57.75 1tru n LYS 36 Cb 0.61 -1.56 0.48 0.00 0.02 0.00 0.00 35.03 34.59 1tru n LYS 36 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1tru n MET 37 N -1.60 0.17 -0.98 1.64 2.81 -0.48 -2.29 117.12 116.38 1tru n MET 37 Ca 0.02 0.44 -0.12 0.00 -1.81 0.00 0.00 57.70 56.24 1tru n MET 37 Cb 0.13 -1.85 0.23 0.00 -0.71 0.00 0.00 33.22 31.02 1tru n MET 37 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1tru n ILE 38 N -2.17 2.77 0.04 2.02 5.41 -0.94 -4.36 119.36 122.13 1tru n ILE 38 Ca 0.02 -1.53 0.02 0.00 1.00 0.00 0.00 62.75 62.25 1tru n ILE 38 Cb 0.19 -0.46 -0.07 0.00 -0.71 0.00 0.00 39.64 38.60 1tru n ILE 38 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 1tru h LYS 39 N 1.80 0.00 0.00 0.38 2.10 -1.69 -3.26 116.57 115.90 1tru h LYS 39 Ca 0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.02 1tru h LYS 39 Cb 2.37 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.70 1tru h LYS 39 CO 0.79 0.25 0.00 -0.35 -2.00 0.00 0.00 179.45 178.14 1tru n PRO 40 N -2.87 0.70 0.00 0.07 -0.04 -1.26 -2.80 135.00 128.80 1tru n PRO 40 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1tru n PRO 40 Cb 0.80 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.97 1tru n PRO 40 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1tru n PHE 41 N -0.79 0.00 0.37 0.54 3.72 -1.25 -4.37 117.46 115.68 1tru n PHE 41 Ca 0.10 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.35 1tru n PHE 41 Cb 0.04 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.52 1tru n PHE 41 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 1tru h PHE 42 N 0.00 -0.89 0.00 1.38 3.57 -1.69 -1.85 116.94 117.46 1tru h PHE 42 Ca 0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1tru h PHE 42 Cb 0.00 0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.03 1tru h PHE 42 CO 0.00 -0.55 0.00 1.58 -2.23 0.00 0.00 178.31 177.11 1tru n HIS 43 N -4.56 0.00 0.04 0.41 -0.00 -1.12 -1.91 115.22 108.08 1tru n HIS 43 Ca -0.12 0.00 0.02 0.00 0.46 0.00 0.00 57.72 58.08 1tru n HIS 43 Cb 0.38 -0.18 -0.07 0.00 -0.12 0.00 0.00 29.99 29.99 1tru n HIS 43 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1tru n SER 44 N -1.18 0.86 0.00 0.26 2.88 -0.75 -3.81 113.62 111.89 1tru n SER 44 Ca 0.06 0.37 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 1tru n SER 44 Cb 0.06 0.20 0.00 0.00 -0.75 0.00 0.00 64.21 63.72 1tru n SER 44 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1tru n LEU 45 N -2.85 0.00 -0.23 2.46 4.77 -0.80 -1.93 117.00 118.42 1tru n LEU 45 Ca -0.08 0.44 0.05 0.00 -0.03 0.00 0.00 56.01 56.39 1tru n LEU 45 Cb 0.79 -0.44 0.31 0.00 -2.33 0.00 0.00 43.42 41.75 1tru n LEU 45 CO 0.42 -0.44 1.23 0.28 -1.33 0.00 0.00 177.39 177.56 1tru h SER 46 N 0.00 0.76 0.93 -1.43 0.02 -1.76 0.55 113.55 112.62 1tru h SER 46 Ca 0.00 0.00 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 1tru h SER 46 Cb 0.00 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 1tru h SER 46 CO 0.00 0.50 -1.12 -0.33 -1.14 0.00 0.00 176.83 174.73 1tru h GLU 47 N 0.87 0.00 0.00 3.45 3.07 -1.69 -3.35 114.58 116.93 1tru h GLU 47 Ca 0.34 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.16 1tru h GLU 47 Cb 0.21 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.12 1tru h GLU 47 CO -0.12 0.19 -0.36 -0.22 -1.40 0.00 0.00 179.01 177.11 1tru h LYS 48 N 0.00 0.00 -3.55 2.33 3.64 -1.38 -3.42 116.57 114.20 1tru h LYS 48 Ca -0.08 0.00 -0.72 0.00 -1.27 0.00 0.00 60.65 58.57 1tru h LYS 48 Cb 1.33 0.00 -0.33 0.00 -0.41 0.00 0.00 32.23 32.82 1tru h LYS 48 CO 0.03 0.32 -0.14 0.71 -2.27 0.00 0.00 179.45 178.09 1tru s TYR 49 N -2.01 3.66 -1.16 1.91 2.02 0.18 -4.88 117.35 117.08 1tru s TYR 49 Ca -0.12 -2.66 0.17 0.00 -0.37 0.00 0.00 57.07 54.09 1tru s TYR 49 Cb 0.01 -3.37 0.78 0.00 -0.40 0.00 0.00 41.96 38.98 1tru s TYR 49 CO 0.28 -0.85 1.54 -1.13 -1.57 0.00 0.00 175.55 173.81 1tru n SER 50 N 3.20 0.00 -2.19 2.29 3.41 -1.26 -2.89 113.62 116.18 1tru n SER 50 Ca 0.14 0.33 -0.25 0.00 -0.26 0.00 0.00 58.87 58.83 1tru n SER 50 Cb 0.39 -0.42 0.15 0.00 -0.26 0.00 0.00 64.21 64.07 1tru n SER 50 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1tru n ASN 51 N -1.42 4.63 -4.02 4.04 5.15 -1.26 -4.35 115.26 118.03 1tru n ASN 51 Ca 0.06 -3.57 -0.18 0.00 -0.60 0.00 0.00 54.58 50.29 1tru n ASN 51 Cb 0.18 -0.86 -0.14 0.00 -0.53 0.00 0.00 39.78 38.42 1tru n ASN 51 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1tru s VAL 52 N -3.47 0.67 -0.34 3.44 1.01 -1.14 -4.69 120.40 115.87 1tru s VAL 52 Ca 0.56 -0.41 -0.15 0.00 0.00 0.00 0.00 61.98 61.98 1tru s VAL 52 Cb 0.46 -0.57 -0.01 0.00 0.00 0.00 0.00 36.38 36.26 1tru s VAL 52 CO 0.08 0.16 0.33 -0.63 0.00 0.00 0.00 175.10 175.04 1tru s ILE 53 N -0.26 5.20 -0.17 2.22 -1.09 -1.13 -3.71 121.20 122.26 1tru s ILE 53 Ca 0.03 -0.03 -0.04 0.00 -2.23 0.00 0.00 60.65 58.38 1tru s ILE 53 Cb -0.04 -3.80 -0.03 0.00 -1.58 0.00 0.00 42.46 37.02 1tru s ILE 53 CO -0.00 -0.08 -0.03 -0.36 -1.23 0.00 0.00 174.94 173.24 1tru s PHE 54 N 1.94 3.01 -0.11 3.97 0.08 -1.23 -2.17 117.98 123.47 1tru s PHE 54 Ca 0.10 -0.37 -0.03 0.00 0.12 0.00 0.00 56.93 56.75 1tru s PHE 54 Cb -0.17 -1.98 -0.03 0.00 -0.57 0.00 0.00 43.02 40.27 1tru s PHE 54 CO 0.11 -0.11 -0.01 -0.51 -0.10 0.00 0.00 175.22 174.61 1tru s LEU 55 N 0.54 3.48 -0.37 -0.37 1.02 -1.04 -1.98 118.68 119.95 1tru s LEU 55 Ca -0.03 0.05 -0.03 0.00 0.02 0.00 0.00 54.13 54.14 1tru s LEU 55 Cb -0.14 -1.81 0.09 0.00 0.02 0.00 0.00 46.19 44.34 1tru s LEU 55 CO 0.03 0.30 0.14 -0.70 0.02 0.00 0.00 176.35 176.14 1tru s GLU 56 N -0.41 2.17 -0.19 1.70 2.12 -0.96 -1.84 118.70 121.29 1tru s GLU 56 Ca 0.07 -1.61 -0.07 0.00 0.36 0.00 0.00 54.97 53.72 1tru s GLU 56 Cb -0.12 -3.47 -0.04 0.00 0.26 0.00 0.00 34.13 30.76 1tru s GLU 56 CO 0.02 -0.92 0.05 0.08 -0.54 0.00 0.00 175.26 173.96 1tru s VAL 57 N 1.20 4.59 -0.32 3.70 1.01 -1.13 -2.68 120.40 126.77 1tru s VAL 57 Ca 0.04 -0.10 -0.15 0.00 0.00 0.00 0.00 61.98 61.77 1tru s VAL 57 Cb -0.22 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.06 1tru s VAL 57 CO -0.03 0.44 0.38 -0.62 0.00 0.00 0.00 175.10 175.27 1tru s ASP 58 N 0.63 6.21 0.00 3.32 2.15 -1.26 -3.43 116.67 124.29 1tru s ASP 58 Ca 0.03 -0.03 0.01 0.00 0.43 0.00 0.00 52.55 52.99 1tru s ASP 58 Cb -0.13 -2.21 0.07 0.00 -0.30 0.00 0.00 42.92 40.35 1tru s ASP 58 CO 0.02 -0.30 0.31 1.33 -0.17 0.00 0.00 175.17 176.36 1tru n VAL 59 N 5.22 0.00 -0.04 1.11 0.24 -1.19 -1.03 118.33 122.64 1tru n VAL 59 Ca -0.08 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.17 1tru n VAL 59 Cb 0.50 -0.52 -0.03 0.00 -1.47 0.00 0.00 33.84 32.32 1tru n VAL 59 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1tru n ASP 60 N -0.61 3.45 0.00 -1.34 9.92 -1.26 -4.42 116.55 122.30 1tru n ASP 60 Ca 0.01 -0.04 -0.22 0.00 -0.53 0.00 0.00 54.79 54.02 1tru n ASP 60 Cb 0.00 -0.07 -0.14 0.00 -0.64 0.00 0.00 41.12 40.28 1tru n ASP 60 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1tru h ASP 61 N 0.00 0.37 -2.03 -2.24 1.82 -1.82 -3.37 116.42 109.15 1tru h ASP 61 Ca -0.16 -0.85 -0.75 0.00 -0.39 0.00 0.00 57.03 54.88 1tru h ASP 61 Cb 1.26 -0.12 -0.30 0.00 0.68 0.00 0.00 39.33 40.85 1tru h ASP 61 CO -0.02 1.68 0.74 0.00 -1.61 0.00 0.00 179.24 180.03 1tru n ALA 62 N -3.01 6.12 0.19 -0.78 0.00 -0.20 -4.74 120.51 118.09 1tru n ALA 62 Ca -0.27 -4.32 0.12 0.00 0.00 0.00 0.00 53.44 48.97 1tru n ALA 62 Cb 0.93 -1.80 0.63 0.00 0.00 0.00 0.00 19.45 19.20 1tru n ALA 62 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1tru h GLN 63 N 3.29 0.00 -0.22 0.00 4.20 -1.74 -0.46 115.11 120.18 1tru h GLN 63 Ca 0.50 0.00 -0.20 0.00 0.06 0.00 0.00 58.65 59.02 1tru h GLN 63 Cb 0.24 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1tru h GLN 63 CO 1.26 0.00 -0.64 0.38 -0.67 0.00 0.00 178.83 179.16 1tru h ASP 64 N 0.00 0.89 0.29 1.46 3.04 -1.93 -1.02 116.42 119.15 1tru h ASP 64 Ca 0.00 -0.52 -0.21 0.00 -3.24 0.00 0.00 57.03 53.06 1tru h ASP 64 Cb 0.12 -0.26 -0.00 0.00 -1.04 0.00 0.00 39.33 38.15 1tru h ASP 64 CO 0.00 1.30 -0.85 0.58 -2.04 0.00 0.00 179.24 178.23 1tru h VAL 65 N 0.57 1.39 -0.25 4.15 2.07 -1.47 -2.60 116.25 120.11 1tru h VAL 65 Ca -0.01 -2.31 -0.10 0.00 0.82 0.00 0.00 66.70 65.10 1tru h VAL 65 Cb 1.24 2.28 -0.01 0.00 -1.52 0.00 0.00 31.29 33.28 1tru h VAL 65 CO 0.13 0.69 -0.26 0.00 0.02 0.00 0.00 177.57 178.15 1tru h ALA 66 N 0.82 1.08 0.17 1.67 0.00 -1.41 0.25 119.26 121.84 1tru h ALA 66 Ca -0.06 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1tru h ALA 66 Cb 1.46 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1tru h ALA 66 CO 0.15 0.57 -0.08 0.66 0.00 0.00 0.00 179.25 180.54 1tru h SER 67 N 0.43 -0.19 -0.47 0.00 4.64 -1.12 -0.82 113.55 116.01 1tru h SER 67 Ca 0.06 -0.32 -0.03 0.00 -0.47 0.00 0.00 61.79 61.03 1tru h SER 67 Cb 0.69 0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 62.80 1tru h SER 67 CO 0.05 0.27 0.19 -0.08 -0.87 0.00 0.00 176.83 176.39 1tru h GLU 68 N -0.72 0.76 0.00 4.77 4.22 -1.44 -0.72 114.58 121.45 1tru h GLU 68 Ca -0.02 -0.12 0.00 0.00 0.08 0.00 0.00 59.36 59.30 1tru h GLU 68 Cb 0.50 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1tru h GLU 68 CO 0.04 0.64 0.00 0.00 -2.18 0.00 0.00 179.01 177.51 1tru h ALA 69 N 1.46 1.00 -5.75 2.92 0.00 -0.91 -3.47 119.26 114.51 1tru h ALA 69 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.73 1tru h ALA 69 Cb 0.17 0.00 0.15 0.00 0.00 0.00 0.00 17.79 18.11 1tru h ALA 69 CO -0.01 0.00 -0.75 -1.91 0.00 0.00 0.00 179.25 176.58 1tru n GLU 70 N -2.42 -6.84 -2.93 0.00 0.00 -0.28 -4.93 120.64 103.24 1tru n GLU 70 Ca 0.03 0.82 -0.42 0.00 0.00 0.00 0.00 57.16 57.59 1tru n GLU 70 Cb 0.33 -5.81 -0.05 0.00 0.00 0.00 0.00 31.44 25.90 1tru n GLU 70 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.13 177.21 1tru s VAL 71 N -3.37 4.68 -0.07 6.31 1.01 -0.95 -4.85 120.40 123.16 1tru s VAL 71 Ca 0.18 0.85 0.10 0.00 0.00 0.00 0.00 61.98 63.10 1tru s VAL 71 Cb -0.08 -4.26 0.15 0.00 0.00 0.00 0.00 36.38 32.19 1tru s VAL 71 CO 0.74 -0.52 1.04 0.29 0.00 0.00 0.00 175.10 176.65 1tru n LYS 72 N 6.57 1.56 -3.31 2.72 5.02 -1.26 -4.91 118.16 124.55 1tru n LYS 72 Ca 0.04 -1.93 -0.11 0.00 -2.02 0.00 0.00 58.31 54.29 1tru n LYS 72 Cb 0.48 -1.16 -0.05 0.00 -0.02 0.00 0.00 35.03 34.27 1tru n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1tru s ALA 73 N -1.78 -1.05 0.22 7.82 0.00 -1.26 -5.15 121.76 120.56 1tru s ALA 73 Ca 0.16 -0.59 -0.02 0.00 0.00 0.00 0.00 51.96 51.51 1tru s ALA 73 Cb 0.14 -2.27 -0.05 0.00 0.00 0.00 0.00 23.12 20.95 1tru s ALA 73 CO 0.02 -2.16 0.44 0.95 0.00 0.00 0.00 175.76 175.00 1tru s THR 74 N 1.58 5.15 0.50 0.00 -4.23 -1.26 -4.06 115.64 113.31 1tru s THR 74 Ca 0.17 -0.21 -0.19 0.00 -1.18 0.00 0.00 61.69 60.28 1tru s THR 74 Cb -0.12 -3.72 -0.08 0.00 1.34 0.00 0.00 72.50 69.92 1tru s THR 74 CO -0.05 -0.20 1.01 -2.16 -0.54 0.00 0.00 174.62 172.68 1tru s PRO 75 N -3.33 3.85 -0.04 3.99 0.04 -1.26 -5.02 135.00 133.24 1tru s PRO 75 Ca 0.40 1.19 -0.01 0.00 0.04 0.00 0.00 61.00 62.61 1tru s PRO 75 Cb -0.11 -2.11 0.03 0.00 0.04 0.00 0.00 34.50 32.35 1tru s PRO 75 CO 0.29 -0.36 0.04 0.99 0.04 0.00 0.00 177.00 177.99 1tru s THR 76 N -2.25 0.02 -0.17 1.26 2.01 -0.57 -3.37 115.64 112.57 1tru s THR 76 Ca 0.63 0.30 -0.07 0.00 0.31 0.00 0.00 61.69 62.87 1tru s THR 76 Cb -0.13 -0.22 -0.04 0.00 0.01 0.00 0.00 72.50 72.12 1tru s THR 76 CO 0.24 0.18 0.06 -0.36 -0.69 0.00 0.00 174.62 174.04 1tru s PHE 77 N 1.84 3.26 0.04 4.92 0.08 -1.12 -0.84 117.98 126.16 1tru s PHE 77 Ca 0.01 0.10 0.09 0.00 0.12 0.00 0.00 56.93 57.25 1tru s PHE 77 Cb -0.12 -2.03 -0.03 0.00 -0.57 0.00 0.00 43.02 40.27 1tru s PHE 77 CO -0.03 0.22 -0.25 -0.65 -0.10 0.00 0.00 175.22 174.41 1tru s GLN 78 N 0.12 1.75 -0.37 0.44 -0.21 -0.31 -2.02 119.66 119.06 1tru s GLN 78 Ca 0.05 -1.07 -0.06 0.00 0.02 0.00 0.00 55.36 54.29 1tru s GLN 78 Cb -0.12 -1.90 0.07 0.00 1.00 0.00 0.00 33.01 32.05 1tru s GLN 78 CO 0.01 0.49 0.16 -0.06 -2.12 0.00 0.00 175.29 173.78 1tru s PHE 79 N -0.79 3.34 0.23 0.91 0.40 0.57 -0.24 117.98 122.41 1tru s PHE 79 Ca 0.11 -1.67 0.07 0.00 -0.60 0.00 0.00 56.93 54.84 1tru s PHE 79 Cb -0.10 -2.66 -0.04 0.00 0.51 0.00 0.00 43.02 40.74 1tru s PHE 79 CO 0.02 -0.82 0.14 -0.06 0.70 0.00 0.00 175.22 175.20 1tru s PHE 80 N 1.35 3.05 -0.21 0.36 0.08 0.79 -1.85 117.98 121.54 1tru s PHE 80 Ca 0.01 -0.11 -0.13 0.00 0.12 0.00 0.00 56.93 56.83 1tru s PHE 80 Cb -0.21 -1.39 0.07 0.00 -0.57 0.00 0.00 43.02 40.91 1tru s PHE 80 CO 0.01 0.53 0.53 0.21 -0.10 0.00 0.00 175.22 176.40 1tru s LYS 81 N -3.61 0.53 0.00 0.44 2.20 -0.74 -2.24 119.74 116.32 1tru s LYS 81 Ca 0.32 0.94 0.00 0.00 -0.36 0.00 0.00 55.97 56.87 1tru s LYS 81 Cb -0.08 0.07 0.00 0.00 -1.51 0.00 0.00 37.83 36.31 1tru s LYS 81 CO 0.24 -0.15 0.00 1.63 -0.36 0.00 0.00 175.35 176.71 1tru n LYS 82 N 4.11 -1.11 0.00 4.03 5.02 -1.25 0.13 118.16 129.10 1tru n LYS 82 Ca -0.21 0.20 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 1tru n LYS 82 Cb 0.57 -3.92 0.00 0.00 -0.02 0.00 0.00 35.03 31.65 1tru n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1tru n GLY 83 N -0.11 1.09 3.01 0.72 0.00 -1.26 -4.95 105.19 103.68 1tru n GLY 83 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 1tru n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1tru s GLN 84 N -0.15 1.69 -0.32 1.61 -0.21 0.12 -5.08 119.66 117.32 1tru s GLN 84 Ca 0.00 -0.40 -0.28 0.00 0.02 0.00 0.00 55.36 54.70 1tru s GLN 84 Cb 0.00 -1.44 -0.02 0.00 1.00 0.00 0.00 33.01 32.55 1tru s GLN 84 CO 0.00 -0.01 1.84 0.21 -2.12 0.00 0.00 175.29 175.21 1tru s LYS 85 N 0.80 3.30 -0.16 2.91 2.20 -1.26 -1.78 119.74 125.74 1tru s LYS 85 Ca -0.12 1.48 0.16 0.00 -0.36 0.00 0.00 55.97 57.13 1tru s LYS 85 Cb -0.15 -4.22 0.52 0.00 -1.51 0.00 0.00 37.83 32.46 1tru s LYS 85 CO 0.02 -1.90 1.41 1.33 -0.36 0.00 0.00 175.35 175.86 1tru n VAL 86 N 7.45 2.17 0.00 4.02 0.24 -0.77 -4.99 118.33 126.45 1tru n VAL 86 Ca 0.24 -1.78 0.00 0.00 -2.04 0.00 0.00 64.34 60.76 1tru n VAL 86 Cb 0.47 -0.18 0.00 0.00 -1.47 0.00 0.00 33.84 32.66 1tru n VAL 86 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1tru n GLY 87 N -0.37 2.91 3.58 7.63 0.00 -1.17 -4.99 105.19 112.78 1tru n GLY 87 Ca 0.21 -0.54 -0.08 0.00 0.00 0.00 0.00 46.02 45.60 1tru n GLY 87 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1tru s GLU 88 N -2.00 0.49 -0.28 1.61 -1.05 -1.26 -0.31 118.70 115.89 1tru s GLU 88 Ca 0.00 0.05 -0.20 0.00 -0.15 0.00 0.00 54.97 54.67 1tru s GLU 88 Cb 0.00 0.23 0.12 0.00 -0.44 0.00 0.00 34.13 34.04 1tru s GLU 88 CO 0.00 -0.17 0.93 -0.59 0.95 0.00 0.00 175.26 176.38 1tru s PHE 89 N -1.42 -0.63 -0.11 4.83 -0.12 -0.86 -4.98 117.98 114.70 1tru s PHE 89 Ca 0.02 1.38 -0.02 0.00 -0.05 0.00 0.00 56.93 58.26 1tru s PHE 89 Cb -0.01 0.39 -0.03 0.00 -0.63 0.00 0.00 43.02 42.74 1tru s PHE 89 CO -0.02 -0.31 -0.01 -1.54 -0.05 0.00 0.00 175.22 173.29 1tru s SER 90 N 0.87 5.10 0.00 1.98 1.04 -1.26 -2.77 113.70 118.65 1tru s SER 90 Ca -0.04 0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.45 1tru s SER 90 Cb -0.05 -1.54 0.00 0.00 0.10 0.00 0.00 66.02 64.53 1tru s SER 90 CO -0.11 0.32 0.00 0.61 0.98 0.00 0.00 173.24 175.04 1tru n GLY 91 N 2.56 4.05 2.12 7.32 0.00 -1.22 -4.96 105.19 115.06 1tru n GLY 91 Ca -0.18 -0.76 -0.22 0.00 0.00 0.00 0.00 46.02 44.86 1tru n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tru n ALA 92 N -1.38 6.82 -3.47 4.61 0.00 -1.26 -4.73 120.51 121.10 1tru n ALA 92 Ca 0.00 -2.47 -0.41 0.00 0.00 0.00 0.00 53.44 50.56 1tru n ALA 92 Cb 0.00 -2.70 -0.03 0.00 0.00 0.00 0.00 19.45 16.72 1tru n ALA 92 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1tru n ASN 93 N 2.86 4.94 0.10 0.00 4.05 -1.26 -4.87 115.26 121.08 1tru n ASN 93 Ca 0.56 -3.09 0.10 0.00 0.45 0.00 0.00 54.58 52.60 1tru n ASN 93 Cb 0.66 -1.23 0.58 0.00 1.23 0.00 0.00 39.78 41.02 1tru n ASN 93 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 177.26 174.28 1tru h LYS 94 N 6.33 0.19 0.00 1.20 2.10 -1.99 0.36 116.57 124.74 1tru h LYS 94 Ca 0.17 -0.01 -0.05 0.00 -2.00 0.00 0.00 60.65 58.76 1tru h LYS 94 Cb 0.84 -0.04 -0.01 0.00 -0.90 0.00 0.00 32.23 32.12 1tru h LYS 94 CO 0.95 0.12 -0.25 0.93 -2.00 0.00 0.00 179.45 179.21 1tru h GLU 95 N 0.19 0.00 -0.46 0.07 4.39 -1.99 -2.84 114.58 113.93 1tru h GLU 95 Ca 0.13 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.71 1tru h GLU 95 Cb 0.26 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1tru h GLU 95 CO -0.02 0.25 -0.17 -0.22 -1.16 0.00 0.00 179.01 177.68 1tru h LYS 96 N 0.00 0.93 -1.02 2.33 3.64 -1.33 -2.75 116.57 118.38 1tru h LYS 96 Ca -0.00 -0.39 0.27 0.00 -1.27 0.00 0.00 60.65 59.26 1tru h LYS 96 Cb 0.59 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.31 1tru h LYS 96 CO 0.03 1.05 0.69 -0.07 -2.27 0.00 0.00 179.45 178.88 1tru h LEU 97 N 0.77 0.26 0.25 5.20 3.38 -1.48 0.20 115.31 123.91 1tru h LEU 97 Ca 0.11 0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 1tru h LEU 97 Cb 0.74 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.49 1tru h LEU 97 CO 0.06 0.07 -0.12 -0.08 0.09 0.00 0.00 178.44 178.45 1tru h GLU 98 N 0.24 -0.33 -0.60 1.13 4.81 -1.60 0.18 114.58 118.42 1tru h GLU 98 Ca 0.53 0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.91 1tru h GLU 98 Cb 1.64 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 31.06 1tru h GLU 98 CO -0.16 -0.22 0.41 0.00 -0.73 0.00 0.00 179.01 178.31 1tru h ALA 99 N -1.73 2.16 -0.00 2.92 0.00 -1.47 -1.30 119.26 119.83 1tru h ALA 99 Ca -0.03 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1tru h ALA 99 Cb 0.26 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1tru h ALA 99 CO 0.06 -0.31 -0.00 1.15 0.00 0.00 0.00 179.25 180.15 1tru h THR 100 N 0.30 1.44 -0.92 0.00 2.02 -0.57 -2.71 112.91 112.47 1tru h THR 100 Ca 0.28 -1.30 0.06 0.00 0.77 0.00 0.00 66.41 66.22 1tru h THR 100 Cb 0.71 2.33 -0.06 0.00 -1.74 0.00 0.00 68.15 69.39 1tru h THR 100 CO -0.07 0.34 0.60 0.40 0.37 0.00 0.00 175.52 177.16 1tru h ILE 101 N -0.55 1.09 0.00 3.11 2.04 0.02 0.48 117.51 123.69 1tru h ILE 101 Ca 0.00 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1tru h ILE 101 Cb 0.55 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1tru h ILE 101 CO 0.00 0.19 0.00 -3.20 0.00 0.00 0.00 178.15 175.14 1tru n ASN 102 N -4.48 0.00 -0.06 1.72 2.85 -0.55 -2.21 115.26 112.53 1tru n ASN 102 Ca 0.14 -0.57 -0.04 0.00 -0.11 0.00 0.00 54.58 54.00 1tru n ASN 102 Cb 0.18 -0.06 -0.04 0.00 1.24 0.00 0.00 39.78 41.10 1tru n ASN 102 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 1tru h GLU 103 N 0.00 0.00 -0.60 1.20 4.81 0.30 -3.35 114.58 116.94 1tru h GLU 103 Ca 0.00 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1tru h GLU 103 Cb 0.04 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.42 1tru h GLU 103 CO 0.00 0.29 0.00 1.28 -0.73 0.00 0.00 179.01 179.85 1tru n LEU 104 N -4.72 5.55 0.00 1.64 4.77 -1.21 -5.12 117.00 117.91 1tru n LEU 104 Ca -0.04 -2.82 0.05 0.00 -0.03 0.00 0.00 56.01 53.18 1tru n LEU 104 Cb 0.15 -0.68 0.30 0.00 -2.33 0.00 0.00 43.42 40.87 1tru n LEU 104 CO 0.10 0.61 0.52 0.55 -1.33 0.00 0.00 177.39 177.85