#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 -0.22 1.12 1.01 -1.26 -3.44 120.40 117.75 1tru s VAL 2 Ca 0.00 -1.44 -0.04 0.00 0.00 0.00 0.00 61.98 60.50 1tru s VAL 2 Cb 0.00 -1.58 0.11 0.00 0.00 0.00 0.00 36.38 34.91 1tru s VAL 2 CO 0.00 -0.61 0.38 -0.75 0.00 0.00 0.00 175.10 174.11 1tru s LYS 3 N -3.92 0.32 -0.11 2.72 2.20 -1.01 -4.99 119.74 114.95 1tru s LYS 3 Ca 0.10 0.72 -0.29 0.00 -0.36 0.00 0.00 55.97 56.15 1tru s LYS 3 Cb 0.05 -0.17 -0.01 0.00 -1.51 0.00 0.00 37.83 36.19 1tru s LYS 3 CO -0.07 -0.47 0.98 -1.14 -0.36 0.00 0.00 175.35 174.29 1tru s GLN 4 N 2.55 4.41 -0.43 4.03 0.74 -1.26 -2.78 119.66 126.92 1tru s GLN 4 Ca 0.06 1.34 -0.23 0.00 0.05 0.00 0.00 55.36 56.59 1tru s GLN 4 Cb -0.14 -3.54 0.02 0.00 1.10 0.00 0.00 33.01 30.45 1tru s GLN 4 CO -0.14 -0.31 0.77 0.42 -0.55 0.00 0.00 175.29 175.48 1tru s ILE 5 N 1.99 4.68 -0.43 -2.34 -1.09 -1.21 -4.88 121.20 117.93 1tru s ILE 5 Ca 0.47 0.47 0.23 0.00 -2.23 0.00 0.00 60.65 59.59 1tru s ILE 5 Cb -0.18 -4.29 0.03 0.00 -1.58 0.00 0.00 42.46 36.44 1tru s ILE 5 CO 0.17 -0.66 1.17 -0.33 -1.23 0.00 0.00 174.94 174.07 1tru h GLU 6 N 8.89 0.00 -2.97 2.79 5.08 -1.94 -3.43 114.58 123.00 1tru h GLU 6 Ca -0.25 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 1tru h GLU 6 Cb 1.09 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.21 1tru h GLU 6 CO 0.94 0.00 0.20 -1.54 -1.00 0.00 0.00 179.01 177.61 1tru s SER 7 N -4.86 -0.56 0.59 1.42 1.04 -1.26 -4.48 113.70 105.60 1tru s SER 7 Ca 0.03 0.02 0.29 0.00 0.48 0.00 0.00 55.95 56.76 1tru s SER 7 Cb 0.11 0.59 1.51 0.00 0.10 0.00 0.00 66.02 68.34 1tru s SER 7 CO 0.76 -0.95 1.93 0.50 0.98 0.00 0.00 173.24 176.46 1tru h LYS 8 N 2.06 0.00 0.45 4.02 3.64 -1.92 -1.28 116.57 123.54 1tru h LYS 8 Ca -0.34 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.03 1tru h LYS 8 Cb 1.30 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1tru h LYS 8 CO 0.38 0.00 -0.27 1.15 -2.27 0.00 0.00 179.45 178.44 1tru h THR 9 N 0.00 0.44 0.00 1.00 2.02 -2.00 -1.63 112.91 112.74 1tru h THR 9 Ca 0.18 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.34 1tru h THR 9 Cb 1.02 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 67.88 1tru h THR 9 CO -0.00 0.00 -0.07 0.00 0.37 0.00 0.00 175.52 175.81 1tru h ALA 10 N -0.17 1.28 0.19 6.16 0.00 -1.65 -2.83 119.26 122.24 1tru h ALA 10 Ca -0.05 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1tru h ALA 10 Cb 0.56 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1tru h ALA 10 CO 0.06 0.09 -0.09 0.35 0.00 0.00 0.00 179.25 179.66 1tru h PHE 11 N 0.00 -0.24 0.63 0.00 3.57 -1.00 0.51 116.94 120.41 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 0.24 0.08 0.01 0.00 2.79 0.00 0.00 35.95 39.07 1tru h PHE 11 CO 0.00 -0.12 -0.30 1.96 -2.23 0.00 0.00 178.31 177.62 1tru h GLN 12 N -0.29 -0.82 -0.08 1.11 4.20 -1.25 -2.14 115.11 115.85 1tru h GLN 12 Ca -0.03 0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.76 1tru h GLN 12 Cb 0.22 0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 1tru h GLN 12 CO 0.04 -0.50 0.08 0.93 -0.67 0.00 0.00 178.83 178.71 1tru h GLU 13 N -1.01 0.00 -0.35 1.46 4.39 -1.53 -1.28 114.58 116.26 1tru h GLU 13 Ca -0.09 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.45 1tru h GLU 13 Cb 0.69 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1tru h GLU 13 CO 0.14 0.00 -0.41 0.00 -1.16 0.00 0.00 179.01 177.58 1tru h ALA 14 N 1.91 0.52 -0.33 3.43 0.00 0.41 -0.95 119.26 124.26 1tru h ALA 14 Ca 0.04 -0.46 -0.13 0.00 0.00 0.00 0.00 54.91 54.36 1tru h ALA 14 Cb 0.20 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1tru h ALA 14 CO -0.00 0.65 -0.29 -0.07 0.00 0.00 0.00 179.25 179.53 1tru h LEU 15 N 0.70 0.82 -1.15 0.00 3.38 -0.60 -2.48 115.31 115.98 1tru h LEU 15 Ca 0.05 -0.46 -0.09 0.00 0.09 0.00 0.00 57.88 57.47 1tru h LEU 15 Cb 1.01 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1tru h LEU 15 CO 0.10 1.11 -0.39 -0.78 0.09 0.00 0.00 178.44 178.56 1tru h ASP 16 N 0.54 0.06 0.25 -0.43 1.82 -1.40 -2.65 116.42 114.61 1tru h ASP 16 Ca 0.06 -0.02 -0.12 0.00 -0.39 0.00 0.00 57.03 56.55 1tru h ASP 16 Cb 0.86 -0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.85 1tru h ASP 16 CO 0.07 0.45 -0.48 0.00 -1.61 0.00 0.00 179.24 177.67 1tru h ALA 17 N 1.55 0.98 -0.49 -0.78 0.00 -0.98 -2.88 119.26 116.66 1tru h ALA 17 Ca 0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 1tru h ALA 17 Cb 0.72 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1tru h ALA 17 CO 0.05 0.65 0.18 0.00 0.00 0.00 0.00 179.25 180.13 1tru h ALA 18 N 1.27 1.40 0.00 0.00 0.00 -1.07 -3.47 119.26 117.39 1tru h ALA 18 Ca 0.01 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1tru h ALA 18 Cb 0.93 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.52 1tru h ALA 18 CO 0.08 0.45 0.00 0.41 0.00 0.00 0.00 179.25 180.19 1tru n GLY 19 N -1.08 1.98 0.48 0.00 0.00 -1.09 -3.11 105.19 102.38 1tru n GLY 19 Ca 0.04 -0.44 0.04 0.00 0.00 0.00 0.00 46.02 45.66 1tru n GLY 19 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1tru n ASP 20 N 8.80 2.60 -4.83 1.61 2.03 -1.26 -3.72 116.55 121.79 1tru n ASP 20 Ca 0.00 -1.93 -0.31 0.00 0.52 0.00 0.00 54.79 53.08 1tru n ASP 20 Cb 0.00 -0.16 0.04 0.00 -0.72 0.00 0.00 41.12 40.28 1tru n ASP 20 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1tru s LYS 21 N -0.97 3.03 0.87 -0.67 1.02 -1.18 -4.84 119.74 117.01 1tru s LYS 21 Ca 0.17 0.89 -0.10 0.00 0.02 0.00 0.00 55.97 56.95 1tru s LYS 21 Cb 0.09 -2.01 0.12 0.00 -0.52 0.00 0.00 37.83 35.51 1tru s LYS 21 CO 0.12 -1.01 1.13 -1.17 -0.92 0.00 0.00 175.35 173.49 1tru s LEU 22 N -5.48 2.88 -0.33 3.17 0.20 -1.26 -4.58 118.68 113.28 1tru s LEU 22 Ca 0.58 2.06 0.01 0.00 0.69 0.00 0.00 54.13 57.47 1tru s LEU 22 Cb -0.13 -4.54 0.15 0.00 -0.43 0.00 0.00 46.19 41.24 1tru s LEU 22 CO 0.55 -2.77 0.34 -0.69 -0.29 0.00 0.00 176.35 173.49 1tru s VAL 23 N -2.74 -0.37 -0.28 1.68 1.01 -0.92 -3.21 120.40 115.57 1tru s VAL 23 Ca 0.65 -0.75 -0.12 0.00 0.00 0.00 0.00 61.98 61.76 1tru s VAL 23 Cb -0.21 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 1tru s VAL 23 CO 0.57 -0.52 0.24 -0.69 0.00 0.00 0.00 175.10 174.70 1tru s VAL 24 N 1.88 5.27 -0.08 2.92 1.01 -1.01 -0.18 120.40 130.22 1tru s VAL 24 Ca 0.13 0.24 -0.10 0.00 0.00 0.00 0.00 61.98 62.25 1tru s VAL 24 Cb -0.15 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 1tru s VAL 24 CO -0.17 0.21 0.25 -0.69 0.00 0.00 0.00 175.10 174.69 1tru s VAL 25 N 1.83 5.32 -0.29 2.92 1.01 0.67 -2.62 120.40 129.24 1tru s VAL 25 Ca 0.09 0.46 -0.04 0.00 0.00 0.00 0.00 61.98 62.49 1tru s VAL 25 Cb -0.16 -3.53 0.03 0.00 0.00 0.00 0.00 36.38 32.72 1tru s VAL 25 CO 0.11 0.58 0.02 -0.62 0.00 0.00 0.00 175.10 175.19 1tru s ASP 26 N -0.91 4.87 -0.51 3.32 2.15 -0.81 -1.27 116.67 123.52 1tru s ASP 26 Ca 0.18 -1.03 -0.16 0.00 0.43 0.00 0.00 52.55 51.96 1tru s ASP 26 Cb -0.14 -1.76 0.09 0.00 -0.30 0.00 0.00 42.92 40.81 1tru s ASP 26 CO 0.07 -0.23 0.47 -0.36 -0.17 0.00 0.00 175.17 174.95 1tru s PHE 27 N 1.35 3.22 0.21 -5.34 0.08 -0.12 -2.99 117.98 114.39 1tru s PHE 27 Ca -0.02 -1.02 -0.05 0.00 0.12 0.00 0.00 56.93 55.97 1tru s PHE 27 Cb -0.18 -3.46 -0.03 0.00 -0.57 0.00 0.00 43.02 38.77 1tru s PHE 27 CO -0.00 -0.92 0.23 -1.54 -0.10 0.00 0.00 175.22 172.88 1tru s SER 28 N 3.01 0.09 -0.59 1.36 1.04 -1.23 -1.53 113.70 115.84 1tru s SER 28 Ca 0.05 -1.24 -0.18 0.00 0.48 0.00 0.00 55.95 55.06 1tru s SER 28 Cb -0.26 0.44 0.11 0.00 0.10 0.00 0.00 66.02 66.41 1tru s SER 28 CO 0.06 -0.92 0.67 0.00 0.98 0.00 0.00 173.24 174.03 1tru s ALA 29 N -4.11 3.48 0.55 5.32 0.00 -1.26 -3.14 121.76 122.59 1tru s ALA 29 Ca 0.33 -2.32 0.25 0.00 0.00 0.00 0.00 51.96 50.22 1tru s ALA 29 Cb 0.05 -3.48 1.44 0.00 0.00 0.00 0.00 23.12 21.13 1tru s ALA 29 CO 0.10 -2.29 2.02 0.00 0.00 0.00 0.00 175.76 175.59 1tru h THR 30 N 5.90 0.67 -0.04 0.00 1.03 -1.95 0.82 112.91 119.34 1tru h THR 30 Ca -0.28 0.00 -0.22 0.00 -0.01 0.00 0.00 66.41 65.89 1tru h THR 30 Cb 1.09 0.77 0.00 0.00 -1.07 0.00 0.00 68.15 68.94 1tru h THR 30 CO 1.08 0.00 -0.89 4.11 -0.01 0.00 0.00 175.52 179.81 1tru h TRP 31 N 0.00 0.72 -3.28 0.00 5.08 -2.02 -3.45 115.95 113.00 1tru h TRP 31 Ca 0.20 -0.37 -0.46 0.00 1.08 0.00 0.00 58.89 59.33 1tru h TRP 31 Cb 0.85 -0.09 0.22 0.00 -3.00 0.00 0.00 29.16 27.13 1tru h TRP 31 CO 0.00 1.18 -0.19 0.00 -1.28 0.00 0.00 178.44 178.15 1tru n GLY 33 N 1.08 -0.39 0.35 0.00 0.00 -1.26 -3.88 105.19 101.10 1tru n GLY 33 Ca 0.05 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.23 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 0.02 1.61 0.11 -1.95 -0.31 132.00 131.47 1tru h PRO 34 Ca 0.00 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.06 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 -0.27 0.00 -0.21 0.00 0.00 178.00 177.52 1tru n LYS 36 N -4.53 0.06 0.09 0.00 4.81 -0.28 -2.08 118.16 116.23 1tru n LYS 36 Ca -0.13 0.39 0.10 0.00 -0.87 0.00 0.00 58.31 57.79 1tru n LYS 36 Cb 0.55 -1.63 0.42 0.00 0.02 0.00 0.00 35.03 34.39 1tru n LYS 36 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 1tru n MET 37 N -1.74 0.13 -0.76 1.64 1.56 -0.32 -2.07 117.12 115.55 1tru n MET 37 Ca 0.02 0.41 0.06 0.00 -0.27 0.00 0.00 57.70 57.92 1tru n MET 37 Cb 0.13 -1.76 0.35 0.00 2.15 0.00 0.00 33.22 34.08 1tru n MET 37 CO 0.00 0.00 0.00 -0.89 -0.73 0.00 0.00 175.97 174.35 1tru n ILE 38 N -2.00 2.31 0.06 1.12 5.41 -0.88 -4.32 119.36 121.05 1tru n ILE 38 Ca 0.02 -1.19 -0.01 0.00 1.00 0.00 0.00 62.75 62.57 1tru n ILE 38 Cb 0.18 -0.27 -0.07 0.00 -0.71 0.00 0.00 39.64 38.77 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 3.47 0.00 0.00 0.38 2.10 -1.64 -3.19 116.57 117.68 1tru h LYS 39 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1tru h LYS 39 Cb 1.74 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.07 1tru h LYS 39 CO 0.41 0.45 0.00 -0.35 -2.00 0.00 0.00 179.45 177.96 1tru n PRO 40 N -3.05 0.63 0.00 0.07 -0.05 -1.26 -2.54 135.00 128.80 1tru n PRO 40 Ca -0.06 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.39 1tru n PRO 40 Cb 0.85 -1.22 0.00 0.00 -0.05 0.00 0.00 33.50 33.08 1tru n PRO 40 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 175.50 176.64 1tru n PHE 41 N -0.72 0.00 0.33 0.54 3.72 -1.23 -4.36 117.46 115.73 1tru n PHE 41 Ca 0.07 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.34 1tru n PHE 41 Cb 0.03 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 38.51 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 -0.79 0.00 1.38 3.57 -1.66 -2.16 116.94 117.29 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 0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.00 1tru h PHE 42 CO 0.00 -0.49 0.00 1.58 -2.23 0.00 0.00 178.31 177.17 1tru n HIS 43 N -4.31 0.00 0.08 0.41 -0.00 -1.05 -1.85 115.22 108.50 1tru n HIS 43 Ca -0.11 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.07 1tru n HIS 43 Cb 0.33 -0.33 -0.04 0.00 -0.12 0.00 0.00 29.99 29.83 1tru n HIS 43 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1tru h SER 44 N 0.00 0.00 0.02 0.26 0.87 -1.26 -3.25 113.55 110.19 1tru h SER 44 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1tru h SER 44 Cb 0.09 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1tru h SER 44 CO 0.00 0.60 0.00 0.18 -0.53 0.00 0.00 176.83 177.08 1tru n LEU 45 N -3.08 0.02 -0.15 2.23 4.77 -0.77 -1.85 117.00 118.16 1tru n LEU 45 Ca -0.04 0.51 0.06 0.00 -0.03 0.00 0.00 56.01 56.52 1tru n LEU 45 Cb 0.81 -0.51 0.37 0.00 -2.33 0.00 0.00 43.42 41.76 1tru n LEU 45 CO 0.42 -0.51 1.21 0.28 -1.33 0.00 0.00 177.39 177.46 1tru h SER 46 N 0.00 0.62 0.89 -1.43 0.02 -1.75 0.52 113.55 112.42 1tru h SER 46 Ca 0.00 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.83 1tru h SER 46 Cb 0.01 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 1tru h SER 46 CO 0.00 0.41 -1.18 -0.33 -1.14 0.00 0.00 176.83 174.59 1tru h GLU 47 N 0.71 0.00 0.00 3.45 4.39 -1.65 -3.34 114.58 118.14 1tru h GLU 47 Ca 0.29 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.96 1tru h GLU 47 Cb 0.24 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.88 1tru h GLU 47 CO -0.09 0.24 -0.32 -0.22 -1.16 0.00 0.00 179.01 177.46 1tru h LYS 48 N 0.00 0.00 -3.47 2.33 1.63 -1.36 -3.41 116.57 112.28 1tru h LYS 48 Ca -0.10 0.00 -0.72 0.00 -0.85 0.00 0.00 60.65 58.98 1tru h LYS 48 Cb 1.41 0.00 -0.34 0.00 -0.60 0.00 0.00 32.23 32.70 1tru h LYS 48 CO 0.04 0.31 -0.11 0.71 -3.45 0.00 0.00 179.45 176.94 1tru s TYR 49 N -1.98 3.76 -1.35 1.91 2.02 0.17 -4.88 117.35 117.01 1tru s TYR 49 Ca -0.11 -2.79 0.16 0.00 -0.37 0.00 0.00 57.07 53.95 1tru s TYR 49 Cb 0.01 -3.35 0.78 0.00 -0.40 0.00 0.00 41.96 39.00 1tru s TYR 49 CO 0.26 -0.81 1.46 -1.13 -1.57 0.00 0.00 175.55 173.76 1tru n SER 50 N 2.89 0.00 -2.16 2.29 3.41 -1.25 -2.70 113.62 116.11 1tru n SER 50 Ca 0.17 0.14 -0.24 0.00 -0.26 0.00 0.00 58.87 58.68 1tru n SER 50 Cb 0.39 -0.32 0.15 0.00 -0.26 0.00 0.00 64.21 64.16 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 -1.32 4.49 -4.04 4.04 5.15 -1.26 -4.42 115.26 117.89 1tru n ASN 51 Ca 0.07 -3.52 -0.18 0.00 -0.60 0.00 0.00 54.58 50.35 1tru n ASN 51 Cb 0.14 -0.85 -0.14 0.00 -0.53 0.00 0.00 39.78 38.40 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 -3.32 0.74 -0.33 3.44 1.01 -1.10 -4.74 120.40 116.10 1tru s VAL 52 Ca 0.54 -0.56 -0.13 0.00 0.00 0.00 0.00 61.98 61.83 1tru s VAL 52 Cb 0.45 -0.65 -0.02 0.00 0.00 0.00 0.00 36.38 36.16 1tru s VAL 52 CO 0.08 0.09 0.28 -0.63 0.00 0.00 0.00 175.10 174.92 1tru s ILE 53 N -0.45 5.25 -0.16 2.22 -1.09 -1.20 -4.12 121.20 121.66 1tru s ILE 53 Ca 0.01 -0.06 -0.03 0.00 -2.23 0.00 0.00 60.65 58.34 1tru s ILE 53 Cb -0.05 -3.72 -0.02 0.00 -1.58 0.00 0.00 42.46 37.08 1tru s ILE 53 CO 0.00 0.00 -0.06 -0.36 -1.23 0.00 0.00 174.94 173.29 1tru s PHE 54 N 1.83 2.96 -0.12 3.97 0.08 -1.22 -2.40 117.98 123.08 1tru s PHE 54 Ca 0.08 -0.46 -0.03 0.00 0.12 0.00 0.00 56.93 56.65 1tru s PHE 54 Cb -0.17 -1.95 -0.03 0.00 -0.57 0.00 0.00 43.02 40.30 1tru s PHE 54 CO 0.11 -0.14 -0.01 -0.51 -0.10 0.00 0.00 175.22 174.56 1tru s LEU 55 N 0.50 3.43 -0.38 -0.37 1.02 -1.08 -2.41 118.68 119.40 1tru s LEU 55 Ca -0.05 0.01 -0.03 0.00 0.02 0.00 0.00 54.13 54.08 1tru s LEU 55 Cb -0.15 -1.81 0.09 0.00 0.02 0.00 0.00 46.19 44.35 1tru s LEU 55 CO 0.03 0.27 0.16 -0.70 0.02 0.00 0.00 176.35 176.13 1tru s GLU 56 N -0.23 2.15 -0.16 1.70 2.12 -1.12 -1.92 118.70 121.24 1tru s GLU 56 Ca 0.05 -1.65 -0.06 0.00 0.36 0.00 0.00 54.97 53.67 1tru s GLU 56 Cb -0.13 -3.50 -0.04 0.00 0.26 0.00 0.00 34.13 30.73 1tru s GLU 56 CO 0.02 -0.95 0.04 0.08 -0.54 0.00 0.00 175.26 173.91 1tru s VAL 57 N 1.19 4.61 -0.33 3.70 1.01 -1.16 -3.32 120.40 126.10 1tru s VAL 57 Ca 0.05 -0.11 -0.15 0.00 0.00 0.00 0.00 61.98 61.77 1tru s VAL 57 Cb -0.22 -3.04 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 1tru s VAL 57 CO -0.03 0.50 0.35 -0.62 0.00 0.00 0.00 175.10 175.30 1tru s ASP 58 N 0.09 6.18 0.00 3.32 2.15 -1.26 -3.53 116.67 123.61 1tru s ASP 58 Ca 0.04 -0.16 0.01 0.00 0.43 0.00 0.00 52.55 52.87 1tru s ASP 58 Cb -0.12 -2.19 0.07 0.00 -0.30 0.00 0.00 42.92 40.38 1tru s ASP 58 CO 0.01 -0.30 0.31 1.33 -0.17 0.00 0.00 175.17 176.35 1tru n VAL 59 N 5.21 0.00 -0.04 1.11 0.24 -1.19 -1.18 118.33 122.49 1tru n VAL 59 Ca -0.09 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.15 1tru n VAL 59 Cb 0.50 -0.53 -0.04 0.00 -1.47 0.00 0.00 33.84 32.29 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 3.35 -0.01 -1.34 9.92 -1.26 -4.41 116.55 122.18 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 -0.01 -0.13 0.00 -0.64 0.00 0.00 41.12 40.34 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 0.33 -2.07 -2.24 3.58 -1.81 -3.38 116.42 110.83 1tru h ASP 61 Ca -0.19 -0.82 -0.75 0.00 0.42 0.00 0.00 57.03 55.69 1tru h ASP 61 Cb 1.31 -0.11 -0.30 0.00 1.72 0.00 0.00 39.33 41.96 1tru h ASP 61 CO -0.02 1.66 0.75 0.00 -2.88 0.00 0.00 179.24 178.75 1tru n ALA 62 N -3.05 6.08 0.15 -0.78 0.00 -0.33 -4.74 120.51 117.85 1tru n ALA 62 Ca -0.28 -4.36 0.10 0.00 0.00 0.00 0.00 53.44 48.90 1tru n ALA 62 Cb 0.90 -1.83 0.54 0.00 0.00 0.00 0.00 19.45 19.07 1tru n ALA 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1tru n GLN 63 N -0.34 0.13 -0.05 0.00 6.02 -1.26 -1.32 117.38 120.56 1tru n GLN 63 Ca 0.48 0.62 -0.16 0.00 -0.01 0.00 0.00 57.00 57.94 1tru n GLN 63 Cb 0.30 -1.95 -0.06 0.00 1.02 0.00 0.00 30.24 29.55 1tru n GLN 63 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 1tru h ASP 64 N 0.00 0.93 0.24 1.08 2.03 -1.94 -1.17 116.42 117.59 1tru h ASP 64 Ca 0.00 -0.58 -0.21 0.00 -0.73 0.00 0.00 57.03 55.51 1tru h ASP 64 Cb 0.05 -0.27 0.00 0.00 -0.83 0.00 0.00 39.33 38.28 1tru h ASP 64 CO 0.00 1.35 -0.85 0.58 -1.03 0.00 0.00 179.24 179.28 1tru h VAL 65 N 0.56 1.37 -0.15 4.15 2.07 -1.59 -2.64 116.25 120.03 1tru h VAL 65 Ca -0.02 -2.27 -0.08 0.00 0.82 0.00 0.00 66.70 65.15 1tru h VAL 65 Cb 1.25 2.26 -0.01 0.00 -1.52 0.00 0.00 31.29 33.26 1tru h VAL 65 CO 0.14 0.69 -0.26 0.00 0.02 0.00 0.00 177.57 178.15 1tru h ALA 66 N 0.78 1.28 0.27 1.67 0.00 -1.44 0.15 119.26 121.96 1tru h ALA 66 Ca -0.06 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 1tru h ALA 66 Cb 1.46 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.16 1tru h ALA 66 CO 0.15 0.49 -0.13 0.77 0.00 0.00 0.00 179.25 180.53 1tru h SER 67 N 0.25 -0.30 -0.07 0.00 0.02 -1.11 -2.76 113.55 109.57 1tru h SER 67 Ca 0.04 -0.23 -0.03 0.00 -0.84 0.00 0.00 61.79 60.73 1tru h SER 67 Cb 0.60 0.08 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 1tru h SER 67 CO 0.04 0.16 -0.02 -0.08 -1.14 0.00 0.00 176.83 175.80 1tru h GLU 68 N -0.88 0.25 0.00 3.45 4.22 -1.44 0.73 114.58 120.92 1tru h GLU 68 Ca -0.04 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.37 1tru h GLU 68 Cb 0.51 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.72 1tru h GLU 68 CO 0.06 0.29 0.00 0.00 -2.18 0.00 0.00 179.01 177.18 1tru n ALA 69 N -2.50 1.97 -2.22 2.92 0.00 0.04 -4.83 120.51 115.89 1tru n ALA 69 Ca -0.00 -0.08 -0.12 0.00 0.00 0.00 0.00 53.44 53.23 1tru n ALA 69 Cb 0.19 -1.30 -0.02 0.00 0.00 0.00 0.00 19.45 18.32 1tru n ALA 69 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1tru n GLU 70 N -1.33 -2.04 -2.79 0.00 4.07 0.25 -4.87 120.64 113.94 1tru n GLU 70 Ca 0.08 0.62 -0.43 0.00 -0.06 0.00 0.00 57.16 57.37 1tru n GLU 70 Cb 0.16 -5.14 -0.04 0.00 -0.06 0.00 0.00 31.44 26.37 1tru n GLU 70 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1tru s VAL 71 N -2.49 4.37 -0.19 6.31 1.01 -1.13 -4.85 120.40 123.44 1tru s VAL 71 Ca 0.00 0.60 0.15 0.00 0.00 0.00 0.00 61.98 62.73 1tru s VAL 71 Cb 0.00 -4.52 0.41 0.00 0.00 0.00 0.00 36.38 32.27 1tru s VAL 71 CO 0.00 -1.02 1.29 0.29 0.00 0.00 0.00 175.10 175.66 1tru n LYS 72 N 7.48 1.85 -3.31 2.72 5.02 -1.26 -4.88 118.16 125.77 1tru n LYS 72 Ca 0.05 -2.89 -0.10 0.00 -2.02 0.00 0.00 58.31 53.35 1tru n LYS 72 Cb 0.48 -1.67 -0.06 0.00 -0.02 0.00 0.00 35.03 33.76 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 -3.00 -1.12 0.20 7.82 0.00 -1.26 -5.15 121.76 119.26 1tru s ALA 73 Ca 0.38 0.01 -0.01 0.00 0.00 0.00 0.00 51.96 52.35 1tru s ALA 73 Cb 0.33 -2.10 -0.04 0.00 0.00 0.00 0.00 23.12 21.31 1tru s ALA 73 CO 0.02 -1.83 0.39 0.95 0.00 0.00 0.00 175.76 175.29 1tru s THR 74 N 2.34 5.20 0.48 0.00 -4.23 -1.26 -4.07 115.64 114.10 1tru s THR 74 Ca 0.11 -0.36 -0.19 0.00 -1.18 0.00 0.00 61.69 60.06 1tru s THR 74 Cb -0.12 -3.73 -0.09 0.00 1.34 0.00 0.00 72.50 69.89 1tru s THR 74 CO -0.26 -0.18 0.99 -2.16 -0.54 0.00 0.00 174.62 172.48 1tru s PRO 75 N -3.33 3.96 -0.04 3.99 0.04 -1.26 -5.02 135.00 133.34 1tru s PRO 75 Ca 0.38 1.17 -0.02 0.00 0.04 0.00 0.00 61.00 62.58 1tru s PRO 75 Cb -0.11 -2.13 0.03 0.00 0.04 0.00 0.00 34.50 32.33 1tru s PRO 75 CO 0.29 -0.27 0.05 0.99 0.04 0.00 0.00 177.00 178.10 1tru s THR 76 N -2.23 -0.08 -0.21 1.26 2.01 -0.59 -3.52 115.64 112.29 1tru s THR 76 Ca 0.63 0.40 -0.08 0.00 0.31 0.00 0.00 61.69 62.94 1tru s THR 76 Cb -0.12 -0.16 -0.04 0.00 0.01 0.00 0.00 72.50 72.19 1tru s THR 76 CO 0.21 0.18 0.09 -0.36 -0.69 0.00 0.00 174.62 174.05 1tru s PHE 77 N 2.06 3.25 0.04 4.92 0.08 -1.07 -0.94 117.98 126.32 1tru s PHE 77 Ca 0.04 0.06 0.08 0.00 0.12 0.00 0.00 56.93 57.22 1tru s PHE 77 Cb -0.12 -2.16 -0.03 0.00 -0.57 0.00 0.00 43.02 40.14 1tru s PHE 77 CO -0.03 0.07 -0.21 -0.65 -0.10 0.00 0.00 175.22 174.30 1tru s GLN 78 N 0.73 2.01 -0.20 0.44 -0.21 -0.40 -1.72 119.66 120.31 1tru s GLN 78 Ca 0.05 -1.00 -0.05 0.00 0.02 0.00 0.00 55.36 54.37 1tru s GLN 78 Cb -0.13 -2.13 -0.03 0.00 1.00 0.00 0.00 33.01 31.72 1tru s GLN 78 CO 0.02 0.54 0.01 -0.06 -2.12 0.00 0.00 175.29 173.68 1tru s PHE 79 N -0.87 3.06 0.21 0.91 0.40 0.10 -0.24 117.98 121.56 1tru s PHE 79 Ca 0.13 -0.38 0.08 0.00 -0.60 0.00 0.00 56.93 56.17 1tru s PHE 79 Cb -0.10 -2.09 -0.05 0.00 0.51 0.00 0.00 43.02 41.29 1tru s PHE 79 CO 0.04 -0.19 -0.16 -0.06 0.70 0.00 0.00 175.22 175.55 1tru s PHE 80 N 0.94 1.81 -0.21 0.36 0.08 0.74 -1.51 117.98 120.19 1tru s PHE 80 Ca 0.02 -0.52 -0.16 0.00 0.12 0.00 0.00 56.93 56.39 1tru s PHE 80 Cb -0.14 -0.84 0.06 0.00 -0.57 0.00 0.00 43.02 41.53 1tru s PHE 80 CO 0.02 0.40 0.55 0.21 -0.10 0.00 0.00 175.22 176.29 1tru s LYS 81 N -3.44 0.59 -0.43 0.44 2.20 -0.18 -2.17 119.74 116.76 1tru s LYS 81 Ca 0.22 0.88 0.00 0.00 -0.36 0.00 0.00 55.97 56.71 1tru s LYS 81 Cb -0.02 0.18 0.00 0.00 -1.51 0.00 0.00 37.83 36.48 1tru s LYS 81 CO 0.08 -0.12 0.00 1.63 -0.36 0.00 0.00 175.35 176.58 1tru n LYS 82 N 3.52 -1.77 -0.89 4.03 5.02 -1.24 0.79 118.16 127.61 1tru n LYS 82 Ca -0.18 0.45 0.00 0.00 -2.02 0.00 0.00 58.31 56.56 1tru n LYS 82 Cb 0.57 -4.33 0.00 0.00 -0.02 0.00 0.00 35.03 31.24 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 0.34 1.05 2.96 0.72 0.00 -1.26 -4.94 105.19 104.06 1tru n GLY 83 Ca -0.04 -0.48 -0.21 0.00 0.00 0.00 0.00 46.02 45.29 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 -2.15 1.03 0.01 1.61 -0.21 0.24 -5.10 119.66 115.08 1tru s GLN 84 Ca 0.00 -0.24 -0.30 0.00 0.02 0.00 0.00 55.36 54.84 1tru s GLN 84 Cb 0.00 -0.95 -0.07 0.00 1.00 0.00 0.00 33.01 32.99 1tru s GLN 84 CO 0.00 0.02 1.60 0.21 -2.12 0.00 0.00 175.29 175.00 1tru s LYS 85 N 0.57 4.21 -0.05 2.91 2.20 -1.26 -1.01 119.74 127.32 1tru s LYS 85 Ca -0.09 2.21 0.11 0.00 -0.36 0.00 0.00 55.97 57.83 1tru s LYS 85 Cb -0.12 -3.73 -0.16 0.00 -1.51 0.00 0.00 37.83 32.31 1tru s LYS 85 CO 0.01 -0.74 0.17 1.33 -0.36 0.00 0.00 175.35 175.76 1tru n VAL 86 N 4.98 0.26 -3.65 4.02 0.24 -0.57 -4.94 118.33 118.67 1tru n VAL 86 Ca 0.16 -0.32 0.00 0.00 -2.04 0.00 0.00 64.34 62.14 1tru n VAL 86 Cb 0.42 -0.11 -0.01 0.00 -1.47 0.00 0.00 33.84 32.67 1tru n VAL 86 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1tru s GLY 87 N -3.65 -0.37 -0.12 7.63 0.00 -1.17 -5.02 107.32 104.61 1tru s GLY 87 Ca -0.04 0.61 -0.32 0.00 0.00 0.00 0.00 44.72 44.97 1tru s GLY 87 CO 0.45 0.11 1.06 -1.83 0.00 0.00 0.00 173.10 172.90 1tru s GLU 88 N -2.61 0.53 -0.28 2.90 -1.05 -1.26 0.03 118.70 116.96 1tru s GLU 88 Ca 0.13 -0.13 -0.22 0.00 -0.15 0.00 0.00 54.97 54.60 1tru s GLU 88 Cb 0.03 0.25 0.12 0.00 -0.44 0.00 0.00 34.13 34.09 1tru s GLU 88 CO -0.03 -0.22 0.94 -0.59 0.95 0.00 0.00 175.26 176.32 1tru s PHE 89 N -2.37 -0.60 -0.13 4.83 -0.12 -0.70 -4.98 117.98 113.90 1tru s PHE 89 Ca 0.06 1.35 -0.04 0.00 -0.05 0.00 0.00 56.93 58.25 1tru s PHE 89 Cb -0.01 0.37 -0.03 0.00 -0.63 0.00 0.00 43.02 42.72 1tru s PHE 89 CO -0.05 -0.29 0.00 -1.54 -0.05 0.00 0.00 175.22 173.29 1tru s SER 90 N 0.65 5.18 0.00 1.98 1.04 -1.26 -2.59 113.70 118.70 1tru s SER 90 Ca -0.01 0.03 0.00 0.00 0.48 0.00 0.00 55.95 56.45 1tru s SER 90 Cb -0.05 -1.71 0.00 0.00 0.10 0.00 0.00 66.02 64.36 1tru s SER 90 CO -0.09 0.25 0.00 0.61 0.98 0.00 0.00 173.24 175.00 1tru n GLY 91 N 2.99 4.04 2.13 7.32 0.00 -1.23 -4.97 105.19 115.46 1tru n GLY 91 Ca -0.18 -0.54 -0.23 0.00 0.00 0.00 0.00 46.02 45.08 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 -1.23 6.86 -3.46 4.61 0.00 -1.26 -4.77 120.51 121.26 1tru n ALA 92 Ca 0.00 -2.53 -0.43 0.00 0.00 0.00 0.00 53.44 50.48 1tru n ALA 92 Cb 0.00 -2.74 -0.04 0.00 0.00 0.00 0.00 19.45 16.67 1tru n ALA 92 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1tru s ASN 93 N 2.03 6.37 0.38 0.00 3.84 -1.26 -4.89 114.94 121.41 1tru s ASN 93 Ca 0.68 -2.94 0.05 0.00 0.21 0.00 0.00 52.86 50.86 1tru s ASN 93 Cb 0.26 -2.09 0.74 0.00 -0.55 0.00 0.00 41.25 39.61 1tru s ASN 93 CO -0.03 -0.45 2.01 0.07 -2.79 0.00 0.00 177.10 175.91 1tru h LYS 94 N 7.29 0.62 0.00 0.43 -0.00 -1.99 -1.15 116.57 121.77 1tru h LYS 94 Ca 0.09 -0.06 -0.05 0.00 -0.00 0.00 0.00 60.65 60.64 1tru h LYS 94 Cb 0.98 -0.13 -0.01 0.00 -0.00 0.00 0.00 32.23 33.07 1tru h LYS 94 CO 0.78 0.46 -0.22 0.93 -0.00 0.00 0.00 179.45 181.39 1tru h GLU 95 N 0.63 0.00 -0.38 0.07 4.39 -2.00 -2.81 114.58 114.48 1tru h GLU 95 Ca 0.16 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.78 1tru h GLU 95 Cb 0.01 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 1tru h GLU 95 CO -0.03 0.22 -0.10 -0.22 -1.16 0.00 0.00 179.01 177.73 1tru h LYS 96 N 0.00 0.74 -0.99 2.33 3.64 -1.62 -2.64 116.57 118.04 1tru h LYS 96 Ca -0.00 -0.29 0.26 0.00 -1.27 0.00 0.00 60.65 59.34 1tru h LYS 96 Cb 0.53 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.24 1tru h LYS 96 CO 0.03 0.89 0.67 -0.07 -2.27 0.00 0.00 179.45 178.70 1tru h LEU 97 N 0.55 0.29 0.07 5.20 3.38 -1.46 0.27 115.31 123.61 1tru h LEU 97 Ca 0.10 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1tru h LEU 97 Cb 0.62 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.37 1tru h LEU 97 CO 0.04 0.08 -0.03 -0.08 0.09 0.00 0.00 178.44 178.54 1tru h GLU 98 N 0.27 -0.09 -0.69 1.13 4.81 -1.55 0.15 114.58 118.61 1tru h GLU 98 Ca 0.52 0.01 0.17 0.00 -0.13 0.00 0.00 59.36 59.92 1tru h GLU 98 Cb 1.55 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.91 1tru h GLU 98 CO -0.16 -0.06 0.48 0.00 -0.73 0.00 0.00 179.01 178.54 1tru h ALA 99 N -1.92 2.38 0.06 2.92 0.00 -1.44 -0.82 119.26 120.43 1tru h ALA 99 Ca -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1tru h ALA 99 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1tru h ALA 99 CO 0.01 -0.57 -0.03 1.15 0.00 0.00 0.00 179.25 179.82 1tru h THR 100 N 0.19 1.25 -0.93 0.00 2.02 -0.45 -2.44 112.91 112.55 1tru h THR 100 Ca 0.33 -1.19 0.06 0.00 0.77 0.00 0.00 66.41 66.39 1tru h THR 100 Cb 1.05 2.02 -0.06 0.00 -1.74 0.00 0.00 68.15 69.41 1tru h THR 100 CO -0.06 0.29 0.59 0.40 0.37 0.00 0.00 175.52 177.11 1tru h ILE 101 N -0.62 1.07 0.00 3.11 2.04 0.21 0.46 117.51 123.78 1tru h ILE 101 Ca -0.01 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.48 1tru h ILE 101 Cb 0.54 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 1tru h ILE 101 CO 0.01 0.20 0.00 -3.20 0.00 0.00 0.00 178.15 175.16 1tru n ASN 102 N -4.56 0.00 -0.06 1.72 5.15 -0.40 -2.10 115.26 115.01 1tru n ASN 102 Ca 0.14 -0.40 -0.07 0.00 -0.60 0.00 0.00 54.58 53.64 1tru n ASN 102 Cb 0.18 -0.12 -0.06 0.00 -0.53 0.00 0.00 39.78 39.25 1tru n ASN 102 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 1tru h GLU 103 N 0.00 0.00 -0.63 1.20 4.81 0.44 -3.35 114.58 117.05 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 0.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1tru h GLU 103 CO 0.00 0.45 0.00 1.28 -0.73 0.00 0.00 179.01 180.01 1tru n LEU 104 N -4.68 5.05 0.00 1.64 4.77 -1.18 -5.11 117.00 117.48 1tru n LEU 104 Ca -0.06 -2.56 0.06 0.00 -0.03 0.00 0.00 56.01 53.42 1tru n LEU 104 Cb 0.24 -0.63 0.33 0.00 -2.33 0.00 0.00 43.42 41.03 1tru n LEU 104 CO 0.15 0.65 0.55 0.55 -1.33 0.00 0.00 177.39 177.96