#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 0.05 -0.20 2.03 1.01 -1.26 -3.44 120.40 118.59 1tru s VAL 2 Ca 0.00 -1.63 -0.05 0.00 0.00 0.00 0.00 61.98 60.30 1tru s VAL 2 Cb 0.00 -2.07 0.10 0.00 0.00 0.00 0.00 36.38 34.40 1tru s VAL 2 CO 0.00 -0.23 0.38 -0.75 0.00 0.00 0.00 175.10 174.51 1tru s LYS 3 N -4.03 0.30 -0.29 2.72 2.47 -1.00 -4.96 119.74 114.95 1tru s LYS 3 Ca 0.24 0.84 -0.29 0.00 -1.56 0.00 0.00 55.97 55.20 1tru s LYS 3 Cb 0.04 0.03 0.01 0.00 -1.46 0.00 0.00 37.83 36.46 1tru s LYS 3 CO 0.04 -0.37 1.05 -1.14 0.16 0.00 0.00 175.35 175.09 1tru s GLN 4 N 2.56 4.11 -0.34 4.03 0.74 -1.26 -2.60 119.66 126.90 1tru s GLN 4 Ca 0.03 1.12 -0.22 0.00 0.05 0.00 0.00 55.36 56.35 1tru s GLN 4 Cb -0.13 -3.71 0.00 0.00 1.10 0.00 0.00 33.01 30.27 1tru s GLN 4 CO -0.13 -0.82 0.71 0.42 -0.55 0.00 0.00 175.29 174.92 1tru s ILE 5 N 3.50 4.83 -0.20 -2.34 -1.09 -1.19 -4.90 121.20 119.80 1tru s ILE 5 Ca 0.44 0.81 0.21 0.00 -2.23 0.00 0.00 60.65 59.88 1tru s ILE 5 Cb -0.13 -4.12 -0.05 0.00 -1.58 0.00 0.00 42.46 36.58 1tru s ILE 5 CO 0.13 -0.32 0.96 -0.62 -1.23 0.00 0.00 174.94 173.85 1tru n GLU 6 N 6.17 0.61 -3.58 2.79 4.71 -1.26 -4.59 120.64 125.50 1tru n GLU 6 Ca 0.01 0.13 -0.10 0.00 -0.01 0.00 0.00 57.16 57.18 1tru n GLU 6 Cb 0.48 -1.81 -0.02 0.00 -1.01 0.00 0.00 31.44 29.09 1tru n GLU 6 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1tru s SER 7 N -5.41 -0.45 0.60 1.62 1.04 -1.26 -4.32 113.70 105.51 1tru s SER 7 Ca -0.01 -0.22 0.29 0.00 0.48 0.00 0.00 55.95 56.49 1tru s SER 7 Cb 0.10 0.63 1.58 0.00 0.10 0.00 0.00 66.02 68.43 1tru s SER 7 CO 0.80 -1.08 1.99 0.50 0.98 0.00 0.00 173.24 176.43 1tru h LYS 8 N 2.02 0.00 0.66 4.02 3.64 -1.92 -1.79 116.57 123.20 1tru h LYS 8 Ca -0.29 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.06 1tru h LYS 8 Cb 1.29 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1tru h LYS 8 CO 0.34 0.00 -0.38 1.15 -2.27 0.00 0.00 179.45 178.29 1tru h THR 9 N 0.00 0.22 0.00 1.00 2.02 -2.01 -1.81 112.91 112.33 1tru h THR 9 Ca 0.14 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.30 1tru h THR 9 Cb 0.82 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1tru h THR 9 CO -0.00 0.00 -0.06 0.00 0.37 0.00 0.00 175.52 175.83 1tru h ALA 10 N -0.69 1.19 0.33 6.16 0.00 -1.74 -2.98 119.26 121.54 1tru h ALA 10 Ca -0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 1tru h ALA 10 Cb 0.78 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1tru h ALA 10 CO 0.10 0.08 -0.16 0.35 0.00 0.00 0.00 179.25 179.61 1tru h PHE 11 N 0.00 -0.41 -0.05 0.00 3.57 -0.94 0.44 116.94 119.54 1tru h PHE 11 Ca -0.00 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 1tru h PHE 11 Cb 0.25 0.14 -0.00 0.00 2.79 0.00 0.00 35.95 39.13 1tru h PHE 11 CO 0.00 -0.23 0.03 1.96 -2.23 0.00 0.00 178.31 177.84 1tru h GLN 12 N -0.49 0.07 -0.03 1.11 4.20 -1.34 -1.91 115.11 116.72 1tru h GLN 12 Ca -0.05 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.67 1tru h GLN 12 Cb 0.37 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.14 1tru h GLN 12 CO 0.08 0.13 0.03 0.93 -0.67 0.00 0.00 178.83 179.32 1tru h GLU 13 N -0.00 0.00 -0.29 1.46 4.39 -1.48 -1.84 114.58 116.82 1tru h GLU 13 Ca 0.02 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.59 1tru h GLU 13 Cb 0.08 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.72 1tru h GLU 13 CO -0.00 0.00 -0.33 0.00 -1.16 0.00 0.00 179.01 177.52 1tru h ALA 14 N 1.97 0.42 -0.36 3.43 0.00 -0.11 -0.95 119.26 123.66 1tru h ALA 14 Ca 0.02 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 1tru h ALA 14 Cb 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1tru h ALA 14 CO -0.00 0.47 -0.24 -0.07 0.00 0.00 0.00 179.25 179.41 1tru h LEU 15 N 0.47 0.83 -1.07 0.00 3.38 -0.97 -2.29 115.31 115.67 1tru h LEU 15 Ca 0.04 -0.43 -0.09 0.00 0.09 0.00 0.00 57.88 57.48 1tru h LEU 15 Cb 0.91 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 1tru h LEU 15 CO 0.08 1.09 -0.36 -0.78 0.09 0.00 0.00 178.44 178.56 1tru h ASP 16 N 0.58 0.21 0.46 -0.43 3.58 -1.41 -2.57 116.42 116.84 1tru h ASP 16 Ca 0.07 -0.08 -0.11 0.00 0.42 0.00 0.00 57.03 57.33 1tru h ASP 16 Cb 0.81 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.79 1tru h ASP 16 CO 0.07 0.56 -0.51 0.00 -2.88 0.00 0.00 179.24 176.47 1tru h ALA 17 N 1.46 1.12 -0.49 -0.78 0.00 -0.98 -2.86 119.26 116.73 1tru h ALA 17 Ca 0.02 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 1tru h ALA 17 Cb 0.72 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1tru h ALA 17 CO 0.05 0.64 0.19 0.00 0.00 0.00 0.00 179.25 180.14 1tru h ALA 18 N 1.44 1.42 0.00 0.00 0.00 -0.99 -3.47 119.26 117.66 1tru h ALA 18 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1tru h ALA 18 Cb 0.92 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1tru h ALA 18 CO 0.07 0.44 0.00 0.41 0.00 0.00 0.00 179.25 180.17 1tru n GLY 19 N -1.10 2.05 0.00 0.00 0.00 -1.08 -3.08 105.19 101.97 1tru n GLY 19 Ca 0.04 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 6.01 0.49 -4.83 1.61 2.03 -1.26 -4.09 116.55 116.50 1tru n ASP 20 Ca 0.00 -1.24 -0.30 0.00 0.52 0.00 0.00 54.79 53.77 1tru n ASP 20 Cb 0.00 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 40.46 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 -0.24 2.57 0.77 -0.67 1.02 -1.18 -4.82 119.74 117.21 1tru s LYS 21 Ca 0.00 0.67 -0.13 0.00 0.02 0.00 0.00 55.97 56.53 1tru s LYS 21 Cb 0.00 -1.97 0.06 0.00 -0.52 0.00 0.00 37.83 35.40 1tru s LYS 21 CO 0.00 -1.28 1.17 -1.17 -0.92 0.00 0.00 175.35 173.15 1tru s LEU 22 N -5.58 3.18 -0.32 3.17 0.20 -1.26 -4.61 118.68 113.46 1tru s LEU 22 Ca 0.59 2.24 0.01 0.00 0.69 0.00 0.00 54.13 57.66 1tru s LEU 22 Cb -0.13 -4.57 0.14 0.00 -0.43 0.00 0.00 46.19 41.20 1tru s LEU 22 CO 0.54 -2.40 0.31 -0.69 -0.29 0.00 0.00 176.35 173.83 1tru s VAL 23 N -2.26 -0.33 -0.28 1.68 1.01 -1.02 -2.94 120.40 116.26 1tru s VAL 23 Ca 0.71 -0.76 -0.11 0.00 0.00 0.00 0.00 61.98 61.82 1tru s VAL 23 Cb -0.26 -0.88 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 1tru s VAL 23 CO 0.49 -0.55 0.19 -0.69 0.00 0.00 0.00 175.10 174.54 1tru s VAL 24 N 1.93 5.29 -0.12 2.92 1.01 -1.05 -0.12 120.40 130.26 1tru s VAL 24 Ca 0.13 0.16 -0.13 0.00 0.00 0.00 0.00 61.98 62.14 1tru s VAL 24 Cb -0.15 -3.52 -0.05 0.00 0.00 0.00 0.00 36.38 32.66 1tru s VAL 24 CO -0.20 0.25 0.28 -0.69 0.00 0.00 0.00 175.10 174.74 1tru s VAL 25 N 1.74 5.29 -0.30 2.92 1.01 0.75 -2.62 120.40 129.19 1tru s VAL 25 Ca 0.07 0.53 -0.06 0.00 0.00 0.00 0.00 61.98 62.52 1tru s VAL 25 Cb -0.16 -3.60 0.02 0.00 0.00 0.00 0.00 36.38 32.64 1tru s VAL 25 CO 0.11 0.47 0.08 -0.62 0.00 0.00 0.00 175.10 175.14 1tru s ASP 26 N -0.12 5.12 -0.51 3.32 2.15 -0.78 -0.96 116.67 124.90 1tru s ASP 26 Ca 0.17 -0.85 -0.16 0.00 0.43 0.00 0.00 52.55 52.15 1tru s ASP 26 Cb -0.13 -1.86 0.10 0.00 -0.30 0.00 0.00 42.92 40.73 1tru s ASP 26 CO 0.05 -0.23 0.46 -0.36 -0.17 0.00 0.00 175.17 174.92 1tru s PHE 27 N 1.46 3.24 0.21 -5.34 0.08 0.11 -2.80 117.98 114.93 1tru s PHE 27 Ca 0.01 -1.10 -0.04 0.00 0.12 0.00 0.00 56.93 55.92 1tru s PHE 27 Cb -0.18 -3.50 -0.03 0.00 -0.57 0.00 0.00 43.02 38.74 1tru s PHE 27 CO 0.02 -0.92 0.20 -1.12 -0.10 0.00 0.00 175.22 173.30 1tru s SER 28 N 3.12 0.10 -0.55 1.36 0.01 -1.22 -1.60 113.70 114.92 1tru s SER 28 Ca 0.04 -1.27 -0.17 0.00 1.31 0.00 0.00 55.95 55.85 1tru s SER 28 Cb -0.27 0.42 0.11 0.00 0.21 0.00 0.00 66.02 66.49 1tru s SER 28 CO 0.05 -0.90 0.56 0.00 0.41 0.00 0.00 173.24 173.36 1tru s ALA 29 N -4.12 3.56 0.55 1.44 0.00 -1.26 -3.15 121.76 118.78 1tru s ALA 29 Ca 0.34 -2.36 0.25 0.00 0.00 0.00 0.00 51.96 50.19 1tru s ALA 29 Cb 0.05 -3.33 1.47 0.00 0.00 0.00 0.00 23.12 21.31 1tru s ALA 29 CO 0.11 -2.09 2.05 0.00 0.00 0.00 0.00 175.76 175.82 1tru h THR 30 N 5.89 0.67 -0.03 0.00 1.03 -1.95 0.53 112.91 119.04 1tru h THR 30 Ca -0.30 0.00 -0.23 0.00 -0.01 0.00 0.00 66.41 65.88 1tru h THR 30 Cb 1.10 0.80 0.01 0.00 -1.07 0.00 0.00 68.15 68.98 1tru h THR 30 CO 1.04 0.00 -0.91 4.11 -0.01 0.00 0.00 175.52 179.74 1tru h TRP 31 N 0.00 0.72 -3.21 0.00 5.08 -2.02 -3.45 115.95 113.08 1tru h TRP 31 Ca 0.16 -0.37 -0.47 0.00 1.08 0.00 0.00 58.89 59.28 1tru h TRP 31 Cb 0.69 -0.09 0.22 0.00 -3.00 0.00 0.00 29.16 26.98 1tru h TRP 31 CO 0.00 1.19 -0.30 0.00 -1.28 0.00 0.00 178.44 178.05 1tru n GLY 33 N 1.19 -0.39 0.35 0.00 0.00 -1.26 -3.87 105.19 101.20 1tru n GLY 33 Ca 0.04 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 -1.96 -0.34 132.00 131.44 1tru h PRO 34 Ca 0.00 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.05 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 -0.28 0.00 -0.21 0.00 0.00 178.00 177.51 1tru n LYS 36 N -4.52 0.09 0.11 0.00 4.81 -0.28 -2.06 118.16 116.30 1tru n LYS 36 Ca -0.14 0.42 0.10 0.00 -0.87 0.00 0.00 58.31 57.83 1tru n LYS 36 Cb 0.55 -1.70 0.45 0.00 0.02 0.00 0.00 35.03 34.35 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 -1.87 0.14 -0.95 1.64 1.56 -0.36 -2.20 117.12 115.08 1tru n MET 37 Ca 0.02 0.44 -0.07 0.00 -0.27 0.00 0.00 57.70 57.81 1tru n MET 37 Cb 0.13 -1.81 0.27 0.00 2.15 0.00 0.00 33.22 33.96 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 -2.08 2.72 0.05 1.12 5.41 -0.88 -4.37 119.36 121.33 1tru n ILE 38 Ca 0.02 -1.48 0.01 0.00 1.00 0.00 0.00 62.75 62.30 1tru n ILE 38 Cb 0.17 -0.41 -0.07 0.00 -0.71 0.00 0.00 39.64 38.63 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 2.31 0.00 0.00 0.38 2.10 -1.67 -3.25 116.57 116.44 1tru h LYS 39 Ca 0.27 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.92 1tru h LYS 39 Cb 2.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.57 1tru h LYS 39 CO 0.71 0.28 0.00 -0.35 -2.00 0.00 0.00 179.45 178.09 1tru n PRO 40 N -2.90 0.69 0.00 0.07 -0.04 -1.26 -2.73 135.00 128.83 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 0.81 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 33.04 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 -0.73 0.00 0.41 0.54 3.72 -1.25 -4.37 117.46 115.78 1tru n PHE 41 Ca 0.08 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.32 1tru n PHE 41 Cb 0.04 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.50 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 -0.98 0.00 1.38 3.57 -1.69 -1.91 116.94 117.32 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 0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.06 1tru h PHE 42 CO 0.00 -0.61 0.00 1.58 -2.23 0.00 0.00 178.31 177.05 1tru n HIS 43 N -4.82 0.00 0.07 0.41 -0.00 -1.10 -1.92 115.22 107.86 1tru n HIS 43 Ca -0.13 0.00 0.03 0.00 0.46 0.00 0.00 57.72 58.08 1tru n HIS 43 Cb 0.41 -0.28 -0.04 0.00 -0.12 0.00 0.00 29.99 29.96 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 -1.20 -3.29 113.55 110.22 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 0.45 0.00 0.18 -0.53 0.00 0.00 176.83 176.93 1tru n LEU 45 N -2.94 0.00 -0.19 2.23 4.77 -0.81 -1.90 117.00 118.16 1tru n LEU 45 Ca -0.05 0.50 0.06 0.00 -0.03 0.00 0.00 56.01 56.49 1tru n LEU 45 Cb 0.76 -0.50 0.35 0.00 -2.33 0.00 0.00 43.42 41.70 1tru n LEU 45 CO 0.42 -0.49 1.22 0.28 -1.33 0.00 0.00 177.39 177.49 1tru h SER 46 N 0.00 0.68 0.90 -1.43 0.02 -1.76 0.53 113.55 112.49 1tru h SER 46 Ca 0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 1tru h SER 46 Cb 0.01 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1tru h SER 46 CO 0.00 0.44 -1.17 -0.33 -1.14 0.00 0.00 176.83 174.63 1tru h GLU 47 N 0.77 0.00 0.00 3.45 5.08 -1.68 -3.35 114.58 118.86 1tru h GLU 47 Ca 0.32 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.63 1tru h GLU 47 Cb 0.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1tru h GLU 47 CO -0.11 0.22 -0.39 -0.22 -1.00 0.00 0.00 179.01 177.51 1tru h LYS 48 N 0.00 0.00 -3.51 2.33 3.64 -1.37 -3.42 116.57 114.24 1tru h LYS 48 Ca -0.10 0.00 -0.72 0.00 -1.27 0.00 0.00 60.65 58.56 1tru h LYS 48 Cb 1.38 0.00 -0.34 0.00 -0.41 0.00 0.00 32.23 32.87 1tru h LYS 48 CO 0.03 0.39 -0.15 0.71 -2.27 0.00 0.00 179.45 178.17 1tru s TYR 49 N -2.04 3.69 -1.32 1.91 2.02 0.18 -4.88 117.35 116.91 1tru s TYR 49 Ca -0.14 -2.73 0.17 0.00 -0.37 0.00 0.00 57.07 54.00 1tru s TYR 49 Cb 0.01 -3.34 0.84 0.00 -0.40 0.00 0.00 41.96 39.07 1tru s TYR 49 CO 0.31 -0.83 1.52 -1.13 -1.57 0.00 0.00 175.55 173.86 1tru n SER 50 N 3.06 0.00 -2.22 2.29 3.41 -1.26 -2.83 113.62 116.07 1tru n SER 50 Ca 0.15 0.16 -0.26 0.00 -0.26 0.00 0.00 58.87 58.66 1tru n SER 50 Cb 0.39 -0.34 0.15 0.00 -0.26 0.00 0.00 64.21 64.14 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 -1.34 4.81 -4.03 4.04 5.15 -1.26 -4.25 115.26 118.37 1tru n ASN 51 Ca 0.07 -3.60 -0.18 0.00 -0.60 0.00 0.00 54.58 50.27 1tru n ASN 51 Cb 0.15 -0.87 -0.14 0.00 -0.53 0.00 0.00 39.78 38.39 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 -3.59 0.70 -0.33 3.44 1.01 -1.13 -4.71 120.40 115.79 1tru s VAL 52 Ca 0.57 -0.53 -0.14 0.00 0.00 0.00 0.00 61.98 61.88 1tru s VAL 52 Cb 0.47 -0.62 -0.02 0.00 0.00 0.00 0.00 36.38 36.21 1tru s VAL 52 CO 0.07 0.09 0.29 -0.63 0.00 0.00 0.00 175.10 174.92 1tru s ILE 53 N -0.43 5.24 -0.16 2.22 -1.09 -1.15 -3.29 121.20 122.53 1tru s ILE 53 Ca 0.01 -0.05 -0.03 0.00 -2.23 0.00 0.00 60.65 58.36 1tru s ILE 53 Cb -0.05 -3.74 -0.02 0.00 -1.58 0.00 0.00 42.46 37.07 1tru s ILE 53 CO 0.00 -0.02 -0.05 -0.36 -1.23 0.00 0.00 174.94 173.28 1tru s PHE 54 N 1.86 2.98 -0.13 3.97 0.08 -1.22 -2.53 117.98 122.99 1tru s PHE 54 Ca 0.09 -0.46 -0.03 0.00 0.12 0.00 0.00 56.93 56.65 1tru s PHE 54 Cb -0.17 -1.97 -0.03 0.00 -0.57 0.00 0.00 43.02 40.28 1tru s PHE 54 CO 0.11 -0.15 -0.02 -0.51 -0.10 0.00 0.00 175.22 174.55 1tru s LEU 55 N 0.57 3.42 -0.36 -0.37 1.02 -1.08 -2.37 118.68 119.51 1tru s LEU 55 Ca -0.04 -0.00 -0.03 0.00 0.02 0.00 0.00 54.13 54.08 1tru s LEU 55 Cb -0.15 -1.81 0.08 0.00 0.02 0.00 0.00 46.19 44.34 1tru s LEU 55 CO 0.03 0.26 0.12 -0.70 0.02 0.00 0.00 176.35 176.08 1tru s GLU 56 N -0.17 2.24 -0.19 1.70 2.12 -1.07 -1.86 118.70 121.46 1tru s GLU 56 Ca 0.04 -1.54 -0.07 0.00 0.36 0.00 0.00 54.97 53.76 1tru s GLU 56 Cb -0.13 -3.44 -0.04 0.00 0.26 0.00 0.00 34.13 30.79 1tru s GLU 56 CO 0.02 -0.86 0.05 0.08 -0.54 0.00 0.00 175.26 174.01 1tru s VAL 57 N 1.22 4.56 -0.31 3.70 1.01 -1.12 -3.17 120.40 126.30 1tru s VAL 57 Ca 0.02 -0.11 -0.15 0.00 0.00 0.00 0.00 61.98 61.74 1tru s VAL 57 Cb -0.21 -3.07 -0.02 0.00 0.00 0.00 0.00 36.38 33.08 1tru s VAL 57 CO -0.02 0.44 0.38 -0.62 0.00 0.00 0.00 175.10 175.28 1tru s ASP 58 N 0.66 6.23 0.00 3.32 2.15 -1.26 -3.40 116.67 124.36 1tru s ASP 58 Ca 0.03 0.05 0.02 0.00 0.43 0.00 0.00 52.55 53.07 1tru s ASP 58 Cb -0.13 -2.21 0.12 0.00 -0.30 0.00 0.00 42.92 40.40 1tru s ASP 58 CO 0.02 -0.28 0.41 1.33 -0.17 0.00 0.00 175.17 176.48 1tru n VAL 59 N 5.20 0.00 -0.05 1.11 0.24 -1.19 -1.01 118.33 122.64 1tru n VAL 59 Ca -0.08 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.15 1tru n VAL 59 Cb 0.50 -0.61 -0.05 0.00 -1.47 0.00 0.00 33.84 32.21 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 -0.70 3.24 -0.00 -1.34 9.92 -1.26 -4.29 116.55 122.12 1tru n ASP 60 Ca 0.02 -0.05 -0.21 0.00 -0.53 0.00 0.00 54.79 54.01 1tru n ASP 60 Cb 0.01 -0.14 -0.14 0.00 -0.64 0.00 0.00 41.12 40.21 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 -1.94 -2.24 3.58 -1.82 -3.36 116.42 110.98 1tru h ASP 61 Ca -0.22 -0.84 -0.74 0.00 0.42 0.00 0.00 57.03 55.66 1tru h ASP 61 Cb 1.34 -0.11 -0.29 0.00 1.72 0.00 0.00 39.33 41.99 1tru h ASP 61 CO -0.03 1.57 0.79 0.00 -2.88 0.00 0.00 179.24 178.68 1tru n ALA 62 N -2.98 6.28 0.09 -0.78 0.00 -0.18 -4.72 120.51 118.23 1tru n ALA 62 Ca -0.25 -4.17 0.06 0.00 0.00 0.00 0.00 53.44 49.08 1tru n ALA 62 Cb 0.86 -1.78 0.30 0.00 0.00 0.00 0.00 19.45 18.83 1tru n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tru n GLN 63 N -0.51 0.07 -0.03 0.00 -0.00 -1.26 -0.94 117.38 114.71 1tru n GLN 63 Ca 0.51 0.54 -0.17 0.00 -0.00 0.00 0.00 57.00 57.88 1tru n GLN 63 Cb 0.30 -1.82 -0.06 0.00 -0.00 0.00 0.00 30.24 28.65 1tru n GLN 63 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.06 177.44 1tru h ASP 64 N 0.00 0.95 0.79 2.61 2.03 -1.93 -2.48 116.42 118.39 1tru h ASP 64 Ca 0.00 -0.61 -0.15 0.00 -0.73 0.00 0.00 57.03 55.54 1tru h ASP 64 Cb 0.16 -0.28 -0.02 0.00 -0.83 0.00 0.00 39.33 38.36 1tru h ASP 64 CO 0.00 1.41 -0.73 0.58 -1.03 0.00 0.00 179.24 179.47 1tru h VAL 65 N 0.56 1.49 -0.47 4.15 2.07 -1.43 -2.62 116.25 120.01 1tru h VAL 65 Ca -0.04 -2.54 -0.10 0.00 0.82 0.00 0.00 66.70 64.84 1tru h VAL 65 Cb 1.37 2.38 -0.02 0.00 -1.52 0.00 0.00 31.29 33.51 1tru h VAL 65 CO 0.16 0.72 -0.08 0.00 0.02 0.00 0.00 177.57 178.38 1tru h ALA 66 N 1.27 0.64 -0.26 1.67 0.00 -1.44 -0.47 119.26 120.67 1tru h ALA 66 Ca -0.01 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.48 1tru h ALA 66 Cb 1.32 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.94 1tru h ALA 66 CO 0.10 0.52 -0.25 1.03 0.00 0.00 0.00 179.25 180.64 1tru h SER 67 N 0.73 0.67 -0.23 0.00 0.87 -1.43 -0.64 113.55 113.53 1tru h SER 67 Ca 0.12 -0.47 -0.01 0.00 -1.23 0.00 0.00 61.79 60.20 1tru h SER 67 Cb 0.62 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 1tru h SER 67 CO 0.04 1.00 0.11 -0.08 -0.53 0.00 0.00 176.83 177.37 1tru h GLU 68 N 0.35 0.32 0.00 2.24 4.57 -1.39 -1.16 114.58 119.51 1tru h GLU 68 Ca 0.04 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1tru h GLU 68 Cb 0.81 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.34 1tru h GLU 68 CO 0.06 0.33 0.00 0.00 -1.18 0.00 0.00 179.01 178.22 1tru n ALA 69 N -2.22 2.13 -3.73 2.92 0.00 -0.19 -4.88 120.51 114.54 1tru n ALA 69 Ca -0.03 -0.10 -0.22 0.00 0.00 0.00 0.00 53.44 53.08 1tru n ALA 69 Cb 0.09 -1.35 0.03 0.00 0.00 0.00 0.00 19.45 18.22 1tru n ALA 69 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1tru n GLU 70 N -1.27 -4.90 -2.80 0.00 1.02 -0.34 -4.89 120.64 107.46 1tru n GLU 70 Ca 0.11 0.61 -0.43 0.00 -0.02 0.00 0.00 57.16 57.42 1tru n GLU 70 Cb 0.17 -5.18 -0.04 0.00 -0.02 0.00 0.00 31.44 26.37 1tru n GLU 70 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1tru s VAL 71 N -3.65 4.40 -0.11 2.62 1.01 -0.65 -4.84 120.40 119.19 1tru s VAL 71 Ca 0.07 0.63 0.15 0.00 0.00 0.00 0.00 61.98 62.83 1tru s VAL 71 Cb -0.03 -4.49 0.24 0.00 0.00 0.00 0.00 36.38 32.09 1tru s VAL 71 CO 0.82 -0.96 1.13 0.29 0.00 0.00 0.00 175.10 176.37 1tru n LYS 72 N 7.37 1.62 -3.28 2.72 5.02 -1.26 -4.88 118.16 125.47 1tru n LYS 72 Ca 0.05 -2.39 -0.11 0.00 -2.02 0.00 0.00 58.31 53.85 1tru n LYS 72 Cb 0.48 -1.41 -0.05 0.00 -0.02 0.00 0.00 35.03 34.03 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 -2.53 -1.06 0.22 7.82 0.00 -1.26 -5.14 121.76 119.80 1tru s ALA 73 Ca 0.26 -0.64 -0.02 0.00 0.00 0.00 0.00 51.96 51.56 1tru s ALA 73 Cb 0.23 -2.29 -0.05 0.00 0.00 0.00 0.00 23.12 21.01 1tru s ALA 73 CO 0.03 -2.17 0.44 0.95 0.00 0.00 0.00 175.76 175.00 1tru s THR 74 N 1.46 5.14 0.48 0.00 -4.23 -1.26 -4.05 115.64 113.19 1tru s THR 74 Ca 0.18 -0.20 -0.20 0.00 -1.18 0.00 0.00 61.69 60.29 1tru s THR 74 Cb -0.10 -3.72 -0.09 0.00 1.34 0.00 0.00 72.50 69.93 1tru s THR 74 CO -0.04 -0.20 1.00 -2.16 -0.54 0.00 0.00 174.62 172.68 1tru s PRO 75 N -3.34 3.91 -0.04 3.99 0.04 -1.26 -5.01 135.00 133.29 1tru s PRO 75 Ca 0.40 1.22 -0.01 0.00 0.04 0.00 0.00 61.00 62.65 1tru s PRO 75 Cb -0.11 -2.12 0.03 0.00 0.04 0.00 0.00 34.50 32.34 1tru s PRO 75 CO 0.29 -0.32 0.03 0.99 0.04 0.00 0.00 177.00 178.03 1tru s THR 76 N -2.17 0.08 -0.14 1.26 2.01 -0.63 -3.39 115.64 112.66 1tru s THR 76 Ca 0.64 0.23 -0.05 0.00 0.31 0.00 0.00 61.69 62.82 1tru s THR 76 Cb -0.13 -0.25 -0.04 0.00 0.01 0.00 0.00 72.50 72.09 1tru s THR 76 CO 0.21 0.17 0.03 -0.36 -0.69 0.00 0.00 174.62 173.97 1tru s PHE 77 N 1.60 3.20 0.05 4.92 0.08 -1.10 -0.71 117.98 126.01 1tru s PHE 77 Ca -0.02 0.06 0.08 0.00 0.12 0.00 0.00 56.93 57.17 1tru s PHE 77 Cb -0.13 -1.95 -0.03 0.00 -0.57 0.00 0.00 43.02 40.34 1tru s PHE 77 CO -0.03 0.25 -0.23 -0.65 -0.10 0.00 0.00 175.22 174.46 1tru s GLN 78 N -0.12 1.54 -0.20 0.44 -0.21 -0.13 -1.95 119.66 119.02 1tru s GLN 78 Ca 0.05 -1.03 -0.05 0.00 0.02 0.00 0.00 55.36 54.35 1tru s GLN 78 Cb -0.12 -1.70 -0.03 0.00 1.00 0.00 0.00 33.01 32.16 1tru s GLN 78 CO 0.02 0.43 0.01 -0.06 -2.12 0.00 0.00 175.29 173.57 1tru s PHE 79 N -0.82 3.05 0.23 0.91 0.40 0.97 -0.17 117.98 122.55 1tru s PHE 79 Ca 0.09 -0.41 0.09 0.00 -0.60 0.00 0.00 56.93 56.10 1tru s PHE 79 Cb -0.09 -2.09 -0.05 0.00 0.51 0.00 0.00 43.02 41.30 1tru s PHE 79 CO 0.02 -0.21 -0.16 -0.06 0.70 0.00 0.00 175.22 175.51 1tru s PHE 80 N 0.96 1.88 -0.20 0.36 0.08 0.84 -1.34 117.98 120.57 1tru s PHE 80 Ca 0.02 -0.50 -0.13 0.00 0.12 0.00 0.00 56.93 56.44 1tru s PHE 80 Cb -0.14 -0.85 0.06 0.00 -0.57 0.00 0.00 43.02 41.51 1tru s PHE 80 CO 0.02 0.47 0.49 0.21 -0.10 0.00 0.00 175.22 176.31 1tru s LYS 81 N -3.60 0.52 0.00 0.44 2.47 -0.14 -2.44 119.74 116.99 1tru s LYS 81 Ca 0.25 0.85 0.00 0.00 -1.56 0.00 0.00 55.97 55.50 1tru s LYS 81 Cb -0.02 0.11 0.00 0.00 -1.46 0.00 0.00 37.83 36.46 1tru s LYS 81 CO 0.09 -0.13 0.00 1.63 0.16 0.00 0.00 175.35 177.10 1tru n LYS 82 N 3.81 -1.99 -0.44 4.03 5.02 -1.26 0.84 118.16 128.18 1tru n LYS 82 Ca -0.20 0.29 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 1tru n LYS 82 Cb 0.56 -3.97 0.00 0.00 -0.02 0.00 0.00 35.03 31.61 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 0.58 1.42 2.94 0.72 0.00 -1.26 -4.92 105.19 104.67 1tru n GLY 83 Ca 0.00 -0.23 -0.21 0.00 0.00 0.00 0.00 46.02 45.57 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 -1.45 1.09 -0.04 1.61 -0.21 0.25 -5.10 119.66 115.80 1tru s GLN 84 Ca 0.00 -0.22 -0.30 0.00 0.02 0.00 0.00 55.36 54.86 1tru s GLN 84 Cb 0.00 -0.99 -0.06 0.00 1.00 0.00 0.00 33.01 32.96 1tru s GLN 84 CO 0.00 -0.02 1.67 0.21 -2.12 0.00 0.00 175.29 175.02 1tru s LYS 85 N 0.73 4.18 -0.00 2.91 2.20 -1.26 -0.96 119.74 127.54 1tru s LYS 85 Ca -0.12 2.22 0.11 0.00 -0.36 0.00 0.00 55.97 57.82 1tru s LYS 85 Cb -0.14 -3.96 -0.12 0.00 -1.51 0.00 0.00 37.83 32.09 1tru s LYS 85 CO 0.01 -0.84 0.42 1.33 -0.36 0.00 0.00 175.35 175.91 1tru n VAL 86 N 5.42 0.00 -3.60 4.02 0.24 -0.45 -4.95 118.33 119.01 1tru n VAL 86 Ca 0.17 -0.25 0.01 0.00 -2.04 0.00 0.00 64.34 62.23 1tru n VAL 86 Cb 0.43 0.89 -0.01 0.00 -1.47 0.00 0.00 33.84 33.67 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 -2.19 -0.35 -0.14 7.63 0.00 -1.18 -5.01 107.32 106.08 1tru s GLY 87 Ca 0.03 1.44 -0.31 0.00 0.00 0.00 0.00 44.72 45.88 1tru s GLY 87 CO 0.44 0.41 1.06 -1.83 0.00 0.00 0.00 173.10 173.18 1tru s GLU 88 N -2.01 0.52 -0.28 2.90 -1.05 -1.26 -0.02 118.70 117.50 1tru s GLU 88 Ca 0.14 -0.06 -0.22 0.00 -0.15 0.00 0.00 54.97 54.68 1tru s GLU 88 Cb 0.04 0.24 0.12 0.00 -0.44 0.00 0.00 34.13 34.09 1tru s GLU 88 CO -0.05 -0.20 0.95 -0.59 0.95 0.00 0.00 175.26 176.33 1tru s PHE 89 N -1.97 -0.59 -0.11 4.83 -0.12 -0.83 -4.99 117.98 114.20 1tru s PHE 89 Ca 0.04 1.33 -0.03 0.00 -0.05 0.00 0.00 56.93 58.22 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 -0.04 -0.29 -0.00 -1.54 -0.05 0.00 0.00 175.22 173.30 1tru s SER 90 N 0.64 5.15 0.00 1.98 1.04 -1.26 -2.71 113.70 118.54 1tru s SER 90 Ca -0.01 0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.48 1tru s SER 90 Cb -0.05 -1.58 0.00 0.00 0.10 0.00 0.00 66.02 64.49 1tru s SER 90 CO -0.09 0.31 0.00 0.61 0.98 0.00 0.00 173.24 175.05 1tru n GLY 91 N 2.62 4.15 2.13 7.32 0.00 -1.22 -4.97 105.19 115.22 1tru n GLY 91 Ca -0.18 -0.65 -0.22 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.37 6.83 -3.49 4.61 0.00 -1.26 -4.74 120.51 121.10 1tru n ALA 92 Ca 0.00 -2.50 -0.41 0.00 0.00 0.00 0.00 53.44 50.53 1tru n ALA 92 Cb 0.00 -2.71 -0.04 0.00 0.00 0.00 0.00 19.45 16.70 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 6.57 0.51 0.00 3.04 -1.26 -4.88 114.94 120.94 1tru s ASN 93 Ca 0.68 -3.48 0.16 0.00 0.04 0.00 0.00 52.86 50.26 1tru s ASN 93 Cb 0.27 -2.06 1.23 0.00 -1.54 0.00 0.00 41.25 39.15 1tru s ASN 93 CO -0.03 -0.29 2.11 0.07 -3.04 0.00 0.00 177.10 175.93 1tru h LYS 94 N 6.57 0.08 0.00 0.43 -0.00 -1.99 0.67 116.57 122.32 1tru h LYS 94 Ca 0.15 -0.00 -0.05 0.00 -0.00 0.00 0.00 60.65 60.75 1tru h LYS 94 Cb 0.88 -0.02 -0.01 0.00 -0.00 0.00 0.00 32.23 33.08 1tru h LYS 94 CO 0.89 0.05 -0.22 0.93 -0.00 0.00 0.00 179.45 181.11 1tru h GLU 95 N 0.08 0.00 -0.33 0.07 5.08 -1.99 -2.79 114.58 114.69 1tru h GLU 95 Ca 0.07 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.32 1tru h GLU 95 Cb 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1tru h GLU 95 CO -0.01 0.22 -0.20 -0.22 -1.00 0.00 0.00 179.01 177.80 1tru h LYS 96 N 0.00 0.72 -0.97 2.33 3.64 -1.27 -2.76 116.57 118.27 1tru h LYS 96 Ca -0.00 -0.33 0.27 0.00 -1.27 0.00 0.00 60.65 59.31 1tru h LYS 96 Cb 0.53 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.29 1tru h LYS 96 CO 0.03 0.94 0.68 -0.07 -2.27 0.00 0.00 179.45 178.76 1tru h LEU 97 N 0.50 0.13 0.00 5.20 3.38 -1.46 0.20 115.31 123.26 1tru h LEU 97 Ca 0.07 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.06 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 0.04 0.00 1.21 0.09 0.00 0.00 178.44 179.83 1tru n GLU 98 N -4.34 0.00 -0.07 1.13 2.13 -1.04 -0.16 120.64 118.28 1tru n GLU 98 Ca 0.21 0.49 0.18 0.00 0.66 0.00 0.00 57.16 58.70 1tru n GLU 98 Cb 0.96 -1.33 0.62 0.00 0.27 0.00 0.00 31.44 31.96 1tru n GLU 98 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1tru h ALA 99 N -2.00 2.36 0.09 4.31 0.00 -1.50 -1.03 119.26 121.48 1tru h ALA 99 Ca 0.00 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1tru h ALA 99 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1tru h ALA 99 CO 0.00 -0.53 -0.04 1.15 0.00 0.00 0.00 179.25 179.83 1tru h THR 100 N 0.16 1.16 -0.94 0.00 2.02 -0.59 -2.38 112.91 112.34 1tru h THR 100 Ca 0.30 -1.16 0.07 0.00 0.77 0.00 0.00 66.41 66.39 1tru h THR 100 Cb 0.96 1.88 -0.07 0.00 -1.74 0.00 0.00 68.15 69.18 1tru h THR 100 CO -0.05 0.27 0.60 0.40 0.37 0.00 0.00 175.52 177.11 1tru h ILE 101 N -0.68 1.06 0.00 3.11 2.04 0.19 0.49 117.51 123.72 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 0.02 0.20 0.00 -3.20 0.00 0.00 0.00 178.15 175.17 1tru n ASN 102 N -4.56 0.00 -0.06 1.72 5.15 -0.46 -1.97 115.26 115.08 1tru n ASN 102 Ca 0.14 -0.27 -0.07 0.00 -0.60 0.00 0.00 54.58 53.78 1tru n ASN 102 Cb 0.18 -0.17 -0.06 0.00 -0.53 0.00 0.00 39.78 39.20 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 -0.60 1.20 4.57 0.52 -3.35 114.58 116.92 1tru h GLU 103 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1tru h GLU 103 Cb 0.12 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.71 1tru h GLU 103 CO 0.00 0.48 0.00 1.28 -1.18 0.00 0.00 179.01 179.59 1tru n LEU 104 N -4.68 5.50 0.00 1.64 4.77 -1.16 -5.11 117.00 117.95 1tru n LEU 104 Ca -0.06 -2.79 0.06 0.00 -0.03 0.00 0.00 56.01 53.19 1tru n LEU 104 Cb 0.25 -0.67 0.33 0.00 -2.33 0.00 0.00 43.42 41.00 1tru n LEU 104 CO 0.16 0.62 0.55 0.55 -1.33 0.00 0.00 177.39 177.94