#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 0.16 -0.20 2.03 1.01 -1.26 -3.21 120.40 118.92 1tru s VAL 2 Ca 0.00 -1.38 -0.06 0.00 0.00 0.00 0.00 61.98 60.54 1tru s VAL 2 Cb 0.00 -1.44 0.10 0.00 0.00 0.00 0.00 36.38 35.03 1tru s VAL 2 CO 0.00 -0.71 0.41 -0.75 0.00 0.00 0.00 175.10 174.05 1tru s LYS 3 N -3.89 0.32 -0.18 2.72 2.47 -1.14 -5.00 119.74 115.04 1tru s LYS 3 Ca 0.07 0.97 -0.29 0.00 -1.56 0.00 0.00 55.97 55.17 1tru s LYS 3 Cb 0.06 0.24 -0.00 0.00 -1.46 0.00 0.00 37.83 36.66 1tru s LYS 3 CO -0.10 -0.30 1.00 -1.14 0.16 0.00 0.00 175.35 174.98 1tru s GLN 4 N 2.60 4.31 -0.33 4.03 0.74 -1.26 -2.98 119.66 126.78 1tru s GLN 4 Ca 0.00 1.32 -0.22 0.00 0.05 0.00 0.00 55.36 56.52 1tru s GLN 4 Cb -0.12 -3.60 -0.00 0.00 1.10 0.00 0.00 33.01 30.38 1tru s GLN 4 CO -0.13 -0.49 0.69 0.42 -0.55 0.00 0.00 175.29 175.23 1tru s ILE 5 N 2.69 4.86 -0.23 -2.34 -1.09 -1.22 -4.91 121.20 118.97 1tru s ILE 5 Ca 0.44 0.88 0.22 0.00 -2.23 0.00 0.00 60.65 59.96 1tru s ILE 5 Cb -0.16 -4.09 -0.01 0.00 -1.58 0.00 0.00 42.46 36.62 1tru s ILE 5 CO 0.11 -0.26 1.03 -0.62 -1.23 0.00 0.00 174.94 173.97 1tru n GLU 6 N 6.09 0.61 -3.47 2.79 1.02 -1.26 -4.61 120.64 121.80 1tru n GLU 6 Ca 0.01 0.13 -0.11 0.00 -0.02 0.00 0.00 57.16 57.17 1tru n GLU 6 Cb 0.48 -1.83 -0.02 0.00 -0.02 0.00 0.00 31.44 30.05 1tru n GLU 6 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1tru s SER 7 N -5.40 -0.52 0.61 1.62 1.04 -1.26 -4.37 113.70 105.41 1tru s SER 7 Ca -0.01 -0.08 0.29 0.00 0.48 0.00 0.00 55.95 56.64 1tru s SER 7 Cb 0.09 0.60 1.56 0.00 0.10 0.00 0.00 66.02 68.37 1tru s SER 7 CO 0.79 -1.00 1.95 0.50 0.98 0.00 0.00 173.24 176.47 1tru h LYS 8 N 2.02 0.00 0.60 4.02 3.64 -1.93 -1.56 116.57 123.37 1tru h LYS 8 Ca -0.33 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 -0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1tru h LYS 8 CO 0.37 0.00 -0.33 1.15 -2.27 0.00 0.00 179.45 178.37 1tru h THR 9 N 0.00 0.32 0.00 1.00 2.02 -2.01 -1.76 112.91 112.48 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 0.90 0.32 -0.00 0.00 -1.74 0.00 0.00 68.15 67.63 1tru h THR 9 CO -0.00 0.00 -0.07 0.00 0.37 0.00 0.00 175.52 175.82 1tru h ALA 10 N -0.50 1.27 0.23 6.16 0.00 -1.70 -2.84 119.26 121.87 1tru h ALA 10 Ca -0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1tru h ALA 10 Cb 0.69 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1tru h ALA 10 CO 0.10 0.09 -0.11 0.35 0.00 0.00 0.00 179.25 179.68 1tru h PHE 11 N 0.00 -0.28 0.02 0.00 3.57 -1.00 0.23 116.94 119.47 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 0.23 0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.07 1tru h PHE 11 CO 0.00 -0.13 -0.01 1.96 -2.23 0.00 0.00 178.31 177.90 1tru h GLN 12 N -0.36 -0.02 -0.20 1.11 1.08 -1.25 -1.80 115.11 113.67 1tru h GLN 12 Ca -0.03 0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.21 1tru h GLN 12 Cb 0.28 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.70 1tru h GLN 12 CO 0.05 0.13 0.14 0.93 -0.95 0.00 0.00 178.83 179.13 1tru h GLU 13 N -0.17 0.10 -0.21 1.46 5.08 -1.45 -0.72 114.58 118.67 1tru h GLU 13 Ca -0.00 -0.01 -0.14 0.00 -1.00 0.00 0.00 59.36 58.21 1tru h GLU 13 Cb 0.16 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 1tru h GLU 13 CO 0.00 0.06 -0.47 0.00 -1.00 0.00 0.00 179.01 177.61 1tru h ALA 14 N 1.89 0.79 -0.14 3.43 0.00 0.06 -0.29 119.26 125.00 1tru h ALA 14 Ca 0.09 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.47 1tru h ALA 14 Cb 0.24 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1tru h ALA 14 CO -0.01 0.66 -0.12 -0.07 0.00 0.00 0.00 179.25 179.71 1tru h LEU 15 N 0.44 0.36 -0.69 0.00 3.38 -0.33 -0.41 115.31 118.06 1tru h LEU 15 Ca 0.03 -0.47 -0.12 0.00 0.09 0.00 0.00 57.88 57.41 1tru h LEU 15 Cb 0.98 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 1tru h LEU 15 CO 0.09 0.75 -0.22 -0.78 0.09 0.00 0.00 178.44 178.37 1tru h ASP 16 N -0.03 0.80 0.63 -0.43 1.82 -1.38 -2.55 116.42 115.28 1tru h ASP 16 Ca 0.02 -0.29 -0.08 0.00 -0.39 0.00 0.00 57.03 56.30 1tru h ASP 16 Cb 0.64 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.42 1tru h ASP 16 CO 0.03 0.99 -0.37 0.00 -1.61 0.00 0.00 179.24 178.29 1tru h ALA 17 N 1.07 1.13 -0.24 -0.78 0.00 -1.00 -2.72 119.26 116.72 1tru h ALA 17 Ca 0.10 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 1tru h ALA 17 Cb 0.73 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1tru h ALA 17 CO 0.06 0.46 0.01 0.00 0.00 0.00 0.00 179.25 179.78 1tru h ALA 18 N 1.63 1.58 0.00 0.00 0.00 -0.63 -3.48 119.26 118.37 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 0.78 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.46 1tru h ALA 18 CO 0.05 0.31 0.00 0.41 0.00 0.00 0.00 179.25 180.02 1tru n GLY 19 N -1.10 0.86 0.54 0.00 0.00 -1.03 -3.41 105.19 101.04 1tru n GLY 19 Ca 0.00 -0.70 0.05 0.00 0.00 0.00 0.00 46.02 45.38 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 6.89 2.84 -4.84 1.61 9.92 -1.26 -3.68 116.55 128.04 1tru n ASP 20 Ca 0.00 -2.13 -0.30 0.00 -0.53 0.00 0.00 54.79 51.83 1tru n ASP 20 Cb 0.00 -0.23 0.07 0.00 -0.64 0.00 0.00 41.12 40.33 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 -1.23 2.35 0.73 -1.24 1.02 -1.22 -4.80 119.74 115.35 1tru s LYS 21 Ca 0.21 0.54 -0.15 0.00 0.02 0.00 0.00 55.97 56.59 1tru s LYS 21 Cb 0.13 -1.96 0.04 0.00 -0.52 0.00 0.00 37.83 35.52 1tru s LYS 21 CO 0.12 -1.41 1.20 -1.17 -0.92 0.00 0.00 175.35 173.16 1tru s LEU 22 N -5.62 3.30 -0.34 3.17 0.20 -1.26 -4.61 118.68 113.53 1tru s LEU 22 Ca 0.60 2.32 0.01 0.00 0.69 0.00 0.00 54.13 57.75 1tru s LEU 22 Cb -0.13 -4.58 0.15 0.00 -0.43 0.00 0.00 46.19 41.19 1tru s LEU 22 CO 0.53 -2.24 0.33 -0.69 -0.29 0.00 0.00 176.35 173.98 1tru s VAL 23 N -2.04 -0.32 -0.27 1.68 1.01 -1.02 -3.26 120.40 116.18 1tru s VAL 23 Ca 0.73 -0.86 -0.11 0.00 0.00 0.00 0.00 61.98 61.74 1tru s VAL 23 Cb -0.28 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 35.22 1tru s VAL 23 CO 0.46 -0.58 0.21 -0.69 0.00 0.00 0.00 175.10 174.50 1tru s VAL 24 N 1.76 5.30 -0.15 2.92 1.01 -1.04 -0.15 120.40 130.06 1tru s VAL 24 Ca 0.14 0.23 -0.10 0.00 0.00 0.00 0.00 61.98 62.24 1tru s VAL 24 Cb -0.15 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.63 1tru s VAL 24 CO -0.15 0.25 0.20 -0.69 0.00 0.00 0.00 175.10 174.72 1tru s VAL 25 N 1.68 5.38 -0.30 2.92 1.01 0.76 -2.39 120.40 129.46 1tru s VAL 25 Ca 0.08 0.35 -0.07 0.00 0.00 0.00 0.00 61.98 62.34 1tru s VAL 25 Cb -0.16 -3.51 0.02 0.00 0.00 0.00 0.00 36.38 32.73 1tru s VAL 25 CO 0.10 0.50 0.09 -0.62 0.00 0.00 0.00 175.10 175.16 1tru s ASP 26 N -0.20 5.16 -0.51 3.32 2.15 -0.71 -0.94 116.67 124.94 1tru s ASP 26 Ca 0.14 -0.79 -0.16 0.00 0.43 0.00 0.00 52.55 52.17 1tru s ASP 26 Cb -0.12 -1.88 0.10 0.00 -0.30 0.00 0.00 42.92 40.72 1tru s ASP 26 CO 0.03 -0.22 0.46 -0.36 -0.17 0.00 0.00 175.17 174.91 1tru s PHE 27 N 1.48 3.24 0.20 -5.34 0.08 -0.03 -2.79 117.98 114.82 1tru s PHE 27 Ca 0.02 -1.12 -0.03 0.00 0.12 0.00 0.00 56.93 55.92 1tru s PHE 27 Cb -0.18 -3.51 -0.03 0.00 -0.57 0.00 0.00 43.02 38.73 1tru s PHE 27 CO 0.02 -0.92 0.19 -1.12 -0.10 0.00 0.00 175.22 173.29 1tru s SER 28 N 3.14 0.12 -0.57 1.36 0.01 -1.22 -1.72 113.70 114.82 1tru s SER 28 Ca 0.04 -1.26 -0.18 0.00 1.31 0.00 0.00 55.95 55.86 1tru s SER 28 Cb -0.27 0.41 0.12 0.00 0.21 0.00 0.00 66.02 66.48 1tru s SER 28 CO 0.05 -0.88 0.61 0.00 0.41 0.00 0.00 173.24 173.42 1tru s ALA 29 N -4.11 3.52 0.55 1.44 0.00 -1.26 -3.14 121.76 118.76 1tru s ALA 29 Ca 0.33 -2.38 0.26 0.00 0.00 0.00 0.00 51.96 50.18 1tru s ALA 29 Cb 0.06 -3.41 1.47 0.00 0.00 0.00 0.00 23.12 21.24 1tru s ALA 29 CO 0.10 -2.20 2.03 0.00 0.00 0.00 0.00 175.76 175.69 1tru h THR 30 N 5.91 0.63 -0.05 0.00 1.03 -1.95 0.35 112.91 118.83 1tru h THR 30 Ca -0.30 0.00 -0.25 0.00 -0.01 0.00 0.00 66.41 65.85 1tru h THR 30 Cb 1.09 0.78 0.02 0.00 -1.07 0.00 0.00 68.15 68.97 1tru h THR 30 CO 1.07 0.00 -0.96 4.11 -0.01 0.00 0.00 175.52 179.74 1tru h TRP 31 N 0.00 1.02 -2.82 0.00 5.08 -2.01 -3.45 115.95 113.78 1tru h TRP 31 Ca 0.17 -0.52 -0.47 0.00 1.08 0.00 0.00 58.89 59.15 1tru h TRP 31 Cb 0.78 -0.13 0.23 0.00 -3.00 0.00 0.00 29.16 27.04 1tru h TRP 31 CO 0.00 1.36 -0.72 0.00 -1.28 0.00 0.00 178.44 177.80 1tru n GLY 33 N 1.64 -0.40 0.36 0.00 0.00 -1.26 -3.84 105.19 101.68 1tru n GLY 33 Ca 0.03 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.21 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 0.06 1.61 0.11 -1.95 0.07 132.00 131.90 1tru h PRO 34 Ca 0.00 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.98 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 -0.61 0.00 -0.21 0.00 0.00 178.00 177.18 1tru h LYS 36 N -0.69 0.00 0.00 0.00 3.64 -1.14 -2.31 116.57 116.07 1tru h LYS 36 Ca -0.13 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 1tru h LYS 36 Cb 1.35 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.17 1tru h LYS 36 CO 0.03 0.00 0.00 -1.33 -2.27 0.00 0.00 179.45 175.88 1tru n MET 37 N -2.41 0.15 -0.62 1.90 2.81 -0.47 -1.99 117.12 116.49 1tru n MET 37 Ca 0.01 0.42 0.08 0.00 -1.81 0.00 0.00 57.70 56.40 1tru n MET 37 Cb 0.18 -1.81 0.34 0.00 -0.71 0.00 0.00 33.22 31.22 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 -2.09 1.82 0.08 2.02 5.41 -0.87 -4.30 119.36 121.44 1tru n ILE 38 Ca 0.02 -1.11 0.03 0.00 1.00 0.00 0.00 62.75 62.69 1tru n ILE 38 Cb 0.19 0.02 -0.03 0.00 -0.71 0.00 0.00 39.64 39.11 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 3.75 0.00 0.00 0.38 2.10 -1.60 -3.19 116.57 118.02 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 1.44 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.77 1tru h LYS 39 CO 0.26 0.27 0.00 -0.35 -2.00 0.00 0.00 179.45 177.63 1tru n PRO 40 N -2.95 0.74 0.00 0.07 -0.04 -1.26 -2.55 135.00 129.01 1tru n PRO 40 Ca -0.04 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1tru n PRO 40 Cb 0.74 -1.22 -0.00 0.00 -0.04 0.00 0.00 33.50 32.98 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 -0.72 0.00 0.33 0.54 3.72 -1.23 -4.34 117.46 115.76 1tru n PHE 41 Ca 0.08 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.35 1tru n PHE 41 Cb 0.04 -0.03 -0.06 0.00 -0.94 0.00 0.00 39.48 38.49 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 -0.05 -0.78 0.00 1.38 3.57 -1.66 -2.17 116.94 117.23 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 0.05 0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.05 1tru h PHE 42 CO -0.02 -0.48 0.00 1.58 -2.23 0.00 0.00 178.31 177.16 1tru n HIS 43 N -4.30 0.00 0.01 0.41 -0.00 -1.06 -2.10 115.22 108.18 1tru n HIS 43 Ca -0.10 0.00 -0.04 0.00 0.46 0.00 0.00 57.72 58.03 1tru n HIS 43 Cb 0.33 -0.05 -0.11 0.00 -0.12 0.00 0.00 29.99 30.04 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 -1.05 0.88 0.01 0.26 2.88 -0.84 -3.79 113.62 111.97 1tru n SER 44 Ca 0.07 0.40 0.01 0.00 -1.33 0.00 0.00 58.87 58.02 1tru n SER 44 Cb 0.04 0.03 0.05 0.00 -0.75 0.00 0.00 64.21 63.58 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 -2.97 0.05 0.00 2.46 4.77 -0.89 -1.72 117.00 118.70 1tru n LEU 45 Ca -0.13 0.52 0.09 0.00 -0.03 0.00 0.00 56.01 56.45 1tru n LEU 45 Cb 0.94 -0.52 0.50 0.00 -2.33 0.00 0.00 43.42 42.01 1tru n LEU 45 CO 0.44 -0.53 1.16 0.28 -1.33 0.00 0.00 177.39 177.41 1tru h SER 46 N 0.00 0.34 0.82 -1.43 0.02 -1.76 0.41 113.55 111.95 1tru h SER 46 Ca 0.00 -0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.79 1tru h SER 46 Cb 0.01 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 1tru h SER 46 CO 0.00 0.23 -1.27 -0.33 -1.14 0.00 0.00 176.83 174.31 1tru h GLU 47 N 0.39 0.00 0.00 3.45 4.39 -1.63 -3.37 114.58 117.82 1tru h GLU 47 Ca 0.19 0.00 -0.07 0.00 0.34 0.00 0.00 59.36 59.81 1tru h GLU 47 Cb 0.24 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 1tru h GLU 47 CO -0.04 0.31 -0.45 -0.22 -1.16 0.00 0.00 179.01 177.45 1tru h LYS 48 N 0.00 0.00 -3.75 2.33 3.64 -1.39 -3.42 116.57 113.98 1tru h LYS 48 Ca -0.13 0.00 -0.73 0.00 -1.27 0.00 0.00 60.65 58.52 1tru h LYS 48 Cb 1.54 0.00 -0.32 0.00 -0.41 0.00 0.00 32.23 33.04 1tru h LYS 48 CO 0.05 0.75 -0.24 0.71 -2.27 0.00 0.00 179.45 178.45 1tru s TYR 49 N -2.17 3.52 -1.22 1.91 1.51 0.13 -4.90 117.35 116.14 1tru s TYR 49 Ca -0.19 -2.42 0.18 0.00 -1.01 0.00 0.00 57.07 53.63 1tru s TYR 49 Cb 0.01 -3.41 0.84 0.00 -0.11 0.00 0.00 41.96 39.28 1tru s TYR 49 CO 0.51 -0.90 1.56 -1.13 -1.11 0.00 0.00 175.55 174.47 1tru n SER 50 N 3.79 0.00 -2.19 2.29 3.41 -1.26 -2.85 113.62 116.81 1tru n SER 50 Ca 0.08 0.26 -0.21 0.00 -0.26 0.00 0.00 58.87 58.73 1tru n SER 50 Cb 0.41 -0.39 0.20 0.00 -0.26 0.00 0.00 64.21 64.17 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 -1.39 3.90 -4.03 4.04 5.15 -1.26 -4.48 115.26 117.19 1tru n ASN 51 Ca 0.06 -3.56 -0.20 0.00 -0.60 0.00 0.00 54.58 50.28 1tru n ASN 51 Cb 0.17 -0.83 -0.15 0.00 -0.53 0.00 0.00 39.78 38.45 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 -3.26 0.85 -0.34 3.44 1.01 -1.13 -4.69 120.40 116.28 1tru s VAL 52 Ca 0.57 -0.42 -0.13 0.00 0.00 0.00 0.00 61.98 61.99 1tru s VAL 52 Cb 0.47 -0.73 -0.01 0.00 0.00 0.00 0.00 36.38 36.11 1tru s VAL 52 CO 0.11 0.25 0.27 -0.63 0.00 0.00 0.00 175.10 175.10 1tru s ILE 53 N 0.00 5.26 -0.18 2.22 -1.09 -1.20 -3.86 121.20 122.35 1tru s ILE 53 Ca -0.00 -0.19 -0.05 0.00 -2.23 0.00 0.00 60.65 58.18 1tru s ILE 53 Cb -0.07 -3.75 -0.03 0.00 -1.58 0.00 0.00 42.46 37.04 1tru s ILE 53 CO 0.00 -0.04 -0.01 -0.36 -1.23 0.00 0.00 174.94 173.30 1tru s PHE 54 N 1.78 3.04 -0.13 3.97 0.08 -1.20 -2.49 117.98 123.03 1tru s PHE 54 Ca 0.07 -0.39 -0.04 0.00 0.12 0.00 0.00 56.93 56.69 1tru s PHE 54 Cb -0.17 -2.04 -0.03 0.00 -0.57 0.00 0.00 43.02 40.20 1tru s PHE 54 CO 0.11 -0.16 0.01 -0.51 -0.10 0.00 0.00 175.22 174.57 1tru s LEU 55 N 0.76 3.60 -0.37 -0.37 1.02 -1.01 -2.90 118.68 119.43 1tru s LEU 55 Ca -0.00 0.08 -0.03 0.00 0.02 0.00 0.00 54.13 54.19 1tru s LEU 55 Cb -0.14 -1.86 0.08 0.00 0.02 0.00 0.00 46.19 44.29 1tru s LEU 55 CO 0.02 0.28 0.13 -0.70 0.02 0.00 0.00 176.35 176.10 1tru s GLU 56 N -0.26 2.23 -0.16 1.70 2.12 -1.16 -1.74 118.70 121.43 1tru s GLU 56 Ca 0.06 -1.56 -0.06 0.00 0.36 0.00 0.00 54.97 53.77 1tru s GLU 56 Cb -0.12 -3.45 -0.04 0.00 0.26 0.00 0.00 34.13 30.78 1tru s GLU 56 CO 0.02 -0.88 0.04 0.08 -0.54 0.00 0.00 175.26 173.98 1tru s VAL 57 N 1.22 4.59 -0.32 3.70 1.01 -1.12 -3.43 120.40 126.06 1tru s VAL 57 Ca 0.03 -0.11 -0.14 0.00 0.00 0.00 0.00 61.98 61.76 1tru s VAL 57 Cb -0.21 -3.04 -0.02 0.00 0.00 0.00 0.00 36.38 33.10 1tru s VAL 57 CO -0.02 0.49 0.31 -0.62 0.00 0.00 0.00 175.10 175.26 1tru s ASP 58 N 0.15 6.14 0.00 3.32 2.15 -1.26 -3.42 116.67 123.75 1tru s ASP 58 Ca 0.03 -0.13 0.03 0.00 0.43 0.00 0.00 52.55 52.91 1tru s ASP 58 Cb -0.13 -2.18 0.15 0.00 -0.30 0.00 0.00 42.92 40.47 1tru s ASP 58 CO 0.01 -0.24 0.48 1.33 -0.17 0.00 0.00 175.17 176.58 1tru n VAL 59 N 5.16 0.00 -0.07 1.11 0.24 -1.19 -0.82 118.33 122.77 1tru n VAL 59 Ca -0.10 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.10 1tru n VAL 59 Cb 0.50 -0.71 -0.07 0.00 -1.47 0.00 0.00 33.84 32.09 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 -0.78 2.89 0.00 -1.34 9.92 -1.26 -4.12 116.55 121.86 1tru n ASP 60 Ca 0.02 -0.07 -0.21 0.00 -0.53 0.00 0.00 54.79 54.00 1tru n ASP 60 Cb 0.01 -0.16 -0.14 0.00 -0.64 0.00 0.00 41.12 40.19 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 -1.73 -2.24 3.58 -1.78 -3.36 116.42 111.26 1tru h ASP 61 Ca -0.31 -0.85 -0.72 0.00 0.42 0.00 0.00 57.03 55.57 1tru h ASP 61 Cb 1.49 -0.12 -0.30 0.00 1.72 0.00 0.00 39.33 42.12 1tru h ASP 61 CO -0.04 1.61 0.69 0.00 -2.88 0.00 0.00 179.24 178.61 1tru n ALA 62 N -2.97 6.22 0.07 -0.78 0.00 0.00 -4.71 120.51 118.34 1tru n ALA 62 Ca -0.25 -4.04 0.04 0.00 0.00 0.00 0.00 53.44 49.19 1tru n ALA 62 Cb 0.89 -1.67 0.24 0.00 0.00 0.00 0.00 19.45 18.90 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 -0.59 0.06 -0.03 0.00 10.64 -1.26 -0.94 117.38 125.25 1tru n GLN 63 Ca 0.53 0.52 -0.17 0.00 -1.83 0.00 0.00 57.00 56.04 1tru n GLN 63 Cb 0.39 -1.76 -0.07 0.00 -0.86 0.00 0.00 30.24 27.94 1tru n GLN 63 CO 0.00 0.00 0.00 0.38 -1.83 0.00 0.00 177.06 175.61 1tru h ASP 64 N 0.00 0.91 0.95 2.61 2.03 -1.92 -2.86 116.42 118.14 1tru h ASP 64 Ca 0.00 -0.62 -0.12 0.00 -0.73 0.00 0.00 57.03 55.56 1tru h ASP 64 Cb 0.15 -0.27 -0.02 0.00 -0.83 0.00 0.00 39.33 38.37 1tru h ASP 64 CO 0.00 1.38 -0.56 0.58 -1.03 0.00 0.00 179.24 179.61 1tru h VAL 65 N 0.49 1.14 -0.44 4.15 2.07 -1.43 -3.00 116.25 119.23 1tru h VAL 65 Ca -0.04 -2.11 -0.10 0.00 0.82 0.00 0.00 66.70 65.27 1tru h VAL 65 Cb 1.35 2.23 -0.02 0.00 -1.52 0.00 0.00 31.29 33.33 1tru h VAL 65 CO 0.15 0.55 -0.13 0.00 0.02 0.00 0.00 177.57 178.16 1tru h ALA 66 N 1.44 0.93 0.01 1.67 0.00 -1.44 0.93 119.26 122.81 1tru h ALA 66 Ca -0.01 -0.33 -0.00 0.00 0.00 0.00 0.00 54.91 54.57 1tru h ALA 66 Cb 1.18 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1tru h ALA 66 CO 0.07 0.62 -0.00 1.03 0.00 0.00 0.00 179.25 180.97 1tru h SER 67 N 0.73 -0.01 -0.82 0.00 0.87 -1.45 -1.04 113.55 111.83 1tru h SER 67 Ca 0.12 -0.48 -0.03 0.00 -1.23 0.00 0.00 61.79 60.17 1tru h SER 67 Cb 0.63 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.56 1tru h SER 67 CO 0.04 0.47 0.39 -0.08 -0.53 0.00 0.00 176.83 177.13 1tru h GLU 68 N -0.50 1.18 0.00 2.24 4.57 -1.48 -0.47 114.58 120.12 1tru h GLU 68 Ca -0.00 -0.18 0.00 0.00 -1.18 0.00 0.00 59.36 58.00 1tru h GLU 68 Cb 0.49 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 1tru h GLU 68 CO 0.00 0.92 0.00 0.00 -1.18 0.00 0.00 179.01 178.75 1tru n ALA 69 N -2.41 2.07 -3.65 2.92 0.00 0.32 -4.88 120.51 114.88 1tru n ALA 69 Ca 0.08 -0.09 -0.21 0.00 0.00 0.00 0.00 53.44 53.21 1tru n ALA 69 Cb 0.14 -1.35 0.05 0.00 0.00 0.00 0.00 19.45 18.30 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 -1.34 -5.62 -2.80 0.00 2.13 -0.19 -4.89 120.64 107.93 1tru n GLU 70 Ca 0.09 0.69 -0.43 0.00 0.66 0.00 0.00 57.16 58.17 1tru n GLU 70 Cb 0.19 -5.44 -0.04 0.00 0.27 0.00 0.00 31.44 26.42 1tru n GLU 70 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1tru s VAL 71 N -3.53 4.31 -0.05 6.31 1.01 -0.51 -4.80 120.40 123.13 1tru s VAL 71 Ca 0.11 0.29 0.02 0.00 0.00 0.00 0.00 61.98 62.40 1tru s VAL 71 Cb -0.05 -4.60 0.04 0.00 0.00 0.00 0.00 36.38 31.77 1tru s VAL 71 CO 0.79 -1.21 1.03 0.29 0.00 0.00 0.00 175.10 175.99 1tru n LYS 72 N 7.70 2.83 -3.31 2.72 4.76 -1.26 -4.89 118.16 126.71 1tru n LYS 72 Ca 0.02 -1.63 -0.10 0.00 -2.87 0.00 0.00 58.31 53.73 1tru n LYS 72 Cb 0.47 -1.06 -0.06 0.00 -1.84 0.00 0.00 35.03 32.55 1tru n LYS 72 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1tru s ALA 73 N -1.18 -1.11 0.22 7.82 0.00 -1.26 -5.15 121.76 121.10 1tru s ALA 73 Ca 0.04 -0.32 -0.02 0.00 0.00 0.00 0.00 51.96 51.67 1tru s ALA 73 Cb 0.03 -2.21 -0.05 0.00 0.00 0.00 0.00 23.12 20.90 1tru s ALA 73 CO 0.01 -2.03 0.43 0.95 0.00 0.00 0.00 175.76 175.12 1tru s THR 74 N 1.90 5.16 0.51 0.00 -4.23 -1.26 -4.08 115.64 113.64 1tru s THR 74 Ca 0.14 -0.25 -0.18 0.00 -1.18 0.00 0.00 61.69 60.22 1tru s THR 74 Cb -0.12 -3.73 -0.08 0.00 1.34 0.00 0.00 72.50 69.92 1tru s THR 74 CO -0.13 -0.19 1.01 -2.16 -0.54 0.00 0.00 174.62 172.60 1tru s PRO 75 N -3.34 3.82 -0.04 3.99 0.04 -1.26 -5.00 135.00 133.21 1tru s PRO 75 Ca 0.40 1.15 -0.01 0.00 0.04 0.00 0.00 61.00 62.58 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 -0.39 0.04 0.99 0.04 0.00 0.00 177.00 177.97 1tru s THR 76 N -2.33 0.01 -0.20 1.26 2.01 -0.70 -3.45 115.64 112.25 1tru s THR 76 Ca 0.63 0.31 -0.08 0.00 0.31 0.00 0.00 61.69 62.86 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 0.26 0.18 0.07 -0.36 -0.69 0.00 0.00 174.62 174.08 1tru s PHE 77 N 1.86 3.22 0.01 4.92 0.40 -1.09 -0.85 117.98 126.44 1tru s PHE 77 Ca 0.02 -0.01 0.06 0.00 -0.60 0.00 0.00 56.93 56.40 1tru s PHE 77 Cb -0.12 -2.12 -0.03 0.00 0.51 0.00 0.00 43.02 41.26 1tru s PHE 77 CO -0.03 0.04 -0.19 -0.65 0.70 0.00 0.00 175.22 175.10 1tru s GLN 78 N 0.67 2.18 -0.20 0.44 -0.21 -0.11 -1.94 119.66 120.50 1tru s GLN 78 Ca 0.04 -0.90 -0.06 0.00 0.02 0.00 0.00 55.36 54.46 1tru s GLN 78 Cb -0.13 -2.21 -0.03 0.00 1.00 0.00 0.00 33.01 31.64 1tru s GLN 78 CO 0.02 0.57 0.03 -0.06 -2.12 0.00 0.00 175.29 173.72 1tru s PHE 79 N -0.81 3.12 0.20 0.91 0.40 0.99 -0.17 117.98 122.62 1tru s PHE 79 Ca 0.13 -0.23 0.08 0.00 -0.60 0.00 0.00 56.93 56.31 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 0.03 -0.09 -0.16 -0.06 0.70 0.00 0.00 175.22 175.64 1tru s PHE 80 N 0.80 1.79 -0.19 0.36 0.08 0.79 -1.55 117.98 120.07 1tru s PHE 80 Ca 0.02 -0.52 -0.13 0.00 0.12 0.00 0.00 56.93 56.42 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 0.39 0.48 0.21 -0.10 0.00 0.00 175.22 176.22 1tru s LYS 81 N -3.42 0.50 -0.62 0.44 2.47 -0.23 -2.42 119.74 116.46 1tru s LYS 81 Ca 0.22 0.83 0.00 0.00 -1.56 0.00 0.00 55.97 55.46 1tru s LYS 81 Cb -0.02 0.10 0.00 0.00 -1.46 0.00 0.00 37.83 36.44 1tru s LYS 81 CO 0.08 -0.13 0.00 1.63 0.16 0.00 0.00 175.35 177.09 1tru n LYS 82 N 3.82 -1.66 -1.15 4.03 5.02 -1.24 0.86 118.16 127.85 1tru n LYS 82 Ca -0.20 0.50 0.00 0.00 -2.02 0.00 0.00 58.31 56.59 1tru n LYS 82 Cb 0.56 -4.44 0.00 0.00 -0.02 0.00 0.00 35.03 31.14 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 0.20 1.02 2.96 0.72 0.00 -1.26 -4.92 105.19 103.91 1tru n GLY 83 Ca -0.06 -0.53 -0.21 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.69 1.08 0.01 1.61 -0.21 0.25 -5.10 119.66 114.61 1tru s GLN 84 Ca 0.00 -0.25 -0.30 0.00 0.02 0.00 0.00 55.36 54.83 1tru s GLN 84 Cb 0.00 -0.99 -0.07 0.00 1.00 0.00 0.00 33.01 32.96 1tru s GLN 84 CO 0.00 0.01 1.62 0.21 -2.12 0.00 0.00 175.29 175.01 1tru s LYS 85 N 0.60 4.20 -0.11 2.91 2.20 -1.26 -1.06 119.74 127.22 1tru s LYS 85 Ca -0.10 2.22 0.10 0.00 -0.36 0.00 0.00 55.97 57.83 1tru s LYS 85 Cb -0.13 -3.77 -0.14 0.00 -1.51 0.00 0.00 37.83 32.29 1tru s LYS 85 CO 0.01 -0.76 0.04 1.33 -0.36 0.00 0.00 175.35 175.61 1tru n VAL 86 N 5.04 0.76 -3.72 4.02 0.24 -0.60 -4.94 118.33 119.13 1tru n VAL 86 Ca 0.16 -0.47 -0.04 0.00 -2.04 0.00 0.00 64.34 61.96 1tru n VAL 86 Cb 0.42 -0.71 -0.01 0.00 -1.47 0.00 0.00 33.84 32.07 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 -4.38 -0.27 -0.12 7.63 0.00 -1.18 -5.03 107.32 103.98 1tru s GLY 87 Ca -0.06 0.25 -0.31 0.00 0.00 0.00 0.00 44.72 44.60 1tru s GLY 87 CO 0.45 0.04 1.04 -1.83 0.00 0.00 0.00 173.10 172.80 1tru s GLU 88 N -3.21 0.56 -0.28 2.90 -1.05 -1.26 -0.01 118.70 116.35 1tru s GLU 88 Ca 0.12 -0.10 -0.22 0.00 -0.15 0.00 0.00 54.97 54.62 1tru s GLU 88 Cb -0.01 0.26 0.12 0.00 -0.44 0.00 0.00 34.13 34.06 1tru s GLU 88 CO 0.01 -0.22 0.94 -0.59 0.95 0.00 0.00 175.26 176.35 1tru s PHE 89 N -2.19 -0.60 -0.14 4.83 -0.12 -0.82 -4.99 117.98 113.95 1tru s PHE 89 Ca 0.04 1.35 -0.04 0.00 -0.05 0.00 0.00 56.93 58.23 1tru s PHE 89 Cb -0.01 0.38 -0.03 0.00 -0.63 0.00 0.00 43.02 42.72 1tru s PHE 89 CO -0.05 -0.29 0.01 -1.54 -0.05 0.00 0.00 175.22 173.30 1tru s SER 90 N 0.68 5.19 0.00 1.98 1.04 -1.26 -2.68 113.70 118.65 1tru s SER 90 Ca -0.02 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.43 1tru s SER 90 Cb -0.05 -1.75 0.00 0.00 0.10 0.00 0.00 66.02 64.32 1tru s SER 90 CO -0.09 0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.97 1tru n GLY 91 N 3.11 3.95 2.16 7.32 0.00 -1.22 -4.98 105.19 115.52 1tru n GLY 91 Ca -0.17 -0.51 -0.25 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 -1.17 6.94 -3.48 4.61 0.00 -1.26 -4.76 120.51 121.39 1tru n ALA 92 Ca 0.00 -2.67 -0.42 0.00 0.00 0.00 0.00 53.44 50.35 1tru n ALA 92 Cb 0.00 -2.81 -0.04 0.00 0.00 0.00 0.00 19.45 16.60 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 2.02 6.38 0.49 0.00 3.04 -1.26 -4.88 114.94 120.73 1tru s ASN 93 Ca 0.68 -3.16 0.13 0.00 0.04 0.00 0.00 52.86 50.56 1tru s ASN 93 Cb 0.25 -2.07 1.14 0.00 -1.54 0.00 0.00 41.25 39.04 1tru s ASN 93 CO -0.03 -0.38 2.12 0.07 -3.04 0.00 0.00 177.10 175.84 1tru h LYS 94 N 6.98 0.15 0.00 0.43 -0.00 -1.99 -0.47 116.57 121.66 1tru h LYS 94 Ca 0.11 -0.01 -0.06 0.00 -0.00 0.00 0.00 60.65 60.69 1tru h LYS 94 Cb 0.93 -0.03 -0.01 0.00 -0.00 0.00 0.00 32.23 33.12 1tru h LYS 94 CO 0.82 0.11 -0.30 0.93 -0.00 0.00 0.00 179.45 181.01 1tru h GLU 95 N 0.15 0.00 -0.33 0.07 5.08 -1.99 -2.97 114.58 114.59 1tru h GLU 95 Ca 0.04 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.32 1tru h GLU 95 Cb -0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1tru h GLU 95 CO -0.01 0.30 -0.12 -0.22 -1.00 0.00 0.00 179.01 177.96 1tru h LYS 96 N 0.00 0.67 -0.99 2.33 3.64 -1.49 -2.82 116.57 117.91 1tru h LYS 96 Ca -0.00 -0.28 0.24 0.00 -1.27 0.00 0.00 60.65 59.34 1tru h LYS 96 Cb 0.64 -0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.35 1tru h LYS 96 CO 0.04 0.86 0.64 -0.07 -2.27 0.00 0.00 179.45 178.66 1tru h LEU 97 N 0.45 0.46 0.49 5.20 3.38 -1.48 0.17 115.31 123.98 1tru h LEU 97 Ca 0.08 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1tru h LEU 97 Cb 0.64 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1tru h LEU 97 CO 0.04 0.13 -0.24 -0.08 0.09 0.00 0.00 178.44 178.39 1tru h GLU 98 N 0.43 -0.63 -0.89 1.13 4.81 -1.58 0.25 114.58 118.10 1tru h GLU 98 Ca 0.55 0.04 0.13 0.00 -0.13 0.00 0.00 59.36 59.95 1tru h GLU 98 Cb 1.34 0.14 -0.07 0.00 0.63 0.00 0.00 28.75 30.80 1tru h GLU 98 CO -0.26 -0.42 0.57 0.00 -0.73 0.00 0.00 179.01 178.17 1tru h ALA 99 N -1.45 1.77 0.02 2.92 0.00 -1.35 0.09 119.26 121.26 1tru h ALA 99 Ca -0.07 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1tru h ALA 99 Cb 0.50 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.15 1tru h ALA 99 CO 0.11 0.01 -0.01 1.15 0.00 0.00 0.00 179.25 180.51 1tru h THR 100 N 0.75 1.37 -0.95 0.00 2.02 -0.65 -2.64 112.91 112.81 1tru h THR 100 Ca 0.44 -1.27 0.07 0.00 0.77 0.00 0.00 66.41 66.41 1tru h THR 100 Cb 0.62 2.21 -0.07 0.00 -1.74 0.00 0.00 68.15 69.17 1tru h THR 100 CO -0.20 0.32 0.61 0.40 0.37 0.00 0.00 175.52 177.02 1tru h ILE 101 N -0.59 1.07 0.00 3.11 2.04 0.05 0.48 117.51 123.66 1tru h ILE 101 Ca -0.00 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.48 1tru h ILE 101 Cb 0.55 -0.13 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 -4.55 0.00 -0.06 1.72 5.15 -0.03 -2.06 115.26 115.43 1tru n ASN 102 Ca 0.14 -0.42 -0.06 0.00 -0.60 0.00 0.00 54.58 53.64 1tru n ASN 102 Cb 0.19 -0.11 -0.05 0.00 -0.53 0.00 0.00 39.78 39.28 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 -0.61 1.20 4.81 0.35 -3.35 114.58 116.98 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 0.07 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.45 1tru h GLU 103 CO 0.00 0.41 0.00 1.28 -0.73 0.00 0.00 179.01 179.97 1tru n LEU 104 N -4.69 5.35 0.00 1.64 4.77 -1.18 -5.12 117.00 117.77 1tru n LEU 104 Ca -0.06 -2.71 0.06 0.00 -0.03 0.00 0.00 56.01 53.26 1tru n LEU 104 Cb 0.23 -0.66 0.33 0.00 -2.33 0.00 0.00 43.42 40.98 1tru n LEU 104 CO 0.14 0.62 0.55 0.55 -1.33 0.00 0.00 177.39 177.92