#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 0.12 -0.19 2.03 1.01 -1.26 -3.31 120.40 118.79 1tru s VAL 2 Ca 0.00 -1.50 -0.06 0.00 0.00 0.00 0.00 61.98 60.42 1tru s VAL 2 Cb 0.00 -1.70 0.09 0.00 0.00 0.00 0.00 36.38 34.78 1tru s VAL 2 CO 0.00 -0.53 0.38 -0.75 0.00 0.00 0.00 175.10 174.20 1tru s LYS 3 N -3.95 0.29 -0.18 2.72 2.20 -1.05 -4.98 119.74 114.79 1tru s LYS 3 Ca 0.14 0.88 -0.29 0.00 -0.36 0.00 0.00 55.97 56.34 1tru s LYS 3 Cb 0.05 0.09 -0.00 0.00 -1.51 0.00 0.00 37.83 36.47 1tru s LYS 3 CO -0.04 -0.34 1.00 -1.14 -0.36 0.00 0.00 175.35 174.47 1tru s GLN 4 N 2.56 4.32 -0.52 4.03 0.74 -1.26 -2.64 119.66 126.90 1tru s GLN 4 Ca 0.02 1.33 -0.23 0.00 0.05 0.00 0.00 55.36 56.53 1tru s GLN 4 Cb -0.13 -3.60 0.04 0.00 1.10 0.00 0.00 33.01 30.43 1tru s GLN 4 CO -0.13 -0.48 0.83 0.42 -0.55 0.00 0.00 175.29 175.38 1tru s ILE 5 N 2.66 4.56 -0.43 -2.34 -1.09 -1.13 -4.87 121.20 118.56 1tru s ILE 5 Ca 0.45 0.14 0.23 0.00 -2.23 0.00 0.00 60.65 59.24 1tru s ILE 5 Cb -0.16 -4.43 0.01 0.00 -1.58 0.00 0.00 42.46 36.29 1tru s ILE 5 CO 0.11 -0.95 1.14 -0.33 -1.23 0.00 0.00 174.94 173.69 1tru h GLU 6 N 9.16 0.00 -3.03 2.79 4.39 -1.94 -3.42 114.58 122.53 1tru h GLU 6 Ca -0.26 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.42 1tru h GLU 6 Cb 1.08 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.61 1tru h GLU 6 CO 1.03 0.00 0.18 -1.54 -1.16 0.00 0.00 179.01 177.52 1tru s SER 7 N -4.78 -0.54 0.62 1.42 1.04 -1.26 -4.41 113.70 105.79 1tru s SER 7 Ca 0.02 -0.02 0.29 0.00 0.48 0.00 0.00 55.95 56.72 1tru s SER 7 Cb 0.11 0.59 1.56 0.00 0.10 0.00 0.00 66.02 68.39 1tru s SER 7 CO 0.77 -0.96 1.94 0.50 0.98 0.00 0.00 173.24 176.47 1tru h LYS 8 N 2.04 0.00 0.77 4.02 3.64 -1.92 -1.68 116.57 123.43 1tru h LYS 8 Ca -0.34 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.00 1tru h LYS 8 Cb 1.30 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.13 1tru h LYS 8 CO 0.39 0.00 -0.37 1.15 -2.27 0.00 0.00 179.45 178.35 1tru h THR 9 N 0.00 0.24 0.00 1.00 2.02 -2.00 -2.24 112.91 111.93 1tru h THR 9 Ca 0.11 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.26 1tru h THR 9 Cb 0.88 0.24 -0.00 0.00 -1.74 0.00 0.00 68.15 67.53 1tru h THR 9 CO -0.00 0.00 -0.04 0.00 0.37 0.00 0.00 175.52 175.85 1tru h ALA 10 N -0.82 1.14 0.75 6.16 0.00 -1.72 -3.00 119.26 121.77 1tru h ALA 10 Ca -0.11 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1tru h ALA 10 Cb 0.79 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.59 1tru h ALA 10 CO 0.17 0.05 -0.36 0.35 0.00 0.00 0.00 179.25 179.46 1tru h PHE 11 N 0.00 -0.93 -0.34 0.00 3.57 -1.08 0.29 116.94 118.45 1tru h PHE 11 Ca -0.00 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 1tru h PHE 11 Cb 0.22 0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 1tru h PHE 11 CO 0.00 -0.57 0.17 1.96 -2.23 0.00 0.00 178.31 177.65 1tru h GLN 12 N -1.06 0.48 -0.16 1.11 4.20 -1.42 -2.16 115.11 116.10 1tru h GLN 12 Ca -0.10 -0.06 0.02 0.00 0.06 0.00 0.00 58.65 58.56 1tru h GLN 12 Cb 0.78 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 1tru h GLN 12 CO 0.17 0.42 0.11 0.93 -0.67 0.00 0.00 178.83 179.79 1tru h GLU 13 N 0.41 0.13 -0.28 1.46 5.08 -1.49 -1.68 114.58 118.21 1tru h GLU 13 Ca 0.12 -0.01 -0.16 0.00 -1.00 0.00 0.00 59.36 58.31 1tru h GLU 13 Cb 0.09 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1tru h GLU 13 CO -0.02 0.09 -0.45 0.00 -1.00 0.00 0.00 179.01 177.63 1tru h ALA 14 N 1.91 0.67 -0.11 3.43 0.00 -0.29 -0.36 119.26 124.50 1tru h ALA 14 Ca 0.07 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.47 1tru h ALA 14 Cb 0.10 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1tru h ALA 14 CO -0.01 0.67 -0.08 -0.07 0.00 0.00 0.00 179.25 179.76 1tru h LEU 15 N 0.59 0.27 -1.07 0.00 3.38 -0.97 -1.58 115.31 115.93 1tru h LEU 15 Ca 0.04 -0.44 -0.09 0.00 0.09 0.00 0.00 57.88 57.47 1tru h LEU 15 Cb 1.01 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.67 1tru h LEU 15 CO 0.10 0.65 -0.37 -0.78 0.09 0.00 0.00 178.44 178.13 1tru h ASP 16 N -0.12 0.18 0.29 -0.43 3.58 -1.44 -2.66 116.42 115.83 1tru h ASP 16 Ca 0.02 -0.07 -0.12 0.00 0.42 0.00 0.00 57.03 57.28 1tru h ASP 16 Cb 0.56 -0.05 -0.01 0.00 1.72 0.00 0.00 39.33 41.55 1tru h ASP 16 CO 0.02 0.54 -0.49 0.00 -2.88 0.00 0.00 179.24 176.43 1tru h ALA 17 N 1.47 1.00 -0.60 -0.78 0.00 -0.95 -2.93 119.26 116.47 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 0.73 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1tru h ALA 17 CO 0.05 0.65 0.25 0.00 0.00 0.00 0.00 179.25 180.20 1tru h ALA 18 N 1.30 1.30 0.00 0.00 0.00 -0.92 -3.48 119.26 117.47 1tru h ALA 18 Ca 0.01 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1tru h ALA 18 Cb 0.94 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1tru h ALA 18 CO 0.08 0.52 0.00 0.41 0.00 0.00 0.00 179.25 180.26 1tru n GLY 19 N -1.05 1.90 0.48 0.00 0.00 -1.11 -3.23 105.19 102.18 1tru n GLY 19 Ca 0.05 -0.48 0.04 0.00 0.00 0.00 0.00 46.02 45.63 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 8.21 2.60 -4.83 1.61 2.03 -1.26 -3.61 116.55 121.30 1tru n ASP 20 Ca 0.00 -1.92 -0.30 0.00 0.52 0.00 0.00 54.79 53.08 1tru n ASP 20 Cb 0.00 -0.16 0.06 0.00 -0.72 0.00 0.00 41.12 40.30 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 2.63 0.76 -0.67 1.02 -1.20 -4.84 119.74 116.47 1tru s LYS 21 Ca 0.17 0.74 -0.14 0.00 0.02 0.00 0.00 55.97 56.76 1tru s LYS 21 Cb 0.09 -1.97 0.05 0.00 -0.52 0.00 0.00 37.83 35.48 1tru s LYS 21 CO 0.12 -1.26 1.19 -1.17 -0.92 0.00 0.00 175.35 173.31 1tru s LEU 22 N -5.59 3.24 -0.35 3.17 0.20 -1.26 -4.64 118.68 113.45 1tru s LEU 22 Ca 0.59 2.31 0.02 0.00 0.69 0.00 0.00 54.13 57.74 1tru s LEU 22 Cb -0.14 -4.58 0.15 0.00 -0.43 0.00 0.00 46.19 41.19 1tru s LEU 22 CO 0.54 -2.37 0.33 -0.69 -0.29 0.00 0.00 176.35 173.88 1tru s VAL 23 N -2.11 -0.26 -0.28 1.68 1.01 -1.02 -2.91 120.40 116.51 1tru s VAL 23 Ca 0.73 -1.03 -0.12 0.00 0.00 0.00 0.00 61.98 61.56 1tru s VAL 23 Cb -0.28 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 1tru s VAL 23 CO 0.47 -0.64 0.24 -0.69 0.00 0.00 0.00 175.10 174.49 1tru s VAL 24 N 1.53 5.27 -0.13 2.92 1.01 -1.06 -0.15 120.40 129.79 1tru s VAL 24 Ca 0.16 0.26 -0.12 0.00 0.00 0.00 0.00 61.98 62.28 1tru s VAL 24 Cb -0.16 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 1tru s VAL 24 CO -0.08 0.21 0.27 -0.69 0.00 0.00 0.00 175.10 174.81 1tru s VAL 25 N 1.85 5.30 -0.33 2.92 1.01 0.72 -2.61 120.40 129.26 1tru s VAL 25 Ca 0.09 0.50 -0.07 0.00 0.00 0.00 0.00 61.98 62.50 1tru s VAL 25 Cb -0.16 -3.58 0.03 0.00 0.00 0.00 0.00 36.38 32.66 1tru s VAL 25 CO 0.11 0.48 0.11 -0.62 0.00 0.00 0.00 175.10 175.17 1tru s ASP 26 N -0.13 5.31 -0.59 3.32 2.15 -0.82 -0.99 116.67 124.92 1tru s ASP 26 Ca 0.17 -0.95 -0.17 0.00 0.43 0.00 0.00 52.55 52.03 1tru s ASP 26 Cb -0.13 -1.90 0.13 0.00 -0.30 0.00 0.00 42.92 40.72 1tru s ASP 26 CO 0.05 -0.28 0.61 -0.36 -0.17 0.00 0.00 175.17 175.02 1tru s PHE 27 N 1.46 3.20 0.20 -5.34 0.08 0.18 -2.77 117.98 114.98 1tru s PHE 27 Ca 0.01 -1.23 -0.04 0.00 0.12 0.00 0.00 56.93 55.79 1tru s PHE 27 Cb -0.19 -3.89 -0.03 0.00 -0.57 0.00 0.00 43.02 38.34 1tru s PHE 27 CO 0.03 -1.13 0.19 -1.12 -0.10 0.00 0.00 175.22 173.10 1tru s SER 28 N 3.50 0.12 -0.49 1.36 0.01 -1.20 -1.84 113.70 115.16 1tru s SER 28 Ca 0.08 -1.24 -0.17 0.00 1.31 0.00 0.00 55.95 55.93 1tru s SER 28 Cb -0.26 0.41 0.07 0.00 0.21 0.00 0.00 66.02 66.45 1tru s SER 28 CO 0.03 -0.88 0.47 0.00 0.41 0.00 0.00 173.24 173.27 1tru s ALA 29 N -4.10 3.52 0.53 1.44 0.00 -1.26 -3.12 121.76 118.77 1tru s ALA 29 Ca 0.32 -2.04 0.24 0.00 0.00 0.00 0.00 51.96 50.47 1tru s ALA 29 Cb 0.05 -3.17 1.39 0.00 0.00 0.00 0.00 23.12 21.40 1tru s ALA 29 CO 0.09 -1.84 2.04 0.00 0.00 0.00 0.00 175.76 176.05 1tru h THR 30 N 5.80 0.76 -0.06 0.00 1.03 -1.95 -0.40 112.91 118.09 1tru h THR 30 Ca -0.28 0.00 -0.21 0.00 -0.01 0.00 0.00 66.41 65.90 1tru h THR 30 Cb 1.11 0.80 0.01 0.00 -1.07 0.00 0.00 68.15 69.00 1tru h THR 30 CO 0.92 0.00 -0.79 4.11 -0.01 0.00 0.00 175.52 179.74 1tru h TRP 31 N 0.00 0.91 -2.32 0.00 5.08 -2.01 -3.44 115.95 114.18 1tru h TRP 31 Ca 0.18 -0.45 -0.48 0.00 1.08 0.00 0.00 58.89 59.22 1tru h TRP 31 Cb 0.74 -0.12 0.24 0.00 -3.00 0.00 0.00 29.16 27.01 1tru h TRP 31 CO 0.00 1.28 -1.24 0.00 -1.28 0.00 0.00 178.44 177.19 1tru n GLY 33 N 2.19 -0.42 0.34 0.00 0.00 -1.26 -3.86 105.19 102.18 1tru n GLY 33 Ca 0.01 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.19 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 0.00 1.61 0.10 -1.95 -0.53 132.00 131.23 1tru h PRO 34 Ca 0.00 0.00 -0.04 0.00 0.10 0.00 0.00 66.00 66.06 1tru h PRO 34 Cb 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 31.00 31.09 1tru h PRO 34 CO 0.00 0.00 -0.24 0.00 0.10 0.00 0.00 178.00 177.86 1tru h LYS 36 N -1.00 0.00 0.00 0.00 3.64 -1.38 -1.84 116.57 115.99 1tru h LYS 36 Ca -0.06 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1tru h LYS 36 Cb 0.83 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.65 1tru h LYS 36 CO -0.04 0.00 0.00 -1.33 -2.27 0.00 0.00 179.45 175.81 1tru n MET 37 N -2.38 0.03 -0.90 1.90 2.81 -0.31 -2.24 117.12 116.03 1tru n MET 37 Ca 0.00 0.29 -0.05 0.00 -1.81 0.00 0.00 57.70 56.14 1tru n MET 37 Cb 0.16 -1.56 0.27 0.00 -0.71 0.00 0.00 33.22 31.39 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 -1.62 2.61 0.06 2.02 5.41 -0.69 -4.34 119.36 122.81 1tru n ILE 38 Ca 0.03 -1.40 0.02 0.00 1.00 0.00 0.00 62.75 62.41 1tru n ILE 38 Cb 0.17 -0.40 -0.06 0.00 -0.71 0.00 0.00 39.64 38.64 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 2.44 0.00 0.00 0.38 2.10 -1.66 -3.23 116.57 116.59 1tru h LYS 39 Ca 0.22 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.87 1tru h LYS 39 Cb 2.13 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.46 1tru h LYS 39 CO 0.64 0.26 0.00 -0.35 -2.00 0.00 0.00 179.45 178.00 1tru n PRO 40 N -2.89 0.70 0.00 0.07 -0.04 -1.26 -2.64 135.00 128.93 1tru n PRO 40 Ca -0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.39 1tru n PRO 40 Cb 0.78 -1.26 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 -0.76 0.00 0.37 0.54 3.72 -1.24 -4.38 117.46 115.70 1tru n PHE 41 Ca 0.09 0.00 -0.14 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 38.51 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 -0.86 0.00 1.38 3.57 -1.69 -2.11 116.94 117.23 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 0.00 0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.02 1tru h PHE 42 CO 0.00 -0.53 0.00 1.58 -2.23 0.00 0.00 178.31 177.13 1tru n HIS 43 N -4.51 0.00 0.08 0.41 -0.00 -1.11 -1.96 115.22 108.12 1tru n HIS 43 Ca -0.12 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.07 1tru n HIS 43 Cb 0.37 -0.30 -0.04 0.00 -0.12 0.00 0.00 29.99 29.89 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 -1.15 -3.27 113.55 110.28 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 0.57 0.00 0.18 -0.53 0.00 0.00 176.83 177.05 1tru n LEU 45 N -3.04 0.24 0.11 2.23 4.77 -0.83 -1.66 117.00 118.82 1tru n LEU 45 Ca -0.05 0.61 0.10 0.00 -0.03 0.00 0.00 56.01 56.65 1tru n LEU 45 Cb 0.80 -0.64 0.59 0.00 -2.33 0.00 0.00 43.42 41.84 1tru n LEU 45 CO 0.42 -0.69 1.13 0.28 -1.33 0.00 0.00 177.39 177.20 1tru h SER 46 N 0.00 0.14 0.52 -1.43 0.02 -1.76 0.61 113.55 111.66 1tru h SER 46 Ca 0.00 -0.00 -0.29 0.00 -0.84 0.00 0.00 61.79 60.66 1tru h SER 46 Cb 0.01 -0.03 -0.05 0.00 0.14 0.00 0.00 62.40 62.47 1tru h SER 46 CO 0.00 0.09 -1.65 -0.33 -1.14 0.00 0.00 176.83 173.80 1tru h GLU 47 N 0.16 0.02 0.00 3.45 4.39 -1.60 -3.35 114.58 117.64 1tru h GLU 47 Ca 0.12 -0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.72 1tru h GLU 47 Cb 0.28 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1tru h GLU 47 CO -0.02 0.59 -0.48 -0.22 -1.16 0.00 0.00 179.01 177.72 1tru h LYS 48 N 0.00 0.00 -3.48 2.33 3.64 -1.44 -3.41 116.57 114.22 1tru h LYS 48 Ca -0.26 0.00 -0.74 0.00 -1.27 0.00 0.00 60.65 58.38 1tru h LYS 48 Cb 1.99 0.00 -0.32 0.00 -0.41 0.00 0.00 32.23 33.49 1tru h LYS 48 CO 0.09 0.74 0.01 0.71 -2.27 0.00 0.00 179.45 178.73 1tru s TYR 49 N -2.17 3.89 -1.28 1.91 2.02 0.21 -4.86 117.35 117.06 1tru s TYR 49 Ca -0.19 -2.78 0.17 0.00 -0.37 0.00 0.00 57.07 53.90 1tru s TYR 49 Cb 0.01 -3.44 0.81 0.00 -0.40 0.00 0.00 41.96 38.93 1tru s TYR 49 CO 0.50 -0.83 1.51 -1.13 -1.57 0.00 0.00 175.55 174.03 1tru n SER 50 N 2.79 0.00 -2.25 2.29 3.41 -1.26 -2.87 113.62 115.74 1tru n SER 50 Ca 0.19 0.20 -0.28 0.00 -0.26 0.00 0.00 58.87 58.72 1tru n SER 50 Cb 0.39 -0.36 0.14 0.00 -0.26 0.00 0.00 64.21 64.12 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 -1.36 5.27 -4.00 4.04 5.15 -1.26 -4.18 115.26 118.92 1tru n ASN 51 Ca 0.07 -3.65 -0.16 0.00 -0.60 0.00 0.00 54.58 50.23 1tru n ASN 51 Cb 0.16 -0.89 -0.14 0.00 -0.53 0.00 0.00 39.78 38.37 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 -3.82 0.55 -0.33 3.44 1.01 -1.14 -4.70 120.40 115.41 1tru s VAL 52 Ca 0.59 -0.43 -0.14 0.00 0.00 0.00 0.00 61.98 62.00 1tru s VAL 52 Cb 0.48 -0.49 -0.02 0.00 0.00 0.00 0.00 36.38 36.36 1tru s VAL 52 CO 0.06 0.06 0.31 -0.63 0.00 0.00 0.00 175.10 174.91 1tru s ILE 53 N -0.36 5.22 -0.17 2.22 -1.09 -1.15 -3.26 121.20 122.61 1tru s ILE 53 Ca 0.01 0.02 -0.03 0.00 -2.23 0.00 0.00 60.65 58.42 1tru s ILE 53 Cb -0.04 -3.75 -0.02 0.00 -1.58 0.00 0.00 42.46 37.07 1tru s ILE 53 CO -0.00 -0.02 -0.04 -0.36 -1.23 0.00 0.00 174.94 173.29 1tru s PHE 54 N 1.91 2.99 -0.12 3.97 0.08 -1.21 -2.56 117.98 123.03 1tru s PHE 54 Ca 0.10 -0.46 -0.03 0.00 0.12 0.00 0.00 56.93 56.66 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 -0.17 0.00 -0.51 -0.10 0.00 0.00 175.22 174.56 1tru s LEU 55 N 0.63 3.53 -0.33 -0.37 1.02 -1.07 -2.54 118.68 119.54 1tru s LEU 55 Ca -0.03 0.06 -0.03 0.00 0.02 0.00 0.00 54.13 54.15 1tru s LEU 55 Cb -0.15 -1.84 0.06 0.00 0.02 0.00 0.00 46.19 44.29 1tru s LEU 55 CO 0.02 0.28 0.07 -0.70 0.02 0.00 0.00 176.35 176.05 1tru s GLU 56 N -0.30 2.38 -0.18 1.70 2.12 -1.08 -1.94 118.70 121.41 1tru s GLU 56 Ca 0.06 -1.37 -0.05 0.00 0.36 0.00 0.00 54.97 53.97 1tru s GLU 56 Cb -0.12 -3.34 -0.03 0.00 0.26 0.00 0.00 34.13 30.89 1tru s GLU 56 CO 0.02 -0.74 0.01 0.08 -0.54 0.00 0.00 175.26 174.10 1tru s VAL 57 N 1.27 4.23 -0.31 3.70 1.01 -1.12 -2.84 120.40 126.34 1tru s VAL 57 Ca -0.01 -0.23 -0.15 0.00 0.00 0.00 0.00 61.98 61.59 1tru s VAL 57 Cb -0.20 -2.89 -0.02 0.00 0.00 0.00 0.00 36.38 33.26 1tru s VAL 57 CO -0.01 0.46 0.35 -0.62 0.00 0.00 0.00 175.10 175.28 1tru s ASP 58 N 0.57 6.19 0.00 3.32 2.15 -1.26 -3.24 116.67 124.40 1tru s ASP 58 Ca -0.00 -0.03 0.02 0.00 0.43 0.00 0.00 52.55 52.96 1tru s ASP 58 Cb -0.14 -2.20 0.09 0.00 -0.30 0.00 0.00 42.92 40.38 1tru s ASP 58 CO 0.02 -0.26 0.36 1.33 -0.17 0.00 0.00 175.17 176.44 1tru n VAL 59 N 5.19 0.00 -0.04 1.11 0.24 -1.18 -1.00 118.33 122.64 1tru n VAL 59 Ca -0.09 0.00 -0.06 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 32.30 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 -0.63 3.35 -0.01 -1.34 9.92 -1.26 -4.39 116.55 122.20 1tru n ASP 60 Ca 0.01 -0.04 -0.22 0.00 -0.53 0.00 0.00 54.79 54.01 1tru n ASP 60 Cb 0.01 -0.12 -0.14 0.00 -0.64 0.00 0.00 41.12 40.23 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 0.34 -1.99 -2.24 1.82 -1.83 -3.37 116.42 109.16 1tru h ASP 61 Ca -0.19 -0.83 -0.74 0.00 -0.39 0.00 0.00 57.03 54.88 1tru h ASP 61 Cb 1.29 -0.11 -0.30 0.00 0.68 0.00 0.00 39.33 40.89 1tru h ASP 61 CO -0.03 1.66 0.70 0.00 -1.61 0.00 0.00 179.24 179.97 1tru n ALA 62 N -3.03 6.13 0.13 -0.78 0.00 -0.17 -4.73 120.51 118.06 1tru n ALA 62 Ca -0.28 -4.27 0.08 0.00 0.00 0.00 0.00 53.44 48.98 1tru n ALA 62 Cb 0.91 -1.75 0.45 0.00 0.00 0.00 0.00 19.45 19.06 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 -0.43 0.11 -0.05 0.00 6.02 -1.26 -1.21 117.38 120.56 1tru n GLN 63 Ca 0.49 0.60 -0.16 0.00 -0.01 0.00 0.00 57.00 57.92 1tru n GLN 63 Cb 0.31 -1.90 -0.07 0.00 1.02 0.00 0.00 30.24 29.61 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 0.79 0.31 1.08 2.03 -1.93 -0.73 116.42 117.97 1tru h ASP 64 Ca 0.00 -0.59 -0.19 0.00 -0.73 0.00 0.00 57.03 55.52 1tru h ASP 64 Cb 0.08 -0.23 -0.00 0.00 -0.83 0.00 0.00 39.33 38.35 1tru h ASP 64 CO 0.00 1.24 -0.79 0.58 -1.03 0.00 0.00 179.24 179.24 1tru h VAL 65 N 0.38 1.40 -0.53 4.15 2.07 -1.54 -1.77 116.25 120.40 1tru h VAL 65 Ca -0.02 -2.26 -0.12 0.00 0.82 0.00 0.00 66.70 65.13 1tru h VAL 65 Cb 1.16 2.21 -0.02 0.00 -1.52 0.00 0.00 31.29 33.13 1tru h VAL 65 CO 0.12 0.67 -0.14 0.00 0.02 0.00 0.00 177.57 178.24 1tru h ALA 66 N 0.90 0.73 0.07 1.67 0.00 -1.43 0.22 119.26 121.42 1tru h ALA 66 Ca -0.04 -0.36 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 1tru h ALA 66 Cb 1.38 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1tru h ALA 66 CO 0.13 0.67 -0.03 0.77 0.00 0.00 0.00 179.25 180.79 1tru h SER 67 N 0.90 -0.08 -0.39 0.00 0.02 -1.09 -2.23 113.55 110.68 1tru h SER 67 Ca 0.13 -0.42 -0.04 0.00 -0.84 0.00 0.00 61.79 60.62 1tru h SER 67 Cb 0.71 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.25 1tru h SER 67 CO 0.05 0.40 0.13 -0.08 -1.14 0.00 0.00 176.83 176.19 1tru h GLU 68 N -0.57 0.67 0.00 3.45 4.57 -1.31 -0.23 114.58 121.16 1tru h GLU 68 Ca -0.01 -0.11 0.00 0.00 -1.18 0.00 0.00 59.36 58.06 1tru h GLU 68 Cb 0.49 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 1tru h GLU 68 CO 0.01 0.60 0.00 0.00 -1.18 0.00 0.00 179.01 178.44 1tru n ALA 69 N -2.47 2.14 -3.86 2.92 0.00 0.78 -4.86 120.51 115.17 1tru n ALA 69 Ca 0.03 -0.11 -0.29 0.00 0.00 0.00 0.00 53.44 53.07 1tru n ALA 69 Cb 0.19 -1.35 0.04 0.00 0.00 0.00 0.00 19.45 18.33 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 -1.24 -5.96 -2.87 0.00 1.02 -0.10 -4.90 120.64 106.59 1tru n GLU 70 Ca 0.11 0.64 -0.43 0.00 -0.02 0.00 0.00 57.16 57.46 1tru n GLU 70 Cb 0.16 -5.56 -0.04 0.00 -0.02 0.00 0.00 31.44 25.97 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 -3.31 4.61 -0.07 2.62 1.01 -0.89 -4.85 120.40 119.53 1tru s VAL 71 Ca 0.65 0.95 0.11 0.00 0.00 0.00 0.00 61.98 63.69 1tru s VAL 71 Cb -0.32 -4.31 0.16 0.00 0.00 0.00 0.00 36.38 31.91 1tru s VAL 71 CO 0.81 -0.58 1.06 0.29 0.00 0.00 0.00 175.10 176.68 1tru n LYS 72 N 6.74 1.54 -3.31 2.72 4.76 -1.26 -4.89 118.16 124.45 1tru n LYS 72 Ca 0.05 -2.00 -0.11 0.00 -2.87 0.00 0.00 58.31 53.38 1tru n LYS 72 Cb 0.48 -1.20 -0.06 0.00 -1.84 0.00 0.00 35.03 32.42 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 -1.89 -1.02 0.23 7.82 0.00 -1.26 -5.14 121.76 120.49 1tru s ALA 73 Ca 0.18 -0.59 -0.02 0.00 0.00 0.00 0.00 51.96 51.52 1tru s ALA 73 Cb 0.16 -2.26 -0.05 0.00 0.00 0.00 0.00 23.12 20.98 1tru s ALA 73 CO 0.02 -2.15 0.44 0.95 0.00 0.00 0.00 175.76 175.02 1tru s THR 74 N 1.59 5.14 0.48 0.00 -4.23 -1.26 -4.06 115.64 113.31 1tru s THR 74 Ca 0.16 -0.21 -0.19 0.00 -1.18 0.00 0.00 61.69 60.27 1tru s THR 74 Cb -0.12 -3.73 -0.09 0.00 1.34 0.00 0.00 72.50 69.91 1tru s THR 74 CO -0.05 -0.21 1.01 -2.16 -0.54 0.00 0.00 174.62 172.66 1tru s PRO 75 N -3.37 3.90 -0.03 3.99 0.04 -1.26 -5.02 135.00 133.25 1tru s PRO 75 Ca 0.40 1.21 -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 -0.33 0.03 0.99 0.04 0.00 0.00 177.00 178.02 1tru s THR 76 N -2.19 0.04 -0.19 1.26 2.01 -0.77 -3.48 115.64 112.33 1tru s THR 76 Ca 0.64 0.23 -0.06 0.00 0.31 0.00 0.00 61.69 62.81 1tru s THR 76 Cb -0.13 -0.21 -0.03 0.00 0.01 0.00 0.00 72.50 72.14 1tru s THR 76 CO 0.21 0.15 0.03 -0.36 -0.69 0.00 0.00 174.62 173.96 1tru s PHE 77 N 1.50 3.12 0.01 4.92 0.08 -1.07 -0.65 117.98 125.90 1tru s PHE 77 Ca -0.03 -0.20 0.07 0.00 0.12 0.00 0.00 56.93 56.88 1tru s PHE 77 Cb -0.13 -2.08 -0.03 0.00 -0.57 0.00 0.00 43.02 40.21 1tru s PHE 77 CO -0.03 -0.06 -0.19 -0.65 -0.10 0.00 0.00 175.22 174.19 1tru s GLN 78 N 0.71 2.14 -0.21 0.44 -0.21 -0.16 -1.96 119.66 120.40 1tru s GLN 78 Ca 0.01 -0.93 -0.06 0.00 0.02 0.00 0.00 55.36 54.40 1tru s GLN 78 Cb -0.14 -2.18 -0.03 0.00 1.00 0.00 0.00 33.01 31.66 1tru s GLN 78 CO 0.02 0.56 0.04 -0.06 -2.12 0.00 0.00 175.29 173.72 1tru s PHE 79 N -0.82 3.10 0.22 0.91 0.40 0.93 -0.20 117.98 122.52 1tru s PHE 79 Ca 0.13 -0.32 0.09 0.00 -0.60 0.00 0.00 56.93 56.23 1tru s PHE 79 Cb -0.10 -2.13 -0.05 0.00 0.51 0.00 0.00 43.02 41.25 1tru s PHE 79 CO 0.03 -0.19 -0.17 -0.06 0.70 0.00 0.00 175.22 175.53 1tru s PHE 80 N 1.05 1.93 -0.20 0.36 0.08 0.79 -1.31 117.98 120.68 1tru s PHE 80 Ca 0.03 -0.47 -0.13 0.00 0.12 0.00 0.00 56.93 56.48 1tru s PHE 80 Cb -0.14 -0.88 0.06 0.00 -0.57 0.00 0.00 43.02 41.48 1tru s PHE 80 CO 0.02 0.47 0.49 0.21 -0.10 0.00 0.00 175.22 176.32 1tru s LYS 81 N -3.44 0.52 -0.15 0.44 2.47 -0.23 -2.43 119.74 116.92 1tru s LYS 81 Ca 0.24 0.84 0.00 0.00 -1.56 0.00 0.00 55.97 55.49 1tru s LYS 81 Cb -0.03 0.11 0.00 0.00 -1.46 0.00 0.00 37.83 36.45 1tru s LYS 81 CO 0.09 -0.13 0.00 1.63 0.16 0.00 0.00 175.35 177.11 1tru n LYS 82 N 3.80 -1.92 -0.62 4.03 5.02 -1.24 0.85 118.16 128.10 1tru n LYS 82 Ca -0.19 0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 1tru n LYS 82 Cb 0.56 -4.07 0.00 0.00 -0.02 0.00 0.00 35.03 31.51 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 0.49 1.40 2.92 0.72 0.00 -1.26 -4.94 105.19 104.52 1tru n GLY 83 Ca -0.01 -0.30 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.84 1.09 -0.28 1.61 -0.21 0.25 -5.09 119.66 115.19 1tru s GLN 84 Ca 0.00 -0.18 -0.29 0.00 0.02 0.00 0.00 55.36 54.91 1tru s GLN 84 Cb 0.00 -1.04 -0.03 0.00 1.00 0.00 0.00 33.01 32.94 1tru s GLN 84 CO 0.00 -0.08 1.82 0.21 -2.12 0.00 0.00 175.29 175.12 1tru s LYS 85 N 0.96 3.44 -0.23 2.91 2.20 -1.26 -1.07 119.74 126.69 1tru s LYS 85 Ca -0.10 1.60 0.13 0.00 -0.36 0.00 0.00 55.97 57.24 1tru s LYS 85 Cb -0.14 -4.18 0.50 0.00 -1.51 0.00 0.00 37.83 32.49 1tru s LYS 85 CO 0.00 -1.73 1.41 1.33 -0.36 0.00 0.00 175.35 176.01 1tru n VAL 86 N 7.19 2.37 0.00 4.02 0.24 -0.43 -4.97 118.33 126.76 1tru n VAL 86 Ca 0.23 -2.33 0.00 0.00 -2.04 0.00 0.00 64.34 60.19 1tru n VAL 86 Cb 0.46 -0.29 0.00 0.00 -1.47 0.00 0.00 33.84 32.54 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 -0.90 3.62 3.59 7.63 0.00 -1.21 -4.96 105.19 112.96 1tru n GLY 87 Ca 0.26 -0.77 -0.08 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.27 0.46 -0.28 1.61 -1.05 -1.26 -0.05 118.70 115.86 1tru s GLU 88 Ca 0.00 0.04 -0.24 0.00 -0.15 0.00 0.00 54.97 54.62 1tru s GLU 88 Cb 0.00 0.21 0.12 0.00 -0.44 0.00 0.00 34.13 34.02 1tru s GLU 88 CO 0.00 -0.16 0.98 -0.59 0.95 0.00 0.00 175.26 176.44 1tru s PHE 89 N -1.43 -0.53 -0.12 4.83 -0.12 -0.83 -4.99 117.98 114.78 1tru s PHE 89 Ca 0.03 1.28 -0.02 0.00 -0.05 0.00 0.00 56.93 58.16 1tru s PHE 89 Cb -0.01 0.35 -0.03 0.00 -0.63 0.00 0.00 43.02 42.71 1tru s PHE 89 CO -0.02 -0.26 -0.04 -1.54 -0.05 0.00 0.00 175.22 173.31 1tru s SER 90 N 0.35 4.86 0.00 1.98 1.04 -1.26 -2.60 113.70 118.07 1tru s SER 90 Ca 0.02 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.40 1tru s SER 90 Cb -0.05 -1.59 0.00 0.00 0.10 0.00 0.00 66.02 64.48 1tru s SER 90 CO -0.06 0.25 0.00 0.61 0.98 0.00 0.00 173.24 175.02 1tru n GLY 91 N 2.98 4.02 2.16 7.32 0.00 -1.23 -4.97 105.19 115.46 1tru n GLY 91 Ca -0.18 -0.60 -0.25 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.26 6.96 -3.46 4.61 0.00 -1.26 -4.76 120.51 121.33 1tru n ALA 92 Ca 0.00 -2.67 -0.43 0.00 0.00 0.00 0.00 53.44 50.35 1tru n ALA 92 Cb 0.00 -2.83 -0.04 0.00 0.00 0.00 0.00 19.45 16.59 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 2.05 6.46 0.45 0.00 3.04 -1.26 -4.88 114.94 120.80 1tru s ASN 93 Ca 0.68 -3.12 0.10 0.00 0.04 0.00 0.00 52.86 50.56 1tru s ASN 93 Cb 0.25 -2.09 1.01 0.00 -1.54 0.00 0.00 41.25 38.89 1tru s ASN 93 CO -0.03 -0.40 2.09 0.07 -3.04 0.00 0.00 177.10 175.80 1tru h LYS 94 N 7.06 0.34 0.00 0.43 -0.00 -2.00 -0.69 116.57 121.70 1tru h LYS 94 Ca 0.11 -0.02 -0.06 0.00 -0.00 0.00 0.00 60.65 60.67 1tru h LYS 94 Cb 0.94 -0.08 -0.01 0.00 -0.00 0.00 0.00 32.23 33.09 1tru h LYS 94 CO 0.82 0.22 -0.31 0.93 -0.00 0.00 0.00 179.45 181.12 1tru h GLU 95 N 0.35 0.00 -0.39 0.07 5.08 -1.99 -2.96 114.58 114.74 1tru h GLU 95 Ca 0.10 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.35 1tru h GLU 95 Cb -0.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 1tru h GLU 95 CO -0.02 0.31 -0.18 -0.22 -1.00 0.00 0.00 179.01 177.90 1tru h LYS 96 N 0.00 0.80 -1.00 2.33 3.64 -1.53 -2.89 116.57 117.92 1tru h LYS 96 Ca -0.00 -0.35 0.23 0.00 -1.27 0.00 0.00 60.65 59.26 1tru h LYS 96 Cb 0.66 -0.02 -0.10 0.00 -0.41 0.00 0.00 32.23 32.36 1tru h LYS 96 CO 0.04 0.97 0.63 -0.07 -2.27 0.00 0.00 179.45 178.75 1tru h LEU 97 N 0.60 0.56 0.62 5.20 3.38 -1.47 0.17 115.31 124.38 1tru h LEU 97 Ca 0.09 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 1tru h LEU 97 Cb 0.73 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.48 1tru h LEU 97 CO 0.05 0.15 -0.30 -0.08 0.09 0.00 0.00 178.44 178.36 1tru h GLU 98 N 0.52 -0.80 -0.98 1.13 4.81 -1.60 0.27 114.58 117.92 1tru h GLU 98 Ca 0.58 0.05 0.11 0.00 -0.13 0.00 0.00 59.36 59.97 1tru h GLU 98 Cb 1.25 0.18 -0.08 0.00 0.63 0.00 0.00 28.75 30.73 1tru h GLU 98 CO -0.33 -0.51 0.62 0.00 -0.73 0.00 0.00 179.01 178.06 1tru h ALA 99 N -1.12 1.45 -0.09 2.92 0.00 -1.31 -0.27 119.26 120.83 1tru h ALA 99 Ca -0.09 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1tru h ALA 99 Cb 0.66 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1tru h ALA 99 CO 0.14 0.26 -0.15 1.15 0.00 0.00 0.00 179.25 180.64 1tru h THR 100 N 1.01 1.39 -0.94 0.00 2.02 -0.67 -2.83 112.91 112.89 1tru h THR 100 Ca 0.47 -1.41 0.06 0.00 0.77 0.00 0.00 66.41 66.31 1tru h THR 100 Cb 0.41 2.09 -0.06 0.00 -1.74 0.00 0.00 68.15 68.85 1tru h THR 100 CO -0.24 0.40 0.61 0.40 0.37 0.00 0.00 175.52 177.06 1tru h ILE 101 N -0.18 1.08 0.00 3.11 2.04 0.09 0.50 117.51 124.15 1tru h ILE 101 Ca 0.01 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.49 1tru h ILE 101 Cb 0.72 -0.10 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 1tru h ILE 101 CO 0.03 0.20 0.00 -3.20 0.00 0.00 0.00 178.15 175.18 1tru n ASN 102 N -4.49 0.00 -0.06 1.72 5.15 -0.16 -2.09 115.26 115.33 1tru n ASN 102 Ca 0.14 -0.34 -0.05 0.00 -0.60 0.00 0.00 54.58 53.73 1tru n ASN 102 Cb 0.19 -0.14 -0.04 0.00 -0.53 0.00 0.00 39.78 39.26 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 -0.67 1.20 4.57 0.26 -3.35 114.58 116.59 1tru h GLU 103 Ca 0.00 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.10 1tru h GLU 103 Cb 0.10 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.64 1tru h GLU 103 CO 0.00 0.30 0.10 1.28 -1.18 0.00 0.00 179.01 179.52 1tru n LEU 104 N -4.72 5.65 0.00 1.64 4.77 -1.19 -5.12 117.00 118.03 1tru n LEU 104 Ca -0.04 -2.90 0.06 0.00 -0.03 0.00 0.00 56.01 53.10 1tru n LEU 104 Cb 0.16 -0.70 0.34 0.00 -2.33 0.00 0.00 43.42 40.88 1tru n LEU 104 CO 0.10 0.67 0.55 0.55 -1.33 0.00 0.00 177.39 177.94