#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 -0.18 2.03 1.01 -1.26 -3.32 120.40 118.81 1tru s VAL 2 Ca 0.00 -1.52 -0.07 0.00 0.00 0.00 0.00 61.98 60.40 1tru s VAL 2 Cb 0.00 -1.68 0.08 0.00 0.00 0.00 0.00 36.38 34.78 1tru s VAL 2 CO 0.00 -0.56 0.39 -0.75 0.00 0.00 0.00 175.10 174.17 1tru s LYS 3 N -3.95 0.29 -0.21 2.72 2.20 -1.14 -5.00 119.74 114.66 1tru s LYS 3 Ca 0.13 0.95 -0.28 0.00 -0.36 0.00 0.00 55.97 56.41 1tru s LYS 3 Cb 0.06 0.23 0.00 0.00 -1.51 0.00 0.00 37.83 36.60 1tru s LYS 3 CO -0.05 -0.25 1.00 -1.14 -0.36 0.00 0.00 175.35 174.55 1tru s GLN 4 N 2.45 4.28 -0.37 4.03 0.74 -1.26 -2.70 119.66 126.83 1tru s GLN 4 Ca -0.02 1.29 -0.22 0.00 0.05 0.00 0.00 55.36 56.47 1tru s GLN 4 Cb -0.12 -3.62 0.01 0.00 1.10 0.00 0.00 33.01 30.38 1tru s GLN 4 CO -0.12 -0.54 0.71 0.42 -0.55 0.00 0.00 175.29 175.21 1tru s ILE 5 N 2.89 4.80 -0.27 -2.34 -1.09 -1.13 -4.90 121.20 119.17 1tru s ILE 5 Ca 0.43 0.68 0.23 0.00 -2.23 0.00 0.00 60.65 59.76 1tru s ILE 5 Cb -0.16 -4.16 0.01 0.00 -1.58 0.00 0.00 42.46 36.58 1tru s ILE 5 CO 0.09 -0.41 1.08 -0.33 -1.23 0.00 0.00 174.94 174.14 1tru h GLU 6 N 8.52 0.00 -3.02 2.79 5.08 -1.94 -3.41 114.58 122.60 1tru h GLU 6 Ca -0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1tru h GLU 6 Cb 1.10 0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.25 1tru h GLU 6 CO 0.88 0.00 0.20 -1.54 -1.00 0.00 0.00 179.01 177.55 1tru s SER 7 N -5.29 -0.47 0.60 1.42 1.04 -1.26 -4.24 113.70 105.50 1tru s SER 7 Ca 0.00 -0.19 0.29 0.00 0.48 0.00 0.00 55.95 56.53 1tru s SER 7 Cb 0.10 0.63 1.55 0.00 0.10 0.00 0.00 66.02 68.40 1tru s SER 7 CO 0.78 -1.07 1.97 0.50 0.98 0.00 0.00 173.24 176.40 1tru h LYS 8 N 2.02 0.00 0.62 4.02 3.64 -1.92 -1.73 116.57 123.21 1tru h LYS 8 Ca -0.30 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 -0.35 1.15 -2.27 0.00 0.00 179.45 178.32 1tru h THR 9 N 0.00 0.28 0.00 1.00 2.02 -2.01 -1.71 112.91 112.49 1tru h THR 9 Ca 0.15 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.33 1tru h THR 9 Cb 0.90 0.28 -0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1tru h THR 9 CO -0.00 0.00 -0.02 0.00 0.37 0.00 0.00 175.52 175.86 1tru h ALA 10 N -0.57 1.09 0.81 6.16 0.00 -1.73 -2.94 119.26 122.08 1tru h ALA 10 Ca -0.08 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 1tru h ALA 10 Cb 0.72 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.52 1tru h ALA 10 CO 0.10 0.03 -0.39 0.35 0.00 0.00 0.00 179.25 179.34 1tru h PHE 11 N 0.00 -1.01 -0.76 0.00 3.57 -1.02 0.12 116.94 117.84 1tru h PHE 11 Ca -0.00 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 1tru h PHE 11 Cb 0.20 0.34 -0.04 0.00 2.79 0.00 0.00 35.95 39.24 1tru h PHE 11 CO 0.00 -0.62 0.41 -0.56 -2.23 0.00 0.00 178.31 175.31 1tru h GLN 12 N -1.19 1.06 -0.61 1.11 3.07 -1.41 -1.64 115.11 115.50 1tru h GLN 12 Ca -0.11 -0.13 0.03 0.00 0.09 0.00 0.00 58.65 58.53 1tru h GLN 12 Cb 0.85 -0.21 -0.03 0.00 0.08 0.00 0.00 27.48 28.17 1tru h GLN 12 CO 0.18 0.79 0.40 0.93 0.09 0.00 0.00 178.83 181.23 1tru h GLU 13 N 1.05 0.72 -0.09 0.06 5.08 -1.44 -0.64 114.58 119.32 1tru h GLU 13 Ca 0.27 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.46 1tru h GLU 13 Cb 0.04 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 1tru h GLU 13 CO -0.04 0.48 -0.49 0.00 -1.00 0.00 0.00 179.01 177.95 1tru h ALA 14 N 1.64 0.99 -0.01 3.43 0.00 -0.06 0.19 119.26 125.44 1tru h ALA 14 Ca 0.24 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 1tru h ALA 14 Cb 0.04 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1tru h ALA 14 CO -0.06 0.65 -0.00 -0.07 0.00 0.00 0.00 179.25 179.77 1tru h LEU 15 N 0.20 0.01 -0.90 0.00 3.38 -0.43 -0.05 115.31 117.53 1tru h LEU 15 Ca 0.01 -0.44 -0.11 0.00 0.09 0.00 0.00 57.88 57.44 1tru h LEU 15 Cb 0.94 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 1tru h LEU 15 CO 0.08 0.45 -0.33 -0.78 0.09 0.00 0.00 178.44 177.94 1tru h ASP 16 N -0.42 0.42 0.33 -0.43 3.58 -1.32 -2.68 116.42 115.90 1tru h ASP 16 Ca 0.00 -0.16 -0.11 0.00 0.42 0.00 0.00 57.03 57.18 1tru h ASP 16 Cb 0.44 -0.12 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 1tru h ASP 16 CO 0.00 0.73 -0.48 0.00 -2.88 0.00 0.00 179.24 176.62 1tru h ALA 17 N 1.30 1.07 0.00 -0.78 0.00 -0.88 -2.67 119.26 117.29 1tru h ALA 17 Ca 0.04 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 1tru h ALA 17 Cb 0.76 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 1tru h ALA 17 CO 0.06 0.63 -0.10 0.00 0.00 0.00 0.00 179.25 179.84 1tru h ALA 18 N 1.37 1.77 -0.00 0.00 0.00 -0.64 -3.47 119.26 118.28 1tru h ALA 18 Ca 0.01 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1tru h ALA 18 Cb 0.90 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1tru h ALA 18 CO 0.07 0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.85 1tru n GLY 19 N -1.21 1.36 0.52 0.00 0.00 -1.01 -3.21 105.19 101.63 1tru n GLY 19 Ca -0.03 -0.57 0.05 0.00 0.00 0.00 0.00 46.02 45.47 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 8.10 2.79 -4.83 1.61 8.00 -1.26 -3.89 116.55 127.08 1tru n ASP 20 Ca 0.00 -2.08 -0.30 0.00 0.71 0.00 0.00 54.79 53.12 1tru n ASP 20 Cb 0.00 -0.21 0.07 0.00 -0.02 0.00 0.00 41.12 40.96 1tru n ASP 20 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1tru s LYS 21 N -1.14 2.46 0.78 -1.24 1.02 -1.20 -4.81 119.74 115.61 1tru s LYS 21 Ca 0.20 0.66 -0.14 0.00 0.02 0.00 0.00 55.97 56.71 1tru s LYS 21 Cb 0.11 -1.96 0.07 0.00 -0.52 0.00 0.00 37.83 35.53 1tru s LYS 21 CO 0.12 -1.36 1.19 -1.17 -0.92 0.00 0.00 175.35 173.21 1tru s LEU 22 N -5.62 3.19 -0.33 3.17 0.20 -1.26 -4.60 118.68 113.43 1tru s LEU 22 Ca 0.59 2.31 0.01 0.00 0.69 0.00 0.00 54.13 57.74 1tru s LEU 22 Cb -0.13 -4.58 0.14 0.00 -0.43 0.00 0.00 46.19 41.19 1tru s LEU 22 CO 0.54 -2.47 0.32 -0.69 -0.29 0.00 0.00 176.35 173.76 1tru s VAL 23 N -2.16 -0.32 -0.29 1.68 1.01 -0.94 -2.89 120.40 116.48 1tru s VAL 23 Ca 0.72 -0.82 -0.12 0.00 0.00 0.00 0.00 61.98 61.77 1tru s VAL 23 Cb -0.28 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 1tru s VAL 23 CO 0.49 -0.57 0.23 -0.69 0.00 0.00 0.00 175.10 174.56 1tru s VAL 24 N 1.84 5.28 -0.11 2.92 1.01 -1.01 -0.20 120.40 130.12 1tru s VAL 24 Ca 0.13 0.15 -0.13 0.00 0.00 0.00 0.00 61.98 62.13 1tru s VAL 24 Cb -0.15 -3.60 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 1tru s VAL 24 CO -0.17 0.17 0.31 -0.69 0.00 0.00 0.00 175.10 174.72 1tru s VAL 25 N 1.81 5.25 -0.31 2.92 1.01 0.52 -2.60 120.40 128.99 1tru s VAL 25 Ca 0.08 0.61 -0.07 0.00 0.00 0.00 0.00 61.98 62.60 1tru s VAL 25 Cb -0.16 -3.63 0.02 0.00 0.00 0.00 0.00 36.38 32.60 1tru s VAL 25 CO 0.11 0.47 0.09 -0.62 0.00 0.00 0.00 175.10 175.15 1tru s ASP 26 N -0.15 5.19 -0.53 3.32 -1.08 -0.62 -1.19 116.67 121.61 1tru s ASP 26 Ca 0.19 -0.84 -0.17 0.00 -0.52 0.00 0.00 52.55 51.21 1tru s ASP 26 Cb -0.14 -1.88 0.10 0.00 -1.46 0.00 0.00 42.92 39.54 1tru s ASP 26 CO 0.07 -0.24 0.53 -0.36 0.52 0.00 0.00 175.17 175.69 1tru s PHE 27 N 1.47 3.17 0.22 -5.34 0.08 0.28 -2.55 117.98 115.32 1tru s PHE 27 Ca 0.01 -1.02 -0.03 0.00 0.12 0.00 0.00 56.93 56.01 1tru s PHE 27 Cb -0.18 -3.62 -0.03 0.00 -0.57 0.00 0.00 43.02 38.62 1tru s PHE 27 CO 0.03 -1.01 0.22 -1.54 -0.10 0.00 0.00 175.22 172.81 1tru s SER 28 N 3.19 0.18 -0.55 1.36 1.04 -1.19 -1.72 113.70 116.02 1tru s SER 28 Ca 0.07 -1.31 -0.18 0.00 0.48 0.00 0.00 55.95 55.00 1tru s SER 28 Cb -0.26 0.44 0.09 0.00 0.10 0.00 0.00 66.02 66.39 1tru s SER 28 CO 0.06 -0.93 0.63 0.00 0.98 0.00 0.00 173.24 173.98 1tru s ALA 29 N -4.07 3.45 0.54 5.32 0.00 -1.26 -3.13 121.76 122.60 1tru s ALA 29 Ca 0.35 -2.13 0.26 0.00 0.00 0.00 0.00 51.96 50.45 1tru s ALA 29 Cb 0.05 -3.41 1.42 0.00 0.00 0.00 0.00 23.12 21.18 1tru s ALA 29 CO 0.12 -2.16 1.99 0.00 0.00 0.00 0.00 175.76 175.71 1tru h THR 30 N 5.89 0.69 0.03 0.00 1.03 -1.95 0.11 112.91 118.71 1tru h THR 30 Ca -0.29 0.00 -0.24 0.00 -0.01 0.00 0.00 66.41 65.87 1tru h THR 30 Cb 1.09 0.72 0.00 0.00 -1.07 0.00 0.00 68.15 68.90 1tru h THR 30 CO 1.04 0.00 -1.00 4.11 -0.01 0.00 0.00 175.52 179.66 1tru h TRP 31 N 0.00 0.61 -2.92 0.00 5.08 -2.02 -3.46 115.95 113.25 1tru h TRP 31 Ca 0.25 -0.35 -0.48 0.00 1.08 0.00 0.00 58.89 59.39 1tru h TRP 31 Cb 1.04 -0.06 0.22 0.00 -3.00 0.00 0.00 29.16 27.36 1tru h TRP 31 CO 0.00 1.19 -0.68 0.00 -1.28 0.00 0.00 178.44 177.67 1tru n GLY 33 N 1.59 -0.35 0.35 0.00 0.00 -1.26 -4.04 105.19 101.48 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 0.20 1.61 0.11 -1.96 0.33 132.00 132.29 1tru h PRO 34 Ca 0.00 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.83 1tru h PRO 34 Cb 0.00 0.00 0.03 0.00 0.11 0.00 0.00 31.00 31.14 1tru h PRO 34 CO 0.00 0.00 -1.25 0.00 -0.21 0.00 0.00 178.00 176.54 1tru h LYS 36 N -0.09 0.00 0.00 0.00 3.64 -1.09 -2.50 116.57 116.53 1tru h LYS 36 Ca -0.22 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 1tru h LYS 36 Cb 1.93 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.75 1tru h LYS 36 CO 0.21 0.00 0.00 -1.33 -2.27 0.00 0.00 179.45 176.06 1tru n MET 37 N -2.55 0.07 -0.68 1.90 2.81 -0.87 -2.09 117.12 115.70 1tru n MET 37 Ca 0.00 0.26 0.08 0.00 -1.81 0.00 0.00 57.70 56.23 1tru n MET 37 Cb 0.19 -1.50 0.35 0.00 -0.71 0.00 0.00 33.22 31.55 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 -1.40 2.05 0.07 2.02 5.41 -0.94 -4.31 119.36 122.26 1tru n ILE 38 Ca 0.04 -1.17 0.01 0.00 1.00 0.00 0.00 62.75 62.63 1tru n ILE 38 Cb 0.10 -0.08 -0.04 0.00 -0.71 0.00 0.00 39.64 38.91 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 3.73 0.00 0.00 0.38 2.10 -1.66 -3.09 116.57 118.04 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 1.58 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.91 1tru h LYS 39 CO 0.32 0.36 0.00 -0.35 -2.00 0.00 0.00 179.45 177.78 1tru n PRO 40 N -3.01 0.49 0.00 0.07 -0.05 -1.26 -2.05 135.00 129.19 1tru n PRO 40 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 63.50 63.40 1tru n PRO 40 Cb 0.79 -1.37 0.00 0.00 -0.05 0.00 0.00 33.50 32.87 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 -0.87 0.00 0.37 0.54 3.72 -1.23 -4.38 117.46 115.61 1tru n PHE 41 Ca 0.09 0.00 -0.14 0.00 -0.05 0.00 0.00 57.45 57.34 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 -0.87 0.00 1.38 3.57 -1.63 -2.20 116.94 117.19 1tru h PHE 42 Ca 0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1tru h PHE 42 Cb 0.00 0.29 0.00 0.00 2.79 0.00 0.00 35.95 39.03 1tru h PHE 42 CO 0.00 -0.54 0.00 1.58 -2.23 0.00 0.00 178.31 177.12 1tru n HIS 43 N -4.60 0.00 0.08 0.41 -0.00 -0.99 -1.88 115.22 108.24 1tru n HIS 43 Ca -0.12 0.00 -0.01 0.00 0.46 0.00 0.00 57.72 58.05 1tru n HIS 43 Cb 0.37 -0.42 -0.05 0.00 -0.12 0.00 0.00 29.99 29.77 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 -0.81 -3.24 113.55 110.64 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 0.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1tru h SER 44 CO 0.00 0.67 0.00 0.18 -0.53 0.00 0.00 176.83 177.15 1tru n LEU 45 N -3.14 0.30 -0.13 2.23 4.77 -0.79 -1.78 117.00 118.46 1tru n LEU 45 Ca -0.03 0.64 0.08 0.00 -0.03 0.00 0.00 56.01 56.67 1tru n LEU 45 Cb 0.84 -0.67 0.41 0.00 -2.33 0.00 0.00 43.42 41.67 1tru n LEU 45 CO 0.43 -0.73 1.20 0.28 -1.33 0.00 0.00 177.39 177.24 1tru h SER 46 N 0.00 0.54 0.80 -1.43 0.02 -1.74 0.53 113.55 112.26 1tru h SER 46 Ca 0.00 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.80 1tru h SER 46 Cb 0.01 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 1tru h SER 46 CO 0.00 0.34 -1.30 -0.33 -1.14 0.00 0.00 176.83 174.40 1tru h GLU 47 N 0.61 0.00 0.00 3.45 4.39 -1.63 -3.35 114.58 118.05 1tru h GLU 47 Ca 0.29 0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.94 1tru h GLU 47 Cb 0.34 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 1tru h GLU 47 CO -0.09 0.29 -0.38 -0.22 -1.16 0.00 0.00 179.01 177.45 1tru h LYS 48 N 0.00 0.00 -3.52 2.33 3.64 -1.35 -3.42 116.57 114.25 1tru h LYS 48 Ca -0.14 0.00 -0.72 0.00 -1.27 0.00 0.00 60.65 58.52 1tru h LYS 48 Cb 1.53 0.00 -0.33 0.00 -0.41 0.00 0.00 32.23 33.01 1tru h LYS 48 CO 0.04 0.37 -0.13 0.71 -2.27 0.00 0.00 179.45 178.17 1tru s TYR 49 N -2.03 3.69 -1.35 1.91 2.02 0.18 -4.88 117.35 116.89 1tru s TYR 49 Ca -0.13 -2.71 0.17 0.00 -0.37 0.00 0.00 57.07 54.03 1tru s TYR 49 Cb 0.01 -3.36 0.82 0.00 -0.40 0.00 0.00 41.96 39.03 1tru s TYR 49 CO 0.30 -0.84 1.50 -1.13 -1.57 0.00 0.00 175.55 173.82 1tru n SER 50 N 3.10 0.00 -2.21 2.29 3.41 -1.26 -2.80 113.62 116.16 1tru n SER 50 Ca 0.15 0.13 -0.25 0.00 -0.26 0.00 0.00 58.87 58.63 1tru n SER 50 Cb 0.39 -0.32 0.15 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 -1.32 4.56 -4.04 4.04 5.15 -1.26 -4.38 115.26 118.00 1tru n ASN 51 Ca 0.07 -3.59 -0.18 0.00 -0.60 0.00 0.00 54.58 50.28 1tru n ASN 51 Cb 0.14 -0.86 -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 -3.49 0.74 -0.29 3.44 1.01 -1.12 -4.70 120.40 115.99 1tru s VAL 52 Ca 0.56 -0.54 -0.12 0.00 0.00 0.00 0.00 61.98 61.89 1tru s VAL 52 Cb 0.47 -0.65 -0.04 0.00 0.00 0.00 0.00 36.38 36.16 1tru s VAL 52 CO 0.08 0.11 0.24 -0.63 0.00 0.00 0.00 175.10 174.91 1tru s ILE 53 N -0.41 5.27 -0.16 2.22 -1.09 -1.14 -3.48 121.20 122.41 1tru s ILE 53 Ca 0.02 0.17 -0.02 0.00 -2.23 0.00 0.00 60.65 58.59 1tru s ILE 53 Cb -0.05 -3.61 -0.01 0.00 -1.58 0.00 0.00 42.46 37.21 1tru s ILE 53 CO -0.00 0.17 -0.10 -0.36 -1.23 0.00 0.00 174.94 173.42 1tru s PHE 54 N 1.83 2.88 -0.10 3.97 0.08 -1.21 -2.41 117.98 123.01 1tru s PHE 54 Ca 0.09 -0.68 -0.02 0.00 0.12 0.00 0.00 56.93 56.44 1tru s PHE 54 Cb -0.16 -1.93 -0.03 0.00 -0.57 0.00 0.00 43.02 40.33 1tru s PHE 54 CO 0.11 -0.28 -0.04 -0.51 -0.10 0.00 0.00 175.22 174.40 1tru s LEU 55 N 0.64 3.31 -0.31 -0.37 1.02 -1.07 -2.87 118.68 119.03 1tru s LEU 55 Ca -0.05 -0.01 -0.03 0.00 0.02 0.00 0.00 54.13 54.05 1tru s LEU 55 Cb -0.15 -1.76 0.05 0.00 0.02 0.00 0.00 46.19 44.35 1tru s LEU 55 CO 0.03 0.30 0.03 -0.70 0.02 0.00 0.00 176.35 176.02 1tru s GLU 56 N -0.40 2.47 -0.16 1.70 2.12 -1.10 -1.59 118.70 121.74 1tru s GLU 56 Ca 0.07 -1.26 -0.05 0.00 0.36 0.00 0.00 54.97 54.09 1tru s GLU 56 Cb -0.12 -3.26 -0.03 0.00 0.26 0.00 0.00 34.13 30.98 1tru s GLU 56 CO 0.02 -0.64 0.01 0.08 -0.54 0.00 0.00 175.26 174.19 1tru s VAL 57 N 1.29 4.35 -0.33 3.70 1.01 -1.06 -2.82 120.40 126.55 1tru s VAL 57 Ca -0.04 -0.20 -0.14 0.00 0.00 0.00 0.00 61.98 61.60 1tru s VAL 57 Cb -0.20 -2.92 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 1tru s VAL 57 CO -0.00 0.49 0.31 -0.62 0.00 0.00 0.00 175.10 175.28 1tru s ASP 58 N 0.21 6.13 0.00 3.32 2.15 -1.26 -3.14 116.67 124.08 1tru s ASP 58 Ca 0.01 -0.25 0.03 0.00 0.43 0.00 0.00 52.55 52.77 1tru s ASP 58 Cb -0.13 -2.17 0.19 0.00 -0.30 0.00 0.00 42.92 40.50 1tru s ASP 58 CO 0.02 -0.27 0.52 1.33 -0.17 0.00 0.00 175.17 176.60 1tru n VAL 59 N 5.17 0.00 -0.07 1.11 0.24 -1.18 -0.85 118.33 122.76 1tru n VAL 59 Ca -0.11 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.10 1tru n VAL 59 Cb 0.50 -0.68 -0.06 0.00 -1.47 0.00 0.00 33.84 32.13 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 -0.77 2.87 -0.00 -1.34 9.92 -1.26 -4.20 116.55 121.77 1tru n ASP 60 Ca 0.02 -0.06 -0.21 0.00 -0.53 0.00 0.00 54.79 54.01 1tru n ASP 60 Cb 0.01 -0.22 -0.14 0.00 -0.64 0.00 0.00 41.12 40.14 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 -0.03 0.35 -1.78 -2.24 1.82 -1.82 -3.36 116.42 109.37 1tru h ASP 61 Ca -0.30 -0.84 -0.73 0.00 -0.39 0.00 0.00 57.03 54.77 1tru h ASP 61 Cb 1.45 -0.11 -0.30 0.00 0.68 0.00 0.00 39.33 41.05 1tru h ASP 61 CO -0.05 1.63 0.76 0.00 -1.61 0.00 0.00 179.24 179.97 1tru n ALA 62 N -3.00 6.28 0.07 -0.78 0.00 -0.03 -4.71 120.51 118.35 1tru n ALA 62 Ca -0.26 -4.06 0.04 0.00 0.00 0.00 0.00 53.44 49.16 1tru n ALA 62 Cb 0.90 -1.74 0.23 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 -0.58 0.05 -0.03 0.00 10.64 -1.26 -0.93 117.38 125.27 1tru n GLN 63 Ca 0.53 0.51 -0.17 0.00 -1.83 0.00 0.00 57.00 56.04 1tru n GLN 63 Cb 0.36 -1.76 -0.07 0.00 -0.86 0.00 0.00 30.24 27.91 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 0.95 0.98 2.61 3.04 -1.92 -2.76 116.42 119.32 1tru h ASP 64 Ca 0.00 -0.61 -0.13 0.00 -3.24 0.00 0.00 57.03 53.05 1tru h ASP 64 Cb 0.16 -0.28 -0.02 0.00 -1.04 0.00 0.00 39.33 38.15 1tru h ASP 64 CO 0.00 1.41 -0.63 0.58 -2.04 0.00 0.00 179.24 178.56 1tru h VAL 65 N 0.56 1.24 -0.51 4.15 2.07 -1.43 -2.79 116.25 119.54 1tru h VAL 65 Ca -0.05 -2.33 -0.09 0.00 0.82 0.00 0.00 66.70 65.05 1tru h VAL 65 Cb 1.38 2.34 -0.02 0.00 -1.52 0.00 0.00 31.29 33.47 1tru h VAL 65 CO 0.16 0.62 -0.03 0.00 0.02 0.00 0.00 177.57 178.33 1tru h ALA 66 N 1.37 0.69 0.10 1.67 0.00 -1.45 0.37 119.26 122.01 1tru h ALA 66 Ca -0.01 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 1tru h ALA 66 Cb 1.29 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1tru h ALA 66 CO 0.08 0.53 -0.05 1.03 0.00 0.00 0.00 179.25 180.84 1tru h SER 67 N 0.79 -0.12 -0.49 0.00 0.87 -1.48 -1.72 113.55 111.40 1tru h SER 67 Ca 0.14 -0.40 -0.03 0.00 -1.23 0.00 0.00 61.79 60.27 1tru h SER 67 Cb 0.57 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.53 1tru h SER 67 CO 0.03 0.37 0.20 -0.08 -0.53 0.00 0.00 176.83 176.82 1tru h GLU 68 N -0.64 0.77 0.00 2.24 4.22 -1.49 -0.29 114.58 119.39 1tru h GLU 68 Ca -0.01 -0.12 0.00 0.00 0.08 0.00 0.00 59.36 59.31 1tru h GLU 68 Cb 0.51 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1tru h GLU 68 CO 0.02 0.65 0.00 0.00 -2.18 0.00 0.00 179.01 177.50 1tru n ALA 69 N -2.46 2.04 -2.67 2.92 0.00 0.13 -4.86 120.51 115.61 1tru n ALA 69 Ca 0.04 -0.09 -0.21 0.00 0.00 0.00 0.00 53.44 53.18 1tru n ALA 69 Cb 0.17 -1.34 0.01 0.00 0.00 0.00 0.00 19.45 18.29 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 -1.37 -3.06 -2.79 0.00 2.13 -0.12 -4.91 120.64 110.51 1tru n GLU 70 Ca 0.08 0.95 -0.43 0.00 0.66 0.00 0.00 57.16 58.42 1tru n GLU 70 Cb 0.20 -5.70 -0.04 0.00 0.27 0.00 0.00 31.44 26.17 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 -3.08 4.26 -0.17 6.31 1.01 -0.71 -4.81 120.40 123.20 1tru s VAL 71 Ca 0.13 0.10 0.15 0.00 0.00 0.00 0.00 61.98 62.36 1tru s VAL 71 Cb -0.06 -4.65 0.29 0.00 0.00 0.00 0.00 36.38 31.97 1tru s VAL 71 CO 0.16 -1.34 1.19 0.29 0.00 0.00 0.00 175.10 175.40 1tru n LYS 72 N 7.84 2.05 -3.32 2.72 5.02 -1.26 -4.84 118.16 126.38 1tru n LYS 72 Ca 0.00 -2.41 -0.11 0.00 -2.02 0.00 0.00 58.31 53.77 1tru n LYS 72 Cb 0.47 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 33.95 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 -2.41 -1.03 0.24 7.82 0.00 -1.26 -5.15 121.76 119.97 1tru s ALA 73 Ca 0.28 -0.40 -0.03 0.00 0.00 0.00 0.00 51.96 51.81 1tru s ALA 73 Cb 0.23 -2.19 -0.05 0.00 0.00 0.00 0.00 23.12 21.11 1tru s ALA 73 CO 0.05 -2.04 0.48 0.95 0.00 0.00 0.00 175.76 175.19 1tru s THR 74 N 1.84 5.10 0.46 0.00 -4.23 -1.26 -4.03 115.64 113.52 1tru s THR 74 Ca 0.15 -0.11 -0.21 0.00 -1.18 0.00 0.00 61.69 60.34 1tru s THR 74 Cb -0.12 -3.72 -0.10 0.00 1.34 0.00 0.00 72.50 69.90 1tru s THR 74 CO -0.12 -0.23 1.00 -2.16 -0.54 0.00 0.00 174.62 172.56 1tru s PRO 75 N -3.39 4.02 -0.04 3.99 0.04 -1.26 -5.02 135.00 133.35 1tru s PRO 75 Ca 0.42 1.26 -0.00 0.00 0.04 0.00 0.00 61.00 62.71 1tru s PRO 75 Cb -0.11 -2.16 0.03 0.00 0.04 0.00 0.00 34.50 32.30 1tru s PRO 75 CO 0.29 -0.23 0.01 0.99 0.04 0.00 0.00 177.00 178.10 1tru s THR 76 N -2.06 0.13 -0.10 1.26 2.01 -0.70 -3.37 115.64 112.82 1tru s THR 76 Ca 0.64 0.16 -0.02 0.00 0.31 0.00 0.00 61.69 62.78 1tru s THR 76 Cb -0.13 -0.27 -0.03 0.00 0.01 0.00 0.00 72.50 72.08 1tru s THR 76 CO 0.17 0.16 -0.00 -0.36 -0.69 0.00 0.00 174.62 173.90 1tru s PHE 77 N 1.33 3.14 -0.00 4.92 0.08 -1.14 -0.55 117.98 125.76 1tru s PHE 77 Ca -0.05 0.13 0.06 0.00 0.12 0.00 0.00 56.93 57.18 1tru s PHE 77 Cb -0.13 -1.82 -0.02 0.00 -0.57 0.00 0.00 43.02 40.48 1tru s PHE 77 CO -0.02 0.39 -0.17 -0.65 -0.10 0.00 0.00 175.22 174.66 1tru s GLN 78 N -0.68 1.37 -0.38 0.44 -0.21 -0.34 -2.28 119.66 117.58 1tru s GLN 78 Ca 0.11 -0.67 -0.09 0.00 0.02 0.00 0.00 55.36 54.73 1tru s GLN 78 Cb -0.12 -1.35 0.05 0.00 1.00 0.00 0.00 33.01 32.60 1tru s GLN 78 CO 0.02 0.36 0.20 -0.06 -2.12 0.00 0.00 175.29 173.70 1tru s PHE 79 N -0.49 3.28 0.21 0.91 0.40 0.78 -0.36 117.98 122.72 1tru s PHE 79 Ca 0.06 -1.29 0.08 0.00 -0.60 0.00 0.00 56.93 55.18 1tru s PHE 79 Cb -0.07 -2.59 -0.04 0.00 0.51 0.00 0.00 43.02 40.83 1tru s PHE 79 CO -0.00 -0.74 0.05 -0.06 0.70 0.00 0.00 175.22 175.17 1tru s PHE 80 N 1.47 2.89 -0.21 0.36 0.08 0.72 -1.00 117.98 122.29 1tru s PHE 80 Ca 0.01 -0.14 -0.12 0.00 0.12 0.00 0.00 56.93 56.80 1tru s PHE 80 Cb -0.21 -1.35 0.06 0.00 -0.57 0.00 0.00 43.02 40.96 1tru s PHE 80 CO 0.04 0.55 0.51 0.21 -0.10 0.00 0.00 175.22 176.43 1tru s LYS 81 N -3.34 0.51 -0.01 0.44 2.20 -0.44 -2.22 119.74 116.88 1tru s LYS 81 Ca 0.30 0.92 0.00 0.00 -0.36 0.00 0.00 55.97 56.83 1tru s LYS 81 Cb -0.08 0.06 0.00 0.00 -1.51 0.00 0.00 37.83 36.30 1tru s LYS 81 CO 0.21 -0.15 0.00 1.63 -0.36 0.00 0.00 175.35 176.68 1tru n LYS 82 N 4.12 -1.99 -0.40 4.03 5.02 -1.25 0.85 118.16 128.54 1tru n LYS 82 Ca -0.21 0.30 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 1tru n LYS 82 Cb 0.57 -4.00 0.00 0.00 -0.02 0.00 0.00 35.03 31.57 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 0.59 1.41 2.91 0.72 0.00 -1.26 -4.97 105.19 104.59 1tru n GLY 83 Ca -0.00 -0.22 -0.23 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 -1.37 1.15 -0.37 1.61 -0.21 0.25 -5.09 119.66 115.64 1tru s GLN 84 Ca 0.00 -0.18 -0.28 0.00 0.02 0.00 0.00 55.36 54.92 1tru s GLN 84 Cb 0.00 -1.16 -0.02 0.00 1.00 0.00 0.00 33.01 32.83 1tru s GLN 84 CO 0.00 -0.13 1.88 0.21 -2.12 0.00 0.00 175.29 175.13 1tru s LYS 85 N 1.19 3.15 -0.26 2.91 2.20 -1.26 -1.33 119.74 126.34 1tru s LYS 85 Ca -0.06 1.36 0.11 0.00 -0.36 0.00 0.00 55.97 57.02 1tru s LYS 85 Cb -0.14 -4.26 0.51 0.00 -1.51 0.00 0.00 37.83 32.43 1tru s LYS 85 CO -0.02 -2.08 1.45 1.33 -0.36 0.00 0.00 175.35 175.67 1tru n VAL 86 N 7.44 2.46 0.00 4.02 0.24 -0.17 -4.99 118.33 127.34 1tru n VAL 86 Ca 0.24 -2.48 0.00 0.00 -2.04 0.00 0.00 64.34 60.06 1tru n VAL 86 Cb 0.48 -0.30 0.00 0.00 -1.47 0.00 0.00 33.84 32.55 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 -0.97 3.41 3.61 7.63 0.00 -1.17 -4.95 105.19 112.75 1tru n GLY 87 Ca 0.30 -0.57 -0.07 0.00 0.00 0.00 0.00 46.02 45.67 1tru n GLY 87 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1tru s GLU 88 N -2.00 0.39 -0.28 1.61 -6.30 -1.26 -0.16 118.70 110.69 1tru s GLU 88 Ca 0.00 0.21 -0.19 0.00 -2.50 0.00 0.00 54.97 52.48 1tru s GLU 88 Cb 0.00 0.19 0.12 0.00 0.00 0.00 0.00 34.13 34.44 1tru s GLU 88 CO 0.00 -0.10 0.93 -0.59 0.02 0.00 0.00 175.26 175.52 1tru s PHE 89 N -0.64 -0.63 -0.14 5.30 -0.12 -0.96 -4.99 117.98 115.79 1tru s PHE 89 Ca 0.03 1.36 -0.05 0.00 -0.05 0.00 0.00 56.93 58.22 1tru s PHE 89 Cb -0.02 0.39 -0.03 0.00 -0.63 0.00 0.00 43.02 42.73 1tru s PHE 89 CO -0.04 -0.31 0.02 -1.54 -0.05 0.00 0.00 175.22 173.29 1tru s SER 90 N 0.98 5.29 0.00 1.98 1.04 -1.26 -2.87 113.70 118.86 1tru s SER 90 Ca -0.05 0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.44 1tru s SER 90 Cb -0.04 -1.76 0.00 0.00 0.10 0.00 0.00 66.02 64.31 1tru s SER 90 CO -0.12 0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.96 1tru n GLY 91 N 3.03 4.01 2.19 7.32 0.00 -1.22 -4.97 105.19 115.55 1tru n GLY 91 Ca -0.18 -0.67 -0.28 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.30 7.02 -3.45 4.61 0.00 -1.26 -4.76 120.51 121.37 1tru n ALA 92 Ca 0.00 -2.80 -0.42 0.00 0.00 0.00 0.00 53.44 50.22 1tru n ALA 92 Cb 0.00 -2.94 -0.03 0.00 0.00 0.00 0.00 19.45 16.48 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 2.12 6.62 0.46 0.00 3.04 -1.26 -4.88 114.94 121.04 1tru s ASN 93 Ca 0.68 -3.31 0.11 0.00 0.04 0.00 0.00 52.86 50.38 1tru s ASN 93 Cb 0.24 -2.10 1.03 0.00 -1.54 0.00 0.00 41.25 38.88 1tru s ASN 93 CO -0.03 -0.35 2.09 0.07 -3.04 0.00 0.00 177.10 175.84 1tru h LYS 94 N 6.84 0.30 0.00 0.43 -0.00 -1.99 -0.91 116.57 121.24 1tru h LYS 94 Ca 0.13 -0.02 -0.07 0.00 -0.00 0.00 0.00 60.65 60.69 1tru h LYS 94 Cb 0.91 -0.07 -0.01 0.00 -0.00 0.00 0.00 32.23 33.07 1tru h LYS 94 CO 0.87 0.21 -0.33 0.93 -0.00 0.00 0.00 179.45 181.12 1tru h GLU 95 N 0.30 0.00 -0.49 0.07 4.39 -2.00 -2.92 114.58 113.94 1tru h GLU 95 Ca 0.08 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.65 1tru h GLU 95 Cb -0.02 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 1tru h GLU 95 CO -0.02 0.33 -0.19 -0.22 -1.16 0.00 0.00 179.01 177.76 1tru h LYS 96 N 0.00 0.99 -1.00 2.33 3.64 -1.57 -2.86 116.57 118.10 1tru h LYS 96 Ca -0.00 -0.41 0.22 0.00 -1.27 0.00 0.00 60.65 59.19 1tru h LYS 96 Cb 0.68 -0.04 -0.10 0.00 -0.41 0.00 0.00 32.23 32.36 1tru h LYS 96 CO 0.04 1.08 0.62 -0.07 -2.27 0.00 0.00 179.45 178.86 1tru h LEU 97 N 0.86 0.62 0.65 5.20 3.38 -1.47 0.20 115.31 124.75 1tru h LEU 97 Ca 0.12 0.09 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 1tru h LEU 97 Cb 0.76 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.50 1tru h LEU 97 CO 0.06 0.19 -0.31 -0.08 0.09 0.00 0.00 178.44 178.39 1tru h GLU 98 N 0.59 -0.84 -1.00 1.13 4.81 -1.61 0.26 114.58 117.92 1tru h GLU 98 Ca 0.57 0.06 0.11 0.00 -0.13 0.00 0.00 59.36 59.97 1tru h GLU 98 Cb 1.14 0.19 -0.08 0.00 0.63 0.00 0.00 28.75 30.63 1tru h GLU 98 CO -0.34 -0.55 0.63 0.00 -0.73 0.00 0.00 179.01 178.03 1tru h ALA 99 N -1.18 1.48 -0.06 2.92 0.00 -1.36 0.11 119.26 121.17 1tru h ALA 99 Ca -0.09 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 1tru h ALA 99 Cb 0.68 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1tru h ALA 99 CO 0.15 0.27 -0.09 1.15 0.00 0.00 0.00 179.25 180.73 1tru h THR 100 N 1.03 1.39 -0.96 0.00 2.02 -0.60 -2.74 112.91 113.05 1tru h THR 100 Ca 0.48 -1.31 0.06 0.00 0.77 0.00 0.00 66.41 66.41 1tru h THR 100 Cb 0.42 2.12 -0.06 0.00 -1.74 0.00 0.00 68.15 68.89 1tru h THR 100 CO -0.25 0.36 0.62 0.40 0.37 0.00 0.00 175.52 177.03 1tru h ILE 101 N -0.29 1.09 0.00 3.11 2.04 0.05 0.50 117.51 124.01 1tru h ILE 101 Ca 0.01 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.48 1tru h ILE 101 Cb 0.63 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.57 1tru h ILE 101 CO 0.02 0.21 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 -0.02 -2.05 115.26 115.51 1tru n ASN 102 Ca 0.14 -0.36 -0.05 0.00 -0.60 0.00 0.00 54.58 53.71 1tru n ASN 102 Cb 0.18 -0.13 -0.04 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 -0.65 1.20 4.81 0.33 -3.35 114.58 116.92 1tru h GLU 103 Ca 0.00 0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 1tru h GLU 103 Cb 0.09 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.45 1tru h GLU 103 CO 0.00 0.33 0.05 1.28 -0.73 0.00 0.00 179.01 179.94 1tru n LEU 104 N -4.71 5.47 0.00 1.64 4.77 -1.18 -5.12 117.00 117.87 1tru n LEU 104 Ca -0.05 -2.79 0.06 0.00 -0.03 0.00 0.00 56.01 53.20 1tru n LEU 104 Cb 0.18 -0.69 0.33 0.00 -2.33 0.00 0.00 43.42 40.92 1tru n LEU 104 CO 0.11 0.63 0.55 0.55 -1.33 0.00 0.00 177.39 177.90