#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tru s VAL 2 N 0.00 0.13 -0.24 3.17 1.01 -1.26 -3.45 120.40 119.76 1tru s VAL 2 Ca 0.00 -1.54 -0.03 0.00 0.00 0.00 0.00 61.98 60.41 1tru s VAL 2 Cb 0.00 -1.68 0.13 0.00 0.00 0.00 0.00 36.38 34.83 1tru s VAL 2 CO 0.00 -0.58 0.38 -0.75 0.00 0.00 0.00 175.10 174.15 1tru s LYS 3 N -3.95 0.34 -0.12 2.72 2.20 -0.91 -4.97 119.74 115.05 1tru s LYS 3 Ca 0.13 0.56 -0.29 0.00 -0.36 0.00 0.00 55.97 56.02 1tru s LYS 3 Cb 0.06 -0.44 -0.01 0.00 -1.51 0.00 0.00 37.83 35.93 1tru s LYS 3 CO -0.05 -0.61 0.98 -1.14 -0.36 0.00 0.00 175.35 174.17 1tru s GLN 4 N 2.54 4.39 -0.42 4.03 0.74 -1.26 -2.41 119.66 127.28 1tru s GLN 4 Ca 0.12 1.32 -0.23 0.00 0.05 0.00 0.00 55.36 56.62 1tru s GLN 4 Cb -0.15 -3.55 0.02 0.00 1.10 0.00 0.00 33.01 30.43 1tru s GLN 4 CO -0.15 -0.33 0.75 0.42 -0.55 0.00 0.00 175.29 175.43 1tru s ILE 5 N 2.10 4.71 -0.48 -2.34 -1.09 -1.14 -4.89 121.20 118.07 1tru s ILE 5 Ca 0.46 0.51 0.23 0.00 -2.23 0.00 0.00 60.65 59.63 1tru s ILE 5 Cb -0.18 -4.26 0.02 0.00 -1.58 0.00 0.00 42.46 36.46 1tru s ILE 5 CO 0.16 -0.60 1.19 -0.33 -1.23 0.00 0.00 174.94 174.13 1tru h GLU 6 N 8.80 0.00 -3.01 2.79 5.08 -1.94 -3.42 114.58 122.88 1tru h GLU 6 Ca -0.25 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.09 1tru h GLU 6 Cb 1.09 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.22 1tru h GLU 6 CO 0.93 0.00 0.20 -1.54 -1.00 0.00 0.00 179.01 177.60 1tru s SER 7 N -4.65 -0.55 0.59 1.42 1.04 -1.26 -4.47 113.70 105.82 1tru s SER 7 Ca 0.03 -0.02 0.29 0.00 0.48 0.00 0.00 55.95 56.73 1tru s SER 7 Cb 0.12 0.60 1.54 0.00 0.10 0.00 0.00 66.02 68.37 1tru s SER 7 CO 0.76 -0.97 1.96 0.50 0.98 0.00 0.00 173.24 176.46 1tru h LYS 8 N 2.01 0.00 0.51 4.02 3.64 -1.92 -1.54 116.57 123.29 1tru h LYS 8 Ca -0.34 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.02 1tru h LYS 8 Cb 1.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.13 1tru h LYS 8 CO 0.38 0.00 -0.25 1.15 -2.27 0.00 0.00 179.45 178.46 1tru h THR 9 N 0.00 0.48 0.00 1.00 2.02 -2.01 -1.83 112.91 112.58 1tru h THR 9 Ca 0.17 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.34 1tru h THR 9 Cb 0.94 0.48 -0.00 0.00 -1.74 0.00 0.00 68.15 67.83 1tru h THR 9 CO -0.00 0.00 -0.05 0.00 0.37 0.00 0.00 175.52 175.83 1tru h ALA 10 N -0.20 1.27 0.08 6.16 0.00 -1.69 -2.74 119.26 122.14 1tru h ALA 10 Ca -0.07 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1tru h ALA 10 Cb 0.54 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.32 1tru h ALA 10 CO 0.11 0.07 -0.04 0.35 0.00 0.00 0.00 179.25 179.74 1tru h PHE 11 N 0.00 -0.11 0.56 0.00 3.57 -1.05 0.34 116.94 120.25 1tru h PHE 11 Ca -0.00 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.47 1tru h PHE 11 Cb 0.19 0.03 0.01 0.00 2.79 0.00 0.00 35.95 38.97 1tru h PHE 11 CO 0.00 0.00 -0.27 1.96 -2.23 0.00 0.00 178.31 177.77 1tru h GLN 12 N -0.19 -0.73 -0.12 1.11 4.20 -1.26 -2.21 115.11 115.92 1tru h GLN 12 Ca -0.01 0.05 0.03 0.00 0.06 0.00 0.00 58.65 58.78 1tru h GLN 12 Cb 0.15 0.16 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 1tru h GLN 12 CO 0.02 -0.42 0.11 0.93 -0.67 0.00 0.00 178.83 178.80 1tru h GLU 13 N -0.96 0.00 -0.30 1.46 4.39 -1.54 -1.42 114.58 116.21 1tru h GLU 13 Ca -0.08 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.49 1tru h GLU 13 Cb 0.64 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.29 1tru h GLU 13 CO 0.13 0.00 -0.34 0.00 -1.16 0.00 0.00 179.01 177.63 1tru h ALA 14 N 1.89 0.45 -0.34 3.43 0.00 0.01 -0.70 119.26 123.98 1tru h ALA 14 Ca 0.06 -0.43 -0.15 0.00 0.00 0.00 0.00 54.91 54.39 1tru h ALA 14 Cb 0.28 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 1tru h ALA 14 CO -0.00 0.51 -0.36 -0.07 0.00 0.00 0.00 179.25 179.33 1tru h LEU 15 N 0.53 0.91 -0.59 0.00 3.38 -0.67 -1.74 115.31 117.13 1tru h LEU 15 Ca 0.04 -0.47 -0.12 0.00 0.09 0.00 0.00 57.88 57.42 1tru h LEU 15 Cb 0.93 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 1tru h LEU 15 CO 0.08 1.20 -0.16 -0.78 0.09 0.00 0.00 178.44 178.87 1tru h ASP 16 N 0.64 0.97 0.85 -0.43 3.58 -1.38 -2.40 116.42 118.26 1tru h ASP 16 Ca 0.05 -0.34 -0.03 0.00 0.42 0.00 0.00 57.03 57.14 1tru h ASP 16 Cb 0.95 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.73 1tru h ASP 16 CO 0.09 1.11 -0.14 0.00 -2.88 0.00 0.00 179.24 177.42 1tru h ALA 17 N 0.97 1.05 -0.43 -0.78 0.00 -1.05 -2.75 119.26 116.26 1tru h ALA 17 Ca 0.12 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1tru h ALA 17 Cb 0.72 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1tru h ALA 17 CO 0.05 0.17 0.15 0.00 0.00 0.00 0.00 179.25 179.63 1tru h ALA 18 N 1.86 1.46 0.00 0.00 0.00 -0.77 -3.48 119.26 118.33 1tru h ALA 18 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1tru h ALA 18 Cb 0.60 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1tru h ALA 18 CO 0.02 0.41 0.00 0.41 0.00 0.00 0.00 179.25 180.09 1tru n GLY 19 N -1.11 0.88 0.48 0.00 0.00 -1.04 -3.45 105.19 100.95 1tru n GLY 19 Ca 0.03 -0.70 0.04 0.00 0.00 0.00 0.00 46.02 45.39 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 6.82 2.62 -4.83 1.61 2.03 -1.26 -3.77 116.55 119.76 1tru n ASP 20 Ca 0.00 -1.94 -0.30 0.00 0.52 0.00 0.00 54.79 53.07 1tru n ASP 20 Cb 0.00 -0.16 0.07 0.00 -0.72 0.00 0.00 41.12 40.31 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 2.45 0.80 -0.67 1.02 -1.22 -4.82 119.74 116.32 1tru s LYS 21 Ca 0.17 0.64 -0.12 0.00 0.02 0.00 0.00 55.97 56.68 1tru s LYS 21 Cb 0.09 -1.96 0.08 0.00 -0.52 0.00 0.00 37.83 35.52 1tru s LYS 21 CO 0.12 -1.37 1.15 -1.17 -0.92 0.00 0.00 175.35 173.17 1tru s LEU 22 N -5.62 3.10 -0.32 3.17 0.20 -1.26 -4.57 118.68 113.38 1tru s LEU 22 Ca 0.60 2.16 0.01 0.00 0.69 0.00 0.00 54.13 57.59 1tru s LEU 22 Cb -0.13 -4.56 0.14 0.00 -0.43 0.00 0.00 46.19 41.20 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 -2.43 -0.35 -0.27 1.68 1.01 -0.96 -3.40 120.40 115.67 1tru s VAL 23 Ca 0.68 -0.74 -0.11 0.00 0.00 0.00 0.00 61.98 61.82 1tru s VAL 23 Cb -0.24 -0.87 -0.05 0.00 0.00 0.00 0.00 36.38 35.22 1tru s VAL 23 CO 0.51 -0.54 0.18 -0.69 0.00 0.00 0.00 175.10 174.57 1tru s VAL 24 N 1.95 5.32 0.08 2.92 1.01 -1.03 -0.20 120.40 130.44 1tru s VAL 24 Ca 0.13 0.18 -0.05 0.00 0.00 0.00 0.00 61.98 62.23 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 0.28 0.32 -0.69 0.00 0.00 0.00 175.10 174.80 1tru s VAL 25 N 1.56 5.24 -0.19 2.92 1.01 0.26 -2.51 120.40 128.69 1tru s VAL 25 Ca 0.07 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.10 1tru s VAL 25 Cb -0.15 -3.61 0.04 0.00 0.00 0.00 0.00 36.38 32.66 1tru s VAL 25 CO 0.09 0.18 -0.08 -0.62 0.00 0.00 0.00 175.10 174.67 1tru s ASP 26 N -2.16 3.24 -0.41 3.32 2.15 -0.85 -1.68 116.67 120.28 1tru s ASP 26 Ca 0.35 -0.84 -0.15 0.00 0.43 0.00 0.00 52.55 52.34 1tru s ASP 26 Cb -0.13 -1.10 0.02 0.00 -0.30 0.00 0.00 42.92 41.41 1tru s ASP 26 CO 0.22 -0.17 0.30 -0.36 -0.17 0.00 0.00 175.17 174.98 1tru s PHE 27 N 1.49 3.24 0.16 -5.34 0.08 0.26 -3.00 117.98 114.86 1tru s PHE 27 Ca -0.01 -0.57 -0.04 0.00 0.12 0.00 0.00 56.93 56.43 1tru s PHE 27 Cb -0.16 -2.58 -0.03 0.00 -0.57 0.00 0.00 43.02 39.68 1tru s PHE 27 CO -0.08 -0.58 0.16 -1.54 -0.10 0.00 0.00 175.22 173.08 1tru s SER 28 N 1.68 0.18 -0.60 1.36 1.04 -1.23 -1.64 113.70 114.49 1tru s SER 28 Ca 0.05 -1.12 -0.19 0.00 0.48 0.00 0.00 55.95 55.16 1tru s SER 28 Cb -0.19 0.37 0.10 0.00 0.10 0.00 0.00 66.02 66.40 1tru s SER 28 CO 0.10 -0.82 0.74 0.00 0.98 0.00 0.00 173.24 174.24 1tru s ALA 29 N -4.04 3.39 0.55 5.32 0.00 -1.26 -3.11 121.76 122.60 1tru s ALA 29 Ca 0.25 -2.20 0.26 0.00 0.00 0.00 0.00 51.96 50.26 1tru s ALA 29 Cb 0.06 -3.57 1.45 0.00 0.00 0.00 0.00 23.12 21.06 1tru s ALA 29 CO 0.03 -2.40 2.01 0.00 0.00 0.00 0.00 175.76 175.40 1tru h THR 30 N 5.92 0.65 0.00 0.00 1.03 -1.95 0.24 112.91 118.80 1tru h THR 30 Ca -0.29 0.00 -0.18 0.00 -0.01 0.00 0.00 66.41 65.93 1tru h THR 30 Cb 1.08 0.76 -0.02 0.00 -1.07 0.00 0.00 68.15 68.90 1tru h THR 30 CO 1.11 0.00 -0.84 4.11 -0.01 0.00 0.00 175.52 179.89 1tru h TRP 31 N 0.00 0.11 -3.77 0.00 5.08 -2.02 -3.45 115.95 111.89 1tru h TRP 31 Ca 0.20 -0.06 -0.47 0.00 1.08 0.00 0.00 58.89 59.64 1tru h TRP 31 Cb 0.87 -0.01 0.19 0.00 -3.00 0.00 0.00 29.16 27.20 1tru h TRP 31 CO 0.00 0.87 0.14 0.00 -1.28 0.00 0.00 178.44 178.17 1tru n GLY 33 N 0.05 -0.35 0.35 0.00 0.00 -1.26 -4.00 105.19 99.98 1tru n GLY 33 Ca 0.06 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.25 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 0.05 1.61 0.11 -1.96 -0.09 132.00 131.72 1tru h PRO 34 Ca 0.00 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.03 1tru h PRO 34 Cb 0.00 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.12 1tru h PRO 34 CO 0.00 0.00 -0.39 0.00 -0.21 0.00 0.00 178.00 177.40 1tru n LYS 36 N -4.41 0.08 0.24 0.00 4.81 -0.13 -2.20 118.16 116.54 1tru n LYS 36 Ca -0.13 0.25 0.16 0.00 -0.87 0.00 0.00 58.31 57.72 1tru n LYS 36 Cb 0.62 -1.50 0.66 0.00 0.02 0.00 0.00 35.03 34.83 1tru n LYS 36 CO 0.00 0.00 0.00 1.98 1.17 0.00 0.00 177.40 180.55 1tru h MET 37 N 0.00 0.00 -0.90 1.64 4.05 -1.32 -2.76 114.93 115.64 1tru h MET 37 Ca 0.00 0.00 -0.26 0.00 -0.28 0.00 0.00 59.70 59.16 1tru h MET 37 Cb 0.13 0.00 -0.15 0.00 -0.80 0.00 0.00 31.60 30.78 1tru h MET 37 CO 0.00 0.00 0.33 -0.89 0.23 0.00 0.00 176.91 176.58 1tru n ILE 38 N -2.84 2.43 0.04 1.77 5.41 -0.93 -4.29 119.36 120.94 1tru n ILE 38 Ca 0.01 -1.28 0.01 0.00 1.00 0.00 0.00 62.75 62.48 1tru n ILE 38 Cb 0.27 -0.53 -0.08 0.00 -0.71 0.00 0.00 39.64 38.60 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 1.42 0.00 0.00 0.38 2.10 -1.72 -3.26 116.57 115.48 1tru h LYS 39 Ca 0.32 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.97 1tru h LYS 39 Cb 2.12 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.45 1tru h LYS 39 CO 0.67 0.27 0.00 -0.35 -2.00 0.00 0.00 179.45 178.04 1tru n PRO 40 N -2.88 0.66 0.00 0.07 -0.04 -1.26 -2.72 135.00 128.83 1tru n PRO 40 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1tru n PRO 40 Cb 0.82 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 33.00 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 -0.78 0.00 0.38 0.54 3.72 -1.25 -4.36 117.46 115.71 1tru n PHE 41 Ca 0.09 0.00 -0.15 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 -0.96 0.00 1.38 3.57 -1.68 -1.78 116.94 117.47 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 -0.58 0.00 1.58 -2.23 0.00 0.00 178.31 177.08 1tru n HIS 43 N -4.73 0.00 0.03 0.41 -0.00 -1.10 -2.08 115.22 107.74 1tru n HIS 43 Ca -0.12 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.04 1tru n HIS 43 Cb 0.40 -0.19 -0.09 0.00 -0.12 0.00 0.00 29.99 29.99 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 0.00 0.26 0.87 -1.28 -3.31 113.55 110.10 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 0.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1tru h SER 44 CO 0.00 0.66 0.00 0.18 -0.53 0.00 0.00 176.83 177.14 1tru n LEU 45 N -2.94 0.00 -0.22 2.23 4.77 -0.88 -1.93 117.00 118.03 1tru n LEU 45 Ca -0.10 0.43 0.05 0.00 -0.03 0.00 0.00 56.01 56.36 1tru n LEU 45 Cb 0.88 -0.43 0.31 0.00 -2.33 0.00 0.00 43.42 41.84 1tru n LEU 45 CO 0.43 -0.43 1.23 0.28 -1.33 0.00 0.00 177.39 177.57 1tru h SER 46 N 0.00 0.75 0.98 -1.43 0.02 -1.76 0.48 113.55 112.59 1tru h SER 46 Ca 0.00 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 60.88 1tru h SER 46 Cb 0.00 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 1tru h SER 46 CO 0.00 0.49 -1.06 -0.33 -1.14 0.00 0.00 176.83 174.79 1tru h GLU 47 N 0.86 0.00 0.00 3.45 4.39 -1.69 -3.36 114.58 118.24 1tru h GLU 47 Ca 0.33 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.98 1tru h GLU 47 Cb 0.19 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 1tru h GLU 47 CO -0.11 0.14 -0.38 -0.22 -1.16 0.00 0.00 179.01 177.28 1tru h LYS 48 N 0.00 0.00 -3.60 2.33 1.63 -1.38 -3.42 116.57 112.13 1tru h LYS 48 Ca -0.06 0.00 -0.72 0.00 -0.85 0.00 0.00 60.65 59.02 1tru h LYS 48 Cb 1.25 0.00 -0.33 0.00 -0.60 0.00 0.00 32.23 32.55 1tru h LYS 48 CO 0.02 0.41 -0.23 0.71 -3.45 0.00 0.00 179.45 176.91 1tru s TYR 49 N -2.04 3.52 -1.34 1.91 2.02 0.16 -4.89 117.35 116.68 1tru s TYR 49 Ca -0.14 -2.58 0.18 0.00 -0.37 0.00 0.00 57.07 54.16 1tru s TYR 49 Cb 0.01 -3.35 0.87 0.00 -0.40 0.00 0.00 41.96 39.10 1tru s TYR 49 CO 0.33 -0.87 1.54 -1.13 -1.57 0.00 0.00 175.55 173.85 1tru n SER 50 N 3.48 0.00 -2.18 2.29 3.41 -1.26 -2.83 113.62 116.53 1tru n SER 50 Ca 0.10 0.12 -0.22 0.00 -0.26 0.00 0.00 58.87 58.62 1tru n SER 50 Cb 0.40 -0.33 0.19 0.00 -0.26 0.00 0.00 64.21 64.21 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 -1.33 3.77 -4.03 4.04 5.15 -1.26 -4.33 115.26 117.28 1tru n ASN 51 Ca 0.08 -3.59 -0.21 0.00 -0.60 0.00 0.00 54.58 50.25 1tru n ASN 51 Cb 0.15 -0.83 -0.15 0.00 -0.53 0.00 0.00 39.78 38.42 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 -3.28 0.89 -0.37 3.44 1.01 -1.13 -4.71 120.40 116.25 1tru s VAL 52 Ca 0.56 -0.43 -0.15 0.00 0.00 0.00 0.00 61.98 61.96 1tru s VAL 52 Cb 0.48 -0.78 -0.00 0.00 0.00 0.00 0.00 36.38 36.08 1tru s VAL 52 CO 0.11 0.27 0.35 -0.63 0.00 0.00 0.00 175.10 175.20 1tru s ILE 53 N 0.09 5.18 -0.20 2.22 -1.09 -1.22 -3.62 121.20 122.56 1tru s ILE 53 Ca -0.02 -0.16 -0.06 0.00 -2.23 0.00 0.00 60.65 58.17 1tru s ILE 53 Cb -0.08 -3.87 -0.03 0.00 -1.58 0.00 0.00 42.46 36.90 1tru s ILE 53 CO 0.01 -0.18 0.04 -0.36 -1.23 0.00 0.00 174.94 173.21 1tru s PHE 54 N 1.96 3.12 -0.14 3.97 0.08 -1.22 -2.47 117.98 123.28 1tru s PHE 54 Ca 0.10 -0.22 -0.05 0.00 0.12 0.00 0.00 56.93 56.88 1tru s PHE 54 Cb -0.17 -2.11 -0.04 0.00 -0.57 0.00 0.00 43.02 40.13 1tru s PHE 54 CO 0.12 -0.10 0.03 -0.51 -0.10 0.00 0.00 175.22 174.65 1tru s LEU 55 N 0.86 3.66 -0.34 -0.37 1.02 -1.04 -2.14 118.68 120.33 1tru s LEU 55 Ca 0.02 0.08 -0.03 0.00 0.02 0.00 0.00 54.13 54.22 1tru s LEU 55 Cb -0.14 -1.89 0.06 0.00 0.02 0.00 0.00 46.19 44.25 1tru s LEU 55 CO 0.02 0.25 0.08 -0.70 0.02 0.00 0.00 176.35 176.02 1tru s GLU 56 N -0.12 2.38 -0.14 1.70 2.12 -1.01 -2.01 118.70 121.62 1tru s GLU 56 Ca 0.05 -1.38 -0.04 0.00 0.36 0.00 0.00 54.97 53.96 1tru s GLU 56 Cb -0.12 -3.35 -0.03 0.00 0.26 0.00 0.00 34.13 30.88 1tru s GLU 56 CO 0.02 -0.74 -0.00 0.08 -0.54 0.00 0.00 175.26 174.07 1tru s VAL 57 N 1.26 4.23 -0.36 3.70 1.01 -1.16 -2.86 120.40 126.21 1tru s VAL 57 Ca -0.01 -0.25 -0.17 0.00 0.00 0.00 0.00 61.98 61.55 1tru s VAL 57 Cb -0.20 -2.84 -0.00 0.00 0.00 0.00 0.00 36.38 33.33 1tru s VAL 57 CO -0.01 0.52 0.43 -0.62 0.00 0.00 0.00 175.10 175.42 1tru s ASP 58 N -0.03 6.23 0.00 3.32 2.15 -1.26 -3.55 116.67 123.53 1tru s ASP 58 Ca 0.03 -0.24 0.02 0.00 0.43 0.00 0.00 52.55 52.79 1tru s ASP 58 Cb -0.13 -2.23 0.09 0.00 -0.30 0.00 0.00 42.92 40.36 1tru s ASP 58 CO 0.02 -0.43 0.35 1.33 -0.17 0.00 0.00 175.17 176.27 1tru n VAL 59 N 5.34 0.00 -0.05 1.11 0.24 -1.18 -1.01 118.33 122.79 1tru n VAL 59 Ca -0.07 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.16 1tru n VAL 59 Cb 0.49 -0.62 -0.05 0.00 -1.47 0.00 0.00 33.84 32.20 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 -0.68 3.24 -0.01 -1.34 9.92 -1.26 -4.40 116.55 122.01 1tru n ASP 60 Ca 0.01 -0.05 -0.22 0.00 -0.53 0.00 0.00 54.79 54.01 1tru n ASP 60 Cb 0.01 -0.06 -0.14 0.00 -0.64 0.00 0.00 41.12 40.29 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 0.35 -2.07 -2.24 3.58 -1.80 -3.38 116.42 110.86 1tru h ASP 61 Ca -0.21 -0.83 -0.76 0.00 0.42 0.00 0.00 57.03 55.64 1tru h ASP 61 Cb 1.35 -0.11 -0.29 0.00 1.72 0.00 0.00 39.33 41.99 1tru h ASP 61 CO -0.03 1.68 0.81 0.00 -2.88 0.00 0.00 179.24 178.82 1tru n ALA 62 N -3.04 6.14 0.15 -0.78 0.00 -0.18 -4.73 120.51 118.07 1tru n ALA 62 Ca -0.28 -4.35 0.10 0.00 0.00 0.00 0.00 53.44 48.91 1tru n ALA 62 Cb 0.92 -1.87 0.52 0.00 0.00 0.00 0.00 19.45 19.01 1tru n ALA 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1tru n GLN 63 N -0.34 0.12 -0.05 0.00 6.02 -1.26 -1.23 117.38 120.64 1tru n GLN 63 Ca 0.49 0.62 -0.16 0.00 -0.01 0.00 0.00 57.00 57.94 1tru n GLN 63 Cb 0.29 -1.94 -0.06 0.00 1.02 0.00 0.00 30.24 29.54 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 0.94 0.30 1.08 2.03 -1.94 -1.04 116.42 117.80 1tru h ASP 64 Ca 0.00 -0.58 -0.21 0.00 -0.73 0.00 0.00 57.03 55.52 1tru h ASP 64 Cb 0.08 -0.27 -0.00 0.00 -0.83 0.00 0.00 39.33 38.30 1tru h ASP 64 CO 0.00 1.35 -0.85 0.58 -1.03 0.00 0.00 179.24 179.29 1tru h VAL 65 N 0.58 1.39 -0.26 4.15 2.07 -1.55 -2.56 116.25 120.07 1tru h VAL 65 Ca -0.01 -2.32 -0.09 0.00 0.82 0.00 0.00 66.70 65.09 1tru h VAL 65 Cb 1.25 2.28 -0.01 0.00 -1.52 0.00 0.00 31.29 33.29 1tru h VAL 65 CO 0.13 0.69 -0.24 0.00 0.02 0.00 0.00 177.57 178.18 1tru h ALA 66 N 0.83 1.10 0.32 1.67 0.00 -1.43 0.14 119.26 121.89 1tru h ALA 66 Ca -0.06 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1tru h ALA 66 Cb 1.46 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.13 1tru h ALA 66 CO 0.15 0.56 -0.16 0.66 0.00 0.00 0.00 179.25 180.46 1tru h SER 67 N 0.44 -0.37 -0.19 0.00 4.64 -1.12 -2.27 113.55 114.69 1tru h SER 67 Ca 0.07 -0.17 -0.03 0.00 -0.47 0.00 0.00 61.79 61.19 1tru h SER 67 Cb 0.66 0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.83 1tru h SER 67 CO 0.05 0.08 0.05 -0.08 -0.87 0.00 0.00 176.83 176.05 1tru h GLU 68 N -0.93 0.39 0.00 4.77 4.22 -1.46 0.25 114.58 121.83 1tru h GLU 68 Ca -0.04 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.34 1tru h GLU 68 Cb 0.52 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1tru h GLU 68 CO 0.07 0.38 0.00 0.00 -2.18 0.00 0.00 179.01 177.28 1tru n ALA 69 N -2.49 2.12 -3.41 2.92 0.00 0.50 -4.86 120.51 115.29 1tru n ALA 69 Ca 0.01 -0.10 -0.25 0.00 0.00 0.00 0.00 53.44 53.10 1tru n ALA 69 Cb 0.17 -1.35 0.02 0.00 0.00 0.00 0.00 19.45 18.29 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 -4.40 -2.79 0.00 1.02 0.08 -4.88 120.64 108.40 1tru n GLU 70 Ca 0.10 0.63 -0.43 0.00 -0.02 0.00 0.00 57.16 57.45 1tru n GLU 70 Cb 0.17 -5.43 -0.04 0.00 -0.02 0.00 0.00 31.44 26.12 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 -3.09 4.25 -0.20 2.62 1.01 -0.90 -4.81 120.40 119.27 1tru s VAL 71 Ca 0.44 0.14 0.15 0.00 0.00 0.00 0.00 61.98 62.71 1tru s VAL 71 Cb -0.22 -4.65 0.33 0.00 0.00 0.00 0.00 36.38 31.83 1tru s VAL 71 CO 0.55 -1.35 1.23 0.29 0.00 0.00 0.00 175.10 175.82 1tru n LYS 72 N 7.88 2.20 -3.31 2.72 5.02 -1.26 -4.87 118.16 126.54 1tru n LYS 72 Ca 0.01 -2.46 -0.11 0.00 -2.02 0.00 0.00 58.31 53.72 1tru n LYS 72 Cb 0.47 -1.52 -0.06 0.00 -0.02 0.00 0.00 35.03 33.90 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 -2.42 -1.07 0.22 7.82 0.00 -1.26 -5.15 121.76 119.90 1tru s ALA 73 Ca 0.30 -0.34 -0.02 0.00 0.00 0.00 0.00 51.96 51.90 1tru s ALA 73 Cb 0.25 -2.19 -0.05 0.00 0.00 0.00 0.00 23.12 21.13 1tru s ALA 73 CO 0.06 -2.02 0.43 0.95 0.00 0.00 0.00 175.76 175.18 1tru s THR 74 N 1.90 5.16 0.54 0.00 -4.23 -1.26 -4.10 115.64 113.64 1tru s THR 74 Ca 0.14 -0.24 -0.17 0.00 -1.18 0.00 0.00 61.69 60.24 1tru s THR 74 Cb -0.12 -3.73 -0.06 0.00 1.34 0.00 0.00 72.50 69.93 1tru s THR 74 CO -0.14 -0.20 1.02 -2.16 -0.54 0.00 0.00 174.62 172.60 1tru s PRO 75 N -3.35 3.68 0.01 3.99 0.04 -1.26 -5.02 135.00 133.10 1tru s PRO 75 Ca 0.40 1.10 0.01 0.00 0.04 0.00 0.00 61.00 62.55 1tru s PRO 75 Cb -0.11 -2.09 -0.01 0.00 0.04 0.00 0.00 34.50 32.33 1tru s PRO 75 CO 0.29 -0.50 -0.03 0.99 0.04 0.00 0.00 177.00 177.79 1tru s THR 76 N -2.48 0.19 -0.12 1.26 2.01 -0.65 -3.42 115.64 112.43 1tru s THR 76 Ca 0.62 -0.37 0.01 0.00 0.31 0.00 0.00 61.69 62.26 1tru s THR 76 Cb -0.13 -0.21 0.02 0.00 0.01 0.00 0.00 72.50 72.18 1tru s THR 76 CO 0.32 -0.12 -0.15 -0.36 -0.69 0.00 0.00 174.62 173.62 1tru s PHE 77 N -0.49 2.03 0.08 4.92 0.08 -1.11 -0.58 117.98 122.92 1tru s PHE 77 Ca -0.04 -1.00 0.08 0.00 0.12 0.00 0.00 56.93 56.09 1tru s PHE 77 Cb -0.04 -1.47 -0.04 0.00 -0.57 0.00 0.00 43.02 40.90 1tru s PHE 77 CO -0.00 -0.53 -0.17 -0.65 -0.10 0.00 0.00 175.22 173.77 1tru s GLN 78 N 1.11 1.95 -0.32 0.44 -0.21 -0.68 -1.75 119.66 120.21 1tru s GLN 78 Ca -0.04 -1.08 -0.04 0.00 0.02 0.00 0.00 55.36 54.23 1tru s GLN 78 Cb -0.14 -2.17 0.05 0.00 1.00 0.00 0.00 33.01 31.74 1tru s GLN 78 CO -0.04 0.51 0.04 -0.06 -2.12 0.00 0.00 175.29 173.62 1tru s PHE 79 N -1.07 3.27 0.26 0.91 0.40 0.91 -0.57 117.98 122.09 1tru s PHE 79 Ca 0.17 -1.71 0.08 0.00 -0.60 0.00 0.00 56.93 54.87 1tru s PHE 79 Cb -0.11 -2.19 -0.04 0.00 0.51 0.00 0.00 43.02 41.19 1tru s PHE 79 CO 0.09 -0.78 0.10 -0.06 0.70 0.00 0.00 175.22 175.27 1tru s PHE 80 N 1.31 2.91 -0.21 0.36 0.08 0.71 -1.35 117.98 121.79 1tru s PHE 80 Ca -0.04 -0.17 -0.11 0.00 0.12 0.00 0.00 56.93 56.73 1tru s PHE 80 Cb -0.20 -1.30 0.07 0.00 -0.57 0.00 0.00 43.02 41.02 1tru s PHE 80 CO 0.00 0.57 0.50 0.21 -0.10 0.00 0.00 175.22 176.41 1tru s LYS 81 N -3.76 0.50 -0.90 0.44 2.20 -0.23 -2.27 119.74 115.71 1tru s LYS 81 Ca 0.32 0.94 0.00 0.00 -0.36 0.00 0.00 55.97 56.87 1tru s LYS 81 Cb -0.07 0.04 0.00 0.00 -1.51 0.00 0.00 37.83 36.29 1tru s LYS 81 CO 0.22 -0.16 0.00 1.63 -0.36 0.00 0.00 175.35 176.69 1tru n LYS 82 N 4.31 -1.53 -1.11 4.03 5.02 -1.25 0.80 118.16 128.43 1tru n LYS 82 Ca -0.22 0.60 0.00 0.00 -2.02 0.00 0.00 58.31 56.67 1tru n LYS 82 Cb 0.56 -4.67 0.00 0.00 -0.02 0.00 0.00 35.03 30.91 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 0.06 0.95 2.92 0.72 0.00 -1.26 -4.96 105.19 103.61 1tru n GLY 83 Ca -0.08 -0.56 -0.22 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.55 1.12 -0.08 1.61 -0.21 0.24 -5.10 119.66 114.69 1tru s GLN 84 Ca 0.00 -0.18 -0.30 0.00 0.02 0.00 0.00 55.36 54.90 1tru s GLN 84 Cb 0.00 -1.09 -0.05 0.00 1.00 0.00 0.00 33.01 32.87 1tru s GLN 84 CO 0.00 -0.10 1.68 0.21 -2.12 0.00 0.00 175.29 174.96 1tru s LYS 85 N 1.06 4.09 0.00 2.91 2.20 -1.26 -1.07 119.74 127.67 1tru s LYS 85 Ca -0.08 2.13 0.08 0.00 -0.36 0.00 0.00 55.97 57.74 1tru s LYS 85 Cb -0.14 -4.01 -0.05 0.00 -1.51 0.00 0.00 37.83 32.11 1tru s LYS 85 CO -0.01 -0.95 0.44 1.33 -0.36 0.00 0.00 175.35 175.80 1tru n VAL 86 N 5.68 0.00 0.00 4.02 0.24 -0.46 -4.96 118.33 122.86 1tru n VAL 86 Ca 0.18 -0.35 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 1tru n VAL 86 Cb 0.43 1.04 0.00 0.00 -1.47 0.00 0.00 33.84 33.84 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 1.03 0.94 3.55 7.63 0.00 -1.14 -5.02 105.19 112.19 1tru n GLY 87 Ca 0.02 -0.73 -0.07 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.00 0.58 -0.29 1.61 1.03 -1.26 -0.06 118.70 118.31 1tru s GLU 88 Ca 0.00 -0.13 -0.18 0.00 0.03 0.00 0.00 54.97 54.69 1tru s GLU 88 Cb 0.00 0.27 0.12 0.00 -0.80 0.00 0.00 34.13 33.72 1tru s GLU 88 CO 0.00 -0.24 0.91 -0.59 -1.33 0.00 0.00 175.26 174.01 1tru s PHE 89 N -2.34 -0.67 -0.12 4.83 -0.12 -0.72 -4.99 117.98 113.84 1tru s PHE 89 Ca 0.05 1.40 -0.04 0.00 -0.05 0.00 0.00 56.93 58.29 1tru s PHE 89 Cb -0.01 0.41 -0.03 0.00 -0.63 0.00 0.00 43.02 42.76 1tru s PHE 89 CO -0.05 -0.33 0.03 -1.54 -0.05 0.00 0.00 175.22 173.27 1tru s SER 90 N 1.15 5.39 0.00 1.98 1.04 -1.26 -2.75 113.70 119.25 1tru s SER 90 Ca -0.07 0.12 0.00 0.00 0.48 0.00 0.00 55.95 56.48 1tru s SER 90 Cb -0.04 -1.71 0.00 0.00 0.10 0.00 0.00 66.02 64.37 1tru s SER 90 CO -0.14 0.30 0.00 0.61 0.98 0.00 0.00 173.24 174.99 1tru n GLY 91 N 2.70 3.89 2.04 7.32 0.00 -1.22 -4.96 105.19 114.96 1tru n GLY 91 Ca -0.18 -0.77 -0.16 0.00 0.00 0.00 0.00 46.02 44.91 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 6.53 -3.24 4.61 0.00 -1.26 -4.69 120.51 121.16 1tru n ALA 92 Ca 0.00 -2.06 -0.41 0.00 0.00 0.00 0.00 53.44 50.98 1tru n ALA 92 Cb 0.00 -2.45 -0.01 0.00 0.00 0.00 0.00 19.45 16.99 1tru n ALA 92 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1tru n ASN 93 N 2.61 5.58 0.07 0.00 4.05 -1.26 -4.84 115.26 121.46 1tru n ASN 93 Ca 0.48 -3.27 0.14 0.00 0.45 0.00 0.00 54.58 52.37 1tru n ASN 93 Cb 0.83 -1.21 0.62 0.00 1.23 0.00 0.00 39.78 41.25 1tru n ASN 93 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 177.26 174.28 1tru h LYS 94 N 5.73 0.12 0.00 1.20 2.10 -1.98 0.14 116.57 123.88 1tru h LYS 94 Ca 0.19 -0.01 -0.05 0.00 -2.00 0.00 0.00 60.65 58.78 1tru h LYS 94 Cb 0.72 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.02 1tru h LYS 94 CO 1.13 0.08 -0.25 0.93 -2.00 0.00 0.00 179.45 179.33 1tru h GLU 95 N 0.12 0.00 -0.27 0.07 5.08 -1.99 -2.68 114.58 114.92 1tru h GLU 95 Ca 0.17 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.42 1tru h GLU 95 Cb 0.52 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1tru h GLU 95 CO -0.02 0.25 -0.30 -0.22 -1.00 0.00 0.00 179.01 177.72 1tru h LYS 96 N 0.00 0.54 -1.02 2.33 3.64 -1.11 -2.87 116.57 118.08 1tru h LYS 96 Ca -0.00 -0.23 0.25 0.00 -1.27 0.00 0.00 60.65 59.40 1tru h LYS 96 Cb 0.59 -0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 32.30 1tru h LYS 96 CO 0.03 0.78 0.65 -0.07 -2.27 0.00 0.00 179.45 178.58 1tru h LEU 97 N 0.47 0.48 0.60 5.20 3.38 -1.46 0.11 115.31 124.09 1tru h LEU 97 Ca 0.06 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 1tru h LEU 97 Cb 0.76 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.51 1tru h LEU 97 CO 0.06 0.11 -0.29 -0.08 0.09 0.00 0.00 178.44 178.33 1tru h GLU 98 N 0.43 -0.78 -0.92 1.13 4.81 -1.65 0.22 114.58 117.83 1tru h GLU 98 Ca 0.58 0.05 0.12 0.00 -0.13 0.00 0.00 59.36 59.99 1tru h GLU 98 Cb 1.41 0.18 -0.07 0.00 0.63 0.00 0.00 28.75 30.89 1tru h GLU 98 CO -0.30 -0.52 0.59 0.00 -0.73 0.00 0.00 179.01 178.05 1tru h ALA 99 N -1.35 1.69 -0.01 2.92 0.00 -1.47 -0.49 119.26 120.55 1tru h ALA 99 Ca -0.08 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1tru h ALA 99 Cb 0.62 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1tru h ALA 99 CO 0.14 0.08 -0.02 1.15 0.00 0.00 0.00 179.25 180.60 1tru h THR 100 N 0.83 1.44 -0.90 0.00 2.02 -0.77 -2.73 112.91 112.79 1tru h THR 100 Ca 0.45 -1.32 0.07 0.00 0.77 0.00 0.00 66.41 66.37 1tru h THR 100 Cb 0.56 2.31 -0.07 0.00 -1.74 0.00 0.00 68.15 69.21 1tru h THR 100 CO -0.21 0.35 0.56 0.40 0.37 0.00 0.00 175.52 176.99 1tru h ILE 101 N -0.51 1.04 0.00 3.11 2.04 -0.02 0.46 117.51 123.63 1tru h ILE 101 Ca 0.00 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1tru h ILE 101 Cb 0.58 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1tru h ILE 101 CO 0.00 0.18 0.00 -3.20 0.00 0.00 0.00 178.15 175.14 1tru n ASN 102 N -4.60 0.00 -0.06 1.72 5.15 -0.24 -2.24 115.26 114.99 1tru n ASN 102 Ca 0.14 -0.51 -0.05 0.00 -0.60 0.00 0.00 54.58 53.56 1tru n ASN 102 Cb 0.20 -0.07 -0.04 0.00 -0.53 0.00 0.00 39.78 39.34 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 -0.64 1.20 4.81 0.26 -3.35 114.58 116.86 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 0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1tru h GLU 103 CO 0.00 0.29 0.00 1.28 -0.73 0.00 0.00 179.01 179.85 1tru n LEU 104 N -4.71 4.78 0.00 1.64 4.77 -1.19 -5.12 117.00 117.17 1tru n LEU 104 Ca -0.04 -2.42 0.06 0.00 -0.03 0.00 0.00 56.01 53.57 1tru n LEU 104 Cb 0.16 -0.62 0.33 0.00 -2.33 0.00 0.00 43.42 40.97 1tru n LEU 104 CO 0.10 0.63 0.55 0.55 -1.33 0.00 0.00 177.39 177.89