#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1trv s VAL 2 N 0.00 0.03 -0.16 3.17 1.01 -1.26 -4.16 120.40 119.03 1trv s VAL 2 Ca 0.00 -2.00 -0.06 0.00 0.00 0.00 0.00 61.98 59.92 1trv s VAL 2 Cb 0.00 -2.49 0.08 0.00 0.00 0.00 0.00 36.38 33.97 1trv s VAL 2 CO 0.00 0.00 0.34 -0.75 0.00 0.00 0.00 175.10 174.69 1trv s LYS 3 N -3.53 0.24 -0.09 2.72 2.20 -1.15 -5.00 119.74 115.13 1trv s LYS 3 Ca 0.40 0.89 -0.30 0.00 -0.36 0.00 0.00 55.97 56.60 1trv s LYS 3 Cb 0.03 0.15 -0.01 0.00 -1.51 0.00 0.00 37.83 36.48 1trv s LYS 3 CO 0.25 -0.26 1.01 -1.14 -0.36 0.00 0.00 175.35 174.85 1trv s GLN 4 N 2.47 4.44 -0.24 4.03 0.74 -1.26 -1.35 119.66 128.49 1trv s GLN 4 Ca -0.01 1.40 -0.17 0.00 0.05 0.00 0.00 55.36 56.63 1trv s GLN 4 Cb -0.12 -3.53 -0.03 0.00 1.10 0.00 0.00 33.01 30.43 1trv s GLN 4 CO -0.11 -0.28 0.47 0.42 -0.55 0.00 0.00 175.29 175.24 1trv s ILE 5 N 1.89 5.12 -0.12 -2.34 -1.09 -0.68 -4.93 121.20 119.05 1trv s ILE 5 Ca 0.49 0.81 0.17 0.00 -2.23 0.00 0.00 60.65 59.88 1trv s ILE 5 Cb -0.19 -3.79 -0.19 0.00 -1.58 0.00 0.00 42.46 36.72 1trv s ILE 5 CO 0.19 0.15 0.63 -0.62 -1.23 0.00 0.00 174.94 174.06 1trv n GLU 6 N 5.13 0.64 -0.20 2.79 1.02 -1.26 -4.46 120.64 124.30 1trv n GLU 6 Ca -0.06 0.15 0.00 0.00 -0.02 0.00 0.00 57.16 57.23 1trv n GLU 6 Cb 0.50 -1.73 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 1trv n GLU 6 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1trv n SER 7 N -2.82 0.00 0.13 1.62 3.41 -1.26 -4.25 113.62 110.45 1trv n SER 7 Ca -0.14 -0.19 0.03 0.00 -0.26 0.00 0.00 58.87 58.31 1trv n SER 7 Cb 0.90 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.87 1trv n SER 7 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 1trv h LYS 8 N 0.00 0.00 -0.06 4.33 3.64 -1.94 -3.15 116.57 119.39 1trv h LYS 8 Ca 0.00 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1trv h LYS 8 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 1trv h LYS 8 CO 0.00 0.44 0.00 1.15 -2.27 0.00 0.00 179.45 178.77 1trv h THR 9 N 0.00 0.96 -0.07 1.00 2.02 -2.00 -1.49 112.91 113.33 1trv h THR 9 Ca -0.02 -0.01 -0.10 0.00 0.77 0.00 0.00 66.41 67.05 1trv h THR 9 Cb 1.37 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 68.70 1trv h THR 9 CO 0.06 0.01 -0.41 0.00 0.37 0.00 0.00 175.52 175.54 1trv h ALA 10 N 1.05 1.19 0.05 6.16 0.00 -1.98 -2.45 119.26 123.28 1trv h ALA 10 Ca 0.03 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1trv h ALA 10 Cb 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1trv h ALA 10 CO -0.05 0.56 -0.02 0.35 0.00 0.00 0.00 179.25 180.10 1trv h PHE 11 N 0.12 -0.06 -0.15 0.00 3.57 -1.34 0.23 116.94 119.32 1trv h PHE 11 Ca 0.01 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1trv h PHE 11 Cb 0.78 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.53 1trv h PHE 11 CO 0.01 -0.03 0.05 1.96 -2.23 0.00 0.00 178.31 178.07 1trv h GLN 12 N -0.06 0.23 0.00 1.11 4.20 -1.20 -2.15 115.11 117.23 1trv h GLN 12 Ca -0.01 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 1trv h GLN 12 Cb 0.05 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.79 1trv h GLN 12 CO 0.01 0.34 -0.01 0.93 -0.67 0.00 0.00 178.83 179.43 1trv h GLU 13 N 0.08 0.00 -0.08 1.46 5.08 -1.25 -1.65 114.58 118.21 1trv h GLU 13 Ca 0.05 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1trv h GLU 13 Cb 0.20 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 1trv h GLU 13 CO -0.00 0.01 -0.03 0.00 -1.00 0.00 0.00 179.01 177.99 1trv h ALA 14 N 1.99 0.12 0.00 3.43 0.00 0.09 -2.18 119.26 122.71 1trv h ALA 14 Ca -0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1trv h ALA 14 Cb 0.01 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1trv h ALA 14 CO 0.00 -0.15 -0.10 -0.07 0.00 0.00 0.00 179.25 178.94 1trv h LEU 15 N -0.18 0.00 -0.23 0.00 3.38 -0.99 -2.23 115.31 115.07 1trv h LEU 15 Ca 0.02 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 1trv h LEU 15 Cb 0.45 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1trv h LEU 15 CO 0.01 0.10 -0.42 -0.78 0.09 0.00 0.00 178.44 177.44 1trv h ASP 16 N 0.00 0.76 0.88 -0.43 3.58 -0.93 -2.98 116.42 117.31 1trv h ASP 16 Ca -0.00 -0.54 -0.06 0.00 0.42 0.00 0.00 57.03 56.85 1trv h ASP 16 Cb 0.35 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.18 1trv h ASP 16 CO 0.01 1.16 -0.29 0.00 -2.88 0.00 0.00 179.24 177.24 1trv h ALA 17 N 0.63 1.02 -0.62 -0.78 0.00 -0.92 -3.02 119.26 115.57 1trv h ALA 17 Ca 0.01 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.59 1trv h ALA 17 Cb 1.02 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.74 1trv h ALA 17 CO 0.09 0.36 0.14 0.00 0.00 0.00 0.00 179.25 179.84 1trv h ALA 18 N 1.71 0.81 0.00 0.00 0.00 -1.27 -3.47 119.26 117.05 1trv h ALA 18 Ca -0.00 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1trv h ALA 18 Cb 0.81 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1trv h ALA 18 CO 0.04 0.54 0.00 0.41 0.00 0.00 0.00 179.25 180.24 1trv n GLY 19 N -0.62 2.26 0.00 0.00 0.00 -1.14 -2.93 105.19 102.76 1trv n GLY 19 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1trv n GLY 19 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1trv n ASP 20 N 5.93 0.00 -4.82 1.61 2.03 -1.26 -4.49 116.55 115.54 1trv n ASP 20 Ca 0.00 -1.00 -0.31 0.00 0.52 0.00 0.00 54.79 54.00 1trv n ASP 20 Cb 0.00 0.00 0.06 0.00 -0.72 0.00 0.00 41.12 40.46 1trv n ASP 20 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1trv s LYS 21 N 0.00 2.68 0.83 -0.67 1.02 -1.15 -4.59 119.74 117.85 1trv s LYS 21 Ca 0.00 0.80 -0.12 0.00 0.02 0.00 0.00 55.97 56.67 1trv s LYS 21 Cb 0.00 -1.97 0.09 0.00 -0.52 0.00 0.00 37.83 35.43 1trv s LYS 21 CO 0.00 -1.24 1.16 -1.17 -0.92 0.00 0.00 175.35 173.18 1trv s LEU 22 N -5.59 3.05 -0.29 3.17 0.20 -1.26 -4.48 118.68 113.48 1trv s LEU 22 Ca 0.59 2.20 -0.00 0.00 0.69 0.00 0.00 54.13 57.61 1trv s LEU 22 Cb -0.14 -4.57 0.14 0.00 -0.43 0.00 0.00 46.19 41.19 1trv s LEU 22 CO 0.54 -2.65 0.31 -0.69 -0.29 0.00 0.00 176.35 173.58 1trv s VAL 23 N -2.44 -0.44 0.60 1.68 1.01 0.34 -2.97 120.40 118.19 1trv s VAL 23 Ca 0.69 -0.45 -0.03 0.00 0.00 0.00 0.00 61.98 62.19 1trv s VAL 23 Cb -0.24 -0.98 0.03 0.00 0.00 0.00 0.00 36.38 35.19 1trv s VAL 23 CO 0.53 -0.43 0.88 -0.69 0.00 0.00 0.00 175.10 175.39 1trv s VAL 24 N 2.39 2.96 0.01 2.92 1.01 -0.51 -0.16 120.40 129.03 1trv s VAL 24 Ca 0.09 -0.33 -0.03 0.00 0.00 0.00 0.00 61.98 61.71 1trv s VAL 24 Cb -0.14 -3.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 1trv s VAL 24 CO -0.32 -0.16 0.04 -0.69 0.00 0.00 0.00 175.10 173.97 1trv s VAL 25 N -2.96 0.10 -0.27 2.92 1.01 -0.59 -2.19 120.40 118.42 1trv s VAL 25 Ca 0.56 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.76 1trv s VAL 25 Cb -0.10 -0.33 0.07 0.00 0.00 0.00 0.00 36.38 36.01 1trv s VAL 25 CO 0.42 -0.45 -0.07 -0.62 0.00 0.00 0.00 175.10 174.39 1trv s ASP 26 N -1.42 4.37 -0.65 3.32 2.15 -0.97 -2.91 116.67 120.57 1trv s ASP 26 Ca -0.15 -1.49 -0.16 0.00 0.43 0.00 0.00 52.55 51.18 1trv s ASP 26 Cb -0.09 -1.47 0.16 0.00 -0.30 0.00 0.00 42.92 41.22 1trv s ASP 26 CO 0.00 -0.24 0.62 -0.36 -0.17 0.00 0.00 175.17 175.02 1trv s PHE 27 N 1.14 3.39 0.00 -5.34 0.40 0.06 -1.30 117.98 116.33 1trv s PHE 27 Ca -0.05 -1.49 0.00 0.00 -0.60 0.00 0.00 56.93 54.79 1trv s PHE 27 Cb -0.20 -3.83 0.00 0.00 0.51 0.00 0.00 43.02 39.50 1trv s PHE 27 CO -0.06 -1.04 0.00 0.43 0.70 0.00 0.00 175.22 175.25 1trv n SER 28 N 4.95 1.88 -3.84 1.36 7.64 -1.14 -1.84 113.62 122.63 1trv n SER 28 Ca -0.04 -0.56 -0.21 0.00 1.01 0.00 0.00 58.87 59.07 1trv n SER 28 Cb 0.43 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.46 1trv n SER 28 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1trv s ALA 29 N -2.00 0.63 -0.08 -0.43 0.00 -1.26 -2.68 121.76 115.94 1trv s ALA 29 Ca 0.00 -0.05 -0.26 0.00 0.00 0.00 0.00 51.96 51.65 1trv s ALA 29 Cb 0.00 -0.53 -0.25 0.00 0.00 0.00 0.00 23.12 22.34 1trv s ALA 29 CO 0.00 -0.19 0.93 0.00 0.00 0.00 0.00 175.76 176.49 1trv h THR 30 N 6.23 1.63 -0.08 0.00 1.03 -1.95 -3.15 112.91 116.62 1trv h THR 30 Ca -0.32 -2.11 0.02 0.00 -0.01 0.00 0.00 66.41 63.99 1trv h THR 30 Cb 1.14 3.03 -0.00 0.00 -1.07 0.00 0.00 68.15 71.24 1trv h THR 30 CO 0.39 0.57 0.36 4.11 -0.01 0.00 0.00 175.52 180.93 1trv h TRP 31 N -0.69 0.00 -3.60 0.00 5.08 -2.02 -3.40 115.95 111.32 1trv h TRP 31 Ca -0.03 0.00 -0.51 0.00 1.08 0.00 0.00 58.89 59.43 1trv h TRP 31 Cb 1.04 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.18 1trv h TRP 31 CO 0.22 0.00 0.02 0.00 -1.28 0.00 0.00 178.44 177.40 1trv n GLY 33 N -0.52 -0.70 0.19 0.00 0.00 -1.26 -3.78 105.19 99.12 1trv n GLY 33 Ca 0.02 -0.09 -0.07 0.00 0.00 0.00 0.00 46.02 45.88 1trv n GLY 33 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1trv h PRO 34 N -0.47 -0.10 -0.00 1.61 0.11 -1.96 0.23 132.00 131.42 1trv h PRO 34 Ca 0.00 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.12 1trv h PRO 34 Cb 0.27 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.40 1trv h PRO 34 CO 0.00 -0.07 0.01 0.00 -0.21 0.00 0.00 178.00 177.73 1trv h LYS 36 N 0.00 0.00 0.00 0.00 3.64 -0.75 -3.29 116.57 116.17 1trv h LYS 36 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1trv h LYS 36 Cb 0.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1trv h LYS 36 CO -0.00 0.13 0.00 -1.33 -2.27 0.00 0.00 179.45 175.98 1trv n MET 37 N -2.83 0.23 -0.30 1.90 2.81 0.08 -2.06 117.12 116.96 1trv n MET 37 Ca -0.02 0.13 0.11 0.00 -1.81 0.00 0.00 57.70 56.11 1trv n MET 37 Cb 0.65 -1.50 0.28 0.00 -0.71 0.00 0.00 33.22 31.95 1trv n MET 37 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1trv n ILE 38 N -1.30 0.79 0.09 2.02 5.41 -1.22 -4.32 119.36 120.82 1trv n ILE 38 Ca 0.08 -0.86 -0.04 0.00 1.00 0.00 0.00 62.75 62.93 1trv n ILE 38 Cb 0.14 0.60 -0.06 0.00 -0.71 0.00 0.00 39.64 39.61 1trv n ILE 38 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 1trv h LYS 39 N 4.09 0.00 0.00 0.38 2.10 -1.63 -3.12 116.57 118.39 1trv h LYS 39 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1trv h LYS 39 Cb 0.93 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.26 1trv h LYS 39 CO 0.00 0.84 0.00 -0.35 -2.00 0.00 0.00 179.45 177.94 1trv n PRO 40 N -3.35 0.14 -0.06 0.07 -0.05 -1.26 -0.94 135.00 129.54 1trv n PRO 40 Ca 0.00 0.41 -0.03 0.00 -0.05 0.00 0.00 63.50 63.84 1trv n PRO 40 Cb 0.86 -1.79 -0.01 0.00 -0.05 0.00 0.00 33.50 32.52 1trv n PRO 40 CO 0.00 0.00 0.00 0.74 -0.05 0.00 0.00 175.50 176.19 1trv h PHE 41 N 0.00 0.00 0.12 0.54 -1.00 -1.84 -3.05 116.94 111.71 1trv h PHE 41 Ca 0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 1trv h PHE 41 Cb 0.28 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.85 1trv h PHE 41 CO 0.00 0.00 -0.06 0.35 -1.61 0.00 0.00 178.31 177.00 1trv h PHE 42 N -1.00 -0.15 0.00 -0.55 3.57 -1.54 -2.33 116.94 114.95 1trv h PHE 42 Ca -0.00 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.49 1trv h PHE 42 Cb 0.29 0.05 -0.00 0.00 2.79 0.00 0.00 35.95 39.08 1trv h PHE 42 CO -0.12 -0.03 -0.02 1.25 -2.23 0.00 0.00 178.31 177.16 1trv h HIS 43 N -0.23 0.00 -0.23 0.41 2.76 -1.25 -1.10 115.15 115.51 1trv h HIS 43 Ca -0.02 0.00 -0.10 0.00 -2.20 0.00 0.00 60.37 58.05 1trv h HIS 43 Cb 0.19 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.13 1trv h HIS 43 CO -0.05 0.02 -0.29 1.03 -1.30 0.00 0.00 177.93 177.35 1trv h SER 44 N 0.00 0.47 -0.15 3.26 0.87 -1.30 -2.32 113.55 114.38 1trv h SER 44 Ca -0.00 -0.17 0.04 0.00 -1.23 0.00 0.00 61.79 60.43 1trv h SER 44 Cb 0.06 -0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 1trv h SER 44 CO 0.00 0.75 0.11 -0.07 -0.53 0.00 0.00 176.83 177.09 1trv h LEU 45 N 0.41 0.01 -0.73 2.23 3.38 -1.03 -2.28 115.31 117.29 1trv h LEU 45 Ca 0.05 -0.00 0.16 0.00 0.09 0.00 0.00 57.88 58.18 1trv h LEU 45 Cb 0.72 -0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.36 1trv h LEU 45 CO 0.06 0.01 0.18 0.28 0.09 0.00 0.00 178.44 179.05 1trv h SER 46 N 0.01 0.02 0.88 -0.43 0.02 -1.47 0.29 113.55 112.87 1trv h SER 46 Ca 0.07 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 1trv h SER 46 Cb 0.27 0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.00 1trv h SER 46 CO -0.00 -0.03 -0.79 -0.33 -1.14 0.00 0.00 176.83 174.54 1trv h GLU 47 N 0.27 0.00 0.04 3.45 5.08 -1.58 -3.29 114.58 118.56 1trv h GLU 47 Ca 0.41 0.00 -0.26 0.00 -1.00 0.00 0.00 59.36 58.50 1trv h GLU 47 Cb 0.68 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.91 1trv h GLU 47 CO -0.50 0.00 -1.35 -0.22 -1.00 0.00 0.00 179.01 175.94 1trv h LYS 48 N 0.00 0.09 -2.48 2.33 3.64 -0.83 -3.39 116.57 115.93 1trv h LYS 48 Ca 0.00 -0.15 -0.60 0.00 -1.27 0.00 0.00 60.65 58.63 1trv h LYS 48 Cb 0.83 0.06 -0.41 0.00 -0.41 0.00 0.00 32.23 32.30 1trv h LYS 48 CO 0.00 0.91 -0.72 0.66 -2.27 0.00 0.00 179.45 178.03 1trv n TYR 49 N -3.31 2.27 0.86 1.91 4.01 0.86 -4.90 117.16 118.87 1trv n TYR 49 Ca -0.10 -4.00 0.06 0.00 -0.16 0.00 0.00 57.90 53.70 1trv n TYR 49 Cb 1.00 -0.44 0.34 0.00 -0.31 0.00 0.00 39.34 39.94 1trv n TYR 49 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 1trv n SER 50 N 1.57 0.00 -1.32 7.72 3.41 -1.25 -1.73 113.62 122.02 1trv n SER 50 Ca 0.25 -0.50 0.11 0.00 -0.26 0.00 0.00 58.87 58.47 1trv n SER 50 Cb 0.42 0.00 0.31 0.00 -0.26 0.00 0.00 64.21 64.68 1trv n SER 50 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1trv n ASN 51 N -0.92 3.82 -4.18 4.04 5.15 -1.26 -4.91 115.26 117.00 1trv n ASN 51 Ca 0.09 -2.01 -0.17 0.00 -0.60 0.00 0.00 54.58 51.88 1trv n ASN 51 Cb 0.04 -0.48 -0.12 0.00 -0.53 0.00 0.00 39.78 38.70 1trv n ASN 51 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1trv s VAL 52 N -1.08 1.09 -0.29 3.44 1.01 -0.70 -4.76 120.40 119.11 1trv s VAL 52 Ca 0.47 -1.39 -0.11 0.00 0.00 0.00 0.00 61.98 60.95 1trv s VAL 52 Cb 0.25 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 1trv s VAL 52 CO 0.32 -0.30 0.19 -0.63 0.00 0.00 0.00 175.10 174.67 1trv s ILE 53 N -1.55 5.19 -0.14 2.22 -1.09 -1.16 -4.76 121.20 119.91 1trv s ILE 53 Ca -0.00 0.04 -0.03 0.00 -2.23 0.00 0.00 60.65 58.43 1trv s ILE 53 Cb -0.08 -3.52 -0.03 0.00 -1.58 0.00 0.00 42.46 37.25 1trv s ILE 53 CO 0.02 0.20 -0.05 -0.36 -1.23 0.00 0.00 174.94 173.51 1trv s PHE 54 N 1.73 2.99 0.38 3.97 0.08 -1.26 -1.42 117.98 124.45 1trv s PHE 54 Ca 0.07 -0.32 0.08 0.00 0.12 0.00 0.00 56.93 56.88 1trv s PHE 54 Cb -0.16 -1.92 -0.03 0.00 -0.57 0.00 0.00 43.02 40.34 1trv s PHE 54 CO 0.10 -0.02 0.27 -0.51 -0.10 0.00 0.00 175.22 174.96 1trv s LEU 55 N 0.24 3.37 -0.23 -0.37 1.02 -0.93 -2.92 118.68 118.85 1trv s LEU 55 Ca -0.04 -0.74 -0.04 0.00 0.02 0.00 0.00 54.13 53.33 1trv s LEU 55 Cb -0.14 -1.92 0.09 0.00 0.02 0.00 0.00 46.19 44.24 1trv s LEU 55 CO 0.03 -0.47 0.15 -0.70 0.02 0.00 0.00 176.35 175.38 1trv s GLU 56 N -3.99 0.16 0.06 1.70 2.12 -0.46 -2.29 118.70 116.01 1trv s GLU 56 Ca 0.43 -0.21 0.03 0.00 0.36 0.00 0.00 54.97 55.57 1trv s GLU 56 Cb -0.03 -1.34 -0.04 0.00 0.26 0.00 0.00 34.13 32.99 1trv s GLU 56 CO 0.25 -0.84 0.06 0.08 -0.54 0.00 0.00 175.26 174.27 1trv s VAL 57 N 2.18 4.45 -0.21 3.70 1.01 -0.42 -1.68 120.40 129.42 1trv s VAL 57 Ca 0.06 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 1trv s VAL 57 Cb -0.16 -3.11 0.00 0.00 0.00 0.00 0.00 36.38 33.12 1trv s VAL 57 CO -0.23 0.18 -0.09 -0.62 0.00 0.00 0.00 175.10 174.35 1trv s ASP 58 N -2.20 3.97 0.00 3.32 2.15 -1.26 -2.88 116.67 119.77 1trv s ASP 58 Ca 0.27 -0.53 0.00 0.00 0.43 0.00 0.00 52.55 52.72 1trv s ASP 58 Cb -0.12 -1.66 0.00 0.00 -0.30 0.00 0.00 42.92 40.84 1trv s ASP 58 CO 0.19 -0.03 0.28 1.33 -0.17 0.00 0.00 175.17 176.78 1trv n VAL 59 N 4.73 0.00 -0.00 1.11 0.24 -1.09 -0.65 118.33 122.67 1trv n VAL 59 Ca -0.19 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.10 1trv n VAL 59 Cb 0.50 -0.33 -0.00 0.00 -1.47 0.00 0.00 33.84 32.54 1trv n VAL 59 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1trv n ASP 60 N -0.41 1.90 0.11 -1.34 9.92 -1.26 -4.37 116.55 121.11 1trv n ASP 60 Ca 0.00 0.00 0.12 0.00 -0.53 0.00 0.00 54.79 54.38 1trv n ASP 60 Cb 0.01 -0.02 0.06 0.00 -0.64 0.00 0.00 41.12 40.53 1trv n ASP 60 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1trv h ASP 61 N -0.02 0.00 -0.92 -2.24 3.58 -1.88 -3.36 116.42 111.59 1trv h ASP 61 Ca -0.02 -0.04 -0.48 0.00 0.42 0.00 0.00 57.03 56.90 1trv h ASP 61 Cb 1.02 0.00 -0.42 0.00 1.72 0.00 0.00 39.33 41.66 1trv h ASP 61 CO -0.01 0.02 -0.89 0.00 -2.88 0.00 0.00 179.24 175.48 1trv n ALA 62 N -2.10 4.42 0.23 -0.78 0.00 0.18 -4.72 120.51 117.75 1trv n ALA 62 Ca 0.01 -3.67 0.12 0.00 0.00 0.00 0.00 53.44 49.90 1trv n ALA 62 Cb 0.52 -0.54 0.62 0.00 0.00 0.00 0.00 19.45 20.05 1trv n ALA 62 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 1trv h GLN 63 N 2.45 0.00 -0.29 0.00 1.08 -1.72 0.43 115.11 117.06 1trv h GLN 63 Ca 0.21 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 57.25 1trv h GLN 63 Cb 1.29 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.72 1trv h GLN 63 CO 0.65 0.00 -0.46 0.38 -0.95 0.00 0.00 178.83 178.45 1trv h ASP 64 N 0.00 0.91 0.72 1.46 2.03 -1.91 -2.20 116.42 117.43 1trv h ASP 64 Ca 0.00 -0.52 -0.24 0.00 -0.73 0.00 0.00 57.03 55.54 1trv h ASP 64 Cb 0.43 -0.26 -0.01 0.00 -0.83 0.00 0.00 39.33 38.66 1trv h ASP 64 CO 0.00 1.25 -1.09 0.58 -1.03 0.00 0.00 179.24 178.95 1trv h VAL 65 N 0.60 1.56 -0.74 4.15 2.07 -1.24 -3.13 116.25 119.51 1trv h VAL 65 Ca 0.02 -3.06 -0.03 0.00 0.82 0.00 0.00 66.70 64.45 1trv h VAL 65 Cb 1.06 2.81 -0.03 0.00 -1.52 0.00 0.00 31.29 33.61 1trv h VAL 65 CO 0.11 0.89 0.35 0.00 0.02 0.00 0.00 177.57 178.93 1trv h ALA 66 N 0.78 0.95 -0.10 1.67 0.00 -1.40 -1.92 119.26 119.24 1trv h ALA 66 Ca -0.08 -0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.61 1trv h ALA 66 Cb 1.81 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.30 1trv h ALA 66 CO 0.17 0.53 -0.22 0.66 0.00 0.00 0.00 179.25 180.38 1trv h SER 67 N 1.04 0.16 0.50 0.00 4.64 -1.43 0.42 113.55 118.88 1trv h SER 67 Ca 0.25 -0.04 -0.02 0.00 -0.47 0.00 0.00 61.79 61.51 1trv h SER 67 Cb 0.13 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 1trv h SER 67 CO -0.03 0.40 -0.26 -0.08 -0.87 0.00 0.00 176.83 175.99 1trv h GLU 68 N 0.16 -0.67 -0.00 4.77 4.57 -1.29 -2.00 114.58 120.11 1trv h GLU 68 Ca 0.03 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 1trv h GLU 68 Cb 0.49 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.23 1trv h GLU 68 CO 0.03 -0.45 -0.06 0.00 -1.18 0.00 0.00 179.01 177.36 1trv n ALA 69 N -2.41 2.59 -3.39 2.92 0.00 -1.11 -4.93 120.51 114.17 1trv n ALA 69 Ca -0.12 -0.18 -0.21 0.00 0.00 0.00 0.00 53.44 52.94 1trv n ALA 69 Cb 0.30 -1.42 0.06 0.00 0.00 0.00 0.00 19.45 18.38 1trv n ALA 69 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1trv n GLU 70 N -1.25 -1.91 -2.81 0.00 2.13 0.14 -4.90 120.64 112.04 1trv n GLU 70 Ca 0.12 0.73 -0.43 0.00 0.66 0.00 0.00 57.16 58.25 1trv n GLU 70 Cb 0.28 -5.26 -0.04 0.00 0.27 0.00 0.00 31.44 26.68 1trv n GLU 70 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1trv s VAL 71 N -3.41 4.38 -0.18 6.31 1.01 -0.81 -4.85 120.40 122.84 1trv s VAL 71 Ca 0.46 0.50 0.17 0.00 0.00 0.00 0.00 61.98 63.12 1trv s VAL 71 Cb -0.10 -4.52 0.54 0.00 0.00 0.00 0.00 36.38 32.30 1trv s VAL 71 CO 0.78 -1.03 1.43 0.29 0.00 0.00 0.00 175.10 176.57 1trv n LYS 72 N 7.44 2.97 -3.20 2.72 4.76 -1.26 -4.87 118.16 126.72 1trv n LYS 72 Ca 0.04 -2.86 0.00 0.00 -2.87 0.00 0.00 58.31 52.62 1trv n LYS 72 Cb 0.48 -1.86 -0.02 0.00 -1.84 0.00 0.00 35.03 31.78 1trv n LYS 72 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1trv s ALA 73 N -2.84 -1.99 0.14 7.82 0.00 -1.26 -5.16 121.76 118.47 1trv s ALA 73 Ca 0.43 1.21 0.04 0.00 0.00 0.00 0.00 51.96 53.63 1trv s ALA 73 Cb 0.35 -2.22 -0.04 0.00 0.00 0.00 0.00 23.12 21.21 1trv s ALA 73 CO 0.09 -1.55 0.19 0.95 0.00 0.00 0.00 175.76 175.43 1trv s THR 74 N 2.76 4.85 0.70 0.00 -4.23 -1.26 -4.19 115.64 114.26 1trv s THR 74 Ca 0.14 -0.86 -0.11 0.00 -1.18 0.00 0.00 61.69 59.68 1trv s THR 74 Cb -0.13 -3.46 0.01 0.00 1.34 0.00 0.00 72.50 70.26 1trv s THR 74 CO -0.23 -0.06 1.07 -2.16 -0.54 0.00 0.00 174.62 172.69 1trv s PRO 75 N -3.03 2.93 -0.02 3.99 0.04 -1.26 -4.95 135.00 132.69 1trv s PRO 75 Ca 0.32 0.72 -0.14 0.00 0.04 0.00 0.00 61.00 61.95 1trv s PRO 75 Cb -0.11 -2.01 0.02 0.00 0.04 0.00 0.00 34.50 32.45 1trv s PRO 75 CO 0.25 -1.05 0.29 0.99 0.04 0.00 0.00 177.00 177.53 1trv s THR 76 N -3.18 0.05 0.03 1.26 2.01 -0.76 -3.30 115.64 111.76 1trv s THR 76 Ca 0.58 -0.45 0.07 0.00 0.31 0.00 0.00 61.69 62.19 1trv s THR 76 Cb -0.13 -0.58 -0.02 0.00 0.01 0.00 0.00 72.50 71.78 1trv s THR 76 CO 0.54 -0.25 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.67 1trv s PHE 77 N -1.20 1.68 0.04 4.92 0.40 -0.94 -0.76 117.98 122.12 1trv s PHE 77 Ca -0.13 -0.36 0.06 0.00 -0.60 0.00 0.00 56.93 55.90 1trv s PHE 77 Cb -0.05 -1.01 -0.02 0.00 0.51 0.00 0.00 43.02 42.44 1trv s PHE 77 CO 0.04 0.07 -0.16 -0.65 0.70 0.00 0.00 175.22 175.21 1trv s GLN 78 N -1.07 1.06 -0.33 0.44 -0.21 -1.15 -2.25 119.66 116.16 1trv s GLN 78 Ca 0.06 -0.82 -0.08 0.00 0.02 0.00 0.00 55.36 54.54 1trv s GLN 78 Cb -0.08 -1.10 0.02 0.00 1.00 0.00 0.00 33.01 32.85 1trv s GLN 78 CO 0.01 0.27 0.12 -0.06 -2.12 0.00 0.00 175.29 173.51 1trv s PHE 79 N -0.86 3.21 -0.00 0.91 0.40 0.11 -1.54 117.98 120.20 1trv s PHE 79 Ca 0.03 -1.13 0.05 0.00 -0.60 0.00 0.00 56.93 55.28 1trv s PHE 79 Cb -0.08 -2.30 -0.03 0.00 0.51 0.00 0.00 43.02 41.12 1trv s PHE 79 CO 0.02 -0.64 -0.15 -0.06 0.70 0.00 0.00 175.22 175.09 1trv s PHE 80 N 1.48 2.67 -0.17 0.36 0.08 0.78 -1.54 117.98 121.64 1trv s PHE 80 Ca 0.01 -0.18 -0.15 0.00 0.12 0.00 0.00 56.93 56.73 1trv s PHE 80 Cb -0.18 -1.56 0.05 0.00 -0.57 0.00 0.00 43.02 40.75 1trv s PHE 80 CO 0.04 0.24 0.45 0.21 -0.10 0.00 0.00 175.22 176.05 1trv s LYS 81 N -1.13 0.51 -1.28 0.44 2.20 -0.77 -0.50 119.74 119.21 1trv s LYS 81 Ca 0.14 0.64 0.00 0.00 -0.36 0.00 0.00 55.97 56.39 1trv s LYS 81 Cb -0.11 0.23 0.00 0.00 -1.51 0.00 0.00 37.83 36.44 1trv s LYS 81 CO 0.04 -0.07 0.00 1.63 -0.36 0.00 0.00 175.35 176.58 1trv n LYS 82 N 2.99 -1.43 -1.53 4.03 5.02 -1.26 0.54 118.16 126.52 1trv n LYS 82 Ca -0.14 0.76 -0.00 0.00 -2.02 0.00 0.00 58.31 56.91 1trv n LYS 82 Cb 0.57 -4.97 -0.00 0.00 -0.02 0.00 0.00 35.03 30.61 1trv n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1trv n GLY 83 N -0.11 0.38 2.83 0.72 0.00 -1.26 -5.04 105.19 102.71 1trv n GLY 83 Ca -0.12 -0.97 -0.20 0.00 0.00 0.00 0.00 46.02 44.73 1trv n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1trv s GLN 84 N -3.07 0.55 0.08 1.61 -0.21 0.19 -5.11 119.66 113.70 1trv s GLN 84 Ca 0.00 0.03 -0.31 0.00 0.02 0.00 0.00 55.36 55.10 1trv s GLN 84 Cb 0.00 -0.74 -0.08 0.00 1.00 0.00 0.00 33.01 33.19 1trv s GLN 84 CO 0.00 -0.17 1.57 0.21 -2.12 0.00 0.00 175.29 174.78 1trv s LYS 85 N 1.27 4.23 0.00 2.91 2.20 -1.26 -1.85 119.74 127.23 1trv s LYS 85 Ca -0.06 2.25 0.00 0.00 -0.36 0.00 0.00 55.97 57.80 1trv s LYS 85 Cb -0.13 -3.47 0.00 0.00 -1.51 0.00 0.00 37.83 32.72 1trv s LYS 85 CO -0.02 -0.65 0.44 1.33 -0.36 0.00 0.00 175.35 176.08 1trv n VAL 86 N 4.48 0.00 -3.61 4.02 0.24 -0.59 -4.96 118.33 117.92 1trv n VAL 86 Ca 0.15 -0.46 -0.05 0.00 -2.04 0.00 0.00 64.34 61.94 1trv n VAL 86 Cb 0.41 1.07 -0.03 0.00 -1.47 0.00 0.00 33.84 33.82 1trv n VAL 86 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1trv s GLY 87 N -0.05 -0.19 -0.16 7.63 0.00 -1.20 -5.00 107.32 108.35 1trv s GLY 87 Ca 0.00 2.00 -0.32 0.00 0.00 0.00 0.00 44.72 46.40 1trv s GLY 87 CO 0.00 0.76 1.11 -1.83 0.00 0.00 0.00 173.10 173.15 1trv s GLU 88 N -1.85 0.44 -0.10 2.90 1.03 -1.26 0.05 118.70 119.92 1trv s GLU 88 Ca 0.08 -0.06 -0.31 0.00 0.03 0.00 0.00 54.97 54.71 1trv s GLU 88 Cb -0.01 0.21 0.12 0.00 -0.80 0.00 0.00 34.13 33.65 1trv s GLU 88 CO -0.05 -0.17 1.02 -0.59 -1.33 0.00 0.00 175.26 174.14 1trv s PHE 89 N -1.98 -0.27 0.06 4.83 -0.12 -0.95 -5.00 117.98 114.54 1trv s PHE 89 Ca 0.05 0.23 0.07 0.00 -0.05 0.00 0.00 56.93 57.24 1trv s PHE 89 Cb -0.01 0.52 -0.03 0.00 -0.63 0.00 0.00 43.02 42.87 1trv s PHE 89 CO -0.04 -0.39 -0.18 -1.54 -0.05 0.00 0.00 175.22 173.01 1trv s SER 90 N -2.12 2.20 0.00 1.98 1.04 -1.26 -2.21 113.70 113.33 1trv s SER 90 Ca 0.05 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 55.93 1trv s SER 90 Cb -0.01 -0.15 0.00 0.00 0.10 0.00 0.00 66.02 65.96 1trv s SER 90 CO -0.06 0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.85 1trv n GLY 91 N 1.63 4.17 1.31 7.32 0.00 -1.21 -4.95 105.19 113.46 1trv n GLY 91 Ca -0.18 -0.61 -0.00 0.00 0.00 0.00 0.00 46.02 45.22 1trv n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1trv n ALA 92 N -1.35 3.41 -3.20 4.61 0.00 -1.26 -4.60 120.51 118.13 1trv n ALA 92 Ca 0.00 -0.04 -0.43 0.00 0.00 0.00 0.00 53.44 52.97 1trv n ALA 92 Cb 0.00 -1.01 -0.00 0.00 0.00 0.00 0.00 19.45 18.44 1trv n ALA 92 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1trv n ASN 93 N 1.06 5.83 0.24 0.00 4.05 -1.26 -4.83 115.26 120.35 1trv n ASN 93 Ca 0.01 -3.24 0.15 0.00 0.45 0.00 0.00 54.58 51.94 1trv n ASN 93 Cb 0.51 -1.28 0.82 0.00 1.23 0.00 0.00 39.78 41.05 1trv n ASN 93 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 177.26 174.28 1trv h LYS 94 N 5.93 0.00 -0.04 1.20 -0.00 -1.98 0.22 116.57 121.89 1trv h LYS 94 Ca 0.19 0.00 -0.08 0.00 -0.00 0.00 0.00 60.65 60.76 1trv h LYS 94 Cb 0.73 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.95 1trv h LYS 94 CO 1.16 0.00 -0.36 0.93 -0.00 0.00 0.00 179.45 181.17 1trv h GLU 95 N 0.00 0.09 0.00 0.07 5.08 -1.98 -2.33 114.58 115.51 1trv h GLU 95 Ca 0.05 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1trv h GLU 95 Cb 0.23 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1trv h GLU 95 CO -0.00 0.44 -0.14 -0.22 -1.00 0.00 0.00 179.01 178.10 1trv h LYS 96 N 0.08 0.00 -0.90 2.33 3.64 -1.35 -2.08 116.57 118.29 1trv h LYS 96 Ca 0.01 0.00 0.22 0.00 -1.27 0.00 0.00 60.65 59.61 1trv h LYS 96 Cb 0.68 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.44 1trv h LYS 96 CO 0.05 0.14 0.61 -0.07 -2.27 0.00 0.00 179.45 177.91 1trv h LEU 97 N 0.00 0.26 0.46 5.20 3.38 -1.47 0.13 115.31 123.27 1trv h LEU 97 Ca -0.00 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 1trv h LEU 97 Cb 0.25 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1trv h LEU 97 CO 0.02 0.10 -0.22 -0.08 0.09 0.00 0.00 178.44 178.35 1trv h GLU 98 N 0.26 -0.59 -0.24 1.13 4.81 -1.54 0.21 114.58 118.62 1trv h GLU 98 Ca 0.46 0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.79 1trv h GLU 98 Cb 1.36 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.87 1trv h GLU 98 CO -0.12 -0.39 0.17 0.00 -0.73 0.00 0.00 179.01 177.93 1trv h ALA 99 N -1.65 2.17 -0.13 2.92 0.00 -1.56 -1.99 119.26 119.02 1trv h ALA 99 Ca -0.06 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 1trv h ALA 99 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1trv h ALA 99 CO 0.10 -0.23 -0.25 1.15 0.00 0.00 0.00 179.25 180.02 1trv h THR 100 N 0.04 1.37 -0.54 0.00 2.02 -0.58 -2.97 112.91 112.25 1trv h THR 100 Ca 0.11 -1.52 0.03 0.00 0.77 0.00 0.00 66.41 65.80 1trv h THR 100 Cb 0.39 2.03 -0.03 0.00 -1.74 0.00 0.00 68.15 68.81 1trv h THR 100 CO -0.01 0.45 0.36 0.40 0.37 0.00 0.00 175.52 177.09 1trv h ILE 101 N -0.00 1.08 0.00 3.11 2.04 0.14 0.45 117.51 124.32 1trv h ILE 101 Ca 0.01 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1trv h ILE 101 Cb 0.84 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 37.30 1trv h ILE 101 CO 0.06 0.12 0.00 -3.20 0.00 0.00 0.00 178.15 175.12 1trv n ASN 102 N -4.47 0.00 -0.04 1.72 5.15 -0.94 -2.00 115.26 114.68 1trv n ASN 102 Ca 0.06 -0.68 -0.08 0.00 -0.60 0.00 0.00 54.58 53.28 1trv n ASN 102 Cb 0.12 -0.05 -0.07 0.00 -0.53 0.00 0.00 39.78 39.25 1trv n ASN 102 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 1trv h GLU 103 N 0.00 -0.04 -0.46 1.20 4.81 0.06 -3.35 114.58 116.80 1trv h GLU 103 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1trv h GLU 103 Cb 0.04 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1trv h GLU 103 CO 0.00 0.48 0.00 1.28 -0.73 0.00 0.00 179.01 180.04 1trv n LEU 104 N -4.73 4.80 0.00 1.64 4.77 -1.22 -5.13 117.00 117.13 1trv n LEU 104 Ca -0.06 -2.85 0.01 0.00 -0.03 0.00 0.00 56.01 53.09 1trv n LEU 104 Cb 0.26 -0.60 0.08 0.00 -2.33 0.00 0.00 43.42 40.83 1trv n LEU 104 CO 0.19 0.68 0.32 0.55 -1.33 0.00 0.00 177.39 177.81