#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 0.00 -0.16 2.03 1.01 -1.26 -4.17 120.40 117.85 1trv s VAL 2 Ca 0.00 -1.99 -0.06 0.00 0.00 0.00 0.00 61.98 59.94 1trv s VAL 2 Cb 0.00 -2.50 0.08 0.00 0.00 0.00 0.00 36.38 33.95 1trv s VAL 2 CO 0.00 0.00 0.32 -0.75 0.00 0.00 0.00 175.10 174.67 1trv s LYS 3 N -3.65 0.22 -0.10 2.72 2.47 -1.16 -5.01 119.74 115.22 1trv s LYS 3 Ca 0.40 0.85 -0.30 0.00 -1.56 0.00 0.00 55.97 55.36 1trv s LYS 3 Cb 0.04 0.09 -0.01 0.00 -1.46 0.00 0.00 37.83 36.48 1trv s LYS 3 CO 0.23 -0.28 1.01 -1.14 0.16 0.00 0.00 175.35 175.33 1trv s GLN 4 N 2.50 4.42 -0.22 4.03 0.74 -1.26 -1.39 119.66 128.47 1trv s GLN 4 Ca 0.00 1.40 -0.17 0.00 0.05 0.00 0.00 55.36 56.64 1trv s GLN 4 Cb -0.12 -3.54 -0.03 0.00 1.10 0.00 0.00 33.01 30.41 1trv s GLN 4 CO -0.10 -0.32 0.45 0.42 -0.55 0.00 0.00 175.29 175.19 1trv s ILE 5 N 2.01 5.14 -0.11 -2.34 -1.09 -0.71 -4.94 121.20 119.17 1trv s ILE 5 Ca 0.49 0.79 0.16 0.00 -2.23 0.00 0.00 60.65 59.86 1trv s ILE 5 Cb -0.18 -3.78 -0.21 0.00 -1.58 0.00 0.00 42.46 36.71 1trv s ILE 5 CO 0.18 0.18 0.57 -0.62 -1.23 0.00 0.00 174.94 174.02 1trv n GLU 6 N 4.93 0.64 -0.17 2.79 4.71 -1.26 -4.46 120.64 127.82 1trv n GLU 6 Ca -0.06 0.17 0.00 0.00 -0.01 0.00 0.00 57.16 57.25 1trv n GLU 6 Cb 0.51 -1.72 0.00 0.00 -1.01 0.00 0.00 31.44 29.22 1trv n GLU 6 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 1trv n SER 7 N -2.87 0.00 0.08 1.62 3.41 -1.26 -4.19 113.62 110.41 1trv n SER 7 Ca -0.17 -0.17 -0.03 0.00 -0.26 0.00 0.00 58.87 58.24 1trv n SER 7 Cb 0.97 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.85 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 -0.26 4.33 3.64 -1.94 -3.07 116.57 119.28 1trv h LYS 8 Ca 0.00 0.00 0.03 0.00 -1.27 0.00 0.00 60.65 59.41 1trv h LYS 8 Cb 0.00 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 1trv h LYS 8 CO 0.00 0.68 0.09 1.15 -2.27 0.00 0.00 179.45 179.10 1trv h THR 9 N 0.00 0.93 -0.17 1.00 2.02 -2.00 0.18 112.91 114.88 1trv h THR 9 Ca -0.05 -0.07 -0.11 0.00 0.77 0.00 0.00 66.41 66.94 1trv h THR 9 Cb 1.63 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 68.74 1trv h THR 9 CO 0.09 0.04 -0.38 0.00 0.37 0.00 0.00 175.52 175.63 1trv h ALA 10 N 1.16 1.04 -0.01 6.16 0.00 -1.97 -2.27 119.26 123.37 1trv h ALA 10 Ca 0.11 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.62 1trv h ALA 10 Cb 0.08 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1trv h ALA 10 CO -0.12 0.60 -0.00 0.35 0.00 0.00 0.00 179.25 180.08 1trv h PHE 11 N 0.31 -0.00 0.07 0.00 3.57 -1.17 0.45 116.94 120.16 1trv h PHE 11 Ca 0.03 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.53 1trv h PHE 11 Cb 0.82 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.56 1trv h PHE 11 CO 0.02 -0.00 -0.03 0.37 -2.23 0.00 0.00 178.31 176.44 1trv h GLN 12 N 0.00 -0.09 0.00 1.11 4.15 -0.89 -1.86 115.11 117.54 1trv h GLN 12 Ca 0.00 0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 1trv h GLN 12 Cb 0.01 0.02 -0.00 0.00 0.21 0.00 0.00 27.48 27.71 1trv h GLN 12 CO -0.01 0.03 -0.04 0.93 -1.93 0.00 0.00 178.83 177.82 1trv h GLU 13 N -0.18 0.00 -0.07 1.69 5.08 -1.22 -1.81 114.58 118.07 1trv h GLU 13 Ca -0.01 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.33 1trv h GLU 13 Cb 0.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1trv h GLU 13 CO 0.01 0.04 -0.02 0.00 -1.00 0.00 0.00 179.01 178.04 1trv h ALA 14 N 1.96 0.10 0.00 3.43 0.00 0.68 -2.01 119.26 123.42 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 0.08 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1trv h ALA 14 CO 0.00 -0.17 -0.10 -0.07 0.00 0.00 0.00 179.25 178.91 1trv h LEU 15 N -0.20 0.00 -0.11 0.00 3.38 -0.84 -1.82 115.31 115.72 1trv h LEU 15 Ca 0.02 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1trv h LEU 15 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1trv h LEU 15 CO 0.01 0.10 -0.19 -0.78 0.09 0.00 0.00 178.44 177.67 1trv h ASP 16 N 0.00 0.35 1.18 -0.43 3.58 -0.95 -3.00 116.42 117.15 1trv h ASP 16 Ca -0.00 -0.54 -0.00 0.00 0.42 0.00 0.00 57.03 56.90 1trv h ASP 16 Cb 0.35 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.30 1trv h ASP 16 CO 0.01 0.83 -0.01 0.00 -2.88 0.00 0.00 179.24 177.19 1trv h ALA 17 N 0.53 1.00 -0.44 -0.78 0.00 -1.02 -2.94 119.26 115.61 1trv h ALA 17 Ca 0.01 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 1trv h ALA 17 Cb 0.76 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1trv h ALA 17 CO 0.04 0.01 -0.04 0.00 0.00 0.00 0.00 179.25 179.27 1trv h ALA 18 N 1.99 1.11 0.00 0.00 0.00 -1.19 -3.48 119.26 117.69 1trv h ALA 18 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1trv h ALA 18 Cb 0.60 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1trv h ALA 18 CO 0.00 0.56 0.00 0.41 0.00 0.00 0.00 179.25 180.22 1trv n GLY 19 N -0.61 1.46 0.00 0.00 0.00 -1.11 -3.81 105.19 101.11 1trv n GLY 19 Ca 0.02 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.55 1trv n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1trv n ASP 20 N 4.72 0.00 -4.38 1.61 9.92 -1.26 -4.63 116.55 122.53 1trv n ASP 20 Ca 0.00 -1.00 -0.29 0.00 -0.53 0.00 0.00 54.79 52.97 1trv n ASP 20 Cb 0.00 0.00 0.17 0.00 -0.64 0.00 0.00 41.12 40.65 1trv n ASP 20 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1trv s LYS 21 N 0.00 0.55 0.74 -1.24 1.02 -1.25 -4.46 119.74 115.10 1trv s LYS 21 Ca 0.00 -0.02 -0.15 0.00 0.02 0.00 0.00 55.97 55.82 1trv s LYS 21 Cb 0.00 -1.80 0.04 0.00 -0.52 0.00 0.00 37.83 35.55 1trv s LYS 21 CO 0.00 -2.54 1.20 -1.17 -0.92 0.00 0.00 175.35 171.92 1trv s LEU 22 N -6.14 3.29 -0.29 3.17 0.20 -1.26 -4.48 118.68 113.17 1trv s LEU 22 Ca 0.68 2.32 0.00 0.00 0.69 0.00 0.00 54.13 57.83 1trv s LEU 22 Cb -0.10 -4.58 0.14 0.00 -0.43 0.00 0.00 46.19 41.22 1trv s LEU 22 CO 0.53 -2.27 0.32 -0.69 -0.29 0.00 0.00 176.35 173.95 1trv s VAL 23 N -2.05 -0.47 0.55 1.68 1.01 -0.87 -3.06 120.40 117.20 1trv s VAL 23 Ca 0.73 -0.42 -0.02 0.00 0.00 0.00 0.00 61.98 62.27 1trv s VAL 23 Cb -0.28 -0.98 0.02 0.00 0.00 0.00 0.00 36.38 35.14 1trv s VAL 23 CO 0.46 -0.41 0.81 -0.69 0.00 0.00 0.00 175.10 175.28 1trv s VAL 24 N 2.41 3.34 0.01 2.92 1.01 -0.45 -0.96 120.40 128.69 1trv s VAL 24 Ca 0.09 -0.35 -0.01 0.00 0.00 0.00 0.00 61.98 61.71 1trv s VAL 24 Cb -0.14 -3.29 -0.01 0.00 0.00 0.00 0.00 36.38 32.94 1trv s VAL 24 CO -0.31 -0.25 0.01 -0.69 0.00 0.00 0.00 175.10 173.86 1trv s VAL 25 N -2.83 0.08 -0.25 2.92 1.01 -0.74 -2.38 120.40 118.21 1trv s VAL 25 Ca 0.54 -0.70 0.03 0.00 0.00 0.00 0.00 61.98 61.84 1trv s VAL 25 Cb -0.10 -0.25 0.06 0.00 0.00 0.00 0.00 36.38 36.09 1trv s VAL 25 CO 0.41 -0.38 -0.10 -0.62 0.00 0.00 0.00 175.10 174.40 1trv s ASP 26 N -1.16 4.28 -0.55 3.32 2.15 -1.04 -2.90 116.67 120.77 1trv s ASP 26 Ca -0.13 -1.33 -0.16 0.00 0.43 0.00 0.00 52.55 51.37 1trv s ASP 26 Cb -0.08 -1.48 0.13 0.00 -0.30 0.00 0.00 42.92 41.20 1trv s ASP 26 CO -0.00 -0.19 0.51 -0.36 -0.17 0.00 0.00 175.17 174.96 1trv s PHE 27 N 1.16 3.28 0.00 -5.34 0.40 -0.20 -1.37 117.98 115.90 1trv s PHE 27 Ca -0.08 -1.34 0.00 0.00 -0.60 0.00 0.00 56.93 54.91 1trv s PHE 27 Cb -0.19 -3.79 0.00 0.00 0.51 0.00 0.00 43.02 39.54 1trv s PHE 27 CO -0.06 -1.02 0.00 0.43 0.70 0.00 0.00 175.22 175.28 1trv n SER 28 N 5.18 1.64 -3.73 1.36 7.64 -1.15 -1.80 113.62 122.75 1trv n SER 28 Ca -0.12 -0.85 -0.24 0.00 1.01 0.00 0.00 58.87 58.66 1trv n SER 28 Cb 0.40 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.43 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 0.68 0.04 -0.43 0.00 -1.26 -2.93 121.76 115.86 1trv s ALA 29 Ca 0.00 -0.24 -0.19 0.00 0.00 0.00 0.00 51.96 51.53 1trv s ALA 29 Cb 0.00 -0.87 -0.16 0.00 0.00 0.00 0.00 23.12 22.09 1trv s ALA 29 CO 0.00 -0.71 1.27 0.00 0.00 0.00 0.00 175.76 176.32 1trv h THR 30 N 6.40 1.37 -0.13 0.00 1.03 -1.95 -2.86 112.91 116.77 1trv h THR 30 Ca -0.17 -1.60 0.04 0.00 -0.01 0.00 0.00 66.41 64.67 1trv h THR 30 Cb 1.13 2.06 -0.01 0.00 -1.07 0.00 0.00 68.15 70.26 1trv h THR 30 CO 0.27 0.47 0.23 4.11 -0.01 0.00 0.00 175.52 180.59 1trv h TRP 31 N 0.04 0.00 -3.57 0.00 5.08 -2.02 -3.41 115.95 112.07 1trv h TRP 31 Ca -0.00 0.00 -0.51 0.00 1.08 0.00 0.00 58.89 59.46 1trv h TRP 31 Cb 0.92 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 27.07 1trv h TRP 31 CO 0.10 0.00 0.02 0.00 -1.28 0.00 0.00 178.44 177.29 1trv n GLY 33 N -0.79 -0.65 0.17 0.00 0.00 -1.26 -3.95 105.19 98.71 1trv n GLY 33 Ca 0.02 -0.10 -0.04 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.44 0.12 -0.00 1.61 0.11 -1.96 0.16 132.00 131.60 1trv h PRO 34 Ca 0.00 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.10 1trv h PRO 34 Cb 0.29 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.37 1trv h PRO 34 CO 0.00 0.08 0.00 0.00 -0.21 0.00 0.00 178.00 177.87 1trv h LYS 36 N 0.00 0.00 0.00 0.00 3.64 -0.85 -3.28 116.57 116.08 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 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1trv h LYS 36 CO -0.00 0.00 0.00 -0.12 -2.27 0.00 0.00 179.45 177.06 1trv n MET 37 N -2.76 0.12 -0.32 1.90 1.56 0.12 -2.11 117.12 115.62 1trv n MET 37 Ca 0.01 0.17 0.11 0.00 -0.27 0.00 0.00 57.70 57.72 1trv n MET 37 Cb 0.54 -1.50 0.29 0.00 2.15 0.00 0.00 33.22 34.70 1trv n MET 37 CO 0.00 0.00 0.00 -0.89 -0.73 0.00 0.00 175.97 174.35 1trv n ILE 38 N -1.40 0.85 0.08 1.12 5.41 -1.24 -4.32 119.36 119.87 1trv n ILE 38 Ca 0.06 -0.88 -0.05 0.00 1.00 0.00 0.00 62.75 62.88 1trv n ILE 38 Cb 0.17 0.50 -0.08 0.00 -0.71 0.00 0.00 39.64 39.53 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 3.98 0.00 0.00 0.38 2.10 -1.64 -3.17 116.57 118.22 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 0.91 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.24 1trv h LYS 39 CO 0.00 0.88 0.00 -0.35 -2.00 0.00 0.00 179.45 177.98 1trv n PRO 40 N -3.34 0.09 -0.06 0.07 -0.05 -1.26 -1.39 135.00 129.06 1trv n PRO 40 Ca 0.00 0.33 -0.03 0.00 -0.05 0.00 0.00 63.50 63.76 1trv n PRO 40 Cb 0.88 -1.67 -0.01 0.00 -0.05 0.00 0.00 33.50 32.65 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 -0.45 0.54 -1.00 -1.84 -3.16 116.94 111.02 1trv h PHE 41 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1trv h PHE 41 Cb 0.30 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.84 1trv h PHE 41 CO 0.00 0.00 0.29 0.35 -1.61 0.00 0.00 178.31 177.34 1trv h PHE 42 N -0.99 0.58 0.00 -0.55 3.57 -1.58 -1.82 116.94 116.15 1trv h PHE 42 Ca 0.00 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.50 1trv h PHE 42 Cb 0.31 -0.19 -0.00 0.00 2.79 0.00 0.00 35.95 38.85 1trv h PHE 42 CO -0.13 0.37 -0.06 1.25 -2.23 0.00 0.00 178.31 177.51 1trv h HIS 43 N 0.61 0.00 -0.24 0.41 2.76 -1.42 -1.89 115.15 115.38 1trv h HIS 43 Ca 0.17 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.21 1trv h HIS 43 Cb -0.06 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.89 1trv h HIS 43 CO -0.04 0.06 -0.38 0.66 -1.30 0.00 0.00 177.93 176.93 1trv h SER 44 N 0.00 0.56 -0.33 3.26 4.64 -1.29 -2.63 113.55 117.75 1trv h SER 44 Ca -0.00 -0.24 0.10 0.00 -0.47 0.00 0.00 61.79 61.18 1trv h SER 44 Cb 0.17 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.09 1trv h SER 44 CO 0.01 0.88 0.24 -0.07 -0.87 0.00 0.00 176.83 177.02 1trv h LEU 45 N 0.44 0.00 -0.70 5.97 3.38 -1.27 -1.88 115.31 121.25 1trv h LEU 45 Ca 0.04 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.15 1trv h LEU 45 Cb 0.86 0.00 -0.10 0.00 0.09 0.00 0.00 40.66 41.51 1trv h LEU 45 CO 0.07 0.00 0.19 0.28 0.09 0.00 0.00 178.44 179.08 1trv h SER 46 N 0.00 0.08 0.96 -0.43 0.02 -1.55 0.31 113.55 112.94 1trv h SER 46 Ca 0.16 0.13 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1trv h SER 46 Cb 0.63 0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.33 1trv h SER 46 CO -0.00 0.01 -0.88 -0.33 -1.14 0.00 0.00 176.83 174.49 1trv h GLU 47 N 0.31 0.00 0.00 3.45 5.08 -1.53 -3.34 114.58 118.55 1trv h GLU 47 Ca 0.39 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.55 1trv h GLU 47 Cb 0.62 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.84 1trv h GLU 47 CO -0.45 0.00 -1.10 -0.22 -1.00 0.00 0.00 179.01 176.23 1trv h LYS 48 N 0.00 0.00 -2.54 2.33 1.63 -0.80 -3.39 116.57 113.79 1trv h LYS 48 Ca 0.00 0.00 -0.60 0.00 -0.85 0.00 0.00 60.65 59.20 1trv h LYS 48 Cb 0.92 0.00 -0.40 0.00 -0.60 0.00 0.00 32.23 32.15 1trv h LYS 48 CO 0.00 0.69 -0.77 0.66 -3.45 0.00 0.00 179.45 176.58 1trv n TYR 49 N -3.20 1.60 0.76 1.91 4.01 0.97 -4.91 117.16 118.31 1trv n TYR 49 Ca -0.04 -3.88 0.07 0.00 -0.16 0.00 0.00 57.90 53.88 1trv n TYR 49 Cb 0.91 -0.32 0.38 0.00 -0.31 0.00 0.00 39.34 40.00 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 1.91 0.00 -1.34 7.72 3.41 -1.25 -1.69 113.62 122.37 1trv n SER 50 Ca 0.25 -0.20 0.10 0.00 -0.26 0.00 0.00 58.87 58.76 1trv n SER 50 Cb 0.43 -0.13 0.31 0.00 -0.26 0.00 0.00 64.21 64.56 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 -1.13 3.92 -4.16 4.04 5.15 -1.26 -4.90 115.26 116.92 1trv n ASN 51 Ca 0.09 -2.14 -0.20 0.00 -0.60 0.00 0.00 54.58 51.73 1trv n ASN 51 Cb 0.07 -0.49 -0.13 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 -1.33 1.16 -0.29 3.44 1.01 -0.68 -4.74 120.40 118.97 1trv s VAL 52 Ca 0.46 -1.14 -0.12 0.00 0.00 0.00 0.00 61.98 61.19 1trv s VAL 52 Cb 0.26 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 1trv s VAL 52 CO 0.28 -0.07 0.22 -0.63 0.00 0.00 0.00 175.10 174.90 1trv s ILE 53 N -1.01 5.29 -0.14 2.22 -1.09 -1.17 -4.79 121.20 120.51 1trv s ILE 53 Ca 0.01 0.16 -0.02 0.00 -2.23 0.00 0.00 60.65 58.57 1trv s ILE 53 Cb -0.09 -3.58 -0.02 0.00 -1.58 0.00 0.00 42.46 37.19 1trv s ILE 53 CO 0.02 0.20 -0.07 -0.36 -1.23 0.00 0.00 174.94 173.49 1trv s PHE 54 N 1.80 2.95 0.41 3.97 0.08 -1.26 -1.33 117.98 124.59 1trv s PHE 54 Ca 0.08 -0.37 0.08 0.00 0.12 0.00 0.00 56.93 56.84 1trv s PHE 54 Cb -0.16 -1.89 -0.03 0.00 -0.57 0.00 0.00 43.02 40.36 1trv s PHE 54 CO 0.11 -0.05 0.29 -0.51 -0.10 0.00 0.00 175.22 174.96 1trv s LEU 55 N 0.22 3.30 -0.24 -0.37 1.02 -1.00 -2.99 118.68 118.63 1trv s LEU 55 Ca -0.05 -0.85 -0.04 0.00 0.02 0.00 0.00 54.13 53.21 1trv s LEU 55 Cb -0.14 -1.83 0.09 0.00 0.02 0.00 0.00 46.19 44.33 1trv s LEU 55 CO 0.04 -0.59 0.16 -0.70 0.02 0.00 0.00 176.35 175.28 1trv s GLU 56 N -4.03 0.17 0.13 1.70 2.12 -0.49 -2.48 118.70 115.81 1trv s GLU 56 Ca 0.45 -0.19 0.04 0.00 0.36 0.00 0.00 54.97 55.63 1trv s GLU 56 Cb -0.01 -1.31 -0.04 0.00 0.26 0.00 0.00 34.13 33.03 1trv s GLU 56 CO 0.26 -0.84 0.11 0.08 -0.54 0.00 0.00 175.26 174.32 1trv s VAL 57 N 2.19 4.49 -0.20 3.70 1.01 -0.47 -1.74 120.40 129.37 1trv s VAL 57 Ca 0.06 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.10 1trv s VAL 57 Cb -0.16 -3.23 0.02 0.00 0.00 0.00 0.00 36.38 33.01 1trv s VAL 57 CO -0.23 -0.00 -0.15 -0.62 0.00 0.00 0.00 175.10 174.10 1trv s ASP 58 N -2.77 3.60 0.00 3.32 2.15 -1.26 -2.94 116.67 118.77 1trv s ASP 58 Ca 0.30 -0.72 0.01 0.00 0.43 0.00 0.00 52.55 52.57 1trv s ASP 58 Cb -0.11 -1.55 0.06 0.00 -0.30 0.00 0.00 42.92 41.02 1trv s ASP 58 CO 0.23 -0.04 0.34 1.33 -0.17 0.00 0.00 175.17 176.86 1trv n VAL 59 N 4.63 0.00 -0.01 1.11 0.24 -1.15 -0.58 118.33 122.58 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 0.49 -0.42 -0.00 0.00 -1.47 0.00 0.00 33.84 32.43 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 -0.55 2.78 0.09 -1.34 9.92 -1.26 -4.35 116.55 121.84 1trv n ASP 60 Ca 0.01 0.00 0.06 0.00 -0.53 0.00 0.00 54.79 54.33 1trv n ASP 60 Cb 0.00 -0.02 -0.01 0.00 -0.64 0.00 0.00 41.12 40.45 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 -0.01 0.00 -1.05 -2.24 3.58 -1.87 -3.36 116.42 111.47 1trv h ASP 61 Ca -0.02 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.89 1trv h ASP 61 Cb 1.03 0.00 -0.42 0.00 1.72 0.00 0.00 39.33 41.66 1trv h ASP 61 CO -0.01 0.29 -0.83 0.00 -2.88 0.00 0.00 179.24 175.82 1trv n ALA 62 N -2.26 4.76 0.27 -0.78 0.00 0.25 -4.75 120.51 118.01 1trv n ALA 62 Ca -0.03 -3.89 0.14 0.00 0.00 0.00 0.00 53.44 49.66 1trv n ALA 62 Cb 0.69 -0.49 0.75 0.00 0.00 0.00 0.00 19.45 20.40 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 2.43 0.00 -0.29 0.00 4.20 -1.72 0.37 115.11 120.10 1trv h GLN 63 Ca 0.27 0.00 -0.17 0.00 0.06 0.00 0.00 58.65 58.81 1trv h GLN 63 Cb 1.25 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.03 1trv h GLN 63 CO 0.74 0.00 -0.50 0.38 -0.67 0.00 0.00 178.83 178.78 1trv h ASP 64 N 0.00 0.95 0.93 1.46 2.03 -1.91 -2.58 116.42 117.30 1trv h ASP 64 Ca 0.00 -0.52 -0.21 0.00 -0.73 0.00 0.00 57.03 55.57 1trv h ASP 64 Cb 0.45 -0.27 -0.03 0.00 -0.83 0.00 0.00 39.33 38.66 1trv h ASP 64 CO 0.00 1.29 -0.99 0.58 -1.03 0.00 0.00 179.24 179.09 1trv h VAL 65 N 0.64 1.67 -0.50 4.15 2.07 -1.26 -3.14 116.25 119.88 1trv h VAL 65 Ca 0.02 -3.28 -0.02 0.00 0.82 0.00 0.00 66.70 64.24 1trv h VAL 65 Cb 1.11 2.80 -0.02 0.00 -1.52 0.00 0.00 31.29 33.65 1trv h VAL 65 CO 0.11 0.94 0.24 0.00 0.02 0.00 0.00 177.57 178.88 1trv h ALA 66 N 0.99 0.65 0.00 1.67 0.00 -1.35 -1.79 119.26 119.42 1trv h ALA 66 Ca -0.02 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.72 1trv h ALA 66 Cb 1.73 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 1trv h ALA 66 CO 0.13 0.21 -0.23 1.03 0.00 0.00 0.00 179.25 180.40 1trv h SER 67 N 0.66 0.00 0.39 0.00 0.87 -1.51 0.18 113.55 114.16 1trv h SER 67 Ca 0.17 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.71 1trv h SER 67 Cb 0.12 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1trv h SER 67 CO -0.02 0.23 -0.19 -0.08 -0.53 0.00 0.00 176.83 176.23 1trv h GLU 68 N 0.00 -0.51 -0.00 2.24 4.81 -1.28 -2.17 114.58 117.67 1trv h GLU 68 Ca -0.00 0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1trv h GLU 68 Cb 0.46 0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.96 1trv h GLU 68 CO 0.03 -0.30 -0.06 0.00 -0.73 0.00 0.00 179.01 177.95 1trv n ALA 69 N -2.36 2.65 -3.41 2.92 0.00 -1.08 -4.93 120.51 114.30 1trv n ALA 69 Ca -0.11 -0.22 -0.20 0.00 0.00 0.00 0.00 53.44 52.92 1trv n ALA 69 Cb 0.24 -1.41 0.06 0.00 0.00 0.00 0.00 19.45 18.35 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 -1.06 -2.49 -2.84 0.00 4.07 0.59 -4.91 120.64 114.00 1trv n GLU 70 Ca 0.16 0.74 -0.43 0.00 -0.06 0.00 0.00 57.16 57.56 1trv n GLU 70 Cb 0.25 -5.33 -0.04 0.00 -0.06 0.00 0.00 31.44 26.25 1trv n GLU 70 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1trv s VAL 71 N -3.43 4.49 -0.50 6.31 1.01 -0.85 -4.86 120.40 122.57 1trv s VAL 71 Ca 0.40 0.65 0.14 0.00 0.00 0.00 0.00 61.98 63.16 1trv s VAL 71 Cb -0.08 -4.43 0.43 0.00 0.00 0.00 0.00 36.38 32.30 1trv s VAL 71 CO 0.78 -0.85 1.35 0.29 0.00 0.00 0.00 175.10 176.66 1trv n LYS 72 N 7.14 2.91 -3.20 2.72 5.02 -1.26 -4.89 118.16 126.60 1trv n LYS 72 Ca 0.05 -2.49 0.01 0.00 -2.02 0.00 0.00 58.31 53.86 1trv n LYS 72 Cb 0.48 -1.59 -0.03 0.00 -0.02 0.00 0.00 35.03 33.88 1trv n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1trv s ALA 73 N -2.02 -1.99 0.15 7.82 0.00 -1.26 -5.16 121.76 119.29 1trv s ALA 73 Ca 0.34 1.48 0.04 0.00 0.00 0.00 0.00 51.96 53.82 1trv s ALA 73 Cb 0.24 -2.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.21 1trv s ALA 73 CO 0.12 -1.40 0.18 0.95 0.00 0.00 0.00 175.76 175.61 1trv s THR 74 N 2.78 4.81 0.71 0.00 -4.23 -1.26 -4.20 115.64 114.25 1trv s THR 74 Ca 0.17 -0.89 -0.11 0.00 -1.18 0.00 0.00 61.69 59.68 1trv s THR 74 Cb -0.14 -3.45 0.01 0.00 1.34 0.00 0.00 72.50 70.26 1trv s THR 74 CO -0.21 -0.07 1.07 -2.16 -0.54 0.00 0.00 174.62 172.71 1trv s PRO 75 N -3.06 2.86 -0.06 3.99 0.04 -1.26 -4.95 135.00 132.57 1trv s PRO 75 Ca 0.32 0.72 -0.11 0.00 0.04 0.00 0.00 61.00 61.98 1trv s PRO 75 Cb -0.11 -2.00 0.02 0.00 0.04 0.00 0.00 34.50 32.45 1trv s PRO 75 CO 0.25 -1.09 0.26 0.99 0.04 0.00 0.00 177.00 177.45 1trv s THR 76 N -3.17 0.03 0.01 1.26 2.01 -0.75 -3.33 115.64 111.71 1trv s THR 76 Ca 0.58 -0.27 0.08 0.00 0.31 0.00 0.00 61.69 62.40 1trv s THR 76 Cb -0.13 -0.46 -0.02 0.00 0.01 0.00 0.00 72.50 71.89 1trv s THR 76 CO 0.54 -0.15 -0.25 -0.36 -0.69 0.00 0.00 174.62 173.71 1trv s PHE 77 N -0.57 2.24 0.03 4.92 0.40 -0.88 -1.04 117.98 123.08 1trv s PHE 77 Ca -0.07 -0.42 0.06 0.00 -0.60 0.00 0.00 56.93 55.90 1trv s PHE 77 Cb -0.04 -1.39 -0.02 0.00 0.51 0.00 0.00 43.02 42.08 1trv s PHE 77 CO 0.02 0.04 -0.17 -0.65 0.70 0.00 0.00 175.22 175.16 1trv s GLN 78 N -0.90 1.18 -0.34 0.44 -0.21 -1.14 -2.01 119.66 116.67 1trv s GLN 78 Ca 0.10 -0.78 -0.07 0.00 0.02 0.00 0.00 55.36 54.63 1trv s GLN 78 Cb -0.10 -1.21 0.04 0.00 1.00 0.00 0.00 33.01 32.74 1trv s GLN 78 CO 0.00 0.31 0.12 -0.06 -2.12 0.00 0.00 175.29 173.54 1trv s PHE 79 N -0.72 3.26 0.14 0.91 0.40 0.11 -1.80 117.98 120.28 1trv s PHE 79 Ca 0.05 -1.38 0.06 0.00 -0.60 0.00 0.00 56.93 55.05 1trv s PHE 79 Cb -0.08 -2.31 -0.04 0.00 0.51 0.00 0.00 43.02 41.11 1trv s PHE 79 CO 0.01 -0.72 0.06 -0.06 0.70 0.00 0.00 175.22 175.20 1trv s PHE 80 N 1.42 3.02 -0.18 0.36 0.08 -0.13 -2.00 117.98 120.55 1trv s PHE 80 Ca -0.01 -0.05 -0.09 0.00 0.12 0.00 0.00 56.93 56.90 1trv s PHE 80 Cb -0.20 -1.48 0.07 0.00 -0.57 0.00 0.00 43.02 40.84 1trv s PHE 80 CO 0.03 0.51 0.41 0.21 -0.10 0.00 0.00 175.22 176.29 1trv s LYS 81 N -2.81 0.37 -1.32 0.44 2.47 -0.56 -2.04 119.74 116.29 1trv s LYS 81 Ca 0.29 0.85 0.00 0.00 -1.56 0.00 0.00 55.97 55.55 1trv s LYS 81 Cb -0.10 0.06 0.00 0.00 -1.46 0.00 0.00 37.83 36.33 1trv s LYS 81 CO 0.21 -0.18 0.00 1.63 0.16 0.00 0.00 175.35 177.16 1trv n LYS 82 N 4.56 -1.50 -1.62 4.03 5.02 -1.26 0.82 118.16 128.20 1trv n LYS 82 Ca -0.19 0.74 0.00 0.00 -2.02 0.00 0.00 58.31 56.83 1trv n LYS 82 Cb 0.54 -5.07 0.00 0.00 -0.02 0.00 0.00 35.03 30.48 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 -0.38 0.41 2.89 0.72 0.00 -1.26 -5.04 105.19 102.53 1trv n GLY 83 Ca -0.14 -0.93 -0.24 0.00 0.00 0.00 0.00 46.02 44.72 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 -3.27 1.15 0.13 1.61 -0.21 0.24 -5.11 119.66 114.20 1trv s GLN 84 Ca 0.00 -0.15 -0.31 0.00 0.02 0.00 0.00 55.36 54.91 1trv s GLN 84 Cb 0.00 -1.20 -0.09 0.00 1.00 0.00 0.00 33.01 32.72 1trv s GLN 84 CO 0.00 -0.17 1.54 0.21 -2.12 0.00 0.00 175.29 174.74 1trv s LYS 85 N 1.38 4.24 0.00 2.91 2.20 -1.26 -1.50 119.74 127.70 1trv s LYS 85 Ca -0.03 2.28 0.00 0.00 -0.36 0.00 0.00 55.97 57.86 1trv s LYS 85 Cb -0.14 -3.27 0.00 0.00 -1.51 0.00 0.00 37.83 32.92 1trv s LYS 85 CO -0.03 -0.59 0.00 1.33 -0.36 0.00 0.00 175.35 175.70 1trv n VAL 86 N 4.12 0.00 -3.51 4.02 0.24 -0.85 -4.95 118.33 117.41 1trv n VAL 86 Ca 0.14 -0.04 -0.09 0.00 -2.04 0.00 0.00 64.34 62.31 1trv n VAL 86 Cb 0.40 0.50 -0.02 0.00 -1.47 0.00 0.00 33.84 33.24 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 -1.71 -0.45 -0.14 7.63 0.00 -1.19 -5.03 107.32 106.44 1trv s GLY 87 Ca 0.00 1.11 -0.33 0.00 0.00 0.00 0.00 44.72 45.50 1trv s GLY 87 CO 0.00 0.42 1.14 -1.83 0.00 0.00 0.00 173.10 172.83 1trv s GLU 88 N -2.87 0.44 -0.07 2.90 -1.05 -1.26 0.07 118.70 116.85 1trv s GLU 88 Ca 0.04 -0.17 -0.31 0.00 -0.15 0.00 0.00 54.97 54.38 1trv s GLU 88 Cb -0.01 0.20 0.11 0.00 -0.44 0.00 0.00 34.13 33.99 1trv s GLU 88 CO -0.08 -0.19 1.01 -0.59 0.95 0.00 0.00 175.26 176.36 1trv s PHE 89 N -2.59 -0.26 0.07 4.83 -0.12 -0.85 -5.00 117.98 114.06 1trv s PHE 89 Ca 0.09 0.15 0.07 0.00 -0.05 0.00 0.00 56.93 57.19 1trv s PHE 89 Cb -0.01 0.53 -0.03 0.00 -0.63 0.00 0.00 43.02 42.89 1trv s PHE 89 CO -0.06 -0.43 -0.19 -1.54 -0.05 0.00 0.00 175.22 172.96 1trv s SER 90 N -2.40 2.26 0.00 1.98 1.04 -1.26 -2.07 113.70 113.26 1trv s SER 90 Ca 0.07 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.91 1trv s SER 90 Cb -0.01 -0.14 0.00 0.00 0.10 0.00 0.00 66.02 65.97 1trv s SER 90 CO -0.07 0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.83 1trv n GLY 91 N 1.50 4.28 1.34 7.32 0.00 -1.21 -4.95 105.19 113.48 1trv n GLY 91 Ca -0.19 -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 -1.41 3.49 -3.26 4.61 0.00 -1.26 -4.60 120.51 118.08 1trv n ALA 92 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 1trv n ALA 92 Cb 0.00 -1.01 -0.01 0.00 0.00 0.00 0.00 19.45 18.43 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 1.18 5.62 0.28 0.00 4.05 -1.26 -4.84 115.26 120.30 1trv n ASN 93 Ca 0.00 -3.20 0.15 0.00 0.45 0.00 0.00 54.58 51.98 1trv n ASN 93 Cb 0.49 -1.28 0.88 0.00 1.23 0.00 0.00 39.78 41.11 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 6.05 0.00 -0.21 1.20 -0.00 -1.98 -1.01 116.57 120.62 1trv h LYS 94 Ca 0.19 0.00 -0.10 0.00 -0.00 0.00 0.00 60.65 60.74 1trv h LYS 94 Cb 0.77 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.98 1trv h LYS 94 CO 1.10 0.00 -0.29 0.93 -0.00 0.00 0.00 179.45 181.19 1trv h GLU 95 N 0.00 0.41 0.00 0.07 5.08 -1.98 -2.48 114.58 115.68 1trv h GLU 95 Ca 0.02 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 1trv h GLU 95 Cb 0.09 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 1trv h GLU 95 CO -0.00 0.67 -0.09 -0.22 -1.00 0.00 0.00 179.01 178.37 1trv h LYS 96 N 0.36 0.00 -0.90 2.33 3.64 -1.59 -1.91 116.57 118.50 1trv h LYS 96 Ca 0.05 0.00 0.24 0.00 -1.27 0.00 0.00 60.65 59.67 1trv h LYS 96 Cb 0.70 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.47 1trv h LYS 96 CO 0.05 0.09 0.63 -0.07 -2.27 0.00 0.00 179.45 177.88 1trv h LEU 97 N 0.00 0.16 0.46 5.20 3.38 -1.50 0.84 115.31 123.85 1trv h LEU 97 Ca -0.00 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1trv h LEU 97 Cb 0.19 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1trv h LEU 97 CO 0.01 0.06 -0.22 -0.08 0.09 0.00 0.00 178.44 178.30 1trv h GLU 98 N 0.16 -0.59 -0.25 1.13 4.81 -1.51 0.24 114.58 118.57 1trv h GLU 98 Ca 0.45 0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.79 1trv h GLU 98 Cb 1.51 0.13 -0.01 0.00 0.63 0.00 0.00 28.75 31.02 1trv h GLU 98 CO -0.08 -0.39 0.18 0.00 -0.73 0.00 0.00 179.01 177.99 1trv h ALA 99 N -1.65 2.22 -0.15 2.92 0.00 -1.55 -1.73 119.26 119.32 1trv h ALA 99 Ca -0.06 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 1trv h ALA 99 Cb 0.47 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1trv h ALA 99 CO 0.10 -0.31 -0.34 1.15 0.00 0.00 0.00 179.25 179.85 1trv h THR 100 N 0.00 1.36 -0.49 0.00 2.02 -0.63 -3.01 112.91 112.16 1trv h THR 100 Ca 0.12 -1.61 0.02 0.00 0.77 0.00 0.00 66.41 65.71 1trv h THR 100 Cb 0.48 2.01 -0.03 0.00 -1.74 0.00 0.00 68.15 68.87 1trv h THR 100 CO -0.00 0.48 0.32 0.40 0.37 0.00 0.00 175.52 177.10 1trv h ILE 101 N 0.11 1.08 0.00 3.11 2.04 0.38 0.43 117.51 124.66 1trv h ILE 101 Ca -0.00 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.66 1trv h ILE 101 Cb 0.94 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.46 1trv h ILE 101 CO 0.07 0.11 0.00 -3.20 0.00 0.00 0.00 178.15 175.13 1trv n ASN 102 N -4.47 0.00 -0.03 1.72 5.15 -0.96 -2.24 115.26 114.43 1trv n ASN 102 Ca 0.05 -0.87 -0.07 0.00 -0.60 0.00 0.00 54.58 53.09 1trv n ASN 102 Cb 0.11 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.30 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 -0.06 -0.47 1.20 4.57 -0.01 -3.35 114.58 116.47 1trv h GLU 103 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1trv h GLU 103 Cb 0.00 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.60 1trv h GLU 103 CO 0.00 0.40 0.00 1.28 -1.18 0.00 0.00 179.01 179.51 1trv n LEU 104 N -4.76 4.74 0.00 1.64 4.77 -1.23 -5.13 117.00 117.03 1trv n LEU 104 Ca -0.05 -2.81 0.01 0.00 -0.03 0.00 0.00 56.01 53.13 1trv n LEU 104 Cb 0.23 -0.59 0.08 0.00 -2.33 0.00 0.00 43.42 40.81 1trv n LEU 104 CO 0.18 0.69 0.32 0.55 -1.33 0.00 0.00 177.39 177.79