#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 0.05 -0.17 3.17 1.01 -1.26 -4.06 120.40 119.14 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 0.35 -0.75 0.00 0.00 0.00 175.10 174.70 1trv s LYS 3 N -3.56 0.25 -0.16 2.72 2.47 -1.07 -4.99 119.74 115.40 1trv s LYS 3 Ca 0.39 0.89 -0.29 0.00 -1.56 0.00 0.00 55.97 55.40 1trv s LYS 3 Cb 0.03 0.13 -0.00 0.00 -1.46 0.00 0.00 37.83 36.52 1trv s LYS 3 CO 0.25 -0.29 1.01 -1.14 0.16 0.00 0.00 175.35 175.34 1trv s GLN 4 N 2.53 4.35 -0.20 4.03 0.74 -1.26 -1.50 119.66 128.34 1trv s GLN 4 Ca 0.00 1.36 -0.17 0.00 0.05 0.00 0.00 55.36 56.59 1trv s GLN 4 Cb -0.12 -3.58 -0.03 0.00 1.10 0.00 0.00 33.01 30.37 1trv s GLN 4 CO -0.11 -0.44 0.48 0.42 -0.55 0.00 0.00 175.29 175.09 1trv s ILE 5 N 2.48 5.13 -0.11 -2.34 -1.09 -0.99 -4.94 121.20 119.36 1trv s ILE 5 Ca 0.46 0.86 0.16 0.00 -2.23 0.00 0.00 60.65 59.90 1trv s ILE 5 Cb -0.17 -3.80 -0.22 0.00 -1.58 0.00 0.00 42.46 36.69 1trv s ILE 5 CO 0.13 0.20 0.53 -0.62 -1.23 0.00 0.00 174.94 173.94 1trv n GLU 6 N 4.74 0.65 -0.09 2.79 4.71 -1.26 -4.53 120.64 127.64 1trv n GLU 6 Ca -0.06 0.16 0.00 0.00 -0.01 0.00 0.00 57.16 57.25 1trv n GLU 6 Cb 0.51 -1.71 0.00 0.00 -1.01 0.00 0.00 31.44 29.23 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 -2.88 0.00 0.09 1.62 3.41 -1.26 -4.26 113.62 110.35 1trv n SER 7 Ca -0.19 -0.09 -0.02 0.00 -0.26 0.00 0.00 58.87 58.32 1trv n SER 7 Cb 1.00 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.90 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 -0.09 4.33 3.64 -1.94 -3.08 116.57 119.43 1trv h LYS 8 Ca 0.00 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.40 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 0.67 -0.01 1.15 -2.27 0.00 0.00 179.45 179.00 1trv h THR 9 N 0.00 0.93 0.00 1.00 2.02 -2.01 -1.48 112.91 113.37 1trv h THR 9 Ca -0.03 -0.01 -0.08 0.00 0.77 0.00 0.00 66.41 67.06 1trv h THR 9 Cb 1.58 0.91 -0.01 0.00 -1.74 0.00 0.00 68.15 68.88 1trv h THR 9 CO 0.09 0.00 -0.40 0.00 0.37 0.00 0.00 175.52 175.58 1trv h ALA 10 N 1.08 1.15 0.44 6.16 0.00 -1.97 -2.74 119.26 123.38 1trv h ALA 10 Ca 0.04 -0.36 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1trv h ALA 10 Cb 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1trv h ALA 10 CO -0.08 0.50 -0.21 0.35 0.00 0.00 0.00 179.25 179.81 1trv h PHE 11 N 0.00 -0.55 -0.78 0.00 3.57 -1.21 -0.63 116.94 117.34 1trv h PHE 11 Ca -0.00 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.44 1trv h PHE 11 Cb 0.80 0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.69 1trv h PHE 11 CO 0.00 -0.31 0.32 -0.56 -2.23 0.00 0.00 178.31 175.53 1trv h GLN 12 N -0.66 1.16 -0.05 1.11 3.07 -1.32 -1.69 115.11 116.73 1trv h GLN 12 Ca -0.06 -0.21 -0.01 0.00 0.09 0.00 0.00 58.65 58.46 1trv h GLN 12 Cb 0.49 -0.19 -0.00 0.00 0.08 0.00 0.00 27.48 27.85 1trv h GLN 12 CO 0.10 0.94 -0.03 0.93 0.09 0.00 0.00 178.83 180.86 1trv h GLU 13 N 1.14 0.07 -0.17 0.06 5.08 -1.29 -1.41 114.58 118.05 1trv h GLU 13 Ca 0.26 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.58 1trv h GLU 13 Cb 0.21 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1trv h GLU 13 CO -0.02 0.10 -0.04 0.00 -1.00 0.00 0.00 179.01 178.05 1trv h ALA 14 N 1.91 0.23 0.00 3.43 0.00 -0.16 -2.04 119.26 122.63 1trv h ALA 14 Ca 0.02 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1trv h ALA 14 Cb 0.10 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1trv h ALA 14 CO 0.00 -0.01 -0.11 -0.07 0.00 0.00 0.00 179.25 179.07 1trv h LEU 15 N 0.04 0.00 -0.17 0.00 3.38 -1.16 -1.92 115.31 115.47 1trv h LEU 15 Ca 0.04 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.89 1trv h LEU 15 Cb 0.47 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.22 1trv h LEU 15 CO 0.02 0.11 -0.37 -0.78 0.09 0.00 0.00 178.44 177.51 1trv h ASP 16 N 0.00 0.62 1.03 -0.43 1.82 -0.79 -3.04 116.42 115.63 1trv h ASP 16 Ca -0.00 -0.56 -0.04 0.00 -0.39 0.00 0.00 57.03 56.04 1trv h ASP 16 Cb 0.35 -0.18 -0.01 0.00 0.68 0.00 0.00 39.33 40.18 1trv h ASP 16 CO 0.01 1.06 -0.20 0.00 -1.61 0.00 0.00 179.24 178.51 1trv h ALA 17 N 0.57 1.00 -0.12 -0.78 0.00 -0.93 -3.15 119.26 115.85 1trv h ALA 17 Ca 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1trv h ALA 17 Cb 0.97 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1trv h ALA 17 CO 0.08 0.25 0.03 0.00 0.00 0.00 0.00 179.25 179.61 1trv h ALA 18 N 1.80 0.16 0.00 0.00 0.00 -1.25 -3.47 119.26 116.50 1trv h ALA 18 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1trv h ALA 18 Cb 0.77 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.51 1trv h ALA 18 CO 0.03 -0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.48 1trv n GLY 19 N -0.47 2.08 0.00 0.00 0.00 -1.18 -3.14 105.19 102.47 1trv n GLY 19 Ca -0.06 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 5.34 0.09 -4.82 1.61 2.03 -1.26 -4.37 116.55 115.17 1trv n ASP 20 Ca 0.00 -1.02 -0.32 0.00 0.52 0.00 0.00 54.79 53.97 1trv n ASP 20 Cb 0.00 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.43 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 -0.02 3.13 0.88 -0.67 1.02 -1.19 -4.75 119.74 118.14 1trv s LYS 21 Ca 0.00 1.04 -0.10 0.00 0.02 0.00 0.00 55.97 56.93 1trv s LYS 21 Cb 0.00 -2.01 0.13 0.00 -0.52 0.00 0.00 37.83 35.42 1trv s LYS 21 CO 0.00 -0.95 1.14 -1.17 -0.92 0.00 0.00 175.35 173.45 1trv s LEU 22 N -5.10 2.90 -0.31 3.17 0.20 -1.26 -4.56 118.68 113.71 1trv s LEU 22 Ca 0.60 2.15 0.01 0.00 0.69 0.00 0.00 54.13 57.58 1trv s LEU 22 Cb -0.14 -4.56 0.15 0.00 -0.43 0.00 0.00 46.19 41.20 1trv s LEU 22 CO 0.47 -2.91 0.34 -0.69 -0.29 0.00 0.00 176.35 173.27 1trv s VAL 23 N -2.65 -0.44 0.58 1.68 1.01 -0.21 -2.82 120.40 117.55 1trv s VAL 23 Ca 0.66 -0.56 -0.03 0.00 0.00 0.00 0.00 61.98 62.05 1trv s VAL 23 Cb -0.22 -0.91 0.03 0.00 0.00 0.00 0.00 36.38 35.27 1trv s VAL 23 CO 0.57 -0.45 0.85 -0.69 0.00 0.00 0.00 175.10 175.38 1trv s VAL 24 N 2.19 3.14 0.02 2.92 1.01 -0.60 -0.28 120.40 128.78 1trv s VAL 24 Ca 0.11 -0.32 -0.01 0.00 0.00 0.00 0.00 61.98 61.76 1trv s VAL 24 Cb -0.14 -3.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.99 1trv s VAL 24 CO -0.26 -0.21 -0.01 -0.69 0.00 0.00 0.00 175.10 173.93 1trv s VAL 25 N -2.91 0.11 -0.26 2.92 1.01 -0.53 -2.50 120.40 118.22 1trv s VAL 25 Ca 0.55 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.67 1trv s VAL 25 Cb -0.10 -0.28 0.07 0.00 0.00 0.00 0.00 36.38 36.06 1trv s VAL 25 CO 0.42 -0.48 -0.05 -0.62 0.00 0.00 0.00 175.10 174.36 1trv s ASP 26 N -1.45 4.24 -0.55 3.32 2.15 -1.02 -2.94 116.67 120.43 1trv s ASP 26 Ca -0.16 -1.44 -0.16 0.00 0.43 0.00 0.00 52.55 51.22 1trv s ASP 26 Cb -0.10 -1.38 0.12 0.00 -0.30 0.00 0.00 42.92 41.26 1trv s ASP 26 CO -0.01 -0.25 0.53 -0.36 -0.17 0.00 0.00 175.17 174.91 1trv s PHE 27 N 1.21 3.21 0.00 -5.34 0.40 -0.09 -1.54 117.98 115.83 1trv s PHE 27 Ca -0.04 -1.22 0.00 0.00 -0.60 0.00 0.00 56.93 55.07 1trv s PHE 27 Cb -0.19 -3.81 0.00 0.00 0.51 0.00 0.00 43.02 39.53 1trv s PHE 27 CO -0.07 -1.05 0.00 0.43 0.70 0.00 0.00 175.22 175.23 1trv n SER 28 N 5.42 1.59 -3.69 1.36 7.64 -1.14 -1.66 113.62 123.15 1trv n SER 28 Ca -0.13 -0.74 -0.26 0.00 1.01 0.00 0.00 58.87 58.74 1trv n SER 28 Cb 0.41 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.44 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 0.72 0.03 -0.43 0.00 -1.26 -3.08 121.76 115.74 1trv s ALA 29 Ca 0.00 -0.46 -0.26 0.00 0.00 0.00 0.00 51.96 51.24 1trv s ALA 29 Cb 0.00 -1.06 -0.17 0.00 0.00 0.00 0.00 23.12 21.88 1trv s ALA 29 CO 0.00 -1.08 1.45 0.00 0.00 0.00 0.00 175.76 176.12 1trv h THR 30 N 6.46 0.90 -0.36 0.00 1.03 -1.95 -2.09 112.91 116.90 1trv h THR 30 Ca -0.16 -0.46 0.10 0.00 -0.01 0.00 0.00 66.41 65.89 1trv h THR 30 Cb 1.13 1.18 -0.01 0.00 -1.07 0.00 0.00 68.15 69.38 1trv h THR 30 CO 0.30 0.11 0.60 4.11 -0.01 0.00 0.00 175.52 180.63 1trv h TRP 31 N -0.48 0.00 -3.54 0.00 5.08 -2.02 -3.40 115.95 111.60 1trv h TRP 31 Ca -0.03 0.00 -0.50 0.00 1.08 0.00 0.00 58.89 59.44 1trv h TRP 31 Cb 0.36 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.53 1trv h TRP 31 CO 0.00 0.00 0.04 0.00 -1.28 0.00 0.00 178.44 177.20 1trv n GLY 33 N -1.24 -0.63 0.23 0.00 0.00 -1.26 -3.94 105.19 98.35 1trv n GLY 33 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -0.31 0.17 -0.00 1.61 0.11 -1.96 0.48 132.00 132.10 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 0.19 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.26 1trv h PRO 34 CO 0.00 0.11 0.00 0.00 -0.21 0.00 0.00 178.00 177.91 1trv h LYS 36 N 0.00 0.00 0.00 0.00 3.64 -0.24 -3.29 116.57 116.68 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 0.49 0.00 -1.33 -2.27 0.00 0.00 179.45 176.34 1trv n MET 37 N -3.05 0.15 -0.03 1.90 2.81 -0.19 -2.32 117.12 116.38 1trv n MET 37 Ca -0.11 0.15 0.12 0.00 -1.81 0.00 0.00 57.70 56.05 1trv n MET 37 Cb 0.94 -1.50 0.13 0.00 -0.71 0.00 0.00 33.22 32.08 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 -1.38 0.08 0.09 2.02 5.41 -1.14 -4.34 119.36 120.09 1trv n ILE 38 Ca 0.07 -0.53 -0.04 0.00 1.00 0.00 0.00 62.75 63.24 1trv n ILE 38 Cb 0.18 1.39 -0.06 0.00 -0.71 0.00 0.00 39.64 40.43 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 4.61 0.00 0.00 0.38 2.10 -1.63 -3.12 116.57 118.91 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 0.98 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.31 1trv h LYS 39 CO 0.00 0.85 0.00 -2.30 -2.00 0.00 0.00 179.45 176.00 1trv n PRO 40 N -3.35 0.14 -0.07 0.07 -0.02 -1.26 -0.06 135.00 130.45 1trv n PRO 40 Ca 0.00 0.45 -0.05 0.00 -2.02 0.00 0.00 63.50 61.89 1trv n PRO 40 Cb 0.87 -1.81 -0.03 0.00 -0.02 0.00 0.00 33.50 32.51 1trv n PRO 40 CO 0.00 0.00 0.00 0.74 1.98 0.00 0.00 175.50 178.22 1trv h PHE 41 N 0.00 0.00 -0.40 6.00 -1.00 -1.82 -2.95 116.94 116.77 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 0.23 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 39.77 1trv h PHE 41 CO 0.00 0.21 0.24 0.35 -1.61 0.00 0.00 178.31 177.50 1trv h PHE 42 N -1.00 0.54 0.00 -0.55 3.57 -1.52 -1.79 116.94 116.19 1trv h PHE 42 Ca -0.03 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.45 1trv h PHE 42 Cb 0.42 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.98 1trv h PHE 42 CO -0.07 0.39 -0.08 1.25 -2.23 0.00 0.00 178.31 177.58 1trv h HIS 43 N 0.53 0.00 -0.21 0.41 2.76 -0.65 -1.63 115.15 116.36 1trv h HIS 43 Ca 0.14 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.22 1trv h HIS 43 Cb 0.02 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 28.97 1trv h HIS 43 CO -0.03 0.08 -0.27 1.03 -1.30 0.00 0.00 177.93 177.43 1trv h SER 44 N 0.00 0.40 -0.21 3.26 0.87 -1.14 -2.09 113.55 114.64 1trv h SER 44 Ca -0.00 -0.13 0.06 0.00 -1.23 0.00 0.00 61.79 60.49 1trv h SER 44 Cb 0.19 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 1trv h SER 44 CO 0.01 0.67 0.20 -0.07 -0.53 0.00 0.00 176.83 177.11 1trv h LEU 45 N 0.35 0.00 -0.57 2.23 3.38 -1.20 -2.09 115.31 117.41 1trv h LEU 45 Ca 0.05 0.00 0.11 0.00 0.09 0.00 0.00 57.88 58.13 1trv h LEU 45 Cb 0.66 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.32 1trv h LEU 45 CO 0.05 0.00 0.05 0.28 0.09 0.00 0.00 178.44 178.91 1trv h SER 46 N 0.00 -0.15 1.10 -0.43 0.02 -1.47 0.43 113.55 113.06 1trv h SER 46 Ca 0.10 0.12 -0.00 0.00 -0.84 0.00 0.00 61.79 61.17 1trv h SER 46 Cb 0.50 0.20 -0.00 0.00 0.14 0.00 0.00 62.40 63.24 1trv h SER 46 CO -0.00 -0.05 -0.90 -0.33 -1.14 0.00 0.00 176.83 174.41 1trv h GLU 47 N 0.17 0.00 0.00 3.45 5.08 -1.57 -3.19 114.58 118.52 1trv h GLU 47 Ca 0.29 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.50 1trv h GLU 47 Cb 0.45 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 1trv h GLU 47 CO -0.44 0.01 -0.89 -0.22 -1.00 0.00 0.00 179.01 176.46 1trv h LYS 48 N 0.00 0.00 -2.23 2.33 1.63 -1.01 -3.38 116.57 113.91 1trv h LYS 48 Ca -0.00 0.00 -0.59 0.00 -0.85 0.00 0.00 60.65 59.21 1trv h LYS 48 Cb 1.01 0.00 -0.41 0.00 -0.60 0.00 0.00 32.23 32.24 1trv h LYS 48 CO 0.00 0.55 -0.82 0.66 -3.45 0.00 0.00 179.45 176.39 1trv n TYR 49 N -3.16 1.72 0.83 1.91 4.01 0.14 -4.90 117.16 117.71 1trv n TYR 49 Ca -0.02 -3.88 0.06 0.00 -0.16 0.00 0.00 57.90 53.90 1trv n TYR 49 Cb 0.82 -0.41 0.36 0.00 -0.31 0.00 0.00 39.34 39.79 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 1.35 0.00 -1.33 7.72 3.41 -1.25 -1.66 113.62 121.86 1trv n SER 50 Ca 0.26 -0.45 0.11 0.00 -0.26 0.00 0.00 58.87 58.53 1trv n SER 50 Cb 0.45 0.00 0.32 0.00 -0.26 0.00 0.00 64.21 64.72 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 -0.96 3.88 -4.18 4.04 5.15 -1.26 -4.87 115.26 117.06 1trv n ASN 51 Ca 0.09 -2.05 -0.17 0.00 -0.60 0.00 0.00 54.58 51.85 1trv n ASN 51 Cb 0.04 -0.48 -0.12 0.00 -0.53 0.00 0.00 39.78 38.69 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 -1.15 1.08 -0.30 3.44 1.01 -0.66 -4.68 120.40 119.14 1trv s VAL 52 Ca 0.47 -1.42 -0.11 0.00 0.00 0.00 0.00 61.98 60.93 1trv s VAL 52 Cb 0.25 -1.17 -0.03 0.00 0.00 0.00 0.00 36.38 35.43 1trv s VAL 52 CO 0.31 -0.33 0.18 -0.63 0.00 0.00 0.00 175.10 174.63 1trv s ILE 53 N -1.64 5.04 -0.10 2.22 -1.09 -1.13 -4.67 121.20 119.83 1trv s ILE 53 Ca 0.01 -0.10 -0.01 0.00 -2.23 0.00 0.00 60.65 58.31 1trv s ILE 53 Cb -0.08 -3.48 -0.03 0.00 -1.58 0.00 0.00 42.46 37.29 1trv s ILE 53 CO 0.02 0.15 -0.05 -0.36 -1.23 0.00 0.00 174.94 173.47 1trv s PHE 54 N 1.70 3.00 0.37 3.97 0.08 -1.26 -1.56 117.98 124.28 1trv s PHE 54 Ca 0.06 -0.09 0.08 0.00 0.12 0.00 0.00 56.93 57.10 1trv s PHE 54 Cb -0.16 -1.82 -0.05 0.00 -0.57 0.00 0.00 43.02 40.42 1trv s PHE 54 CO 0.09 0.20 0.13 -0.51 -0.10 0.00 0.00 175.22 175.03 1trv s LEU 55 N -0.36 3.13 -0.26 -0.37 1.02 -1.04 -2.61 118.68 118.19 1trv s LEU 55 Ca 0.06 -0.96 -0.04 0.00 0.02 0.00 0.00 54.13 53.20 1trv s LEU 55 Cb -0.12 -1.51 0.09 0.00 0.02 0.00 0.00 46.19 44.66 1trv s LEU 55 CO 0.02 -0.40 0.13 -0.70 0.02 0.00 0.00 176.35 175.42 1trv s GLU 56 N -3.84 0.17 -0.01 1.70 2.12 -0.56 -2.44 118.70 115.83 1trv s GLU 56 Ca 0.39 -0.39 0.00 0.00 0.36 0.00 0.00 54.97 55.32 1trv s GLU 56 Cb 0.01 -1.29 -0.04 0.00 0.26 0.00 0.00 34.13 33.07 1trv s GLU 56 CO 0.22 -0.93 0.06 0.08 -0.54 0.00 0.00 175.26 174.15 1trv s VAL 57 N 2.13 4.57 -0.21 3.70 1.01 -0.59 -2.34 120.40 128.67 1trv s VAL 57 Ca 0.07 -0.45 -0.04 0.00 0.00 0.00 0.00 61.98 61.56 1trv s VAL 57 Cb -0.16 -3.08 -0.01 0.00 0.00 0.00 0.00 36.38 33.14 1trv s VAL 57 CO -0.30 0.36 -0.05 -0.62 0.00 0.00 0.00 175.10 174.49 1trv s ASP 58 N -1.67 4.29 0.00 3.32 2.15 -1.26 -2.86 116.67 120.63 1trv s ASP 58 Ca 0.22 -0.38 0.07 0.00 0.43 0.00 0.00 52.55 52.89 1trv s ASP 58 Cb -0.12 -1.73 0.38 0.00 -0.30 0.00 0.00 42.92 41.15 1trv s ASP 58 CO 0.13 0.00 1.02 1.33 -0.17 0.00 0.00 175.17 177.48 1trv n VAL 59 N 4.64 0.57 -0.11 1.11 0.24 -1.18 0.14 118.33 123.74 1trv n VAL 59 Ca -0.18 0.14 -0.20 0.00 -2.04 0.00 0.00 64.34 62.07 1trv n VAL 59 Cb 0.51 -1.03 -0.09 0.00 -1.47 0.00 0.00 33.84 31.76 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 -1.19 2.01 0.02 -1.34 9.92 -1.26 -3.71 116.55 121.00 1trv n ASP 60 Ca 0.04 0.06 -0.12 0.00 -0.53 0.00 0.00 54.79 54.24 1trv n ASP 60 Cb 0.04 -0.50 -0.14 0.00 -0.64 0.00 0.00 41.12 39.89 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 -0.38 0.17 -0.69 -2.24 3.58 -1.88 -3.36 116.42 111.62 1trv h ASP 61 Ca -0.53 -0.29 -0.48 0.00 0.42 0.00 0.00 57.03 56.14 1trv h ASP 61 Cb 1.65 -0.06 -0.32 0.00 1.72 0.00 0.00 39.33 42.32 1trv h ASP 61 CO -0.20 1.25 -0.29 0.00 -2.88 0.00 0.00 179.24 177.11 1trv n ALA 62 N -2.62 5.12 0.15 -0.78 0.00 0.12 -4.74 120.51 117.77 1trv n ALA 62 Ca -0.16 -3.58 0.07 0.00 0.00 0.00 0.00 53.44 49.77 1trv n ALA 62 Cb 1.03 -0.72 0.40 0.00 0.00 0.00 0.00 19.45 20.16 1trv n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1trv n GLN 63 N -0.86 0.10 -0.07 0.00 10.64 -1.22 -0.60 117.38 125.37 1trv n GLN 63 Ca 0.45 0.57 -0.14 0.00 -1.83 0.00 0.00 57.00 56.06 1trv n GLN 63 Cb 0.90 -2.01 -0.02 0.00 -0.86 0.00 0.00 30.24 28.26 1trv n GLN 63 CO 0.00 0.00 0.00 0.38 -1.83 0.00 0.00 177.06 175.61 1trv h ASP 64 N 0.00 0.93 0.70 2.61 2.03 -1.90 -2.37 116.42 118.42 1trv h ASP 64 Ca 0.00 -0.48 -0.25 0.00 -0.73 0.00 0.00 57.03 55.57 1trv h ASP 64 Cb 0.38 -0.26 -0.00 0.00 -0.83 0.00 0.00 39.33 38.61 1trv h ASP 64 CO 0.00 1.26 -1.14 0.58 -1.03 0.00 0.00 179.24 178.91 1trv h VAL 65 N 0.66 1.55 -0.58 4.15 2.07 -1.17 -3.24 116.25 119.68 1trv h VAL 65 Ca 0.03 -3.08 -0.03 0.00 0.82 0.00 0.00 66.70 64.43 1trv h VAL 65 Cb 1.10 2.86 -0.03 0.00 -1.52 0.00 0.00 31.29 33.70 1trv h VAL 65 CO 0.11 0.90 0.23 0.00 0.02 0.00 0.00 177.57 178.83 1trv h ALA 66 N 0.72 1.31 0.00 1.67 0.00 -1.45 -1.45 119.26 120.06 1trv h ALA 66 Ca -0.10 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 1trv h ALA 66 Cb 1.87 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 1trv h ALA 66 CO 0.18 0.51 -0.22 1.03 0.00 0.00 0.00 179.25 180.75 1trv h SER 67 N 0.83 0.00 0.85 0.00 0.87 -1.45 0.28 113.55 114.93 1trv h SER 67 Ca 0.20 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.72 1trv h SER 67 Cb 0.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.13 1trv h SER 67 CO -0.02 0.22 -0.44 -0.08 -0.53 0.00 0.00 176.83 175.99 1trv h GLU 68 N 0.00 -1.14 -0.00 2.24 4.22 -1.30 -2.20 114.58 116.40 1trv h GLU 68 Ca -0.00 0.08 0.00 0.00 0.08 0.00 0.00 59.36 59.52 1trv h GLU 68 Cb 0.43 0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.94 1trv h GLU 68 CO 0.03 -0.76 -0.02 0.00 -2.18 0.00 0.00 179.01 176.08 1trv n ALA 69 N -2.63 2.65 -3.40 2.92 0.00 -1.15 -4.94 120.51 113.97 1trv n ALA 69 Ca -0.15 -0.23 -0.15 0.00 0.00 0.00 0.00 53.44 52.91 1trv n ALA 69 Cb 0.48 -1.43 0.02 0.00 0.00 0.00 0.00 19.45 18.51 1trv n ALA 69 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1trv n GLU 70 N -0.88 -1.44 -2.80 0.00 1.02 0.92 -4.87 120.64 112.59 1trv n GLU 70 Ca 0.20 1.02 -0.43 0.00 -0.02 0.00 0.00 57.16 57.94 1trv n GLU 70 Cb 0.20 -4.54 -0.04 0.00 -0.02 0.00 0.00 31.44 27.04 1trv n GLU 70 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1trv s VAL 71 N -3.14 4.33 -0.20 2.62 1.01 -0.88 -4.84 120.40 119.30 1trv s VAL 71 Ca 0.15 0.39 0.16 0.00 0.00 0.00 0.00 61.98 62.67 1trv s VAL 71 Cb -0.04 -4.57 0.58 0.00 0.00 0.00 0.00 36.38 32.35 1trv s VAL 71 CO 0.81 -1.14 1.49 0.29 0.00 0.00 0.00 175.10 176.55 1trv n LYS 72 N 7.61 3.15 -3.20 2.72 5.02 -1.26 -4.84 118.16 127.36 1trv n LYS 72 Ca 0.03 -2.92 -0.00 0.00 -2.02 0.00 0.00 58.31 53.40 1trv n LYS 72 Cb 0.48 -1.92 -0.02 0.00 -0.02 0.00 0.00 35.03 33.55 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 -2.86 -2.02 0.13 7.82 0.00 -1.26 -5.16 121.76 118.42 1trv s ALA 73 Ca 0.45 0.89 0.03 0.00 0.00 0.00 0.00 51.96 53.33 1trv s ALA 73 Cb 0.36 -2.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.09 1trv s ALA 73 CO 0.09 -1.75 0.22 0.95 0.00 0.00 0.00 175.76 175.27 1trv s THR 74 N 2.74 5.06 0.74 0.00 -4.23 -1.26 -4.19 115.64 114.50 1trv s THR 74 Ca 0.11 -0.74 -0.11 0.00 -1.18 0.00 0.00 61.69 59.76 1trv s THR 74 Cb -0.11 -3.56 0.03 0.00 1.34 0.00 0.00 72.50 70.20 1trv s THR 74 CO -0.26 -0.04 1.09 -2.16 -0.54 0.00 0.00 174.62 172.70 1trv s PRO 75 N -3.01 2.57 -0.03 3.99 0.04 -1.26 -4.92 135.00 132.38 1trv s PRO 75 Ca 0.33 0.66 -0.12 0.00 0.04 0.00 0.00 61.00 61.91 1trv s PRO 75 Cb -0.11 -1.97 0.02 0.00 0.04 0.00 0.00 34.50 32.47 1trv s PRO 75 CO 0.27 -1.28 0.26 0.99 0.04 0.00 0.00 177.00 177.27 1trv s THR 76 N -3.19 0.05 0.03 1.26 2.01 -0.66 -3.24 115.64 111.89 1trv s THR 76 Ca 0.59 -0.44 0.07 0.00 0.31 0.00 0.00 61.69 62.22 1trv s THR 76 Cb -0.13 -0.53 -0.02 0.00 0.01 0.00 0.00 72.50 71.83 1trv s THR 76 CO 0.54 -0.24 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.66 1trv s PHE 77 N -1.06 1.78 0.02 4.92 0.40 -0.94 -0.92 117.98 122.19 1trv s PHE 77 Ca -0.11 -0.36 0.05 0.00 -0.60 0.00 0.00 56.93 55.90 1trv s PHE 77 Cb -0.05 -1.08 -0.02 0.00 0.51 0.00 0.00 43.02 42.38 1trv s PHE 77 CO 0.03 0.06 -0.15 -0.65 0.70 0.00 0.00 175.22 175.21 1trv s GLN 78 N -0.98 1.04 -0.31 0.44 -0.21 -1.15 -2.27 119.66 116.23 1trv s GLN 78 Ca 0.07 -0.70 -0.08 0.00 0.02 0.00 0.00 55.36 54.67 1trv s GLN 78 Cb -0.08 -1.05 0.01 0.00 1.00 0.00 0.00 33.01 32.89 1trv s GLN 78 CO 0.01 0.27 0.11 -0.06 -2.12 0.00 0.00 175.29 173.50 1trv s PHE 79 N -0.69 3.17 0.09 0.91 0.40 0.99 -1.46 117.98 121.39 1trv s PHE 79 Ca 0.03 -0.93 0.08 0.00 -0.60 0.00 0.00 56.93 55.51 1trv s PHE 79 Cb -0.07 -2.29 -0.04 0.00 0.51 0.00 0.00 43.02 41.13 1trv s PHE 79 CO 0.01 -0.57 -0.18 -0.06 0.70 0.00 0.00 175.22 175.12 1trv s PHE 80 N 1.52 2.54 -0.18 0.36 0.08 0.61 -1.90 117.98 121.01 1trv s PHE 80 Ca 0.03 -0.26 -0.11 0.00 0.12 0.00 0.00 56.93 56.71 1trv s PHE 80 Cb -0.17 -1.39 0.06 0.00 -0.57 0.00 0.00 43.02 40.95 1trv s PHE 80 CO 0.04 0.34 0.43 0.21 -0.10 0.00 0.00 175.22 176.14 1trv s LYS 81 N -1.90 0.44 -1.05 0.44 2.20 -0.85 -1.05 119.74 117.96 1trv s LYS 81 Ca 0.17 0.79 0.00 0.00 -0.36 0.00 0.00 55.97 56.57 1trv s LYS 81 Cb -0.11 0.03 0.00 0.00 -1.51 0.00 0.00 37.83 36.25 1trv s LYS 81 CO 0.08 -0.14 0.00 1.63 -0.36 0.00 0.00 175.35 176.56 1trv n LYS 82 N 4.02 -1.47 -1.70 4.03 5.02 -1.26 0.82 118.16 127.62 1trv n LYS 82 Ca -0.21 0.66 0.00 0.00 -2.02 0.00 0.00 58.31 56.74 1trv n LYS 82 Cb 0.56 -4.78 0.00 0.00 -0.02 0.00 0.00 35.03 30.78 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 -0.03 0.56 2.84 0.72 0.00 -1.26 -5.05 105.19 102.97 1trv n GLY 83 Ca -0.10 -0.79 -0.24 0.00 0.00 0.00 0.00 46.02 44.89 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 -3.52 0.99 -0.01 1.61 -1.52 0.24 -5.10 119.66 112.36 1trv s GLN 84 Ca 0.00 -0.06 -0.30 0.00 -1.95 0.00 0.00 55.36 53.05 1trv s GLN 84 Cb 0.00 -1.18 -0.07 0.00 -0.22 0.00 0.00 33.01 31.54 1trv s GLN 84 CO 0.00 -0.25 1.65 0.21 -0.25 0.00 0.00 175.29 176.65 1trv s LYS 85 N 1.70 4.19 0.00 2.91 2.20 -1.26 -2.01 119.74 127.47 1trv s LYS 85 Ca 0.02 2.24 0.00 0.00 -0.36 0.00 0.00 55.97 57.87 1trv s LYS 85 Cb -0.13 -3.85 0.00 0.00 -1.51 0.00 0.00 37.83 32.34 1trv s LYS 85 CO -0.05 -0.80 0.38 1.33 -0.36 0.00 0.00 175.35 175.85 1trv n VAL 86 N 5.20 0.00 -3.58 4.02 0.24 -0.80 -4.98 118.33 118.43 1trv n VAL 86 Ca 0.17 -0.49 -0.08 0.00 -2.04 0.00 0.00 64.34 61.89 1trv n VAL 86 Cb 0.42 1.01 -0.04 0.00 -1.47 0.00 0.00 33.84 33.76 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 -0.23 -0.26 -0.18 7.63 0.00 -1.21 -5.01 107.32 108.07 1trv s GLY 87 Ca 0.00 1.91 -0.31 0.00 0.00 0.00 0.00 44.72 46.32 1trv s GLY 87 CO 0.00 0.86 1.12 -1.83 0.00 0.00 0.00 173.10 173.25 1trv s GLU 88 N -1.60 0.42 -0.09 2.90 -1.05 -1.26 -0.01 118.70 118.01 1trv s GLU 88 Ca 0.02 -0.01 -0.31 0.00 -0.15 0.00 0.00 54.97 54.52 1trv s GLU 88 Cb -0.01 0.20 0.12 0.00 -0.44 0.00 0.00 34.13 34.00 1trv s GLU 88 CO -0.02 -0.15 1.03 -0.59 0.95 0.00 0.00 175.26 176.47 1trv s PHE 89 N -1.67 -0.26 0.00 4.83 -0.12 -0.96 -5.01 117.98 114.79 1trv s PHE 89 Ca 0.04 0.19 0.05 0.00 -0.05 0.00 0.00 56.93 57.17 1trv s PHE 89 Cb -0.01 0.52 -0.02 0.00 -0.63 0.00 0.00 43.02 42.89 1trv s PHE 89 CO -0.04 -0.39 -0.17 -1.54 -0.05 0.00 0.00 175.22 173.04 1trv s SER 90 N -2.23 1.99 0.00 1.98 1.04 -1.26 -2.21 113.70 113.01 1trv s SER 90 Ca 0.06 -0.35 0.00 0.00 0.48 0.00 0.00 55.95 56.14 1trv s SER 90 Cb -0.01 -0.20 0.00 0.00 0.10 0.00 0.00 66.02 65.91 1trv s SER 90 CO -0.06 0.18 0.00 0.61 0.98 0.00 0.00 173.24 174.94 1trv n GLY 91 N 2.45 4.20 1.65 7.32 0.00 -1.20 -4.96 105.19 114.65 1trv n GLY 91 Ca -0.15 -0.47 -0.04 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.28 4.71 -3.40 4.61 0.00 -1.26 -4.69 120.51 119.19 1trv n ALA 92 Ca 0.00 -0.56 -0.44 0.00 0.00 0.00 0.00 53.44 52.44 1trv n ALA 92 Cb 0.00 -1.39 -0.02 0.00 0.00 0.00 0.00 19.45 18.04 1trv n ALA 92 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1trv s ASN 93 N 1.97 6.91 0.52 0.00 3.84 -1.26 -4.86 114.94 122.05 1trv s ASN 93 Ca 0.20 -3.37 0.18 0.00 0.21 0.00 0.00 52.86 50.07 1trv s ASN 93 Cb 0.10 -2.15 1.29 0.00 -0.55 0.00 0.00 41.25 39.94 1trv s ASN 93 CO -0.00 -0.34 2.12 0.07 -2.79 0.00 0.00 177.10 176.15 1trv h LYS 94 N 6.85 0.01 -0.10 0.43 2.10 -1.97 -0.79 116.57 123.09 1trv h LYS 94 Ca 0.15 -0.00 -0.09 0.00 -2.00 0.00 0.00 60.65 58.71 1trv h LYS 94 Cb 0.91 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.22 1trv h LYS 94 CO 0.92 0.00 -0.36 0.93 -2.00 0.00 0.00 179.45 178.94 1trv h GLU 95 N 0.01 0.20 -0.27 0.07 5.08 -1.99 -2.66 114.58 115.02 1trv h GLU 95 Ca 0.05 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1trv h GLU 95 Cb 0.21 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1trv h GLU 95 CO -0.00 0.54 0.05 -0.22 -1.00 0.00 0.00 179.01 178.37 1trv h LYS 96 N 0.17 0.39 -0.84 2.33 3.64 -1.55 -1.81 116.57 118.90 1trv h LYS 96 Ca 0.02 -0.06 0.19 0.00 -1.27 0.00 0.00 60.65 59.53 1trv h LYS 96 Cb 0.73 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.42 1trv h LYS 96 CO 0.05 0.38 0.57 -0.07 -2.27 0.00 0.00 179.45 178.11 1trv h LEU 97 N 0.38 0.33 0.44 5.20 3.38 -1.49 0.20 115.31 123.75 1trv h LEU 97 Ca 0.09 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1trv h LEU 97 Cb 0.18 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1trv h LEU 97 CO -0.00 0.14 -0.21 -0.08 0.09 0.00 0.00 178.44 178.38 1trv h GLU 98 N 0.34 -0.57 -0.12 1.13 4.81 -1.46 0.20 114.58 118.90 1trv h GLU 98 Ca 0.43 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.73 1trv h GLU 98 Cb 1.14 0.13 -0.00 0.00 0.63 0.00 0.00 28.75 30.65 1trv h GLU 98 CO -0.13 -0.38 0.09 0.00 -0.73 0.00 0.00 179.01 177.86 1trv h ALA 99 N -1.67 2.04 -0.08 2.92 0.00 -1.54 -2.20 119.26 118.73 1trv h ALA 99 Ca -0.06 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1trv h ALA 99 Cb 0.45 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1trv h ALA 99 CO 0.10 -0.15 -0.16 1.15 0.00 0.00 0.00 179.25 180.19 1trv h THR 100 N 0.00 1.41 -0.61 0.00 2.02 -0.42 -2.90 112.91 112.40 1trv h THR 100 Ca 0.06 -1.46 0.03 0.00 0.77 0.00 0.00 66.41 65.81 1trv h THR 100 Cb 0.24 2.18 -0.03 0.00 -1.74 0.00 0.00 68.15 68.79 1trv h THR 100 CO -0.00 0.41 0.40 0.40 0.37 0.00 0.00 175.52 177.10 1trv h ILE 101 N -0.23 1.09 0.00 3.11 2.04 -0.02 0.46 117.51 123.96 1trv h ILE 101 Ca 0.00 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.61 1trv h ILE 101 Cb 0.74 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1trv h ILE 101 CO 0.04 0.13 0.00 -3.20 0.00 0.00 0.00 178.15 175.12 1trv n ASN 102 N -4.46 0.00 -0.04 1.72 2.85 -0.92 -1.86 115.26 112.55 1trv n ASN 102 Ca 0.07 -0.59 -0.08 0.00 -0.11 0.00 0.00 54.58 53.87 1trv n ASN 102 Cb 0.12 -0.08 -0.07 0.00 1.24 0.00 0.00 39.78 40.99 1trv n ASN 102 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 1trv h GLU 103 N 0.00 -0.04 -0.45 1.20 4.57 0.13 -3.35 114.58 116.65 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 0.06 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1trv h GLU 103 CO 0.00 0.50 0.00 1.28 -1.18 0.00 0.00 179.01 179.61 1trv n LEU 104 N -4.73 4.78 0.00 1.64 4.77 -1.21 -5.13 117.00 117.12 1trv n LEU 104 Ca -0.06 -2.88 0.02 0.00 -0.03 0.00 0.00 56.01 53.06 1trv n LEU 104 Cb 0.27 -0.60 0.09 0.00 -2.33 0.00 0.00 43.42 40.85 1trv n LEU 104 CO 0.20 0.67 0.33 0.55 -1.33 0.00 0.00 177.39 177.82