#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 0.09 -0.17 2.03 1.01 -1.26 -4.19 120.40 117.91 1trv s VAL 2 Ca 0.00 -2.00 -0.07 0.00 0.00 0.00 0.00 61.98 59.91 1trv s VAL 2 Cb 0.00 -2.50 0.08 0.00 0.00 0.00 0.00 36.38 33.96 1trv s VAL 2 CO 0.00 0.00 0.37 -0.75 0.00 0.00 0.00 175.10 174.72 1trv s LYS 3 N -3.75 0.28 -0.04 2.72 2.36 -1.18 -5.01 119.74 115.12 1trv s LYS 3 Ca 0.39 0.89 -0.30 0.00 -2.55 0.00 0.00 55.97 54.40 1trv s LYS 3 Cb 0.04 0.15 -0.02 0.00 -1.05 0.00 0.00 37.83 36.95 1trv s LYS 3 CO 0.20 -0.24 0.99 -1.14 1.55 0.00 0.00 175.35 176.71 1trv s GLN 4 N 2.26 4.50 -0.13 4.03 0.74 -1.26 -1.27 119.66 128.53 1trv s GLN 4 Ca -0.03 1.40 -0.18 0.00 0.05 0.00 0.00 55.36 56.60 1trv s GLN 4 Cb -0.11 -3.49 -0.04 0.00 1.10 0.00 0.00 33.01 30.46 1trv s GLN 4 CO -0.11 -0.16 0.48 0.42 -0.55 0.00 0.00 175.29 175.36 1trv s ILE 5 N 1.42 5.18 -0.10 -2.34 -1.09 -0.51 -4.94 121.20 118.82 1trv s ILE 5 Ca 0.50 0.94 0.11 0.00 -2.23 0.00 0.00 60.65 59.97 1trv s ILE 5 Cb -0.20 -3.81 -0.24 0.00 -1.58 0.00 0.00 42.46 36.63 1trv s ILE 5 CO 0.24 0.31 0.44 -0.62 -1.23 0.00 0.00 174.94 174.07 1trv n GLU 6 N 3.83 0.66 -0.21 2.79 4.71 -1.26 -4.45 120.64 126.71 1trv n GLU 6 Ca -0.07 0.22 0.00 0.00 -0.01 0.00 0.00 57.16 57.30 1trv n GLU 6 Cb 0.51 -1.71 0.00 0.00 -1.01 0.00 0.00 31.44 29.24 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 -3.05 0.00 0.15 1.62 3.41 -1.26 -4.00 113.62 110.49 1trv n SER 7 Ca -0.24 -0.21 0.03 0.00 -0.26 0.00 0.00 58.87 58.19 1trv n SER 7 Cb 1.07 0.00 0.09 0.00 -0.26 0.00 0.00 64.21 65.12 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 0.01 4.33 3.64 -1.93 -3.06 116.57 119.56 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 0.50 -0.04 1.15 -2.27 0.00 0.00 179.45 178.79 1trv h THR 9 N 0.00 0.90 -0.07 1.00 2.02 -2.00 -1.53 112.91 113.23 1trv h THR 9 Ca -0.00 0.00 -0.10 0.00 0.77 0.00 0.00 66.41 67.08 1trv h THR 9 Cb 1.29 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 68.59 1trv h THR 9 CO 0.06 0.00 -0.40 0.00 0.37 0.00 0.00 175.52 175.56 1trv h ALA 10 N 0.92 1.20 -0.05 6.16 0.00 -1.97 -2.53 119.26 122.98 1trv h ALA 10 Ca 0.01 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1trv h ALA 10 Cb 0.09 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1trv h ALA 10 CO -0.04 0.56 0.03 0.35 0.00 0.00 0.00 179.25 180.15 1trv h PHE 11 N 0.13 0.05 -0.11 0.00 3.57 -1.29 0.28 116.94 119.58 1trv h PHE 11 Ca 0.01 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 1trv h PHE 11 Cb 0.77 -0.02 -0.00 0.00 2.79 0.00 0.00 35.95 39.49 1trv h PHE 11 CO 0.01 0.03 0.03 1.96 -2.23 0.00 0.00 178.31 178.12 1trv h GLN 12 N 0.06 0.17 0.00 1.11 4.20 -1.20 -2.27 115.11 117.18 1trv h GLN 12 Ca 0.02 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.69 1trv h GLN 12 Cb -0.00 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 27.75 1trv h GLN 12 CO -0.01 0.31 -0.02 0.93 -0.67 0.00 0.00 178.83 179.38 1trv h GLU 13 N -0.01 0.00 -0.22 1.46 5.08 -1.26 -1.75 114.58 117.88 1trv h GLU 13 Ca 0.04 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.34 1trv h GLU 13 Cb 0.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1trv h GLU 13 CO -0.00 0.02 -0.06 0.00 -1.00 0.00 0.00 179.01 177.96 1trv h ALA 14 N 1.98 0.30 0.00 3.43 0.00 0.10 -2.31 119.26 122.76 1trv h ALA 14 Ca -0.00 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1trv h ALA 14 Cb 0.03 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1trv h ALA 14 CO 0.00 0.10 -0.09 -0.07 0.00 0.00 0.00 179.25 179.19 1trv h LEU 15 N 0.15 0.00 -0.15 0.00 3.38 -0.83 -2.15 115.31 115.70 1trv h LEU 15 Ca 0.05 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 1trv h LEU 15 Cb 0.52 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1trv h LEU 15 CO 0.02 0.09 -0.31 -0.78 0.09 0.00 0.00 178.44 177.56 1trv h ASP 16 N 0.00 0.53 1.00 -0.43 3.58 -0.84 -3.05 116.42 117.22 1trv h ASP 16 Ca -0.00 -0.56 -0.04 0.00 0.42 0.00 0.00 57.03 56.85 1trv h ASP 16 Cb 0.35 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 1trv h ASP 16 CO 0.01 0.99 -0.18 0.00 -2.88 0.00 0.00 179.24 177.18 1trv h ALA 17 N 0.56 1.01 -0.57 -0.78 0.00 -1.04 -2.98 119.26 115.46 1trv h ALA 17 Ca 0.00 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 1trv h ALA 17 Cb 0.90 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1trv h ALA 17 CO 0.07 0.22 0.05 0.00 0.00 0.00 0.00 179.25 179.59 1trv h ALA 18 N 1.82 1.01 0.00 0.00 0.00 -1.29 -3.47 119.26 117.33 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 0.73 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1trv h ALA 18 CO 0.02 0.62 0.00 0.41 0.00 0.00 0.00 179.25 180.30 1trv n GLY 19 N -0.61 2.05 0.00 0.00 0.00 -1.13 -3.15 105.19 102.35 1trv n GLY 19 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.92 1trv n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1trv n ASP 20 N 6.08 0.00 -4.81 1.61 5.75 -1.26 -4.51 116.55 119.41 1trv n ASP 20 Ca 0.00 -1.00 -0.29 0.00 -0.01 0.00 0.00 54.79 53.49 1trv n ASP 20 Cb 0.00 0.00 0.11 0.00 -1.03 0.00 0.00 41.12 40.20 1trv n ASP 20 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1trv s LYS 21 N 0.00 1.71 0.83 0.11 1.02 -1.19 -4.62 119.74 117.60 1trv s LYS 21 Ca 0.00 0.45 -0.12 0.00 0.02 0.00 0.00 55.97 56.32 1trv s LYS 21 Cb 0.00 -1.89 0.10 0.00 -0.52 0.00 0.00 37.83 35.52 1trv s LYS 21 CO 0.00 -1.84 1.15 -1.17 -0.92 0.00 0.00 175.35 172.57 1trv s LEU 22 N -5.86 3.02 -0.30 3.17 0.20 -1.26 -4.46 118.68 113.19 1trv s LEU 22 Ca 0.62 2.15 0.01 0.00 0.69 0.00 0.00 54.13 57.60 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 0.53 -2.64 0.34 -0.69 -0.29 0.00 0.00 176.35 173.61 1trv s VAL 23 N -2.52 -0.48 0.52 1.68 1.01 -0.73 -2.95 120.40 116.93 1trv s VAL 23 Ca 0.68 -0.45 -0.02 0.00 0.00 0.00 0.00 61.98 62.19 1trv s VAL 23 Cb -0.23 -0.96 0.01 0.00 0.00 0.00 0.00 36.38 35.19 1trv s VAL 23 CO 0.54 -0.41 0.78 -0.69 0.00 0.00 0.00 175.10 175.32 1trv s VAL 24 N 2.37 3.69 -0.03 2.92 1.01 -0.48 -0.74 120.40 129.13 1trv s VAL 24 Ca 0.10 -0.32 -0.03 0.00 0.00 0.00 0.00 61.98 61.73 1trv s VAL 24 Cb -0.13 -3.41 0.01 0.00 0.00 0.00 0.00 36.38 32.85 1trv s VAL 24 CO -0.30 -0.34 0.09 -0.69 0.00 0.00 0.00 175.10 173.85 1trv s VAL 25 N -2.76 -0.01 -0.35 2.92 1.01 -0.88 -1.98 120.40 118.36 1trv s VAL 25 Ca 0.52 0.04 -0.07 0.00 0.00 0.00 0.00 61.98 62.46 1trv s VAL 25 Cb -0.10 -0.13 0.05 0.00 0.00 0.00 0.00 36.38 36.19 1trv s VAL 25 CO 0.41 0.02 0.13 -0.62 0.00 0.00 0.00 175.10 175.04 1trv s ASP 26 N 0.26 5.39 -0.61 3.32 2.15 -0.94 -2.83 116.67 123.40 1trv s ASP 26 Ca -0.02 -1.20 -0.16 0.00 0.43 0.00 0.00 52.55 51.60 1trv s ASP 26 Cb -0.03 -1.89 0.15 0.00 -0.30 0.00 0.00 42.92 40.84 1trv s ASP 26 CO -0.01 -0.36 0.59 -0.36 -0.17 0.00 0.00 175.17 174.86 1trv s PHE 27 N 1.41 3.34 0.00 -5.34 0.40 -0.42 -1.21 117.98 116.17 1trv s PHE 27 Ca -0.01 -1.42 0.00 0.00 -0.60 0.00 0.00 56.93 54.91 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 0.03 -1.05 0.00 0.43 0.70 0.00 0.00 175.22 175.33 1trv n SER 28 N 5.08 1.73 -3.70 1.36 7.64 -1.15 -1.97 113.62 122.61 1trv n SER 28 Ca -0.07 -0.92 -0.25 0.00 1.01 0.00 0.00 58.87 58.64 1trv n SER 28 Cb 0.42 0.00 -0.17 0.00 -1.01 0.00 0.00 64.21 63.45 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 -0.02 -0.43 0.00 -1.09 -3.03 121.76 115.87 1trv s ALA 29 Ca 0.00 -0.35 -0.25 0.00 0.00 0.00 0.00 51.96 51.36 1trv s ALA 29 Cb 0.00 -0.98 -0.18 0.00 0.00 0.00 0.00 23.12 21.96 1trv s ALA 29 CO 0.00 -0.94 1.18 0.00 0.00 0.00 0.00 175.76 176.00 1trv h THR 30 N 6.44 1.06 -0.31 0.00 1.03 -1.97 -2.74 112.91 116.42 1trv h THR 30 Ca -0.16 -0.96 0.09 0.00 -0.01 0.00 0.00 66.41 65.38 1trv h THR 30 Cb 1.13 1.64 -0.01 0.00 -1.07 0.00 0.00 68.15 69.84 1trv h THR 30 CO 0.28 0.22 0.59 4.11 -0.01 0.00 0.00 175.52 180.71 1trv h TRP 31 N -0.63 0.00 -3.59 0.00 5.08 -1.96 -3.40 115.95 111.45 1trv h TRP 31 Ca -0.02 0.00 -0.50 0.00 1.08 0.00 0.00 58.89 59.45 1trv h TRP 31 Cb 0.49 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.65 1trv h TRP 31 CO 0.07 0.00 0.06 0.00 -1.28 0.00 0.00 178.44 177.29 1trv n GLY 33 N -1.16 -0.64 0.19 0.00 0.00 -1.26 -4.27 105.19 98.05 1trv n GLY 33 Ca 0.02 -0.05 -0.03 0.00 0.00 0.00 0.00 46.02 45.96 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 -0.26 0.21 -1.61 1.61 0.11 -1.96 -0.37 132.00 129.73 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 0.14 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.20 1trv h PRO 34 CO 0.00 0.14 0.00 0.00 -0.21 0.00 0.00 178.00 177.93 1trv n LYS 36 N 1.09 0.00 0.00 0.00 4.81 -0.17 -2.69 118.16 121.20 1trv n LYS 36 Ca 0.00 0.00 0.09 0.00 -0.87 0.00 0.00 58.31 57.53 1trv n LYS 36 Cb 0.35 -0.49 0.53 0.00 0.02 0.00 0.00 35.03 35.44 1trv n LYS 36 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1trv n MET 37 N -0.86 0.54 -0.32 1.64 2.81 -1.08 -2.07 117.12 117.78 1trv n MET 37 Ca 0.00 0.01 0.11 0.00 -1.81 0.00 0.00 57.70 56.01 1trv n MET 37 Cb 0.00 -1.50 0.29 0.00 -0.71 0.00 0.00 33.22 31.30 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 -1.02 0.85 0.09 2.02 5.41 -1.26 -4.31 119.36 121.14 1trv n ILE 38 Ca 0.13 -0.89 -0.03 0.00 1.00 0.00 0.00 62.75 62.96 1trv n ILE 38 Cb 0.07 0.54 -0.05 0.00 -0.71 0.00 0.00 39.64 39.49 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 -1.77 -3.12 116.57 118.25 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 0.81 0.00 -0.35 -2.00 0.00 0.00 179.45 177.91 1trv n PRO 40 N -3.33 0.03 -0.06 0.07 -0.05 -1.26 -1.70 135.00 128.69 1trv n PRO 40 Ca 0.01 0.26 -0.04 0.00 -0.05 0.00 0.00 63.50 63.69 1trv n PRO 40 Cb 0.85 -1.55 -0.01 0.00 -0.05 0.00 0.00 33.50 32.74 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 0.08 0.54 -1.00 -1.84 -3.25 116.94 111.47 1trv h PHE 41 Ca 0.00 0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.79 1trv h PHE 41 Cb 0.27 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.82 1trv h PHE 41 CO 0.00 0.00 -0.10 0.35 -1.61 0.00 0.00 178.31 176.95 1trv h PHE 42 N -0.98 -0.27 0.00 -0.55 3.57 -1.55 0.21 116.94 117.37 1trv h PHE 42 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 1trv h PHE 42 Cb 0.40 0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.25 1trv h PHE 42 CO -0.17 -0.16 0.01 1.58 -2.23 0.00 0.00 178.31 177.34 1trv n HIS 43 N -5.22 0.48 -0.11 0.41 -0.00 -0.69 -1.13 115.22 108.96 1trv n HIS 43 Ca -0.07 0.25 -0.14 0.00 0.46 0.00 0.00 57.72 58.22 1trv n HIS 43 Cb 0.15 -0.89 -0.03 0.00 -0.12 0.00 0.00 29.99 29.10 1trv n HIS 43 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1trv h SER 44 N 0.00 1.00 -0.27 0.26 4.64 -0.98 -2.76 113.55 115.44 1trv h SER 44 Ca 0.00 -0.48 0.08 0.00 -0.47 0.00 0.00 61.79 60.91 1trv h SER 44 Cb 0.02 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.82 1trv h SER 44 CO 0.00 1.29 0.25 -0.07 -0.87 0.00 0.00 176.83 177.42 1trv h LEU 45 N 0.74 0.00 -0.63 5.97 3.38 -1.12 -1.93 115.31 121.72 1trv h LEU 45 Ca 0.05 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.14 1trv h LEU 45 Cb 1.03 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.69 1trv h LEU 45 CO 0.10 0.00 0.16 0.28 0.09 0.00 0.00 178.44 179.07 1trv h SER 46 N 0.00 0.06 0.89 -0.43 0.02 -1.59 0.37 113.55 112.86 1trv h SER 46 Ca 0.13 0.11 -0.03 0.00 -0.84 0.00 0.00 61.79 61.16 1trv h SER 46 Cb 0.62 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.29 1trv h SER 46 CO -0.00 0.03 -1.14 -0.62 -1.14 0.00 0.00 176.83 173.96 1trv n GLU 47 N -5.10 0.61 0.05 3.45 1.02 -0.76 -3.82 120.64 116.09 1trv n GLU 47 Ca 0.10 0.12 -0.05 0.00 -0.02 0.00 0.00 57.16 57.31 1trv n GLU 47 Cb 0.34 -1.81 -0.10 0.00 -0.02 0.00 0.00 31.44 29.86 1trv n GLU 47 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1trv h LYS 48 N 0.00 0.00 -2.32 3.49 1.63 -0.98 -3.39 116.57 115.01 1trv h LYS 48 Ca -0.03 0.00 -0.59 0.00 -0.85 0.00 0.00 60.65 59.18 1trv h LYS 48 Cb 1.11 0.00 -0.40 0.00 -0.60 0.00 0.00 32.23 32.33 1trv h LYS 48 CO 0.01 0.75 -0.81 0.66 -3.45 0.00 0.00 179.45 176.61 1trv n TYR 49 N -3.23 1.61 0.86 1.91 4.01 0.12 -4.90 117.16 117.54 1trv n TYR 49 Ca -0.04 -3.87 0.05 0.00 -0.16 0.00 0.00 57.90 53.89 1trv n TYR 49 Cb 0.92 -0.38 0.32 0.00 -0.31 0.00 0.00 39.34 39.89 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 1.53 0.00 -1.34 7.72 3.41 -1.25 -1.73 113.62 121.96 1trv n SER 50 Ca 0.25 -0.52 0.11 0.00 -0.26 0.00 0.00 58.87 58.45 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 -0.89 3.91 -4.19 4.04 5.15 -1.26 -4.91 115.26 117.10 1trv n ASN 51 Ca 0.08 -2.06 -0.18 0.00 -0.60 0.00 0.00 54.58 51.82 1trv n ASN 51 Cb 0.04 -0.49 -0.12 0.00 -0.53 0.00 0.00 39.78 38.68 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 1.17 -0.31 3.44 1.01 -0.70 -4.72 120.40 119.13 1trv s VAL 52 Ca 0.48 -1.44 -0.12 0.00 0.00 0.00 0.00 61.98 60.90 1trv s VAL 52 Cb 0.26 -1.22 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 1trv s VAL 52 CO 0.31 -0.29 0.21 -0.63 0.00 0.00 0.00 175.10 174.70 1trv s ILE 53 N -1.57 5.19 -0.17 2.22 -1.09 -1.15 -5.01 121.20 119.63 1trv s ILE 53 Ca 0.01 -0.08 -0.04 0.00 -2.23 0.00 0.00 60.65 58.31 1trv s ILE 53 Cb -0.08 -3.58 -0.03 0.00 -1.58 0.00 0.00 42.46 37.19 1trv s ILE 53 CO 0.02 0.11 -0.02 -0.36 -1.23 0.00 0.00 174.94 173.46 1trv s PHE 54 N 1.72 3.04 0.41 3.97 0.08 -1.26 -1.38 117.98 124.57 1trv s PHE 54 Ca 0.06 -0.32 0.08 0.00 0.12 0.00 0.00 56.93 56.87 1trv s PHE 54 Cb -0.17 -1.99 -0.03 0.00 -0.57 0.00 0.00 43.02 40.27 1trv s PHE 54 CO 0.10 -0.07 0.35 -0.51 -0.10 0.00 0.00 175.22 174.99 1trv s LEU 55 N 0.50 3.36 -0.23 -0.37 1.02 -0.84 -3.10 118.68 119.03 1trv s LEU 55 Ca -0.03 -0.79 -0.04 0.00 0.02 0.00 0.00 54.13 53.30 1trv s LEU 55 Cb -0.14 -1.97 0.09 0.00 0.02 0.00 0.00 46.19 44.19 1trv s LEU 55 CO 0.03 -0.63 0.17 -0.70 0.02 0.00 0.00 176.35 175.24 1trv s GLU 56 N -4.10 0.17 -0.03 1.70 2.12 -0.39 -2.22 118.70 115.95 1trv s GLU 56 Ca 0.47 -0.10 -0.01 0.00 0.36 0.00 0.00 54.97 55.70 1trv s GLU 56 Cb -0.02 -1.29 -0.04 0.00 0.26 0.00 0.00 34.13 33.04 1trv s GLU 56 CO 0.27 -0.80 0.04 0.08 -0.54 0.00 0.00 175.26 174.31 1trv s VAL 57 N 2.23 4.49 -0.20 3.70 1.01 -0.35 -1.43 120.40 129.85 1trv s VAL 57 Ca 0.06 -0.40 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 1trv s VAL 57 Cb -0.16 -2.99 -0.01 0.00 0.00 0.00 0.00 36.38 33.22 1trv s VAL 57 CO -0.20 0.44 -0.05 -0.62 0.00 0.00 0.00 175.10 174.66 1trv s ASP 58 N -1.43 4.37 0.00 3.32 2.15 -1.26 -2.91 116.67 120.90 1trv s ASP 58 Ca 0.19 -0.33 0.08 0.00 0.43 0.00 0.00 52.55 52.91 1trv s ASP 58 Cb -0.12 -1.73 0.40 0.00 -0.30 0.00 0.00 42.92 41.17 1trv s ASP 58 CO 0.09 0.04 1.06 1.33 -0.17 0.00 0.00 175.17 177.51 1trv n VAL 59 N 4.41 0.64 -0.11 1.11 0.24 -1.17 0.12 118.33 123.58 1trv n VAL 59 Ca -0.18 0.16 -0.19 0.00 -2.04 0.00 0.00 64.34 62.10 1trv n VAL 59 Cb 0.51 -1.04 -0.09 0.00 -1.47 0.00 0.00 33.84 31.75 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 -1.21 2.06 0.02 -1.34 9.92 -1.26 -3.60 116.55 121.14 1trv n ASP 60 Ca 0.04 0.04 -0.07 0.00 -0.53 0.00 0.00 54.79 54.27 1trv n ASP 60 Cb 0.05 -0.46 -0.12 0.00 -0.64 0.00 0.00 41.12 39.95 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 -0.31 0.00 -0.71 -2.24 1.82 -1.87 -3.36 116.42 109.75 1trv h ASP 61 Ca -0.52 0.00 -0.52 0.00 -0.39 0.00 0.00 57.03 55.60 1trv h ASP 61 Cb 1.65 0.00 -0.41 0.00 0.68 0.00 0.00 39.33 41.25 1trv h ASP 61 CO -0.18 0.93 -0.81 0.00 -1.61 0.00 0.00 179.24 177.56 1trv n ALA 62 N -2.46 4.93 0.20 -0.78 0.00 0.12 -4.70 120.51 117.82 1trv n ALA 62 Ca -0.10 -3.76 0.10 0.00 0.00 0.00 0.00 53.44 49.68 1trv n ALA 62 Cb 0.98 -0.33 0.52 0.00 0.00 0.00 0.00 19.45 20.62 1trv n ALA 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 1trv h GLN 63 N 2.14 0.00 -0.28 0.00 3.07 -1.61 0.82 115.11 119.24 1trv h GLN 63 Ca 0.35 0.00 -0.17 0.00 0.09 0.00 0.00 58.65 58.92 1trv h GLN 63 Cb 1.51 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 29.07 1trv h GLN 63 CO 0.72 0.00 -0.50 0.38 0.09 0.00 0.00 178.83 179.52 1trv h ASP 64 N 0.00 0.86 0.85 0.06 2.03 -1.89 -2.56 116.42 115.76 1trv h ASP 64 Ca 0.00 -0.44 -0.23 0.00 -0.73 0.00 0.00 57.03 55.63 1trv h ASP 64 Cb 0.44 -0.24 -0.02 0.00 -0.83 0.00 0.00 39.33 38.68 1trv h ASP 64 CO 0.00 1.20 -1.07 0.58 -1.03 0.00 0.00 179.24 178.93 1trv h VAL 65 N 0.61 1.63 -0.67 4.15 2.07 -1.17 -3.23 116.25 119.64 1trv h VAL 65 Ca 0.03 -3.24 -0.02 0.00 0.82 0.00 0.00 66.70 64.29 1trv h VAL 65 Cb 1.08 2.85 -0.03 0.00 -1.52 0.00 0.00 31.29 33.66 1trv h VAL 65 CO 0.11 0.93 0.32 0.00 0.02 0.00 0.00 177.57 178.95 1trv h ALA 66 N 0.87 0.87 0.00 1.67 0.00 -1.42 -1.41 119.26 119.83 1trv h ALA 66 Ca -0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1trv h ALA 66 Cb 1.81 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 1trv h ALA 66 CO 0.15 0.43 -0.11 1.03 0.00 0.00 0.00 179.25 180.75 1trv h SER 67 N 0.93 0.00 0.58 0.00 0.87 -1.51 0.12 113.55 114.54 1trv h SER 67 Ca 0.23 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.76 1trv h SER 67 Cb 0.12 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.09 1trv h SER 67 CO -0.03 0.11 -0.28 -0.08 -0.53 0.00 0.00 176.83 176.02 1trv h GLU 68 N 0.00 -0.75 -0.02 2.24 4.57 -1.27 -2.51 114.58 116.85 1trv h GLU 68 Ca -0.00 0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.23 1trv h GLU 68 Cb 0.34 0.17 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1trv h GLU 68 CO 0.01 -0.45 0.00 0.00 -1.18 0.00 0.00 179.01 177.40 1trv n ALA 69 N -2.53 2.63 -3.57 2.92 0.00 -1.12 -4.92 120.51 113.92 1trv n ALA 69 Ca -0.12 -0.24 -0.27 0.00 0.00 0.00 0.00 53.44 52.82 1trv n ALA 69 Cb 0.34 -1.36 0.04 0.00 0.00 0.00 0.00 19.45 18.48 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 -0.65 -1.40 -2.81 0.00 -0.58 -0.02 -4.87 120.64 110.31 1trv n GLU 70 Ca 0.19 0.61 -0.43 0.00 -0.42 0.00 0.00 57.16 57.11 1trv n GLU 70 Cb 0.15 -4.42 -0.04 0.00 -0.57 0.00 0.00 31.44 26.56 1trv n GLU 70 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1trv s VAL 71 N -3.40 4.36 -0.18 2.62 1.01 -0.90 -4.85 120.40 119.07 1trv s VAL 71 Ca 0.42 0.41 0.17 0.00 0.00 0.00 0.00 61.98 62.98 1trv s VAL 71 Cb -0.13 -4.55 0.54 0.00 0.00 0.00 0.00 36.38 32.24 1trv s VAL 71 CO 0.84 -1.10 1.43 0.29 0.00 0.00 0.00 175.10 176.56 1trv n LYS 72 N 7.53 2.96 -3.20 2.72 5.02 -1.26 -4.87 118.16 127.05 1trv n LYS 72 Ca 0.03 -2.86 0.00 0.00 -2.02 0.00 0.00 58.31 53.46 1trv n LYS 72 Cb 0.48 -1.86 -0.03 0.00 -0.02 0.00 0.00 35.03 33.60 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 -2.84 -1.97 0.14 7.82 0.00 -1.26 -5.16 121.76 118.48 1trv s ALA 73 Ca 0.43 1.29 0.03 0.00 0.00 0.00 0.00 51.96 53.71 1trv s ALA 73 Cb 0.35 -2.17 -0.04 0.00 0.00 0.00 0.00 23.12 21.26 1trv s ALA 73 CO 0.09 -1.50 0.19 0.95 0.00 0.00 0.00 175.76 175.49 1trv s THR 74 N 2.76 4.88 0.72 0.00 -4.23 -1.26 -4.19 115.64 114.33 1trv s THR 74 Ca 0.15 -0.82 -0.11 0.00 -1.18 0.00 0.00 61.69 59.73 1trv s THR 74 Cb -0.13 -3.47 0.02 0.00 1.34 0.00 0.00 72.50 70.26 1trv s THR 74 CO -0.23 -0.04 1.08 -2.16 -0.54 0.00 0.00 174.62 172.73 1trv s PRO 75 N -2.98 2.73 -0.06 3.99 0.04 -1.26 -4.93 135.00 132.53 1trv s PRO 75 Ca 0.32 0.68 -0.10 0.00 0.04 0.00 0.00 61.00 61.95 1trv s PRO 75 Cb -0.11 -1.99 0.02 0.00 0.04 0.00 0.00 34.50 32.46 1trv s PRO 75 CO 0.25 -1.18 0.24 0.99 0.04 0.00 0.00 177.00 177.35 1trv s THR 76 N -3.19 0.03 -0.02 1.26 2.01 -0.83 -3.32 115.64 111.57 1trv s THR 76 Ca 0.59 -0.22 0.07 0.00 0.31 0.00 0.00 61.69 62.43 1trv s THR 76 Cb -0.13 -0.42 -0.02 0.00 0.01 0.00 0.00 72.50 71.95 1trv s THR 76 CO 0.54 -0.12 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.76 1trv s PHE 77 N -0.43 2.03 0.04 4.92 0.08 -0.87 -1.29 117.98 122.46 1trv s PHE 77 Ca -0.05 -0.41 0.07 0.00 0.12 0.00 0.00 56.93 56.65 1trv s PHE 77 Cb -0.04 -1.31 -0.02 0.00 -0.57 0.00 0.00 43.02 41.08 1trv s PHE 77 CO 0.01 -0.06 -0.19 -0.65 -0.10 0.00 0.00 175.22 174.24 1trv s GLN 78 N -0.47 1.28 -0.35 0.44 -0.21 -1.13 -1.93 119.66 117.28 1trv s GLN 78 Ca 0.07 -0.89 -0.07 0.00 0.02 0.00 0.00 55.36 54.49 1trv s GLN 78 Cb -0.09 -1.36 0.05 0.00 1.00 0.00 0.00 33.01 32.60 1trv s GLN 78 CO -0.00 0.35 0.13 -0.06 -2.12 0.00 0.00 175.29 173.58 1trv s PHE 79 N -0.80 3.28 0.15 0.91 0.40 0.11 -2.06 117.98 119.96 1trv s PHE 79 Ca 0.06 -1.46 0.05 0.00 -0.60 0.00 0.00 56.93 54.98 1trv s PHE 79 Cb -0.09 -2.40 -0.04 0.00 0.51 0.00 0.00 43.02 41.00 1trv s PHE 79 CO 0.02 -0.75 0.08 -0.06 0.70 0.00 0.00 175.22 175.21 1trv s PHE 80 N 1.40 3.06 -0.18 0.36 0.08 0.08 -1.91 117.98 120.87 1trv s PHE 80 Ca -0.01 -0.03 -0.08 0.00 0.12 0.00 0.00 56.93 56.93 1trv s PHE 80 Cb -0.20 -1.50 0.07 0.00 -0.57 0.00 0.00 43.02 40.82 1trv s PHE 80 CO 0.03 0.51 0.41 0.21 -0.10 0.00 0.00 175.22 176.28 1trv s LYS 81 N -2.88 0.37 -1.23 0.44 2.20 -0.51 -1.77 119.74 116.36 1trv s LYS 81 Ca 0.29 0.88 0.00 0.00 -0.36 0.00 0.00 55.97 56.78 1trv s LYS 81 Cb -0.10 0.10 0.00 0.00 -1.51 0.00 0.00 37.83 36.32 1trv s LYS 81 CO 0.21 -0.19 0.00 1.63 -0.36 0.00 0.00 175.35 176.64 1trv n LYS 82 N 4.68 -1.57 -1.70 4.03 5.02 -1.26 0.11 118.16 127.46 1trv n LYS 82 Ca -0.18 0.69 0.00 0.00 -2.02 0.00 0.00 58.31 56.80 1trv n LYS 82 Cb 0.53 -5.04 0.00 0.00 -0.02 0.00 0.00 35.03 30.50 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 -0.41 0.42 2.86 0.72 0.00 -1.26 -5.04 105.19 102.48 1trv n GLY 83 Ca -0.13 -0.90 -0.25 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 -3.44 1.18 0.06 1.61 -1.52 0.30 -5.11 119.66 112.75 1trv s GLN 84 Ca 0.00 -0.12 -0.31 0.00 -1.95 0.00 0.00 55.36 52.98 1trv s GLN 84 Cb 0.00 -1.34 -0.08 0.00 -0.22 0.00 0.00 33.01 31.37 1trv s GLN 84 CO 0.00 -0.27 1.57 0.21 -0.25 0.00 0.00 175.29 176.55 1trv s LYS 85 N 1.76 4.23 -0.01 2.91 2.20 -1.26 -1.42 119.74 128.14 1trv s LYS 85 Ca 0.04 2.22 0.02 0.00 -0.36 0.00 0.00 55.97 57.89 1trv s LYS 85 Cb -0.13 -3.56 -0.03 0.00 -1.51 0.00 0.00 37.83 32.60 1trv s LYS 85 CO -0.07 -0.67 0.03 1.33 -0.36 0.00 0.00 175.35 175.61 1trv n VAL 86 N 4.65 0.06 -3.43 4.02 0.24 -0.80 -4.96 118.33 118.11 1trv n VAL 86 Ca 0.15 -0.07 -0.12 0.00 -2.04 0.00 0.00 64.34 62.25 1trv n VAL 86 Cb 0.41 -0.13 -0.02 0.00 -1.47 0.00 0.00 33.84 32.63 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 -2.69 -0.61 -0.13 7.63 0.00 -1.19 -5.03 107.32 105.29 1trv s GLY 87 Ca -0.01 0.56 -0.32 0.00 0.00 0.00 0.00 44.72 44.95 1trv s GLY 87 CO 0.10 0.22 1.09 -1.83 0.00 0.00 0.00 173.10 172.67 1trv s GLU 88 N -3.56 0.50 -0.06 2.90 1.03 -1.26 0.07 118.70 118.31 1trv s GLU 88 Ca 0.00 -0.15 -0.31 0.00 0.03 0.00 0.00 54.97 54.55 1trv s GLU 88 Cb -0.01 0.23 0.11 0.00 -0.80 0.00 0.00 34.13 33.66 1trv s GLU 88 CO -0.11 -0.21 1.01 -0.59 -1.33 0.00 0.00 175.26 174.03 1trv s PHE 89 N -2.49 -0.25 0.07 4.83 -0.71 -0.81 -5.00 117.98 113.62 1trv s PHE 89 Ca 0.07 0.14 0.06 0.00 -1.04 0.00 0.00 56.93 56.15 1trv s PHE 89 Cb -0.01 0.54 -0.03 0.00 -1.21 0.00 0.00 43.02 42.31 1trv s PHE 89 CO -0.06 -0.44 -0.15 -1.54 -1.34 0.00 0.00 175.22 171.69 1trv s SER 90 N -2.42 1.81 0.00 1.98 1.04 -1.26 -2.05 113.70 112.80 1trv s SER 90 Ca 0.07 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.90 1trv s SER 90 Cb -0.01 -0.07 0.00 0.00 0.10 0.00 0.00 66.02 66.04 1trv s SER 90 CO -0.07 -0.03 0.00 0.61 0.98 0.00 0.00 173.24 174.73 1trv n GLY 91 N 1.37 4.14 1.29 7.32 0.00 -1.21 -4.94 105.19 113.16 1trv n GLY 91 Ca -0.20 -0.70 -0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.39 3.35 -3.16 4.61 0.00 -1.26 -4.58 120.51 118.08 1trv n ALA 92 Ca 0.00 -0.04 -0.42 0.00 0.00 0.00 0.00 53.44 52.98 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 1.02 5.90 0.26 0.00 4.05 -1.26 -4.82 115.26 120.41 1trv n ASN 93 Ca 0.01 -3.29 0.15 0.00 0.45 0.00 0.00 54.58 51.90 1trv n ASN 93 Cb 0.51 -1.26 0.86 0.00 1.23 0.00 0.00 39.78 41.12 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 5.75 0.00 -0.18 1.20 -0.00 -1.98 -0.56 116.57 120.79 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 0.70 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.92 1trv h LYS 94 CO 1.19 0.00 -0.33 0.93 -0.00 0.00 0.00 179.45 181.24 1trv h GLU 95 N 0.00 0.37 0.00 0.07 5.08 -1.98 -2.46 114.58 115.66 1trv h GLU 95 Ca 0.03 -0.15 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1trv h GLU 95 Cb 0.17 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1trv h GLU 95 CO -0.00 0.66 -0.08 -0.22 -1.00 0.00 0.00 179.01 178.37 1trv h LYS 96 N 0.32 0.00 -0.92 2.33 3.64 -1.50 -1.96 116.57 118.48 1trv h LYS 96 Ca 0.04 0.00 0.25 0.00 -1.27 0.00 0.00 60.65 59.67 1trv h LYS 96 Cb 0.74 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.51 1trv h LYS 96 CO 0.06 0.08 0.64 -0.07 -2.27 0.00 0.00 179.45 177.88 1trv h LEU 97 N 0.00 0.17 0.47 5.20 3.38 -1.49 0.60 115.31 123.63 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 0.18 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1trv h LEU 97 CO 0.01 0.06 -0.22 -0.08 0.09 0.00 0.00 178.44 178.29 1trv h GLU 98 N 0.16 -0.60 -0.30 1.13 4.81 -1.53 0.21 114.58 118.46 1trv h GLU 98 Ca 0.46 0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.81 1trv h GLU 98 Cb 1.54 0.14 -0.01 0.00 0.63 0.00 0.00 28.75 31.05 1trv h GLU 98 CO -0.09 -0.40 0.22 0.00 -0.73 0.00 0.00 179.01 178.01 1trv h ALA 99 N -1.64 2.22 -0.10 2.92 0.00 -1.55 -1.88 119.26 119.23 1trv h ALA 99 Ca -0.06 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 1trv h ALA 99 Cb 0.48 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1trv h ALA 99 CO 0.11 -0.30 -0.21 1.15 0.00 0.00 0.00 179.25 179.99 1trv h THR 100 N 0.05 1.39 -0.55 0.00 2.02 -0.72 -2.94 112.91 112.17 1trv h THR 100 Ca 0.14 -1.51 0.02 0.00 0.77 0.00 0.00 66.41 65.84 1trv h THR 100 Cb 0.50 2.13 -0.03 0.00 -1.74 0.00 0.00 68.15 69.01 1trv h THR 100 CO -0.01 0.43 0.36 0.40 0.37 0.00 0.00 175.52 177.08 1trv h ILE 101 N -0.13 1.09 0.00 3.11 2.04 0.19 0.44 117.51 124.25 1trv h ILE 101 Ca 0.00 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.63 1trv h ILE 101 Cb 0.81 0.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1trv h ILE 101 CO 0.05 0.12 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 5.15 -0.84 -1.93 115.26 114.85 1trv n ASN 102 Ca 0.06 -0.67 -0.09 0.00 -0.60 0.00 0.00 54.58 53.28 1trv n ASN 102 Cb 0.11 -0.05 -0.08 0.00 -0.53 0.00 0.00 39.78 39.23 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 -0.43 1.20 4.81 0.06 -3.35 114.58 116.83 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 0.52 0.00 1.28 -0.73 0.00 0.00 179.01 180.08 1trv n LEU 104 N -4.73 4.66 0.00 1.64 4.77 -1.22 -5.13 117.00 117.00 1trv n LEU 104 Ca -0.06 -2.87 0.02 0.00 -0.03 0.00 0.00 56.01 53.06 1trv n LEU 104 Cb 0.28 -0.59 0.09 0.00 -2.33 0.00 0.00 43.42 40.87 1trv n LEU 104 CO 0.21 0.68 0.33 0.55 -1.33 0.00 0.00 177.39 177.83