#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 0.12 -0.16 2.03 1.01 -1.26 -4.22 120.40 117.91 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 -2.48 0.08 0.00 0.00 0.00 0.00 36.38 33.98 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 -3.61 0.25 -0.05 2.72 2.20 -1.19 -5.01 119.74 115.04 1trv s LYS 3 Ca 0.37 0.87 -0.30 0.00 -0.36 0.00 0.00 55.97 56.56 1trv s LYS 3 Cb 0.03 0.13 -0.02 0.00 -1.51 0.00 0.00 37.83 36.46 1trv s LYS 3 CO 0.23 -0.26 1.00 -1.14 -0.36 0.00 0.00 175.35 174.82 1trv s GLN 4 N 2.38 4.49 -0.23 4.03 0.74 -1.26 -1.39 119.66 128.43 1trv s GLN 4 Ca -0.01 1.41 -0.18 0.00 0.05 0.00 0.00 55.36 56.63 1trv s GLN 4 Cb -0.12 -3.50 -0.03 0.00 1.10 0.00 0.00 33.01 30.46 1trv s GLN 4 CO -0.11 -0.18 0.50 0.42 -0.55 0.00 0.00 175.29 175.37 1trv s ILE 5 N 1.50 5.10 -0.12 -2.34 -1.09 -0.46 -4.93 121.20 118.87 1trv s ILE 5 Ca 0.50 0.88 0.17 0.00 -2.23 0.00 0.00 60.65 59.97 1trv s ILE 5 Cb -0.20 -3.82 -0.19 0.00 -1.58 0.00 0.00 42.46 36.68 1trv s ILE 5 CO 0.23 0.15 0.65 -0.62 -1.23 0.00 0.00 174.94 174.12 1trv n GLU 6 N 5.08 0.64 -0.39 2.79 1.02 -1.26 -4.44 120.64 124.07 1trv n GLU 6 Ca -0.05 0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 1trv n GLU 6 Cb 0.50 -1.74 0.00 0.00 -0.02 0.00 0.00 31.44 30.19 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 -2.84 0.00 0.15 1.62 3.41 -1.26 -4.25 113.62 110.45 1trv n SER 7 Ca -0.14 -0.37 0.05 0.00 -0.26 0.00 0.00 58.87 58.14 1trv n SER 7 Cb 0.90 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 -0.12 4.33 3.64 -1.94 -3.18 116.57 119.30 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 0.37 0.04 1.15 -2.27 0.00 0.00 179.45 178.74 1trv h THR 9 N 0.00 0.98 -0.12 1.00 2.02 -2.00 -1.59 112.91 113.19 1trv h THR 9 Ca -0.02 -0.04 -0.11 0.00 0.77 0.00 0.00 66.41 67.02 1trv h THR 9 Cb 1.31 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 68.57 1trv h THR 9 CO 0.05 0.02 -0.40 0.00 0.37 0.00 0.00 175.52 175.55 1trv h ALA 10 N 1.07 1.10 0.03 6.16 0.00 -1.98 -2.43 119.26 123.21 1trv h ALA 10 Ca 0.05 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1trv h ALA 10 Cb 0.02 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1trv h ALA 10 CO -0.05 0.59 -0.04 0.35 0.00 0.00 0.00 179.25 180.10 1trv h PHE 11 N 0.22 -0.11 -0.03 0.00 3.57 -1.37 0.41 116.94 119.63 1trv h PHE 11 Ca 0.02 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.52 1trv h PHE 11 Cb 0.81 0.04 -0.00 0.00 2.79 0.00 0.00 35.95 39.59 1trv h PHE 11 CO 0.02 -0.07 0.01 0.37 -2.23 0.00 0.00 178.31 176.41 1trv h GLN 12 N -0.09 0.05 -0.01 1.11 5.75 -1.24 -2.12 115.11 118.56 1trv h GLN 12 Ca 0.01 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1trv h GLN 12 Cb 0.09 -0.01 -0.00 0.00 1.07 0.00 0.00 27.48 28.64 1trv h GLN 12 CO -0.02 0.23 -0.00 0.93 -2.65 0.00 0.00 178.83 177.32 1trv h GLU 13 N -0.14 0.02 -0.10 1.69 4.39 -1.27 -1.11 114.58 118.07 1trv h GLU 13 Ca 0.01 -0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.69 1trv h GLU 13 Cb 0.20 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.84 1trv h GLU 13 CO -0.00 0.02 -0.02 0.00 -1.16 0.00 0.00 179.01 177.85 1trv h ALA 14 N 1.98 0.14 0.00 3.43 0.00 0.32 -1.29 119.26 123.84 1trv h ALA 14 Ca 0.00 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 1trv h ALA 14 Cb 0.02 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1trv h ALA 14 CO 0.00 -0.13 -0.15 -0.07 0.00 0.00 0.00 179.25 178.90 1trv h LEU 15 N -0.13 0.00 -0.06 0.00 3.38 -0.78 -1.19 115.31 116.53 1trv h LEU 15 Ca 0.03 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 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 0.15 -0.14 -0.78 0.09 0.00 0.00 178.44 177.76 1trv h ASP 16 N 0.00 0.23 1.15 -0.43 1.82 -0.81 -3.08 116.42 115.31 1trv h ASP 16 Ca -0.00 -0.58 0.00 0.00 -0.39 0.00 0.00 57.03 56.06 1trv h ASP 16 Cb 0.38 -0.07 0.00 0.00 0.68 0.00 0.00 39.33 40.32 1trv h ASP 16 CO 0.02 0.77 0.00 0.00 -1.61 0.00 0.00 179.24 178.42 1trv h ALA 17 N 0.47 1.00 -0.14 -0.78 0.00 -0.94 -2.89 119.26 115.97 1trv h ALA 17 Ca -0.00 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1trv h ALA 17 Cb 0.74 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1trv h ALA 17 CO 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 179.25 179.10 1trv h ALA 18 N 2.05 1.44 0.00 0.00 0.00 -1.13 -3.47 119.26 118.14 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 0.58 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1trv h ALA 18 CO 0.00 0.40 0.00 0.41 0.00 0.00 0.00 179.25 180.06 1trv n GLY 19 N -0.75 1.62 0.00 0.00 0.00 -1.10 -3.62 105.19 101.35 1trv n GLY 19 Ca -0.01 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 6.28 0.00 -4.66 1.61 8.00 -1.26 -4.61 116.55 121.91 1trv n ASP 20 Ca 0.00 -1.00 -0.29 0.00 0.71 0.00 0.00 54.79 54.21 1trv n ASP 20 Cb 0.00 0.00 0.14 0.00 -0.02 0.00 0.00 41.12 41.24 1trv n ASP 20 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1trv s LYS 21 N 0.00 1.01 0.75 -1.24 1.02 -1.24 -4.39 119.74 115.66 1trv s LYS 21 Ca 0.00 0.18 -0.14 0.00 0.02 0.00 0.00 55.97 56.03 1trv s LYS 21 Cb 0.00 -1.83 0.05 0.00 -0.52 0.00 0.00 37.83 35.53 1trv s LYS 21 CO 0.00 -2.26 1.18 -1.17 -0.92 0.00 0.00 175.35 172.18 1trv s LEU 22 N -6.03 3.23 -0.28 3.17 0.20 -1.26 -4.36 118.68 113.35 1trv s LEU 22 Ca 0.65 2.26 -0.00 0.00 0.69 0.00 0.00 54.13 57.73 1trv s LEU 22 Cb -0.13 -4.58 0.14 0.00 -0.43 0.00 0.00 46.19 41.19 1trv s LEU 22 CO 0.53 -2.31 0.32 -0.69 -0.29 0.00 0.00 176.35 173.91 1trv s VAL 23 N -2.18 -0.47 0.56 1.68 1.01 -0.31 -3.08 120.40 117.61 1trv s VAL 23 Ca 0.72 -0.38 -0.02 0.00 0.00 0.00 0.00 61.98 62.30 1trv s VAL 23 Cb -0.27 -0.95 0.03 0.00 0.00 0.00 0.00 36.38 35.19 1trv s VAL 23 CO 0.47 -0.38 0.81 -0.69 0.00 0.00 0.00 175.10 175.32 1trv s VAL 24 N 2.42 3.07 0.01 2.92 1.01 -0.55 -0.44 120.40 128.83 1trv s VAL 24 Ca 0.10 -0.45 -0.03 0.00 0.00 0.00 0.00 61.98 61.60 1trv s VAL 24 Cb -0.14 -3.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 1trv s VAL 24 CO -0.29 -0.15 0.04 -0.69 0.00 0.00 0.00 175.10 174.00 1trv s VAL 25 N -2.84 0.09 -0.27 2.92 1.01 -0.67 -2.48 120.40 118.16 1trv s VAL 25 Ca 0.55 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.82 1trv s VAL 25 Cb -0.10 -0.30 0.06 0.00 0.00 0.00 0.00 36.38 36.04 1trv s VAL 25 CO 0.40 -0.40 -0.08 -0.62 0.00 0.00 0.00 175.10 174.40 1trv s ASP 26 N -1.27 4.53 -0.53 3.32 2.15 -1.02 -2.90 116.67 120.96 1trv s ASP 26 Ca -0.14 -1.47 -0.16 0.00 0.43 0.00 0.00 52.55 51.21 1trv s ASP 26 Cb -0.08 -1.58 0.12 0.00 -0.30 0.00 0.00 42.92 41.08 1trv s ASP 26 CO 0.00 -0.22 0.48 -0.36 -0.17 0.00 0.00 175.17 174.90 1trv s PHE 27 N 1.10 3.24 0.00 -5.34 0.40 0.11 -1.22 117.98 116.27 1trv s PHE 27 Ca -0.06 -1.20 0.00 0.00 -0.60 0.00 0.00 56.93 55.06 1trv s PHE 27 Cb -0.20 -3.66 0.00 0.00 0.51 0.00 0.00 43.02 39.67 1trv s PHE 27 CO -0.05 -0.97 0.00 0.43 0.70 0.00 0.00 175.22 175.33 1trv n SER 28 N 5.26 1.99 -3.70 1.36 7.64 -1.16 -1.47 113.62 123.53 1trv n SER 28 Ca -0.14 -0.71 -0.24 0.00 1.01 0.00 0.00 58.87 58.80 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 0.59 0.00 -0.43 0.00 -1.26 -3.07 121.76 115.59 1trv s ALA 29 Ca 0.00 -0.20 -0.25 0.00 0.00 0.00 0.00 51.96 51.51 1trv s ALA 29 Cb 0.00 -0.86 -0.18 0.00 0.00 0.00 0.00 23.12 22.08 1trv s ALA 29 CO 0.00 -0.76 1.29 0.00 0.00 0.00 0.00 175.76 176.29 1trv h THR 30 N 6.41 1.00 -0.22 0.00 1.03 -1.95 -2.47 112.91 116.71 1trv h THR 30 Ca -0.16 -0.75 0.06 0.00 -0.01 0.00 0.00 66.41 65.55 1trv h THR 30 Cb 1.13 1.46 -0.01 0.00 -1.07 0.00 0.00 68.15 69.65 1trv h THR 30 CO 0.26 0.17 0.53 4.11 -0.01 0.00 0.00 175.52 180.58 1trv h TRP 31 N -0.56 0.00 -3.56 0.00 5.08 -2.01 -3.40 115.95 111.50 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 0.43 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.59 1trv h TRP 31 CO 0.04 0.00 0.03 0.00 -1.28 0.00 0.00 178.44 177.23 1trv n GLY 33 N -0.96 -0.66 0.17 0.00 0.00 -1.26 -3.80 105.19 98.67 1trv n GLY 33 Ca 0.01 -0.06 -0.05 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.34 0.01 0.00 1.61 0.11 -1.96 0.47 132.00 131.90 1trv h PRO 34 Ca 0.00 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 1trv h PRO 34 Cb 0.19 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.30 1trv h PRO 34 CO 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 177.79 1trv n LYS 36 N -2.63 0.67 0.00 0.00 4.81 0.13 -3.95 118.16 117.19 1trv n LYS 36 Ca -0.02 0.18 0.09 0.00 -0.87 0.00 0.00 58.31 57.69 1trv n LYS 36 Cb 0.09 -1.66 0.50 0.00 0.02 0.00 0.00 35.03 33.98 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 -3.04 0.46 -0.27 1.64 2.81 0.97 -1.93 117.12 117.76 1trv n MET 37 Ca -0.28 0.04 0.12 0.00 -1.81 0.00 0.00 57.70 55.77 1trv n MET 37 Cb 1.08 -1.50 0.27 0.00 -0.71 0.00 0.00 33.22 32.35 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 -1.09 0.71 0.08 2.02 5.41 -1.14 -4.32 119.36 121.04 1trv n ILE 38 Ca 0.12 -0.85 -0.04 0.00 1.00 0.00 0.00 62.75 62.98 1trv n ILE 38 Cb 0.08 0.77 -0.08 0.00 -0.71 0.00 0.00 39.64 39.71 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 4.40 0.00 0.00 0.38 2.10 -1.61 -3.15 116.57 118.69 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 0.99 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.32 1trv h LYS 39 CO 0.00 0.83 0.00 -0.35 -2.00 0.00 0.00 179.45 177.93 1trv n PRO 40 N -3.30 0.13 -0.06 0.07 -0.05 -1.26 -0.64 135.00 129.88 1trv n PRO 40 Ca 0.00 0.42 -0.04 0.00 -0.05 0.00 0.00 63.50 63.84 1trv n PRO 40 Cb 0.88 -1.78 -0.02 0.00 -0.05 0.00 0.00 33.50 32.53 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 -0.16 0.54 -1.00 -1.84 -3.09 116.94 111.39 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 0.26 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.81 1trv h PHE 41 CO 0.00 0.09 0.08 0.35 -1.61 0.00 0.00 178.31 177.23 1trv h PHE 42 N -1.00 0.23 0.00 -0.55 3.57 -1.54 -2.63 116.94 115.01 1trv h PHE 42 Ca -0.01 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 1trv h PHE 42 Cb 0.35 -0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.02 1trv h PHE 42 CO -0.10 0.24 -0.10 1.25 -2.23 0.00 0.00 178.31 177.37 1trv h HIS 43 N 0.14 0.00 -0.07 0.41 2.76 -1.08 -1.84 115.15 115.47 1trv h HIS 43 Ca 0.06 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.14 1trv h HIS 43 Cb 0.10 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.05 1trv h HIS 43 CO -0.03 0.10 -0.36 0.66 -1.30 0.00 0.00 177.93 177.00 1trv h SER 44 N 0.00 0.14 -0.61 3.26 4.64 -1.38 -2.59 113.55 117.01 1trv h SER 44 Ca -0.00 -0.05 0.06 0.00 -0.47 0.00 0.00 61.79 61.33 1trv h SER 44 Cb 0.19 -0.04 -0.04 0.00 -0.31 0.00 0.00 62.40 62.20 1trv h SER 44 CO 0.01 0.50 0.40 -0.07 -0.87 0.00 0.00 176.83 176.80 1trv h LEU 45 N 0.12 0.54 -1.48 5.97 3.38 -1.23 -1.39 115.31 121.22 1trv h LEU 45 Ca 0.01 0.00 0.27 0.00 0.09 0.00 0.00 57.88 58.25 1trv h LEU 45 Cb 0.70 -0.12 -0.08 0.00 0.09 0.00 0.00 40.66 41.25 1trv h LEU 45 CO 0.05 0.35 0.68 0.28 0.09 0.00 0.00 178.44 179.90 1trv h SER 46 N 0.61 0.37 0.79 -0.43 0.02 -1.54 0.46 113.55 113.83 1trv h SER 46 Ca 0.26 0.07 -0.13 0.00 -0.84 0.00 0.00 61.79 61.15 1trv h SER 46 Cb 0.25 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.77 1trv h SER 46 CO -0.08 0.08 -1.29 -0.33 -1.14 0.00 0.00 176.83 174.07 1trv h GLU 47 N 0.33 0.00 0.00 3.45 5.08 -1.43 -3.33 114.58 118.68 1trv h GLU 47 Ca 0.57 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.84 1trv h GLU 47 Cb 1.57 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.81 1trv h GLU 47 CO -0.24 0.22 -0.78 -0.22 -1.00 0.00 0.00 179.01 177.00 1trv h LYS 48 N 0.00 0.00 -2.34 2.33 3.64 -0.50 -3.39 116.57 116.31 1trv h LYS 48 Ca -0.12 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.67 1trv h LYS 48 Cb 1.44 0.00 -0.40 0.00 -0.41 0.00 0.00 32.23 32.86 1trv h LYS 48 CO 0.04 0.29 -0.83 0.66 -2.27 0.00 0.00 179.45 177.34 1trv n TYR 49 N -3.02 1.39 0.91 1.91 4.01 0.13 -4.91 117.16 117.59 1trv n TYR 49 Ca -0.01 -3.83 0.07 0.00 -0.16 0.00 0.00 57.90 53.97 1trv n TYR 49 Cb 0.71 -0.34 0.44 0.00 -0.31 0.00 0.00 39.34 39.84 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 1.65 0.00 -1.39 7.72 3.41 -1.25 -1.79 113.62 121.97 1trv n SER 50 Ca 0.25 -0.43 0.11 0.00 -0.26 0.00 0.00 58.87 58.54 1trv n SER 50 Cb 0.45 -0.02 0.33 0.00 -0.26 0.00 0.00 64.21 64.71 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 -1.02 4.07 -4.16 4.04 5.15 -1.26 -4.91 115.26 117.17 1trv n ASN 51 Ca 0.11 -2.14 -0.18 0.00 -0.60 0.00 0.00 54.58 51.77 1trv n ASN 51 Cb 0.05 -0.51 -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 -1.31 1.07 -0.29 3.44 1.01 -0.74 -4.75 120.40 118.84 1trv s VAL 52 Ca 0.48 -1.28 -0.12 0.00 0.00 0.00 0.00 61.98 61.07 1trv s VAL 52 Cb 0.27 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.57 1trv s VAL 52 CO 0.30 -0.23 0.21 -0.63 0.00 0.00 0.00 175.10 174.75 1trv s ILE 53 N -1.26 5.30 -0.14 2.22 -1.09 -1.18 -5.00 121.20 120.05 1trv s ILE 53 Ca -0.02 0.11 -0.02 0.00 -2.23 0.00 0.00 60.65 58.48 1trv s ILE 53 Cb -0.10 -3.57 -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 0.00 174.94 173.50 1trv s PHE 54 N 1.77 2.96 0.43 3.97 0.08 -1.26 -1.49 117.98 124.43 1trv s PHE 54 Ca 0.07 -0.40 0.07 0.00 0.12 0.00 0.00 56.93 56.80 1trv s PHE 54 Cb -0.16 -1.91 -0.03 0.00 -0.57 0.00 0.00 43.02 40.34 1trv s PHE 54 CO 0.11 -0.08 0.30 -0.51 -0.10 0.00 0.00 175.22 174.94 1trv s LEU 55 N 0.32 3.23 -0.22 -0.37 1.02 -1.03 -3.17 118.68 118.46 1trv s LEU 55 Ca -0.06 -0.91 -0.04 0.00 0.02 0.00 0.00 54.13 53.14 1trv s LEU 55 Cb -0.15 -1.75 0.09 0.00 0.02 0.00 0.00 46.19 44.40 1trv s LEU 55 CO 0.04 -0.65 0.18 -0.70 0.02 0.00 0.00 176.35 175.24 1trv s GLU 56 N -4.06 0.17 0.12 1.70 2.12 -0.48 -2.43 118.70 115.84 1trv s GLU 56 Ca 0.44 -0.04 0.04 0.00 0.36 0.00 0.00 54.97 55.78 1trv s GLU 56 Cb -0.00 -1.30 -0.04 0.00 0.26 0.00 0.00 34.13 33.05 1trv s GLU 56 CO 0.25 -0.77 0.08 0.08 -0.54 0.00 0.00 175.26 174.37 1trv s VAL 57 N 2.25 4.40 -0.16 3.70 1.01 -0.35 -1.35 120.40 129.88 1trv s VAL 57 Ca 0.06 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.11 1trv s VAL 57 Cb -0.16 -3.17 0.01 0.00 0.00 0.00 0.00 36.38 33.07 1trv s VAL 57 CO -0.18 0.03 -0.20 -0.62 0.00 0.00 0.00 175.10 174.13 1trv s ASP 58 N -2.65 3.19 0.00 3.32 2.15 -1.26 -3.00 116.67 118.42 1trv s ASP 58 Ca 0.29 -0.61 0.09 0.00 0.43 0.00 0.00 52.55 52.75 1trv s ASP 58 Cb -0.11 -1.48 0.42 0.00 -0.30 0.00 0.00 42.92 41.45 1trv s ASP 58 CO 0.22 0.04 1.20 1.33 -0.17 0.00 0.00 175.17 177.78 1trv n VAL 59 N 4.37 0.99 -0.13 1.11 0.24 -1.17 0.47 118.33 124.21 1trv n VAL 59 Ca -0.20 0.25 -0.25 0.00 -2.04 0.00 0.00 64.34 62.09 1trv n VAL 59 Cb 0.51 -1.10 -0.10 0.00 -1.47 0.00 0.00 33.84 31.68 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 -1.35 1.92 0.01 -1.34 9.92 -1.26 -3.60 116.55 120.84 1trv n ASP 60 Ca 0.04 0.19 -0.08 0.00 -0.53 0.00 0.00 54.79 54.40 1trv n ASP 60 Cb 0.08 -0.66 -0.13 0.00 -0.64 0.00 0.00 41.12 39.77 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 -0.67 0.02 -0.64 -2.24 3.58 -1.91 -3.35 116.42 111.20 1trv h ASP 61 Ca -0.63 -0.03 -0.44 0.00 0.42 0.00 0.00 57.03 56.35 1trv h ASP 61 Cb 1.66 -0.01 -0.29 0.00 1.72 0.00 0.00 39.33 42.41 1trv h ASP 61 CO -0.31 1.02 -0.29 0.00 -2.88 0.00 0.00 179.24 176.78 1trv n ALA 62 N -2.49 5.01 0.16 -0.78 0.00 0.18 -4.74 120.51 117.85 1trv n ALA 62 Ca -0.11 -3.54 0.08 0.00 0.00 0.00 0.00 53.44 49.87 1trv n ALA 62 Cb 1.01 -0.70 0.42 0.00 0.00 0.00 0.00 19.45 20.18 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 -0.88 0.10 -0.08 0.00 10.64 -1.20 -0.64 117.38 125.32 1trv n GLN 63 Ca 0.43 0.58 -0.14 0.00 -1.83 0.00 0.00 57.00 56.05 1trv n GLN 63 Cb 0.91 -2.03 -0.02 0.00 -0.86 0.00 0.00 30.24 28.23 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 0.95 0.71 2.61 2.03 -1.89 -2.30 116.42 118.53 1trv h ASP 64 Ca 0.00 -0.49 -0.24 0.00 -0.73 0.00 0.00 57.03 55.57 1trv h ASP 64 Cb 0.39 -0.27 -0.01 0.00 -0.83 0.00 0.00 39.33 38.61 1trv h ASP 64 CO 0.00 1.28 -1.11 0.58 -1.03 0.00 0.00 179.24 178.96 1trv h VAL 65 N 0.67 1.55 -0.72 4.15 2.07 -1.20 -3.21 116.25 119.57 1trv h VAL 65 Ca 0.03 -3.07 -0.04 0.00 0.82 0.00 0.00 66.70 64.44 1trv h VAL 65 Cb 1.11 2.83 -0.03 0.00 -1.52 0.00 0.00 31.29 33.67 1trv h VAL 65 CO 0.11 0.89 0.31 0.00 0.02 0.00 0.00 177.57 178.90 1trv h ALA 66 N 0.76 1.19 0.00 1.67 0.00 -1.44 -1.64 119.26 119.79 1trv h ALA 66 Ca -0.09 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.60 1trv h ALA 66 Cb 1.83 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 1trv h ALA 66 CO 0.17 0.60 -0.26 1.03 0.00 0.00 0.00 179.25 180.79 1trv h SER 67 N 1.03 0.00 0.79 0.00 0.87 -1.44 0.38 113.55 115.18 1trv h SER 67 Ca 0.24 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.77 1trv h SER 67 Cb 0.16 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.13 1trv h SER 67 CO -0.02 0.26 -0.38 -0.08 -0.53 0.00 0.00 176.83 176.08 1trv h GLU 68 N 0.00 -1.02 -0.00 2.24 4.81 -1.30 -2.30 114.58 117.01 1trv h GLU 68 Ca -0.00 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.30 1trv h GLU 68 Cb 0.47 0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.09 1trv h GLU 68 CO 0.03 -0.67 -0.01 0.00 -0.73 0.00 0.00 179.01 177.63 1trv n ALA 69 N -2.57 2.66 -3.50 2.92 0.00 -1.15 -4.93 120.51 113.94 1trv n ALA 69 Ca -0.15 -0.25 -0.20 0.00 0.00 0.00 0.00 53.44 52.84 1trv n ALA 69 Cb 0.43 -1.43 0.03 0.00 0.00 0.00 0.00 19.45 18.47 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 -0.79 -1.40 -2.79 0.00 -0.58 0.13 -4.87 120.64 110.34 1trv n GLU 70 Ca 0.21 0.84 -0.43 0.00 -0.42 0.00 0.00 57.16 57.37 1trv n GLU 70 Cb 0.18 -4.34 -0.04 0.00 -0.57 0.00 0.00 31.44 26.67 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 -3.23 4.30 -0.22 2.62 1.01 -0.78 -4.84 120.40 119.26 1trv s VAL 71 Ca 0.25 0.34 0.15 0.00 0.00 0.00 0.00 61.98 62.72 1trv s VAL 71 Cb -0.08 -4.59 0.56 0.00 0.00 0.00 0.00 36.38 32.27 1trv s VAL 71 CO 0.83 -1.20 1.49 0.29 0.00 0.00 0.00 175.10 176.51 1trv n LYS 72 N 7.70 2.90 -3.20 2.72 5.02 -1.26 -4.85 118.16 127.19 1trv n LYS 72 Ca 0.03 -2.95 0.00 0.00 -2.02 0.00 0.00 58.31 53.37 1trv n LYS 72 Cb 0.48 -1.90 -0.02 0.00 -0.02 0.00 0.00 35.03 33.56 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 -2.92 -2.02 0.14 7.82 0.00 -1.26 -5.16 121.76 118.35 1trv s ALA 73 Ca 0.45 0.99 0.03 0.00 0.00 0.00 0.00 51.96 53.42 1trv s ALA 73 Cb 0.37 -2.32 -0.04 0.00 0.00 0.00 0.00 23.12 21.13 1trv s ALA 73 CO 0.08 -1.70 0.21 0.95 0.00 0.00 0.00 175.76 175.30 1trv s THR 74 N 2.75 4.98 0.72 0.00 -4.23 -1.26 -4.19 115.64 114.41 1trv s THR 74 Ca 0.12 -0.79 -0.11 0.00 -1.18 0.00 0.00 61.69 59.73 1trv s THR 74 Cb -0.12 -3.53 0.02 0.00 1.34 0.00 0.00 72.50 70.22 1trv s THR 74 CO -0.26 -0.05 1.08 -2.16 -0.54 0.00 0.00 174.62 172.70 1trv s PRO 75 N -3.02 2.73 -0.11 3.99 0.04 -1.26 -4.93 135.00 132.44 1trv s PRO 75 Ca 0.33 0.69 -0.10 0.00 0.04 0.00 0.00 61.00 61.95 1trv s PRO 75 Cb -0.11 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 32.47 1trv s PRO 75 CO 0.26 -1.18 0.30 0.99 0.04 0.00 0.00 177.00 177.42 1trv s THR 76 N -3.19 0.00 0.03 1.26 2.01 -0.54 -3.23 115.64 111.98 1trv s THR 76 Ca 0.58 -0.01 0.09 0.00 0.31 0.00 0.00 61.69 62.66 1trv s THR 76 Cb -0.13 -0.43 -0.03 0.00 0.01 0.00 0.00 72.50 71.93 1trv s THR 76 CO 0.54 -0.01 -0.26 -0.36 -0.69 0.00 0.00 174.62 173.84 1trv s PHE 77 N 0.13 2.34 0.03 4.92 0.40 -0.96 -0.71 117.98 124.13 1trv s PHE 77 Ca -0.00 -0.41 0.06 0.00 -0.60 0.00 0.00 56.93 55.98 1trv s PHE 77 Cb -0.02 -1.42 -0.02 0.00 0.51 0.00 0.00 43.02 42.07 1trv s PHE 77 CO 0.00 0.10 -0.18 -0.65 0.70 0.00 0.00 175.22 175.19 1trv s GLN 78 N -1.11 1.21 -0.35 0.44 -0.21 -1.14 -2.11 119.66 116.39 1trv s GLN 78 Ca 0.11 -0.82 -0.07 0.00 0.02 0.00 0.00 55.36 54.60 1trv s GLN 78 Cb -0.10 -1.26 0.04 0.00 1.00 0.00 0.00 33.01 32.68 1trv s GLN 78 CO 0.02 0.32 0.13 -0.06 -2.12 0.00 0.00 175.29 173.57 1trv s PHE 79 N -0.76 3.26 0.12 0.91 0.40 0.10 -1.67 117.98 120.34 1trv s PHE 79 Ca 0.05 -1.35 0.06 0.00 -0.60 0.00 0.00 56.93 55.09 1trv s PHE 79 Cb -0.08 -2.32 -0.04 0.00 0.51 0.00 0.00 43.02 41.09 1trv s PHE 79 CO 0.01 -0.72 0.01 -0.06 0.70 0.00 0.00 175.22 175.16 1trv s PHE 80 N 1.43 2.95 -0.18 0.36 0.08 0.41 -1.94 117.98 121.09 1trv s PHE 80 Ca -0.01 -0.07 -0.11 0.00 0.12 0.00 0.00 56.93 56.87 1trv s PHE 80 Cb -0.19 -1.48 0.06 0.00 -0.57 0.00 0.00 43.02 40.83 1trv s PHE 80 CO 0.03 0.49 0.44 0.21 -0.10 0.00 0.00 175.22 176.30 1trv s LYS 81 N -2.58 0.44 -1.35 0.44 2.20 -0.70 -1.16 119.74 117.04 1trv s LYS 81 Ca 0.27 0.80 0.00 0.00 -0.36 0.00 0.00 55.97 56.67 1trv s LYS 81 Cb -0.11 0.04 0.00 0.00 -1.51 0.00 0.00 37.83 36.25 1trv s LYS 81 CO 0.19 -0.14 0.00 1.63 -0.36 0.00 0.00 175.35 176.67 1trv n LYS 82 N 4.02 -1.31 -1.65 4.03 5.02 -1.26 0.74 118.16 127.75 1trv n LYS 82 Ca -0.21 0.76 0.00 0.00 -2.02 0.00 0.00 58.31 56.84 1trv n LYS 82 Cb 0.56 -4.99 0.00 0.00 -0.02 0.00 0.00 35.03 30.58 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 -0.21 0.46 2.88 0.72 0.00 -1.26 -5.05 105.19 102.73 1trv n GLY 83 Ca -0.13 -0.88 -0.22 0.00 0.00 0.00 0.00 46.02 44.79 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 -3.34 0.99 0.07 1.61 -0.21 0.23 -5.11 119.66 113.90 1trv s GLN 84 Ca 0.00 -0.12 -0.31 0.00 0.02 0.00 0.00 55.36 54.96 1trv s GLN 84 Cb 0.00 -1.05 -0.08 0.00 1.00 0.00 0.00 33.01 32.88 1trv s GLN 84 CO 0.00 -0.15 1.60 0.21 -2.12 0.00 0.00 175.29 174.83 1trv s LYS 85 N 1.25 4.21 -0.00 2.91 2.20 -1.26 -1.73 119.74 127.32 1trv s LYS 85 Ca -0.05 2.27 0.02 0.00 -0.36 0.00 0.00 55.97 57.85 1trv s LYS 85 Cb -0.14 -3.55 -0.03 0.00 -1.51 0.00 0.00 37.83 32.60 1trv s LYS 85 CO -0.02 -0.69 0.07 1.33 -0.36 0.00 0.00 175.35 175.67 1trv n VAL 86 N 4.64 0.00 -3.58 4.02 0.24 -0.82 -4.96 118.33 117.88 1trv n VAL 86 Ca 0.15 -0.17 -0.05 0.00 -2.04 0.00 0.00 64.34 62.23 1trv n VAL 86 Cb 0.41 0.61 -0.02 0.00 -1.47 0.00 0.00 33.84 33.37 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 -1.97 -0.34 -0.05 7.63 0.00 -1.19 -5.03 107.32 106.37 1trv s GLY 87 Ca -0.00 1.36 -0.31 0.00 0.00 0.00 0.00 44.72 45.77 1trv s GLY 87 CO 0.10 0.45 1.16 -1.83 0.00 0.00 0.00 173.10 172.98 1trv s GLU 88 N -2.62 0.54 -0.01 2.90 4.04 -1.26 0.01 118.70 122.30 1trv s GLU 88 Ca 0.09 -0.26 -0.30 0.00 0.04 0.00 0.00 54.97 54.54 1trv s GLU 88 Cb -0.01 0.21 0.10 0.00 0.02 0.00 0.00 34.13 34.46 1trv s GLU 88 CO -0.06 -0.24 1.06 -0.59 -1.84 0.00 0.00 175.26 173.59 1trv s PHE 89 N -2.64 -0.18 0.01 4.83 -0.12 -0.90 -4.99 117.98 113.98 1trv s PHE 89 Ca 0.11 0.02 0.04 0.00 -0.05 0.00 0.00 56.93 57.05 1trv s PHE 89 Cb 0.01 0.56 -0.01 0.00 -0.63 0.00 0.00 43.02 42.95 1trv s PHE 89 CO -0.04 -0.48 -0.12 -1.54 -0.05 0.00 0.00 175.22 172.99 1trv s SER 90 N -2.63 1.43 0.00 1.98 1.04 -1.26 -2.25 113.70 112.00 1trv s SER 90 Ca 0.10 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.24 1trv s SER 90 Cb 0.00 -0.13 0.00 0.00 0.10 0.00 0.00 66.02 65.99 1trv s SER 90 CO -0.04 0.10 0.00 0.61 0.98 0.00 0.00 173.24 174.89 1trv n GLY 91 N 2.52 4.13 1.57 7.32 0.00 -1.20 -4.96 105.19 114.57 1trv n GLY 91 Ca -0.15 -0.49 -0.02 0.00 0.00 0.00 0.00 46.02 45.37 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 -1.25 4.31 -3.40 4.61 0.00 -1.26 -4.67 120.51 118.85 1trv n ALA 92 Ca 0.00 -0.25 -0.44 0.00 0.00 0.00 0.00 53.44 52.76 1trv n ALA 92 Cb 0.00 -1.17 -0.02 0.00 0.00 0.00 0.00 19.45 18.27 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 1.98 6.99 0.51 0.00 3.04 -1.26 -4.86 114.94 121.34 1trv s ASN 93 Ca 0.09 -3.50 0.15 0.00 0.04 0.00 0.00 52.86 49.64 1trv s ASN 93 Cb 0.04 -2.15 1.24 0.00 -1.54 0.00 0.00 41.25 38.84 1trv s ASN 93 CO -0.00 -0.30 2.14 0.07 -3.04 0.00 0.00 177.10 175.97 1trv h LYS 94 N 6.68 0.04 -0.06 0.43 -0.00 -1.99 -1.04 116.57 120.64 1trv h LYS 94 Ca 0.16 -0.00 -0.09 0.00 -0.00 0.00 0.00 60.65 60.73 1trv h LYS 94 Cb 0.88 -0.01 -0.01 0.00 -0.00 0.00 0.00 32.23 33.09 1trv h LYS 94 CO 0.95 0.03 -0.36 0.93 -0.00 0.00 0.00 179.45 181.00 1trv h GLU 95 N 0.04 0.12 -0.28 0.07 4.39 -1.99 -2.59 114.58 114.35 1trv h GLU 95 Ca 0.01 -0.05 -0.03 0.00 0.34 0.00 0.00 59.36 59.63 1trv h GLU 95 Cb -0.00 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 1trv h GLU 95 CO -0.00 0.47 0.03 -0.22 -1.16 0.00 0.00 179.01 178.12 1trv h LYS 96 N 0.11 0.41 -0.92 2.33 3.64 -1.59 -1.96 116.57 118.58 1trv h LYS 96 Ca 0.01 -0.07 0.22 0.00 -1.27 0.00 0.00 60.65 59.54 1trv h LYS 96 Cb 0.69 -0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 32.37 1trv h LYS 96 CO 0.05 0.42 0.61 -0.07 -2.27 0.00 0.00 179.45 178.19 1trv h LEU 97 N 0.41 0.39 0.44 5.20 3.38 -1.48 0.32 115.31 123.96 1trv h LEU 97 Ca 0.09 0.04 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 1trv h LEU 97 Cb 0.23 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.95 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 0.38 -0.57 -0.21 1.13 4.57 -1.49 0.22 114.58 118.61 1trv h GLU 98 Ca 0.49 0.04 0.06 0.00 -1.18 0.00 0.00 59.36 58.76 1trv h GLU 98 Cb 1.25 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.96 1trv h GLU 98 CO -0.18 -0.38 0.17 0.00 -1.18 0.00 0.00 179.01 177.43 1trv h ALA 99 N -1.67 2.08 -0.13 2.92 0.00 -1.50 -1.73 119.26 119.23 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 0.45 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1trv h ALA 99 CO 0.10 -0.27 -0.28 1.15 0.00 0.00 0.00 179.25 179.94 1trv h THR 100 N 0.00 1.37 -0.57 0.00 2.02 -0.13 -2.96 112.91 112.64 1trv h THR 100 Ca 0.10 -1.56 0.02 0.00 0.77 0.00 0.00 66.41 65.74 1trv h THR 100 Cb 0.43 2.06 -0.03 0.00 -1.74 0.00 0.00 68.15 68.87 1trv h THR 100 CO -0.00 0.46 0.38 0.40 0.37 0.00 0.00 175.52 177.13 1trv h ILE 101 N 0.01 1.09 0.00 3.11 2.04 0.34 0.45 117.51 124.54 1trv h ILE 101 Ca 0.00 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1trv h ILE 101 Cb 0.88 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1trv h ILE 101 CO 0.06 0.13 0.00 -3.20 0.00 0.00 0.00 178.15 175.14 1trv n ASN 102 N -4.46 0.00 -0.04 1.72 5.15 -0.97 -2.04 115.26 114.63 1trv n ASN 102 Ca 0.06 -0.75 -0.08 0.00 -0.60 0.00 0.00 54.58 53.21 1trv n ASN 102 Cb 0.11 -0.03 -0.07 0.00 -0.53 0.00 0.00 39.78 39.26 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 -0.45 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 0.02 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.41 1trv h GLU 103 CO 0.00 0.46 0.00 1.28 -0.73 0.00 0.00 179.01 180.02 1trv n LEU 104 N -4.74 4.70 0.00 1.64 4.77 -1.22 -5.13 117.00 117.02 1trv n LEU 104 Ca -0.06 -2.83 0.01 0.00 -0.03 0.00 0.00 56.01 53.11 1trv n LEU 104 Cb 0.25 -0.59 0.09 0.00 -2.33 0.00 0.00 43.42 40.84 1trv n LEU 104 CO 0.19 0.68 0.33 0.55 -1.33 0.00 0.00 177.39 177.81