#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1tru s VAL 2 N 0.00 0.12 -0.19 2.03 1.01 -1.26 -3.17 120.40 118.93 1tru s VAL 2 Ca 0.00 -0.97 -0.06 0.00 0.00 0.00 0.00 61.98 60.95 1tru s VAL 2 Cb 0.00 -0.85 0.09 0.00 0.00 0.00 0.00 36.38 35.62 1tru s VAL 2 CO 0.00 -0.53 0.40 -0.75 0.00 0.00 0.00 175.10 174.21 1tru s LYS 3 N -2.45 0.30 -0.00 2.72 2.20 -1.16 -5.02 119.74 116.32 1tru s LYS 3 Ca -0.06 0.95 -0.29 0.00 -0.36 0.00 0.00 55.97 56.21 1tru s LYS 3 Cb -0.02 0.21 -0.03 0.00 -1.51 0.00 0.00 37.83 36.48 1tru s LYS 3 CO -0.04 -0.29 0.92 -1.14 -0.36 0.00 0.00 175.35 174.44 1tru s GLN 4 N 2.58 4.55 -0.47 4.03 0.74 -1.26 -2.97 119.66 126.86 1tru s GLN 4 Ca 0.00 1.31 -0.23 0.00 0.05 0.00 0.00 55.36 56.49 1tru s GLN 4 Cb -0.12 -3.45 0.03 0.00 1.10 0.00 0.00 33.01 30.57 1tru s GLN 4 CO -0.13 0.00 0.81 0.42 -0.55 0.00 0.00 175.29 175.85 1tru s ILE 5 N 0.87 4.60 -0.81 -2.34 -1.09 -1.17 -4.88 121.20 116.38 1tru s ILE 5 Ca 0.49 0.41 0.24 0.00 -2.23 0.00 0.00 60.65 59.56 1tru s ILE 5 Cb -0.21 -4.36 -0.02 0.00 -1.58 0.00 0.00 42.46 36.30 1tru s ILE 5 CO 0.26 -0.78 1.28 -0.62 -1.23 0.00 0.00 174.94 173.85 1tru n GLU 6 N 6.84 0.15 -3.44 2.79 1.02 -1.26 -4.59 120.64 122.14 1tru n GLU 6 Ca 0.02 0.02 -0.12 0.00 -0.02 0.00 0.00 57.16 57.06 1tru n GLU 6 Cb 0.48 -1.57 -0.03 0.00 -0.02 0.00 0.00 31.44 30.30 1tru n GLU 6 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1tru s SER 7 N -3.56 -0.56 0.54 1.62 1.04 -1.26 -4.60 113.70 106.92 1tru s SER 7 Ca 0.08 0.04 0.26 0.00 0.48 0.00 0.00 55.95 56.81 1tru s SER 7 Cb 0.16 0.59 1.42 0.00 0.10 0.00 0.00 66.02 68.28 1tru s SER 7 CO 0.73 -0.93 1.99 0.50 0.98 0.00 0.00 173.24 176.51 1tru h LYS 8 N 2.11 0.00 0.21 4.02 3.64 -1.92 -1.42 116.57 123.21 1tru h LYS 8 Ca -0.33 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.04 1tru h LYS 8 Cb 1.29 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1tru h LYS 8 CO 0.39 0.00 -0.13 1.15 -2.27 0.00 0.00 179.45 178.59 1tru h THR 9 N 0.00 0.72 0.00 1.00 2.02 -2.01 -1.55 112.91 113.10 1tru h THR 9 Ca 0.26 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.43 1tru h THR 9 Cb 1.07 0.72 -0.00 0.00 -1.74 0.00 0.00 68.15 68.20 1tru h THR 9 CO -0.00 0.00 -0.06 0.00 0.37 0.00 0.00 175.52 175.82 1tru h ALA 10 N 0.45 1.30 0.76 6.16 0.00 -1.67 -2.56 119.26 123.69 1tru h ALA 10 Ca -0.02 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1tru h ALA 10 Cb 0.28 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.06 1tru h ALA 10 CO 0.02 0.08 -0.36 0.35 0.00 0.00 0.00 179.25 179.34 1tru h PHE 11 N 0.00 -0.94 -0.27 0.00 3.57 -0.94 0.15 116.94 118.51 1tru h PHE 11 Ca -0.00 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 1tru h PHE 11 Cb 0.21 0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 1tru h PHE 11 CO 0.00 -0.57 0.09 1.96 -2.23 0.00 0.00 178.31 177.56 1tru h GLN 12 N -1.09 0.41 -0.58 1.11 1.08 -1.37 -2.07 115.11 112.59 1tru h GLN 12 Ca -0.10 -0.08 0.04 0.00 -1.45 0.00 0.00 58.65 57.06 1tru h GLN 12 Cb 0.80 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 28.13 1tru h GLN 12 CO 0.17 0.47 0.39 0.93 -0.95 0.00 0.00 178.83 179.83 1tru h GLU 13 N 0.27 0.61 -0.26 1.46 5.08 -1.44 -0.83 114.58 119.48 1tru h GLU 13 Ca 0.09 -0.04 -0.15 0.00 -1.00 0.00 0.00 59.36 58.26 1tru h GLU 13 Cb 0.22 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1tru h GLU 13 CO -0.00 0.41 -0.45 0.00 -1.00 0.00 0.00 179.01 177.97 1tru h ALA 14 N 1.67 0.73 -0.13 3.43 0.00 -0.29 0.90 119.26 125.58 1tru h ALA 14 Ca 0.24 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1tru h ALA 14 Cb 0.16 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1tru h ALA 14 CO -0.07 0.67 -0.10 -0.07 0.00 0.00 0.00 179.25 179.68 1tru h LEU 15 N 0.54 0.31 -0.83 0.00 3.38 -0.59 -1.13 115.31 116.99 1tru h LEU 15 Ca 0.04 -0.46 -0.11 0.00 0.09 0.00 0.00 57.88 57.43 1tru h LEU 15 Cb 0.99 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.64 1tru h LEU 15 CO 0.09 0.70 -0.34 -0.78 0.09 0.00 0.00 178.44 178.20 1tru h ASP 16 N -0.09 0.48 0.72 -0.43 3.58 -1.19 -2.56 116.42 116.95 1tru h ASP 16 Ca 0.02 -0.19 -0.07 0.00 0.42 0.00 0.00 57.03 57.21 1tru h ASP 16 Cb 0.60 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.51 1tru h ASP 16 CO 0.03 0.80 -0.32 0.00 -2.88 0.00 0.00 179.24 176.87 1tru h ALA 17 N 1.23 1.09 -0.13 -0.78 0.00 -0.74 -2.74 119.26 117.20 1tru h ALA 17 Ca 0.05 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1tru h ALA 17 Cb 0.79 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 1tru h ALA 17 CO 0.06 0.40 -0.02 0.00 0.00 0.00 0.00 179.25 179.69 1tru h ALA 18 N 1.68 1.73 0.00 0.00 0.00 -0.76 -3.47 119.26 118.44 1tru h ALA 18 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1tru h ALA 18 Cb 0.76 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1tru h ALA 18 CO 0.04 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.91 1tru n GLY 19 N -1.22 1.87 0.00 0.00 0.00 -1.03 -3.20 105.19 101.61 1tru n GLY 19 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.80 1tru n GLY 19 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1tru n ASP 20 N 7.89 0.64 -4.83 1.61 8.00 -1.26 -4.15 116.55 124.45 1tru n ASP 20 Ca 0.00 -1.31 -0.30 0.00 0.71 0.00 0.00 54.79 53.88 1tru n ASP 20 Cb 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.17 1tru n ASP 20 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1tru s LYS 21 N -0.31 2.44 0.75 -1.24 1.02 -1.19 -4.81 119.74 116.39 1tru s LYS 21 Ca 0.00 0.62 -0.14 0.00 0.02 0.00 0.00 55.97 56.47 1tru s LYS 21 Cb 0.00 -1.96 0.05 0.00 -0.52 0.00 0.00 37.83 35.40 1tru s LYS 21 CO 0.00 -1.37 1.18 -1.17 -0.92 0.00 0.00 175.35 173.08 1tru s LEU 22 N -5.61 3.25 -0.32 3.17 0.20 -1.26 -4.60 118.68 113.50 1tru s LEU 22 Ca 0.60 2.26 0.01 0.00 0.69 0.00 0.00 54.13 57.69 1tru s LEU 22 Cb -0.13 -4.58 0.14 0.00 -0.43 0.00 0.00 46.19 41.19 1tru s LEU 22 CO 0.54 -2.29 0.31 -0.69 -0.29 0.00 0.00 176.35 173.93 1tru s VAL 23 N -2.16 -0.34 -0.31 1.68 1.01 -0.95 -3.25 120.40 116.07 1tru s VAL 23 Ca 0.72 -0.72 -0.12 0.00 0.00 0.00 0.00 61.98 61.86 1tru s VAL 23 Cb -0.27 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.18 1tru s VAL 23 CO 0.47 -0.54 0.22 -0.69 0.00 0.00 0.00 175.10 174.56 1tru s VAL 24 N 1.99 5.29 -0.14 2.92 1.01 -1.04 -0.14 120.40 130.30 1tru s VAL 24 Ca 0.12 -0.02 -0.13 0.00 0.00 0.00 0.00 61.98 61.95 1tru s VAL 24 Cb -0.15 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 1tru s VAL 24 CO -0.22 0.11 0.30 -0.69 0.00 0.00 0.00 175.10 174.60 1tru s VAL 25 N 1.75 5.29 -0.31 2.92 1.01 0.45 -2.45 120.40 129.07 1tru s VAL 25 Ca 0.07 0.56 -0.08 0.00 0.00 0.00 0.00 61.98 62.53 1tru s VAL 25 Cb -0.17 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.59 1tru s VAL 25 CO 0.11 0.43 0.11 -0.62 0.00 0.00 0.00 175.10 175.12 1tru s ASP 26 N 0.18 5.27 -0.53 3.32 2.15 -0.68 -1.05 116.67 125.33 1tru s ASP 26 Ca 0.17 -0.70 -0.16 0.00 0.43 0.00 0.00 52.55 52.29 1tru s ASP 26 Cb -0.13 -1.92 0.12 0.00 -0.30 0.00 0.00 42.92 40.68 1tru s ASP 26 CO 0.05 -0.21 0.50 -0.36 -0.17 0.00 0.00 175.17 174.98 1tru s PHE 27 N 1.53 3.22 0.20 -5.34 0.08 0.44 -2.58 117.98 115.53 1tru s PHE 27 Ca 0.03 -1.18 -0.03 0.00 0.12 0.00 0.00 56.93 55.87 1tru s PHE 27 Cb -0.17 -3.70 -0.03 0.00 -0.57 0.00 0.00 43.02 38.54 1tru s PHE 27 CO 0.04 -1.01 0.19 -1.54 -0.10 0.00 0.00 175.22 172.80 1tru s SER 28 N 3.40 0.11 -0.53 1.36 1.04 -1.19 -1.83 113.70 116.07 1tru s SER 28 Ca 0.04 -1.29 -0.17 0.00 0.48 0.00 0.00 55.95 55.01 1tru s SER 28 Cb -0.28 0.41 0.09 0.00 0.10 0.00 0.00 66.02 66.34 1tru s SER 28 CO 0.04 -0.89 0.55 0.00 0.98 0.00 0.00 173.24 173.93 1tru s ALA 29 N -4.13 3.50 0.53 5.32 0.00 -1.26 -3.14 121.76 122.59 1tru s ALA 29 Ca 0.35 -2.14 0.24 0.00 0.00 0.00 0.00 51.96 50.41 1tru s ALA 29 Cb 0.06 -3.30 1.39 0.00 0.00 0.00 0.00 23.12 21.27 1tru s ALA 29 CO 0.11 -2.02 2.03 0.00 0.00 0.00 0.00 175.76 175.88 1tru h THR 30 N 5.85 0.76 -0.04 0.00 1.03 -1.95 -0.00 112.91 118.56 1tru h THR 30 Ca -0.29 0.00 -0.24 0.00 -0.01 0.00 0.00 66.41 65.87 1tru h THR 30 Cb 1.10 0.79 0.01 0.00 -1.07 0.00 0.00 68.15 68.99 1tru h THR 30 CO 0.99 0.00 -0.94 4.11 -0.01 0.00 0.00 175.52 179.67 1tru h TRP 31 N 0.00 0.91 -2.89 0.00 5.08 -2.02 -3.45 115.95 113.58 1tru h TRP 31 Ca 0.19 -0.47 -0.48 0.00 1.08 0.00 0.00 58.89 59.21 1tru h TRP 31 Cb 0.77 -0.12 0.22 0.00 -3.00 0.00 0.00 29.16 27.04 1tru h TRP 31 CO 0.00 1.29 -0.70 0.00 -1.28 0.00 0.00 178.44 177.76 1tru n GLY 33 N 1.61 -0.38 0.35 0.00 0.00 -1.26 -3.93 105.19 101.59 1tru n GLY 33 Ca 0.03 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.22 1tru n GLY 33 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1tru h PRO 34 N 0.00 0.00 0.06 1.61 0.11 -1.96 0.06 132.00 131.88 1tru h PRO 34 Ca 0.00 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.01 1tru h PRO 34 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 1tru h PRO 34 CO 0.00 0.00 -0.49 0.00 -0.21 0.00 0.00 178.00 177.30 1tru n LYS 36 N -4.38 0.10 0.12 0.00 4.81 -0.11 -2.13 118.16 116.58 1tru n LYS 36 Ca -0.14 0.42 0.11 0.00 -0.87 0.00 0.00 58.31 57.83 1tru n LYS 36 Cb 0.65 -1.72 0.49 0.00 0.02 0.00 0.00 35.03 34.46 1tru n LYS 36 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1tru n MET 37 N -1.91 0.17 -0.87 1.64 2.81 -0.53 -2.22 117.12 116.21 1tru n MET 37 Ca 0.02 0.45 -0.05 0.00 -1.81 0.00 0.00 57.70 56.30 1tru n MET 37 Cb 0.15 -1.86 0.26 0.00 -0.71 0.00 0.00 33.22 31.06 1tru n MET 37 CO 0.00 0.00 0.00 -0.89 1.51 0.00 0.00 175.97 176.59 1tru n ILE 38 N -2.18 2.55 0.05 2.02 5.41 -0.90 -4.33 119.36 121.97 1tru n ILE 38 Ca 0.02 -1.36 0.00 0.00 1.00 0.00 0.00 62.75 62.41 1tru n ILE 38 Cb 0.19 -0.42 -0.07 0.00 -0.71 0.00 0.00 39.64 38.63 1tru n ILE 38 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.55 176.62 1tru h LYS 39 N 2.29 0.00 0.00 0.38 2.10 -1.67 -3.24 116.57 116.43 1tru h LYS 39 Ca 0.23 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.88 1tru h LYS 39 Cb 2.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.43 1tru h LYS 39 CO 0.63 0.31 0.00 -0.35 -2.00 0.00 0.00 179.45 178.05 1tru n PRO 40 N -2.93 0.66 0.00 0.07 -0.04 -1.26 -2.65 135.00 128.85 1tru n PRO 40 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1tru n PRO 40 Cb 0.82 -1.24 0.00 0.00 -0.04 0.00 0.00 33.50 33.04 1tru n PRO 40 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1tru n PHE 41 N -0.74 0.00 0.42 0.54 3.72 -1.24 -4.36 117.46 115.80 1tru n PHE 41 Ca 0.08 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.31 1tru n PHE 41 Cb 0.03 0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.49 1tru n PHE 41 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 1tru h PHE 42 N 0.00 -1.02 0.00 1.38 3.57 -1.68 -1.95 116.94 117.24 1tru h PHE 42 Ca 0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1tru h PHE 42 Cb 0.00 0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.08 1tru h PHE 42 CO 0.00 -0.63 0.00 1.58 -2.23 0.00 0.00 178.31 177.03 1tru n HIS 43 N -4.94 0.00 0.03 0.41 -0.00 -1.08 -2.17 115.22 107.46 1tru n HIS 43 Ca -0.13 0.00 -0.06 0.00 0.46 0.00 0.00 57.72 57.98 1tru n HIS 43 Cb 0.43 -0.27 -0.11 0.00 -0.12 0.00 0.00 29.99 29.92 1tru n HIS 43 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1tru h SER 44 N 0.00 0.00 0.03 0.26 0.87 -1.24 -3.27 113.55 110.20 1tru h SER 44 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 1tru h SER 44 Cb 0.09 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.05 1tru h SER 44 CO 0.00 0.92 0.00 0.18 -0.53 0.00 0.00 176.83 177.40 1tru n LEU 45 N -3.16 0.49 0.06 2.23 4.77 -0.92 -1.67 117.00 118.80 1tru n LEU 45 Ca -0.08 0.72 0.12 0.00 -0.03 0.00 0.00 56.01 56.74 1tru n LEU 45 Cb 0.96 -0.78 0.59 0.00 -2.33 0.00 0.00 43.42 41.86 1tru n LEU 45 CO 0.45 -0.88 1.15 0.28 -1.33 0.00 0.00 177.39 177.06 1tru h SER 46 N 0.00 0.16 0.66 -1.43 0.02 -1.74 0.41 113.55 111.63 1tru h SER 46 Ca 0.00 0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.74 1tru h SER 46 Cb 0.01 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.48 1tru h SER 46 CO 0.00 0.11 -1.48 -0.33 -1.14 0.00 0.00 176.83 173.99 1tru h GLU 47 N 0.19 0.00 0.00 3.45 4.39 -1.59 -3.37 114.58 117.64 1tru h GLU 47 Ca 0.16 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.76 1tru h GLU 47 Cb 0.41 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 1tru h GLU 47 CO -0.03 0.40 -0.56 -0.22 -1.16 0.00 0.00 179.01 177.44 1tru h LYS 48 N 0.00 0.00 -3.63 2.33 3.64 -1.38 -3.42 116.57 114.11 1tru h LYS 48 Ca -0.20 0.00 -0.73 0.00 -1.27 0.00 0.00 60.65 58.46 1tru h LYS 48 Cb 1.75 0.00 -0.32 0.00 -0.41 0.00 0.00 32.23 33.25 1tru h LYS 48 CO 0.06 0.91 -0.21 0.71 -2.27 0.00 0.00 179.45 178.66 1tru s TYR 49 N -2.25 3.53 -1.27 1.91 1.51 0.14 -4.89 117.35 116.02 1tru s TYR 49 Ca -0.22 -2.51 0.18 0.00 -1.01 0.00 0.00 57.07 53.51 1tru s TYR 49 Cb 0.01 -3.40 0.86 0.00 -0.11 0.00 0.00 41.96 39.32 1tru s TYR 49 CO 0.59 -0.88 1.56 -1.13 -1.11 0.00 0.00 175.55 174.58 1tru n SER 50 N 3.57 0.00 -2.23 2.29 3.41 -1.26 -2.87 113.62 116.53 1tru n SER 50 Ca 0.10 0.20 -0.24 0.00 -0.26 0.00 0.00 58.87 58.67 1tru n SER 50 Cb 0.41 -0.36 0.17 0.00 -0.26 0.00 0.00 64.21 64.17 1tru n SER 50 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1tru n ASN 51 N -1.36 3.95 -4.03 4.04 5.15 -1.26 -4.42 115.26 117.33 1tru n ASN 51 Ca 0.07 -3.62 -0.20 0.00 -0.60 0.00 0.00 54.58 50.23 1tru n ASN 51 Cb 0.17 -0.85 -0.15 0.00 -0.53 0.00 0.00 39.78 38.42 1tru n ASN 51 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1tru s VAL 52 N -3.38 0.83 -0.34 3.44 1.01 -1.14 -4.69 120.40 116.13 1tru s VAL 52 Ca 0.57 -0.41 -0.13 0.00 0.00 0.00 0.00 61.98 62.01 1tru s VAL 52 Cb 0.48 -0.72 -0.02 0.00 0.00 0.00 0.00 36.38 36.13 1tru s VAL 52 CO 0.10 0.25 0.27 -0.63 0.00 0.00 0.00 175.10 175.09 1tru s ILE 53 N 0.01 5.26 -0.19 2.22 -1.09 -1.20 -3.58 121.20 122.63 1tru s ILE 53 Ca -0.00 -0.17 -0.05 0.00 -2.23 0.00 0.00 60.65 58.20 1tru s ILE 53 Cb -0.07 -3.74 -0.03 0.00 -1.58 0.00 0.00 42.46 37.04 1tru s ILE 53 CO 0.00 -0.03 0.01 -0.36 -1.23 0.00 0.00 174.94 173.32 1tru s PHE 54 N 1.79 3.07 -0.11 3.97 0.08 -1.19 -2.49 117.98 123.09 1tru s PHE 54 Ca 0.07 -0.34 -0.03 0.00 0.12 0.00 0.00 56.93 56.75 1tru s PHE 54 Cb -0.17 -2.06 -0.03 0.00 -0.57 0.00 0.00 43.02 40.18 1tru s PHE 54 CO 0.11 -0.14 0.01 -0.51 -0.10 0.00 0.00 175.22 174.59 1tru s LEU 55 N 0.80 3.59 -0.31 -0.37 1.02 -1.03 -3.01 118.68 119.37 1tru s LEU 55 Ca 0.01 0.10 -0.03 0.00 0.02 0.00 0.00 54.13 54.22 1tru s LEU 55 Cb -0.14 -1.84 0.05 0.00 0.02 0.00 0.00 46.19 44.27 1tru s LEU 55 CO 0.02 0.31 0.03 -0.70 0.02 0.00 0.00 176.35 176.03 1tru s GLU 56 N -0.47 2.50 -0.17 1.70 2.12 -1.16 -1.69 118.70 121.53 1tru s GLU 56 Ca 0.09 -1.23 -0.05 0.00 0.36 0.00 0.00 54.97 54.14 1tru s GLU 56 Cb -0.12 -3.26 -0.03 0.00 0.26 0.00 0.00 34.13 30.98 1tru s GLU 56 CO 0.02 -0.62 -0.00 0.08 -0.54 0.00 0.00 175.26 174.19 1tru s VAL 57 N 1.30 4.11 -0.33 3.70 1.01 -1.07 -3.05 120.40 126.07 1tru s VAL 57 Ca -0.04 -0.27 -0.16 0.00 0.00 0.00 0.00 61.98 61.51 1tru s VAL 57 Cb -0.20 -2.83 -0.01 0.00 0.00 0.00 0.00 36.38 33.34 1tru s VAL 57 CO 0.00 0.47 0.40 -0.62 0.00 0.00 0.00 175.10 175.34 1tru s ASP 58 N 0.55 6.22 0.00 3.32 2.15 -1.26 -3.20 116.67 124.44 1tru s ASP 58 Ca -0.01 -0.12 0.01 0.00 0.43 0.00 0.00 52.55 52.86 1tru s ASP 58 Cb -0.14 -2.21 0.08 0.00 -0.30 0.00 0.00 42.92 40.35 1tru s ASP 58 CO 0.02 -0.35 0.34 1.33 -0.17 0.00 0.00 175.17 176.34 1tru n VAL 59 N 5.26 0.00 -0.04 1.11 0.24 -1.19 -1.04 118.33 122.69 1tru n VAL 59 Ca -0.08 0.00 -0.05 0.00 -2.04 0.00 0.00 64.34 62.17 1tru n VAL 59 Cb 0.49 -0.51 -0.03 0.00 -1.47 0.00 0.00 33.84 32.32 1tru n VAL 59 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1tru n ASP 60 N -0.61 3.45 0.03 -1.34 9.92 -1.26 -4.42 116.55 122.32 1tru n ASP 60 Ca 0.01 -0.04 -0.22 0.00 -0.53 0.00 0.00 54.79 54.01 1tru n ASP 60 Cb 0.00 -0.11 -0.14 0.00 -0.64 0.00 0.00 41.12 40.23 1tru n ASP 60 CO 0.00 0.00 0.00 -0.78 0.13 0.00 0.00 177.20 176.55 1tru h ASP 61 N 0.00 0.47 -1.97 -2.24 3.58 -1.86 -3.37 116.42 111.03 1tru h ASP 61 Ca -0.16 -0.90 -0.74 0.00 0.42 0.00 0.00 57.03 55.65 1tru h ASP 61 Cb 1.25 -0.15 -0.30 0.00 1.72 0.00 0.00 39.33 41.85 1tru h ASP 61 CO -0.02 1.74 0.75 0.00 -2.88 0.00 0.00 179.24 178.83 1tru n ALA 62 N -2.96 6.20 0.12 -0.78 0.00 -0.20 -4.72 120.51 118.17 1tru n ALA 62 Ca -0.27 -4.24 0.07 0.00 0.00 0.00 0.00 53.44 49.01 1tru n ALA 62 Cb 0.99 -1.78 0.40 0.00 0.00 0.00 0.00 19.45 19.06 1tru n ALA 62 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1tru n GLN 63 N -0.46 0.09 -0.04 0.00 6.02 -1.26 -1.14 117.38 120.60 1tru n GLN 63 Ca 0.50 0.58 -0.16 0.00 -0.01 0.00 0.00 57.00 57.91 1tru n GLN 63 Cb 0.30 -1.87 -0.07 0.00 1.02 0.00 0.00 30.24 29.62 1tru n GLN 63 CO 0.00 0.00 0.00 0.38 -1.01 0.00 0.00 177.06 176.43 1tru h ASP 64 N 0.00 0.74 0.36 1.08 2.03 -1.93 -1.61 116.42 117.08 1tru h ASP 64 Ca 0.00 -0.60 -0.19 0.00 -0.73 0.00 0.00 57.03 55.50 1tru h ASP 64 Cb 0.12 -0.22 -0.00 0.00 -0.83 0.00 0.00 39.33 38.40 1tru h ASP 64 CO 0.00 1.21 -0.80 0.58 -1.03 0.00 0.00 179.24 179.20 1tru h VAL 65 N 0.30 1.41 -0.02 4.15 2.07 -1.50 -2.96 116.25 119.70 1tru h VAL 65 Ca -0.02 -2.31 -0.08 0.00 0.82 0.00 0.00 66.70 65.11 1tru h VAL 65 Cb 1.16 2.26 -0.01 0.00 -1.52 0.00 0.00 31.29 33.17 1tru h VAL 65 CO 0.11 0.69 -0.36 0.00 0.02 0.00 0.00 177.57 178.03 1tru h ALA 66 N 0.92 1.37 0.52 1.67 0.00 -1.44 0.85 119.26 123.15 1tru h ALA 66 Ca -0.04 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.51 1tru h ALA 66 Cb 1.40 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.13 1tru h ALA 66 CO 0.13 0.47 -0.25 0.66 0.00 0.00 0.00 179.25 180.26 1tru h SER 67 N 0.04 -0.59 0.02 0.00 4.64 -1.17 -2.04 113.55 114.44 1tru h SER 67 Ca 0.00 0.01 -0.03 0.00 -0.47 0.00 0.00 61.79 61.30 1tru h SER 67 Cb 0.65 0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.89 1tru h SER 67 CO 0.05 -0.18 -0.07 -0.08 -0.87 0.00 0.00 176.83 175.67 1tru h GLU 68 N -1.18 0.14 0.00 4.77 4.57 -1.52 0.81 114.58 122.17 1tru h GLU 68 Ca -0.07 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.09 1tru h GLU 68 Cb 0.55 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.11 1tru h GLU 68 CO 0.12 0.23 0.00 0.00 -1.18 0.00 0.00 179.01 178.18 1tru n ALA 69 N -2.50 1.86 -3.95 2.92 0.00 0.29 -4.87 120.51 114.25 1tru n ALA 69 Ca -0.01 -0.05 -0.28 0.00 0.00 0.00 0.00 53.44 53.10 1tru n ALA 69 Cb 0.20 -1.32 -0.00 0.00 0.00 0.00 0.00 19.45 18.33 1tru n ALA 69 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1tru n GLU 70 N -1.59 -4.10 -2.83 0.00 4.07 0.28 -4.88 120.64 111.58 1tru n GLU 70 Ca 0.04 0.49 -0.43 0.00 -0.06 0.00 0.00 57.16 57.20 1tru n GLU 70 Cb 0.23 -4.99 -0.04 0.00 -0.06 0.00 0.00 31.44 26.58 1tru n GLU 70 CO 0.00 0.00 0.00 0.08 -0.06 0.00 0.00 177.13 177.15 1tru s VAL 71 N -3.62 4.51 -0.06 6.31 1.01 -1.07 -4.84 120.40 122.64 1tru s VAL 71 Ca 0.30 0.79 0.08 0.00 0.00 0.00 0.00 61.98 63.15 1tru s VAL 71 Cb -0.16 -4.40 0.12 0.00 0.00 0.00 0.00 36.38 31.94 1tru s VAL 71 CO 0.87 -0.77 1.05 0.29 0.00 0.00 0.00 175.10 176.54 1tru n LYS 72 N 7.05 2.14 -3.31 2.72 4.76 -1.26 -4.89 118.16 125.37 1tru n LYS 72 Ca 0.06 -1.93 -0.11 0.00 -2.87 0.00 0.00 58.31 53.46 1tru n LYS 72 Cb 0.48 -1.19 -0.06 0.00 -1.84 0.00 0.00 35.03 32.43 1tru n LYS 72 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1tru s ALA 73 N -1.76 -1.06 0.23 7.82 0.00 -1.26 -5.15 121.76 120.58 1tru s ALA 73 Ca 0.14 -0.50 -0.02 0.00 0.00 0.00 0.00 51.96 51.57 1tru s ALA 73 Cb 0.12 -2.24 -0.05 0.00 0.00 0.00 0.00 23.12 20.95 1tru s ALA 73 CO 0.01 -2.11 0.44 0.95 0.00 0.00 0.00 175.76 175.05 1tru s THR 74 N 1.69 5.14 0.49 0.00 -4.23 -1.26 -4.05 115.64 113.42 1tru s THR 74 Ca 0.16 -0.20 -0.19 0.00 -1.18 0.00 0.00 61.69 60.27 1tru s THR 74 Cb -0.12 -3.73 -0.08 0.00 1.34 0.00 0.00 72.50 69.91 1tru s THR 74 CO -0.08 -0.21 1.01 -2.16 -0.54 0.00 0.00 174.62 172.64 1tru s PRO 75 N -3.35 3.88 -0.03 3.99 0.04 -1.26 -5.00 135.00 133.26 1tru s PRO 75 Ca 0.40 1.20 -0.00 0.00 0.04 0.00 0.00 61.00 62.64 1tru s PRO 75 Cb -0.11 -2.12 0.03 0.00 0.04 0.00 0.00 34.50 32.34 1tru s PRO 75 CO 0.29 -0.35 0.01 0.99 0.04 0.00 0.00 177.00 177.99 1tru s THR 76 N -2.21 0.13 -0.09 1.26 2.01 -0.76 -3.33 115.64 112.64 1tru s THR 76 Ca 0.64 0.16 -0.01 0.00 0.31 0.00 0.00 61.69 62.79 1tru s THR 76 Cb -0.13 -0.26 -0.03 0.00 0.01 0.00 0.00 72.50 72.09 1tru s THR 76 CO 0.22 0.16 -0.03 -0.36 -0.69 0.00 0.00 174.62 173.91 1tru s PHE 77 N 1.31 3.04 -0.01 4.92 0.40 -1.12 -0.42 117.98 126.10 1tru s PHE 77 Ca -0.06 0.03 0.06 0.00 -0.60 0.00 0.00 56.93 56.36 1tru s PHE 77 Cb -0.13 -1.79 -0.01 0.00 0.51 0.00 0.00 43.02 41.59 1tru s PHE 77 CO -0.02 0.31 -0.18 -0.65 0.70 0.00 0.00 175.22 175.37 1tru s GLN 78 N -0.60 1.48 -0.43 0.44 -0.21 -0.22 -2.12 119.66 118.01 1tru s GLN 78 Ca 0.09 -0.66 -0.11 0.00 0.02 0.00 0.00 55.36 54.71 1tru s GLN 78 Cb -0.12 -1.43 0.08 0.00 1.00 0.00 0.00 33.01 32.53 1tru s GLN 78 CO 0.02 0.39 0.30 -0.06 -2.12 0.00 0.00 175.29 173.82 1tru s PHE 79 N -0.43 3.31 0.19 0.91 0.40 0.83 -0.41 117.98 122.78 1tru s PHE 79 Ca 0.07 -1.35 0.06 0.00 -0.60 0.00 0.00 56.93 55.11 1tru s PHE 79 Cb -0.07 -3.01 -0.04 0.00 0.51 0.00 0.00 43.02 40.41 1tru s PHE 79 CO -0.01 -0.83 0.13 -0.06 0.70 0.00 0.00 175.22 175.15 1tru s PHE 80 N 1.49 3.09 -0.21 0.36 0.08 0.80 -1.11 117.98 122.48 1tru s PHE 80 Ca 0.03 -0.06 -0.14 0.00 0.12 0.00 0.00 56.93 56.88 1tru s PHE 80 Cb -0.23 -1.46 0.06 0.00 -0.57 0.00 0.00 43.02 40.82 1tru s PHE 80 CO 0.03 0.52 0.52 0.21 -0.10 0.00 0.00 175.22 176.41 1tru s LYS 81 N -3.27 0.55 -0.33 0.44 2.20 -0.49 -2.25 119.74 116.59 1tru s LYS 81 Ca 0.31 0.87 0.00 0.00 -0.36 0.00 0.00 55.97 56.79 1tru s LYS 81 Cb -0.09 0.13 0.00 0.00 -1.51 0.00 0.00 37.83 36.36 1tru s LYS 81 CO 0.23 -0.13 0.00 1.63 -0.36 0.00 0.00 175.35 176.72 1tru n LYS 82 N 3.74 -1.83 -0.78 4.03 5.02 -1.26 0.78 118.16 127.86 1tru n LYS 82 Ca -0.19 0.42 0.00 0.00 -2.02 0.00 0.00 58.31 56.52 1tru n LYS 82 Cb 0.56 -4.27 0.00 0.00 -0.02 0.00 0.00 35.03 31.31 1tru n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1tru n GLY 83 N 0.41 1.07 2.92 0.72 0.00 -1.26 -4.95 105.19 104.10 1tru n GLY 83 Ca -0.03 -0.45 -0.22 0.00 0.00 0.00 0.00 46.02 45.32 1tru n GLY 83 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1tru s GLN 84 N -1.92 1.07 -0.21 1.61 -0.21 0.23 -5.09 119.66 115.14 1tru s GLN 84 Ca 0.00 -0.18 -0.29 0.00 0.02 0.00 0.00 55.36 54.92 1tru s GLN 84 Cb 0.00 -1.03 -0.04 0.00 1.00 0.00 0.00 33.01 32.94 1tru s GLN 84 CO 0.00 -0.08 1.79 0.21 -2.12 0.00 0.00 175.29 175.09 1tru s LYS 85 N 0.97 3.65 -0.08 2.91 2.20 -1.26 -1.40 119.74 126.73 1tru s LYS 85 Ca -0.10 1.80 0.13 0.00 -0.36 0.00 0.00 55.97 57.44 1tru s LYS 85 Cb -0.14 -4.13 0.41 0.00 -1.51 0.00 0.00 37.83 32.45 1tru s LYS 85 CO 0.00 -1.49 1.33 1.33 -0.36 0.00 0.00 175.35 176.17 1tru n VAL 86 N 6.71 1.56 0.00 4.02 0.24 -0.27 -4.97 118.33 125.62 1tru n VAL 86 Ca 0.21 -1.37 0.00 0.00 -2.04 0.00 0.00 64.34 61.14 1tru n VAL 86 Cb 0.45 0.17 0.00 0.00 -1.47 0.00 0.00 33.84 32.99 1tru n VAL 86 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1tru n GLY 87 N 0.10 3.40 3.56 7.63 0.00 -1.18 -4.98 105.19 113.72 1tru n GLY 87 Ca 0.16 -0.79 -0.07 0.00 0.00 0.00 0.00 46.02 45.32 1tru n GLY 87 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1tru s GLU 88 N -2.09 0.56 -0.28 1.61 4.04 -1.26 -0.12 118.70 121.15 1tru s GLU 88 Ca 0.00 -0.12 -0.22 0.00 0.04 0.00 0.00 54.97 54.67 1tru s GLU 88 Cb 0.00 0.26 0.13 0.00 0.02 0.00 0.00 34.13 34.54 1tru s GLU 88 CO 0.00 -0.23 1.00 -0.59 -1.84 0.00 0.00 175.26 173.61 1tru s PHE 89 N -2.33 -0.53 -0.14 4.83 -0.12 -0.90 -4.99 117.98 113.81 1tru s PHE 89 Ca 0.05 1.19 -0.04 0.00 -0.05 0.00 0.00 56.93 58.08 1tru s PHE 89 Cb -0.01 0.37 -0.03 0.00 -0.63 0.00 0.00 43.02 42.72 1tru s PHE 89 CO -0.05 -0.26 -0.01 -1.54 -0.05 0.00 0.00 175.22 173.31 1tru s SER 90 N 0.62 5.07 0.00 1.98 1.04 -1.26 -2.77 113.70 118.38 1tru s SER 90 Ca -0.01 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.41 1tru s SER 90 Cb -0.05 -1.72 0.00 0.00 0.10 0.00 0.00 66.02 64.35 1tru s SER 90 CO -0.09 0.23 0.00 0.61 0.98 0.00 0.00 173.24 174.96 1tru n GLY 91 N 3.14 4.01 2.15 7.32 0.00 -1.21 -4.97 105.19 115.62 1tru n GLY 91 Ca -0.18 -0.67 -0.25 0.00 0.00 0.00 0.00 46.02 44.93 1tru n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1tru n ALA 92 N -1.30 6.94 -3.48 4.61 0.00 -1.26 -4.74 120.51 121.28 1tru n ALA 92 Ca 0.00 -2.64 -0.41 0.00 0.00 0.00 0.00 53.44 50.40 1tru n ALA 92 Cb 0.00 -2.81 -0.03 0.00 0.00 0.00 0.00 19.45 16.61 1tru n ALA 92 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1tru s ASN 93 N 2.05 6.70 0.54 0.00 3.84 -1.26 -4.87 114.94 121.94 1tru s ASN 93 Ca 0.68 -3.63 0.21 0.00 0.21 0.00 0.00 52.86 50.33 1tru s ASN 93 Cb 0.26 -2.07 1.39 0.00 -0.55 0.00 0.00 41.25 40.27 1tru s ASN 93 CO -0.03 -0.25 2.12 0.07 -2.79 0.00 0.00 177.10 176.22 1tru h LYS 94 N 6.40 0.00 0.00 0.43 -0.00 -2.00 0.97 116.57 122.37 1tru h LYS 94 Ca 0.17 0.00 -0.07 0.00 -0.00 0.00 0.00 60.65 60.75 1tru h LYS 94 Cb 0.85 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 33.07 1tru h LYS 94 CO 0.93 0.00 -0.31 0.93 -0.00 0.00 0.00 179.45 181.00 1tru h GLU 95 N 0.00 0.00 -0.43 0.07 5.08 -1.99 -2.75 114.58 114.55 1tru h GLU 95 Ca 0.07 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.28 1tru h GLU 95 Cb 0.28 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1tru h GLU 95 CO -0.00 0.31 -0.29 -0.22 -1.00 0.00 0.00 179.01 177.81 1tru h LYS 96 N 0.00 0.95 -1.00 2.33 3.64 -1.21 -2.94 116.57 118.34 1tru h LYS 96 Ca -0.00 -0.44 0.21 0.00 -1.27 0.00 0.00 60.65 59.14 1tru h LYS 96 Cb 0.62 -0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 32.32 1tru h LYS 96 CO 0.04 1.11 0.62 -0.07 -2.27 0.00 0.00 179.45 178.87 1tru h LEU 97 N 0.80 0.69 0.65 5.20 3.38 -1.42 0.15 115.31 124.76 1tru h LEU 97 Ca 0.09 0.10 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 1tru h LEU 97 Cb 0.87 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.61 1tru h LEU 97 CO 0.08 0.22 -0.31 -0.08 0.09 0.00 0.00 178.44 178.43 1tru h GLU 98 N 0.66 -0.84 -1.00 1.13 4.81 -1.60 0.27 114.58 118.01 1tru h GLU 98 Ca 0.58 0.06 0.12 0.00 -0.13 0.00 0.00 59.36 59.99 1tru h GLU 98 Cb 1.05 0.19 -0.08 0.00 0.63 0.00 0.00 28.75 30.54 1tru h GLU 98 CO -0.36 -0.54 0.63 0.00 -0.73 0.00 0.00 179.01 178.00 1tru h ALA 99 N -1.15 1.53 -0.04 2.92 0.00 -1.38 -0.03 119.26 121.11 1tru h ALA 99 Ca -0.09 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1tru h ALA 99 Cb 0.69 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1tru h ALA 99 CO 0.15 0.23 -0.08 1.15 0.00 0.00 0.00 179.25 180.70 1tru h THR 100 N 0.99 1.43 -0.97 0.00 2.02 -0.68 -2.81 112.91 112.90 1tru h THR 100 Ca 0.49 -1.38 0.07 0.00 0.77 0.00 0.00 66.41 66.36 1tru h THR 100 Cb 0.48 2.25 -0.07 0.00 -1.74 0.00 0.00 68.15 69.07 1tru h THR 100 CO -0.26 0.38 0.62 0.40 0.37 0.00 0.00 175.52 177.03 1tru h ILE 101 N -0.39 1.06 0.00 3.11 2.04 0.08 0.47 117.51 123.89 1tru h ILE 101 Ca 0.00 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.48 1tru h ILE 101 Cb 0.65 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1tru h ILE 101 CO 0.02 0.20 0.00 -3.20 0.00 0.00 0.00 178.15 175.17 1tru n ASN 102 N -4.54 0.00 -0.06 1.72 5.15 -0.07 -2.15 115.26 115.30 1tru n ASN 102 Ca 0.15 -0.43 -0.05 0.00 -0.60 0.00 0.00 54.58 53.65 1tru n ASN 102 Cb 0.19 -0.10 -0.04 0.00 -0.53 0.00 0.00 39.78 39.30 1tru n ASN 102 CO 0.00 0.00 0.00 -0.08 1.40 0.00 0.00 177.26 178.58 1tru h GLU 103 N 0.00 0.00 -0.63 1.20 4.81 0.23 -3.35 114.58 116.83 1tru h GLU 103 Ca 0.00 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.21 1tru h GLU 103 Cb 0.07 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 1tru h GLU 103 CO 0.00 0.30 0.02 1.28 -0.73 0.00 0.00 179.01 179.88 1tru n LEU 104 N -4.71 5.36 0.00 1.64 4.77 -1.19 -5.12 117.00 117.74 1tru n LEU 104 Ca -0.04 -2.72 0.06 0.00 -0.03 0.00 0.00 56.01 53.27 1tru n LEU 104 Cb 0.17 -0.68 0.35 0.00 -2.33 0.00 0.00 43.42 40.93 1tru n LEU 104 CO 0.11 0.61 0.57 0.55 -1.33 0.00 0.00 177.39 177.89