#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 -0.20 1.12 1.01 -1.26 -2.94 120.40 118.25 1tru s VAL 2 Ca 0.00 -1.01 -0.06 0.00 0.00 0.00 0.00 61.98 60.91 1tru s VAL 2 Cb 0.00 -0.92 0.10 0.00 0.00 0.00 0.00 36.38 35.55 1tru s VAL 2 CO 0.00 -0.56 0.40 -0.75 0.00 0.00 0.00 175.10 174.19 1tru s LYS 3 N -2.65 0.31 -0.16 2.72 2.20 -1.13 -5.00 119.74 116.03 1tru s LYS 3 Ca -0.04 0.90 -0.29 0.00 -0.36 0.00 0.00 55.97 56.18 1tru s LYS 3 Cb -0.01 0.13 -0.00 0.00 -1.51 0.00 0.00 37.83 36.44 1tru s LYS 3 CO -0.05 -0.34 0.99 -1.14 -0.36 0.00 0.00 175.35 174.45 1tru s GLN 4 N 2.58 4.35 -0.35 4.03 0.74 -1.26 -2.72 119.66 127.03 1tru s GLN 4 Ca 0.02 1.32 -0.22 0.00 0.05 0.00 0.00 55.36 56.52 1tru s GLN 4 Cb -0.13 -3.58 0.00 0.00 1.10 0.00 0.00 33.01 30.41 1tru s GLN 4 CO -0.13 -0.42 0.72 0.42 -0.55 0.00 0.00 175.29 175.32 1tru s ILE 5 N 2.44 4.82 -0.20 -2.34 -1.09 -1.14 -4.90 121.20 118.78 1tru s ILE 5 Ca 0.45 0.83 0.21 0.00 -2.23 0.00 0.00 60.65 59.91 1tru s ILE 5 Cb -0.17 -4.13 -0.04 0.00 -1.58 0.00 0.00 42.46 36.54 1tru s ILE 5 CO 0.13 -0.33 0.98 -0.62 -1.23 0.00 0.00 174.94 173.86 1tru n GLU 6 N 6.20 0.61 -3.59 2.79 1.02 -1.26 -4.56 120.64 121.85 1tru n GLU 6 Ca 0.01 0.14 -0.10 0.00 -0.02 0.00 0.00 57.16 57.19 1tru n GLU 6 Cb 0.48 -1.82 -0.02 0.00 -0.02 0.00 0.00 31.44 30.06 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 -5.45 -0.44 0.61 1.62 1.04 -1.26 -4.31 113.70 105.51 1tru s SER 7 Ca -0.01 -0.24 0.29 0.00 0.48 0.00 0.00 55.95 56.47 1tru s SER 7 Cb 0.09 0.63 1.60 0.00 0.10 0.00 0.00 66.02 68.44 1tru s SER 7 CO 0.80 -1.08 1.99 0.50 0.98 0.00 0.00 173.24 176.42 1tru h LYS 8 N 2.04 0.00 0.72 4.02 3.64 -1.92 -1.85 116.57 123.21 1tru h LYS 8 Ca -0.29 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.05 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 0.34 0.00 -0.38 1.15 -2.27 0.00 0.00 179.45 178.29 1tru h THR 9 N 0.00 0.23 0.00 1.00 2.02 -2.01 -2.01 112.91 112.14 1tru h THR 9 Ca 0.12 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.29 1tru h THR 9 Cb 0.81 0.23 -0.00 0.00 -1.74 0.00 0.00 68.15 67.45 1tru h THR 9 CO -0.00 0.00 -0.07 0.00 0.37 0.00 0.00 175.52 175.82 1tru h ALA 10 N -0.75 1.25 0.10 6.16 0.00 -1.76 -2.88 119.26 121.38 1tru h ALA 10 Ca -0.10 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1tru h ALA 10 Cb 0.79 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1tru h ALA 10 CO 0.14 0.08 -0.05 0.35 0.00 0.00 0.00 179.25 179.77 1tru h PHE 11 N 0.00 -0.13 0.01 0.00 3.57 -1.00 0.80 116.94 120.19 1tru h PHE 11 Ca -0.00 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 1tru h PHE 11 Cb 0.24 0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.02 1tru h PHE 11 CO 0.00 -0.06 -0.01 1.96 -2.23 0.00 0.00 178.31 177.98 1tru h GLN 12 N -0.17 -0.02 -0.03 1.11 4.20 -1.28 -2.40 115.11 116.53 1tru h GLN 12 Ca -0.01 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.71 1tru h GLN 12 Cb 0.13 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.92 1tru h GLN 12 CO 0.02 0.15 0.03 0.93 -0.67 0.00 0.00 178.83 179.30 1tru h GLU 13 N -0.18 0.00 -0.29 1.46 4.39 -1.47 -1.90 114.58 116.58 1tru h GLU 13 Ca -0.00 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 59.56 1tru h GLU 13 Cb 0.18 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 1tru h GLU 13 CO 0.00 0.00 -0.34 0.00 -1.16 0.00 0.00 179.01 177.51 1tru h ALA 14 N 1.98 0.44 -0.34 3.43 0.00 -0.35 0.38 119.26 124.80 1tru h ALA 14 Ca 0.02 -0.43 -0.12 0.00 0.00 0.00 0.00 54.91 54.38 1tru h ALA 14 Cb 0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1tru h ALA 14 CO -0.00 0.50 -0.26 -0.07 0.00 0.00 0.00 179.25 179.42 1tru h LEU 15 N 0.50 0.82 -0.43 0.00 3.38 -0.99 -0.63 115.31 117.95 1tru h LEU 15 Ca 0.04 -0.44 -0.12 0.00 0.09 0.00 0.00 57.88 57.45 1tru h LEU 15 Cb 0.92 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1tru h LEU 15 CO 0.08 1.09 -0.19 -0.78 0.09 0.00 0.00 178.44 178.73 1tru h ASP 16 N 0.55 0.92 0.75 -0.43 3.58 -1.36 -2.66 116.42 117.77 1tru h ASP 16 Ca 0.06 -0.40 -0.04 0.00 0.42 0.00 0.00 57.03 57.07 1tru h ASP 16 Cb 0.82 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.61 1tru h ASP 16 CO 0.07 1.11 -0.21 0.00 -2.88 0.00 0.00 179.24 177.33 1tru h ALA 17 N 0.84 1.09 -0.14 -0.78 0.00 -0.85 -2.65 119.26 116.76 1tru h ALA 17 Ca 0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1tru h ALA 17 Cb 0.75 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 1tru h ALA 17 CO 0.06 0.26 -0.02 0.00 0.00 0.00 0.00 179.25 179.56 1tru h ALA 18 N 1.79 1.73 -0.01 0.00 0.00 -0.73 -3.48 119.26 118.56 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 0.64 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.37 1tru h ALA 18 CO 0.03 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.90 1tru n GLY 19 N -1.22 1.08 0.50 0.00 0.00 -1.00 -3.27 105.19 101.27 1tru n GLY 19 Ca -0.01 -0.60 0.04 0.00 0.00 0.00 0.00 46.02 45.45 1tru n GLY 19 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1tru n ASP 20 N 7.78 2.71 -4.83 1.61 2.03 -1.26 -3.88 116.55 120.71 1tru n ASP 20 Ca 0.00 -1.99 -0.31 0.00 0.52 0.00 0.00 54.79 53.02 1tru n ASP 20 Cb 0.00 -0.18 0.06 0.00 -0.72 0.00 0.00 41.12 40.28 1tru n ASP 20 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 1tru s LYS 21 N -0.99 2.73 0.83 -0.67 1.02 -1.20 -4.83 119.74 116.62 1tru s LYS 21 Ca 0.18 0.75 -0.12 0.00 0.02 0.00 0.00 55.97 56.81 1tru s LYS 21 Cb 0.09 -1.98 0.09 0.00 -0.52 0.00 0.00 37.83 35.52 1tru s LYS 21 CO 0.12 -1.20 1.15 -1.17 -0.92 0.00 0.00 175.35 173.33 1tru s LEU 22 N -5.55 3.02 -0.31 3.17 0.20 -1.26 -4.57 118.68 113.38 1tru s LEU 22 Ca 0.59 2.13 0.01 0.00 0.69 0.00 0.00 54.13 57.55 1tru s LEU 22 Cb -0.13 -4.56 0.14 0.00 -0.43 0.00 0.00 46.19 41.21 1tru s LEU 22 CO 0.54 -2.59 0.32 -0.69 -0.29 0.00 0.00 176.35 173.64 1tru s VAL 23 N -2.54 -0.40 -0.30 1.68 1.01 -0.90 -3.42 120.40 115.53 1tru s VAL 23 Ca 0.67 -0.62 -0.12 0.00 0.00 0.00 0.00 61.98 61.91 1tru s VAL 23 Cb -0.23 -0.91 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 1tru s VAL 23 CO 0.54 -0.49 0.25 -0.69 0.00 0.00 0.00 175.10 174.70 1tru s VAL 24 N 2.12 5.27 -0.12 2.92 1.01 -1.01 -0.13 120.40 130.47 1tru s VAL 24 Ca 0.11 0.13 -0.13 0.00 0.00 0.00 0.00 61.98 62.09 1tru s VAL 24 Cb -0.14 -3.63 -0.05 0.00 0.00 0.00 0.00 36.38 32.56 1tru s VAL 24 CO -0.25 0.14 0.30 -0.69 0.00 0.00 0.00 175.10 174.60 1tru s VAL 25 N 1.83 5.27 -0.32 2.92 1.01 0.69 -2.32 120.40 129.48 1tru s VAL 25 Ca 0.08 0.58 -0.08 0.00 0.00 0.00 0.00 61.98 62.56 1tru s VAL 25 Cb -0.16 -3.62 0.02 0.00 0.00 0.00 0.00 36.38 32.61 1tru s VAL 25 CO 0.11 0.47 0.11 -0.62 0.00 0.00 0.00 175.10 175.17 1tru s ASP 26 N -0.11 5.30 -0.53 3.32 2.15 -0.56 -1.00 116.67 125.25 1tru s ASP 26 Ca 0.18 -0.84 -0.16 0.00 0.43 0.00 0.00 52.55 52.16 1tru s ASP 26 Cb -0.14 -1.91 0.11 0.00 -0.30 0.00 0.00 42.92 40.68 1tru s ASP 26 CO 0.06 -0.25 0.51 -0.36 -0.17 0.00 0.00 175.17 174.96 1tru s PHE 27 N 1.49 3.20 0.21 -5.34 0.08 0.37 -2.68 117.98 115.32 1tru s PHE 27 Ca 0.02 -1.10 -0.04 0.00 0.12 0.00 0.00 56.93 55.92 1tru s PHE 27 Cb -0.18 -3.64 -0.03 0.00 -0.57 0.00 0.00 43.02 38.60 1tru s PHE 27 CO 0.03 -1.00 0.21 -1.12 -0.10 0.00 0.00 175.22 173.25 1tru s SER 28 N 3.28 0.10 -0.54 1.36 0.01 -1.22 -1.41 113.70 115.29 1tru s SER 28 Ca 0.05 -1.26 -0.17 0.00 1.31 0.00 0.00 55.95 55.88 1tru s SER 28 Cb -0.27 0.42 0.10 0.00 0.21 0.00 0.00 66.02 66.49 1tru s SER 28 CO 0.05 -0.90 0.55 0.00 0.41 0.00 0.00 173.24 173.35 1tru s ALA 29 N -4.12 3.54 0.55 1.44 0.00 -1.26 -3.15 121.76 118.76 1tru s ALA 29 Ca 0.34 -2.29 0.26 0.00 0.00 0.00 0.00 51.96 50.27 1tru s ALA 29 Cb 0.05 -3.32 1.47 0.00 0.00 0.00 0.00 23.12 21.32 1tru s ALA 29 CO 0.10 -2.06 2.01 0.00 0.00 0.00 0.00 175.76 175.81 1tru h THR 30 N 5.87 0.62 0.01 0.00 1.03 -1.95 0.87 112.91 119.37 1tru h THR 30 Ca -0.29 0.00 -0.25 0.00 -0.01 0.00 0.00 66.41 65.86 1tru h THR 30 Cb 1.10 0.75 0.01 0.00 -1.07 0.00 0.00 68.15 68.94 1tru h THR 30 CO 1.02 0.00 -1.01 4.11 -0.01 0.00 0.00 175.52 179.63 1tru h TRP 31 N 0.00 0.82 -2.88 0.00 5.08 -2.02 -3.45 115.95 113.49 1tru h TRP 31 Ca 0.19 -0.45 -0.48 0.00 1.08 0.00 0.00 58.89 59.24 1tru h TRP 31 Cb 0.86 -0.09 0.22 0.00 -3.00 0.00 0.00 29.16 27.16 1tru h TRP 31 CO 0.00 1.28 -0.67 0.00 -1.28 0.00 0.00 178.44 177.78 1tru n GLY 33 N 1.59 -0.38 0.36 0.00 0.00 -1.26 -3.92 105.19 101.57 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 0.05 1.61 0.11 -1.96 0.17 132.00 131.98 1tru h PRO 34 Ca 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.02 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 -0.45 0.00 -0.21 0.00 0.00 178.00 177.34 1tru n LYS 36 N -4.40 0.07 0.19 0.00 4.81 -0.07 -2.17 118.16 116.59 1tru n LYS 36 Ca -0.14 0.39 0.14 0.00 -0.87 0.00 0.00 58.31 57.83 1tru n LYS 36 Cb 0.63 -1.66 0.59 0.00 0.02 0.00 0.00 35.03 34.61 1tru n LYS 36 CO 0.00 0.00 0.00 0.52 1.17 0.00 0.00 177.40 179.09 1tru h MET 37 N 0.00 0.00 -0.90 1.64 2.86 -1.27 -2.73 114.93 114.53 1tru h MET 37 Ca 0.00 0.00 -0.32 0.00 -2.06 0.00 0.00 59.70 57.32 1tru h MET 37 Cb 0.21 0.00 -0.19 0.00 0.06 0.00 0.00 31.60 31.68 1tru h MET 37 CO 0.00 0.00 0.41 -0.89 1.06 0.00 0.00 176.91 177.49 1tru n ILE 38 N -2.54 2.74 0.04 -1.22 5.41 -0.92 -4.35 119.36 118.51 1tru n ILE 38 Ca 0.01 -1.51 0.01 0.00 1.00 0.00 0.00 62.75 62.25 1tru n ILE 38 Cb 0.23 -0.48 -0.08 0.00 -0.71 0.00 0.00 39.64 38.61 1tru n ILE 38 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 1tru n LYS 39 N -0.50 0.62 0.00 0.38 2.85 -1.03 -3.54 118.16 116.93 1tru n LYS 39 Ca 0.44 0.22 0.06 0.00 -1.05 0.00 0.00 58.31 57.97 1tru n LYS 39 Cb 1.38 -1.81 0.35 0.00 -0.65 0.00 0.00 35.03 34.31 1tru n LYS 39 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1tru n PRO 40 N -2.88 0.68 0.00 -1.58 -0.04 -1.26 -2.74 135.00 127.18 1tru n PRO 40 Ca -0.09 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.37 1tru n PRO 40 Cb 0.82 -1.28 -0.00 0.00 -0.04 0.00 0.00 33.50 33.00 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 -0.78 0.00 0.43 0.54 3.72 -1.25 -4.36 117.46 115.76 1tru n PHE 41 Ca 0.09 0.00 -0.17 0.00 -0.05 0.00 0.00 57.45 57.32 1tru n PHE 41 Cb 0.04 -0.00 -0.08 0.00 -0.94 0.00 0.00 39.48 38.50 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 -1.00 0.00 1.38 3.57 -1.69 -1.91 116.94 117.29 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 0.33 0.00 0.00 2.79 0.00 0.00 35.95 39.07 1tru h PHE 42 CO -0.00 -0.62 0.00 1.58 -2.23 0.00 0.00 178.31 177.04 1tru n HIS 43 N -4.91 0.00 0.03 0.41 -0.00 -1.11 -2.08 115.22 107.57 1tru n HIS 43 Ca -0.13 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.02 1tru n HIS 43 Cb 0.43 -0.22 -0.09 0.00 -0.12 0.00 0.00 29.99 29.99 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 0.00 0.26 0.87 -1.30 -3.30 113.55 110.08 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 0.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 1tru h SER 44 CO 0.00 0.73 0.00 0.18 -0.53 0.00 0.00 176.83 177.21 1tru n LEU 45 N -3.01 0.00 -0.13 2.23 4.77 -0.88 -1.82 117.00 118.16 1tru n LEU 45 Ca -0.10 0.50 0.06 0.00 -0.03 0.00 0.00 56.01 56.44 1tru n LEU 45 Cb 0.90 -0.50 0.38 0.00 -2.33 0.00 0.00 43.42 41.87 1tru n LEU 45 CO 0.44 -0.50 1.20 0.28 -1.33 0.00 0.00 177.39 177.48 1tru h SER 46 N 0.00 0.60 0.82 -1.43 0.02 -1.75 0.41 113.55 112.21 1tru h SER 46 Ca 0.00 -0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.82 1tru h SER 46 Cb 0.00 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1tru h SER 46 CO 0.00 0.40 -1.26 -0.33 -1.14 0.00 0.00 176.83 174.50 1tru h GLU 47 N 0.69 0.00 0.00 3.45 5.08 -1.65 -3.37 114.58 118.78 1tru h GLU 47 Ca 0.27 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.55 1tru h GLU 47 Cb 0.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1tru h GLU 47 CO -0.08 0.23 -0.47 -0.22 -1.00 0.00 0.00 179.01 177.47 1tru h LYS 48 N 0.00 0.00 -3.67 2.33 3.64 -1.42 -3.42 116.57 114.04 1tru h LYS 48 Ca -0.12 0.00 -0.72 0.00 -1.27 0.00 0.00 60.65 58.55 1tru h LYS 48 Cb 1.43 0.00 -0.33 0.00 -0.41 0.00 0.00 32.23 32.92 1tru h LYS 48 CO 0.04 0.73 -0.27 0.71 -2.27 0.00 0.00 179.45 178.38 1tru s TYR 49 N -2.17 3.49 -1.24 1.91 2.02 0.14 -4.90 117.35 116.59 1tru s TYR 49 Ca -0.19 -2.54 0.19 0.00 -0.37 0.00 0.00 57.07 54.16 1tru s TYR 49 Cb 0.01 -3.34 0.88 0.00 -0.40 0.00 0.00 41.96 39.11 1tru s TYR 49 CO 0.49 -0.88 1.58 -1.13 -1.57 0.00 0.00 175.55 174.05 1tru n SER 50 N 3.63 0.00 -2.20 2.29 3.41 -1.26 -2.91 113.62 116.58 1tru n SER 50 Ca 0.09 0.23 -0.21 0.00 -0.26 0.00 0.00 58.87 58.71 1tru n SER 50 Cb 0.40 -0.38 0.20 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 -1.38 3.95 -4.03 4.04 5.15 -1.26 -4.46 115.26 117.27 1tru n ASN 51 Ca 0.07 -3.54 -0.21 0.00 -0.60 0.00 0.00 54.58 50.30 1tru n ASN 51 Cb 0.18 -0.82 -0.15 0.00 -0.53 0.00 0.00 39.78 38.45 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 -3.25 0.89 -0.33 3.44 1.01 -1.15 -4.72 120.40 116.30 1tru s VAL 52 Ca 0.57 -0.44 -0.13 0.00 0.00 0.00 0.00 61.98 61.98 1tru s VAL 52 Cb 0.47 -0.78 -0.02 0.00 0.00 0.00 0.00 36.38 36.05 1tru s VAL 52 CO 0.11 0.27 0.27 -0.63 0.00 0.00 0.00 175.10 175.13 1tru s ILE 53 N 0.06 5.25 -0.19 2.22 -1.09 -1.22 -3.05 121.20 123.18 1tru s ILE 53 Ca -0.01 -0.04 -0.05 0.00 -2.23 0.00 0.00 60.65 58.32 1tru s ILE 53 Cb -0.08 -3.71 -0.02 0.00 -1.58 0.00 0.00 42.46 37.06 1tru s ILE 53 CO 0.00 0.02 -0.01 -0.36 -1.23 0.00 0.00 174.94 173.36 1tru s PHE 54 N 1.83 3.03 -0.12 3.97 0.08 -1.15 -2.40 117.98 123.22 1tru s PHE 54 Ca 0.08 -0.44 -0.04 0.00 0.12 0.00 0.00 56.93 56.65 1tru s PHE 54 Cb -0.17 -2.05 -0.03 0.00 -0.57 0.00 0.00 43.02 40.20 1tru s PHE 54 CO 0.11 -0.20 0.02 -0.51 -0.10 0.00 0.00 175.22 174.54 1tru s LEU 55 N 0.84 3.66 -0.33 -0.37 1.02 -0.98 -2.83 118.68 119.69 1tru s LEU 55 Ca 0.00 0.12 -0.03 0.00 0.02 0.00 0.00 54.13 54.24 1tru s LEU 55 Cb -0.14 -1.87 0.06 0.00 0.02 0.00 0.00 46.19 44.25 1tru s LEU 55 CO 0.02 0.30 0.07 -0.70 0.02 0.00 0.00 176.35 176.05 1tru s GLU 56 N -0.40 2.40 -0.18 1.70 2.12 -1.10 -1.49 118.70 121.75 1tru s GLU 56 Ca 0.08 -1.35 -0.05 0.00 0.36 0.00 0.00 54.97 54.01 1tru s GLU 56 Cb -0.12 -3.33 -0.03 0.00 0.26 0.00 0.00 34.13 30.91 1tru s GLU 56 CO 0.02 -0.72 0.01 0.08 -0.54 0.00 0.00 175.26 174.12 1tru s VAL 57 N 1.27 4.24 -0.32 3.70 1.01 -1.09 -2.88 120.40 126.34 1tru s VAL 57 Ca -0.02 -0.22 -0.15 0.00 0.00 0.00 0.00 61.98 61.58 1tru s VAL 57 Cb -0.20 -2.90 -0.02 0.00 0.00 0.00 0.00 36.38 33.26 1tru s VAL 57 CO -0.01 0.46 0.39 -0.62 0.00 0.00 0.00 175.10 175.32 1tru s ASP 58 N 0.58 6.22 0.00 3.32 2.15 -1.26 -3.37 116.67 124.31 1tru s ASP 58 Ca 0.00 -0.00 0.02 0.00 0.43 0.00 0.00 52.55 53.00 1tru s ASP 58 Cb -0.14 -2.21 0.12 0.00 -0.30 0.00 0.00 42.92 40.40 1tru s ASP 58 CO 0.02 -0.30 0.41 1.33 -0.17 0.00 0.00 175.17 176.46 1tru n VAL 59 N 5.22 0.00 -0.05 1.11 0.24 -1.19 -0.95 118.33 122.71 1tru n VAL 59 Ca -0.08 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.15 1tru n VAL 59 Cb 0.50 -0.59 -0.04 0.00 -1.47 0.00 0.00 33.84 32.23 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 -0.68 3.20 0.01 -1.34 9.92 -1.26 -4.35 116.55 122.04 1tru n ASP 60 Ca 0.02 -0.05 -0.22 0.00 -0.53 0.00 0.00 54.79 54.01 1tru n ASP 60 Cb 0.01 -0.15 -0.14 0.00 -0.64 0.00 0.00 41.12 40.19 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 -0.01 0.40 -1.96 -2.24 3.58 -1.82 -3.37 116.42 111.00 1tru h ASP 61 Ca -0.21 -0.86 -0.75 0.00 0.42 0.00 0.00 57.03 55.63 1tru h ASP 61 Cb 1.33 -0.13 -0.29 0.00 1.72 0.00 0.00 39.33 41.96 1tru h ASP 61 CO -0.04 1.67 0.84 0.00 -2.88 0.00 0.00 179.24 178.83 1tru n ALA 62 N -2.98 6.32 0.08 -0.78 0.00 -0.13 -4.71 120.51 118.30 1tru n ALA 62 Ca -0.26 -4.18 0.05 0.00 0.00 0.00 0.00 53.44 49.05 1tru n ALA 62 Cb 0.93 -1.83 0.27 0.00 0.00 0.00 0.00 19.45 18.82 1tru n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1tru n GLN 63 N -0.50 0.06 -0.04 0.00 -0.00 -1.26 -1.03 117.38 114.61 1tru n GLN 63 Ca 0.52 0.53 -0.16 0.00 -0.00 0.00 0.00 57.00 57.89 1tru n GLN 63 Cb 0.28 -1.78 -0.07 0.00 -0.00 0.00 0.00 30.24 28.67 1tru n GLN 63 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.06 177.44 1tru h ASP 64 N 0.00 0.85 0.45 2.61 2.03 -1.93 -2.17 116.42 118.27 1tru h ASP 64 Ca 0.00 -0.60 -0.18 0.00 -0.73 0.00 0.00 57.03 55.52 1tru h ASP 64 Cb 0.14 -0.25 -0.01 0.00 -0.83 0.00 0.00 39.33 38.39 1tru h ASP 64 CO 0.00 1.30 -0.77 0.58 -1.03 0.00 0.00 179.24 179.32 1tru h VAL 65 N 0.44 1.44 -0.01 4.15 2.07 -1.46 -3.00 116.25 119.88 1tru h VAL 65 Ca -0.03 -2.34 -0.07 0.00 0.82 0.00 0.00 66.70 65.08 1tru h VAL 65 Cb 1.24 2.26 -0.01 0.00 -1.52 0.00 0.00 31.29 33.27 1tru h VAL 65 CO 0.13 0.69 -0.35 0.00 0.02 0.00 0.00 177.57 178.06 1tru h ALA 66 N 1.03 1.41 0.47 1.67 0.00 -1.46 0.34 119.26 122.72 1tru h ALA 66 Ca -0.03 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1tru h ALA 66 Cb 1.35 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1tru h ALA 66 CO 0.12 0.45 -0.23 1.03 0.00 0.00 0.00 179.25 180.62 1tru h SER 67 N 0.01 -0.54 -0.29 0.00 0.87 -1.25 -1.62 113.55 110.72 1tru h SER 67 Ca -0.00 -0.02 -0.03 0.00 -1.23 0.00 0.00 61.79 60.51 1tru h SER 67 Cb 0.63 0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.71 1tru h SER 67 CO 0.05 -0.12 0.10 -0.08 -0.53 0.00 0.00 176.83 176.25 1tru h GLU 68 N -1.14 0.53 0.00 2.24 4.22 -1.53 0.42 114.58 119.32 1tru h GLU 68 Ca -0.06 -0.08 0.00 0.00 0.08 0.00 0.00 59.36 59.30 1tru h GLU 68 Cb 0.52 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1tru h GLU 68 CO 0.11 0.48 0.00 0.00 -2.18 0.00 0.00 179.01 177.41 1tru n ALA 69 N -2.48 1.86 -4.11 2.92 0.00 0.11 -4.87 120.51 113.94 1tru n ALA 69 Ca 0.02 -0.03 -0.33 0.00 0.00 0.00 0.00 53.44 53.10 1tru n ALA 69 Cb 0.17 -1.34 -0.01 0.00 0.00 0.00 0.00 19.45 18.27 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 -1.72 -3.72 -2.82 0.00 4.07 0.14 -4.86 120.64 111.72 1tru n GLU 70 Ca 0.04 0.43 -0.43 0.00 -0.06 0.00 0.00 57.16 57.14 1tru n GLU 70 Cb 0.24 -5.10 -0.04 0.00 -0.06 0.00 0.00 31.44 26.48 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 -3.40 4.38 -0.18 6.31 1.01 -1.10 -4.84 120.40 122.58 1tru s VAL 71 Ca 0.60 0.38 0.16 0.00 0.00 0.00 0.00 61.98 63.12 1tru s VAL 71 Cb -0.32 -4.54 0.40 0.00 0.00 0.00 0.00 36.38 31.92 1tru s VAL 71 CO 0.90 -1.09 1.28 0.29 0.00 0.00 0.00 175.10 176.48 1tru n LYS 72 N 7.48 1.85 -3.26 2.72 4.76 -1.26 -4.85 118.16 125.60 1tru n LYS 72 Ca 0.03 -2.84 -0.11 0.00 -2.87 0.00 0.00 58.31 52.51 1tru n LYS 72 Cb 0.48 -1.66 -0.05 0.00 -1.84 0.00 0.00 35.03 31.96 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 -2.97 -1.00 0.23 7.82 0.00 -1.26 -5.14 121.76 119.44 1tru s ALA 73 Ca 0.37 -0.71 -0.02 0.00 0.00 0.00 0.00 51.96 51.60 1tru s ALA 73 Cb 0.33 -2.28 -0.05 0.00 0.00 0.00 0.00 23.12 21.12 1tru s ALA 73 CO 0.03 -2.17 0.45 0.95 0.00 0.00 0.00 175.76 175.02 1tru s THR 74 N 1.38 5.14 0.46 0.00 -4.23 -1.26 -4.05 115.64 113.07 1tru s THR 74 Ca 0.19 -0.20 -0.21 0.00 -1.18 0.00 0.00 61.69 60.30 1tru s THR 74 Cb -0.10 -3.73 -0.10 0.00 1.34 0.00 0.00 72.50 69.92 1tru s THR 74 CO -0.05 -0.22 1.00 -2.16 -0.54 0.00 0.00 174.62 172.64 1tru s PRO 75 N -3.39 4.01 -0.04 3.99 0.04 -1.26 -5.02 135.00 133.34 1tru s PRO 75 Ca 0.41 1.24 -0.01 0.00 0.04 0.00 0.00 61.00 62.68 1tru s PRO 75 Cb -0.11 -2.14 0.03 0.00 0.04 0.00 0.00 34.50 32.32 1tru s PRO 75 CO 0.29 -0.23 0.03 0.99 0.04 0.00 0.00 177.00 178.12 1tru s THR 76 N -2.07 0.03 -0.13 1.26 2.01 -0.50 -3.43 115.64 112.80 1tru s THR 76 Ca 0.65 0.26 -0.04 0.00 0.31 0.00 0.00 61.69 62.87 1tru s THR 76 Cb -0.13 -0.21 -0.03 0.00 0.01 0.00 0.00 72.50 72.14 1tru s THR 76 CO 0.17 0.16 0.02 -0.36 -0.69 0.00 0.00 174.62 173.92 1tru s PHE 77 N 1.63 3.20 0.01 4.92 0.40 -1.11 -0.48 117.98 126.55 1tru s PHE 77 Ca -0.02 0.09 0.07 0.00 -0.60 0.00 0.00 56.93 56.48 1tru s PHE 77 Cb -0.13 -1.92 -0.02 0.00 0.51 0.00 0.00 43.02 41.46 1tru s PHE 77 CO -0.03 0.30 -0.23 -0.65 0.70 0.00 0.00 175.22 175.31 1tru s GLN 78 N -0.28 1.69 -0.41 0.44 -0.21 -0.17 -2.00 119.66 118.72 1tru s GLN 78 Ca 0.07 -0.90 -0.09 0.00 0.02 0.00 0.00 55.36 54.46 1tru s GLN 78 Cb -0.12 -1.72 0.07 0.00 1.00 0.00 0.00 33.01 32.24 1tru s GLN 78 CO 0.02 0.46 0.25 -0.06 -2.12 0.00 0.00 175.29 173.84 1tru s PHE 79 N -0.65 3.32 0.20 0.91 0.40 0.72 -0.22 117.98 122.67 1tru s PHE 79 Ca 0.09 -1.45 0.06 0.00 -0.60 0.00 0.00 56.93 55.03 1tru s PHE 79 Cb -0.09 -2.88 -0.04 0.00 0.51 0.00 0.00 43.02 40.52 1tru s PHE 79 CO 0.00 -0.82 0.13 -0.06 0.70 0.00 0.00 175.22 175.17 1tru s PHE 80 N 1.44 3.06 -0.20 0.36 0.08 0.82 -1.02 117.98 122.51 1tru s PHE 80 Ca 0.03 -0.08 -0.12 0.00 0.12 0.00 0.00 56.93 56.87 1tru s PHE 80 Cb -0.22 -1.43 0.06 0.00 -0.57 0.00 0.00 43.02 40.86 1tru s PHE 80 CO 0.03 0.53 0.50 0.21 -0.10 0.00 0.00 175.22 176.39 1tru s LYS 81 N -3.39 0.51 -0.47 0.44 2.20 -0.35 -2.12 119.74 116.56 1tru s LYS 81 Ca 0.31 0.91 0.00 0.00 -0.36 0.00 0.00 55.97 56.83 1tru s LYS 81 Cb -0.09 0.05 0.00 0.00 -1.51 0.00 0.00 37.83 36.29 1tru s LYS 81 CO 0.23 -0.15 0.00 1.63 -0.36 0.00 0.00 175.35 176.70 1tru n LYS 82 N 4.14 -1.75 -0.77 4.03 5.02 -1.25 0.83 118.16 128.41 1tru n LYS 82 Ca -0.21 0.46 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 1tru n LYS 82 Cb 0.56 -4.35 0.00 0.00 -0.02 0.00 0.00 35.03 31.22 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 0.31 1.14 2.90 0.72 0.00 -1.26 -4.96 105.19 104.04 1tru n GLY 83 Ca -0.04 -0.42 -0.22 0.00 0.00 0.00 0.00 46.02 45.33 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 -1.95 1.09 -0.17 1.61 -0.21 0.24 -5.10 119.66 115.19 1tru s GLN 84 Ca 0.00 -0.16 -0.29 0.00 0.02 0.00 0.00 55.36 54.93 1tru s GLN 84 Cb 0.00 -1.10 -0.04 0.00 1.00 0.00 0.00 33.01 32.87 1tru s GLN 84 CO 0.00 -0.12 1.74 0.21 -2.12 0.00 0.00 175.29 175.00 1tru s LYS 85 N 1.14 3.80 -0.02 2.91 2.20 -1.26 -1.21 119.74 127.29 1tru s LYS 85 Ca -0.07 1.89 0.10 0.00 -0.36 0.00 0.00 55.97 57.53 1tru s LYS 85 Cb -0.14 -4.09 0.28 0.00 -1.51 0.00 0.00 37.83 32.37 1tru s LYS 85 CO -0.01 -1.31 1.23 1.33 -0.36 0.00 0.00 175.35 176.23 1tru n VAL 86 N 6.37 1.16 0.00 4.02 0.24 -0.19 -4.97 118.33 124.96 1tru n VAL 86 Ca 0.20 -1.12 0.00 0.00 -2.04 0.00 0.00 64.34 61.38 1tru n VAL 86 Cb 0.44 0.40 0.00 0.00 -1.47 0.00 0.00 33.84 33.22 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 0.20 2.95 3.57 7.63 0.00 -1.18 -4.98 105.19 113.38 1tru n GLY 87 Ca 0.11 -0.81 -0.07 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.00 0.49 -0.28 1.61 -1.05 -1.26 -0.20 118.70 116.01 1tru s GLU 88 Ca 0.00 -0.05 -0.20 0.00 -0.15 0.00 0.00 54.97 54.57 1tru s GLU 88 Cb 0.00 0.23 0.12 0.00 -0.44 0.00 0.00 34.13 34.04 1tru s GLU 88 CO 0.00 -0.19 0.93 -0.59 0.95 0.00 0.00 175.26 176.37 1tru s PHE 89 N -1.93 -0.62 -0.14 4.83 -0.12 -0.85 -4.99 117.98 114.15 1tru s PHE 89 Ca 0.04 1.36 -0.04 0.00 -0.05 0.00 0.00 56.93 58.25 1tru s PHE 89 Cb -0.01 0.39 -0.03 0.00 -0.63 0.00 0.00 43.02 42.74 1tru s PHE 89 CO -0.04 -0.31 -0.02 -1.54 -0.05 0.00 0.00 175.22 173.27 1tru s SER 90 N 0.86 5.01 0.00 1.98 1.04 -1.26 -2.76 113.70 118.56 1tru s SER 90 Ca -0.03 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 56.36 1tru s SER 90 Cb -0.04 -1.73 0.00 0.00 0.10 0.00 0.00 66.02 64.35 1tru s SER 90 CO -0.11 0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.94 1tru n GLY 91 N 3.22 3.85 2.11 7.32 0.00 -1.22 -4.97 105.19 115.50 1tru n GLY 91 Ca -0.17 -0.65 -0.21 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.21 6.74 -3.41 4.61 0.00 -1.26 -4.73 120.51 121.26 1tru n ALA 92 Ca 0.00 -2.40 -0.42 0.00 0.00 0.00 0.00 53.44 50.62 1tru n ALA 92 Cb 0.00 -2.63 -0.02 0.00 0.00 0.00 0.00 19.45 16.80 1tru n ALA 92 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1tru n ASN 93 N 2.75 5.16 0.11 0.00 4.05 -1.26 -4.86 115.26 121.20 1tru n ASN 93 Ca 0.54 -3.10 0.11 0.00 0.45 0.00 0.00 54.58 52.58 1tru n ASN 93 Cb 0.70 -1.26 0.60 0.00 1.23 0.00 0.00 39.78 41.04 1tru n ASN 93 CO 0.00 0.00 0.00 0.07 -3.05 0.00 0.00 177.26 174.28 1tru h LYS 94 N 6.31 0.14 0.00 1.20 2.10 -1.99 0.65 116.57 124.97 1tru h LYS 94 Ca 0.18 -0.01 -0.06 0.00 -2.00 0.00 0.00 60.65 58.76 1tru h LYS 94 Cb 0.83 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.12 1tru h LYS 94 CO 0.99 0.09 -0.27 0.93 -2.00 0.00 0.00 179.45 179.19 1tru h GLU 95 N 0.14 0.00 -0.39 0.07 3.07 -1.99 -2.83 114.58 112.65 1tru h GLU 95 Ca 0.12 0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.85 1tru h GLU 95 Cb 0.30 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.19 1tru h GLU 95 CO -0.02 0.27 -0.28 -0.22 -1.40 0.00 0.00 179.01 177.36 1tru h LYS 96 N 0.00 0.84 -1.00 2.33 3.64 -1.27 -2.91 116.57 118.21 1tru h LYS 96 Ca -0.00 -0.38 0.24 0.00 -1.27 0.00 0.00 60.65 59.23 1tru h LYS 96 Cb 0.62 -0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 32.33 1tru h LYS 96 CO 0.03 1.02 0.64 -0.07 -2.27 0.00 0.00 179.45 178.80 1tru h LEU 97 N 0.72 0.50 0.54 5.20 3.38 -1.47 0.12 115.31 124.30 1tru h LEU 97 Ca 0.08 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 1tru h LEU 97 Cb 0.83 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.58 1tru h LEU 97 CO 0.07 0.14 -0.26 -0.08 0.09 0.00 0.00 178.44 178.40 1tru h GLU 98 N 0.46 -0.70 -0.85 1.13 4.22 -1.63 0.19 114.58 117.40 1tru h GLU 98 Ca 0.56 0.05 0.13 0.00 0.08 0.00 0.00 59.36 60.18 1tru h GLU 98 Cb 1.31 0.16 -0.06 0.00 0.50 0.00 0.00 28.75 30.66 1tru h GLU 98 CO -0.28 -0.47 0.55 0.00 -2.18 0.00 0.00 179.01 176.63 1tru h ALA 99 N -1.42 1.84 0.05 2.92 0.00 -1.46 -0.54 119.26 120.65 1tru h ALA 99 Ca -0.07 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 1tru h ALA 99 Cb 0.56 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1tru h ALA 99 CO 0.12 -0.06 -0.02 1.15 0.00 0.00 0.00 179.25 180.44 1tru h THR 100 N 0.67 1.29 -0.78 0.00 2.02 -0.74 -2.70 112.91 112.67 1tru h THR 100 Ca 0.42 -1.27 0.07 0.00 0.77 0.00 0.00 66.41 66.40 1tru h THR 100 Cb 0.66 2.10 -0.06 0.00 -1.74 0.00 0.00 68.15 69.10 1tru h THR 100 CO -0.18 0.31 0.46 0.40 0.37 0.00 0.00 175.52 176.88 1tru h ILE 101 N -0.65 0.97 0.00 3.11 2.04 -0.11 0.43 117.51 123.31 1tru h ILE 101 Ca -0.01 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1tru h ILE 101 Cb 0.56 0.09 0.00 0.00 -0.74 0.00 0.00 36.82 36.73 1tru h ILE 101 CO 0.01 0.15 0.00 -3.20 0.00 0.00 0.00 178.15 175.11 1tru n ASN 102 N -4.72 0.00 -0.06 1.72 5.15 -0.26 -2.41 115.26 114.69 1tru n ASN 102 Ca 0.11 -0.71 -0.03 0.00 -0.60 0.00 0.00 54.58 53.36 1tru n ASN 102 Cb 0.21 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.43 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 0.21 -3.36 114.58 116.82 1tru h GLU 103 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 1tru h GLU 103 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1tru h GLU 103 CO 0.00 0.17 0.00 1.28 -0.73 0.00 0.00 179.01 179.73 1tru n LEU 104 N -4.73 5.23 0.00 1.64 4.77 -1.20 -5.12 117.00 117.60 1tru n LEU 104 Ca -0.03 -2.65 0.06 0.00 -0.03 0.00 0.00 56.01 53.35 1tru n LEU 104 Cb 0.12 -0.66 0.35 0.00 -2.33 0.00 0.00 43.42 40.89 1tru n LEU 104 CO 0.07 0.60 0.56 0.55 -1.33 0.00 0.00 177.39 177.84