#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 0.16 -0.21 1.12 1.01 -1.26 -3.46 120.40 117.76 1tru s VAL 2 Ca 0.00 -1.39 -0.04 0.00 0.00 0.00 0.00 61.98 60.55 1tru s VAL 2 Cb 0.00 -1.43 0.11 0.00 0.00 0.00 0.00 36.38 35.06 1tru s VAL 2 CO 0.00 -0.73 0.37 -0.75 0.00 0.00 0.00 175.10 173.99 1tru s LYS 3 N -3.89 0.31 -0.11 2.72 2.20 -1.02 -4.99 119.74 114.96 1tru s LYS 3 Ca 0.07 0.71 -0.28 0.00 -0.36 0.00 0.00 55.97 56.10 1tru s LYS 3 Cb 0.06 -0.19 -0.01 0.00 -1.51 0.00 0.00 37.83 36.17 1tru s LYS 3 CO -0.10 -0.47 0.96 -1.14 -0.36 0.00 0.00 175.35 174.24 1tru s GLN 4 N 2.54 4.40 -0.47 4.03 0.74 -1.26 -2.68 119.66 126.96 1tru s GLN 4 Ca 0.06 1.30 -0.22 0.00 0.05 0.00 0.00 55.36 56.55 1tru s GLN 4 Cb -0.14 -3.54 0.03 0.00 1.10 0.00 0.00 33.01 30.46 1tru s GLN 4 CO -0.14 -0.29 0.75 0.42 -0.55 0.00 0.00 175.29 175.48 1tru s ILE 5 N 1.96 4.68 -0.71 -2.34 -1.09 -1.19 -4.88 121.20 117.63 1tru s ILE 5 Ca 0.46 0.18 0.24 0.00 -2.23 0.00 0.00 60.65 59.30 1tru s ILE 5 Cb -0.18 -4.33 -0.00 0.00 -1.58 0.00 0.00 42.46 36.37 1tru s ILE 5 CO 0.17 -0.77 1.27 -0.62 -1.23 0.00 0.00 174.94 173.76 1tru n GLU 6 N 6.65 0.23 -3.44 2.79 4.71 -1.26 -4.60 120.64 125.71 1tru n GLU 6 Ca -0.00 0.04 -0.12 0.00 -0.01 0.00 0.00 57.16 57.07 1tru n GLU 6 Cb 0.48 -1.62 -0.02 0.00 -1.01 0.00 0.00 31.44 29.26 1tru n GLU 6 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 177.13 175.68 1tru s SER 7 N -3.88 -0.55 0.58 1.62 1.04 -1.26 -4.49 113.70 106.76 1tru s SER 7 Ca 0.07 0.01 0.28 0.00 0.48 0.00 0.00 55.95 56.79 1tru s SER 7 Cb 0.15 0.59 1.51 0.00 0.10 0.00 0.00 66.02 68.36 1tru s SER 7 CO 0.74 -0.94 1.96 0.50 0.98 0.00 0.00 173.24 176.48 1tru h LYS 8 N 2.09 0.00 0.44 4.02 3.64 -1.92 -1.49 116.57 123.34 1tru h LYS 8 Ca -0.34 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.03 1tru h LYS 8 Cb 1.30 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.12 1tru h LYS 8 CO 0.39 0.00 -0.24 1.15 -2.27 0.00 0.00 179.45 178.48 1tru h THR 9 N 0.00 0.50 0.00 1.00 2.02 -2.00 -1.68 112.91 112.75 1tru h THR 9 Ca 0.19 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.36 1tru h THR 9 Cb 0.99 0.50 -0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1tru h THR 9 CO -0.00 0.00 -0.05 0.00 0.37 0.00 0.00 175.52 175.83 1tru h ALA 10 N -0.09 1.28 0.67 6.16 0.00 -1.69 -2.62 119.26 122.98 1tru h ALA 10 Ca -0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1tru h ALA 10 Cb 0.50 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.29 1tru h ALA 10 CO 0.07 0.07 -0.32 0.35 0.00 0.00 0.00 179.25 179.42 1tru h PHE 11 N 0.00 -0.84 -0.00 0.00 3.57 -1.02 0.29 116.94 118.94 1tru h PHE 11 Ca -0.00 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.48 1tru h PHE 11 Cb 0.19 0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.21 1tru h PHE 11 CO 0.00 -0.49 0.00 1.96 -2.23 0.00 0.00 178.31 177.55 1tru h GLN 12 N -1.00 0.01 -0.53 1.11 1.08 -1.33 -1.75 115.11 112.69 1tru h GLN 12 Ca -0.09 -0.00 0.04 0.00 -1.45 0.00 0.00 58.65 57.14 1tru h GLN 12 Cb 0.72 -0.00 -0.03 0.00 -0.05 0.00 0.00 27.48 28.12 1tru h GLN 12 CO 0.15 0.19 0.35 0.93 -0.95 0.00 0.00 178.83 179.51 1tru h GLU 13 N -0.18 0.57 -0.23 1.46 3.07 -1.48 -1.21 114.58 116.56 1tru h GLU 13 Ca 0.00 -0.03 -0.14 0.00 -0.50 0.00 0.00 59.36 58.68 1tru h GLU 13 Cb 0.19 -0.13 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 1tru h GLU 13 CO -0.00 0.37 -0.45 0.00 -1.40 0.00 0.00 179.01 177.53 1tru h ALA 14 N 1.70 0.78 -0.12 3.43 0.00 -0.09 -0.15 119.26 124.81 1tru h ALA 14 Ca 0.22 -0.46 -0.05 0.00 0.00 0.00 0.00 54.91 54.61 1tru h ALA 14 Cb 0.14 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 1tru h ALA 14 CO -0.06 0.66 -0.14 -0.07 0.00 0.00 0.00 179.25 179.64 1tru h LEU 15 N 0.47 0.33 -0.57 0.00 3.38 -0.37 -0.92 115.31 117.63 1tru h LEU 15 Ca 0.03 -0.50 -0.12 0.00 0.09 0.00 0.00 57.88 57.38 1tru h LEU 15 Cb 0.97 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.61 1tru h LEU 15 CO 0.09 0.76 -0.17 -0.78 0.09 0.00 0.00 178.44 178.43 1tru h ASP 16 N -0.10 0.98 0.81 -0.43 1.82 -1.26 -2.48 116.42 115.76 1tru h ASP 16 Ca 0.02 -0.35 -0.03 0.00 -0.39 0.00 0.00 57.03 56.28 1tru h ASP 16 Cb 0.68 -0.27 -0.00 0.00 0.68 0.00 0.00 39.33 40.41 1tru h ASP 16 CO 0.03 1.13 -0.17 0.00 -1.61 0.00 0.00 179.24 178.62 1tru h ALA 17 N 0.95 1.07 0.00 -0.78 0.00 -1.01 -2.61 119.26 116.88 1tru h ALA 17 Ca 0.12 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1tru h ALA 17 Cb 0.73 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 1tru h ALA 17 CO 0.06 0.21 -0.11 0.00 0.00 0.00 0.00 179.25 179.40 1tru h ALA 18 N 1.83 1.74 0.00 0.00 0.00 -0.67 -3.48 119.26 118.69 1tru h ALA 18 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1tru h ALA 18 Cb 0.62 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1tru h ALA 18 CO 0.02 0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.82 1tru n GLY 19 N -1.16 0.63 0.53 0.00 0.00 -0.99 -3.42 105.19 100.78 1tru n GLY 19 Ca -0.03 -0.70 0.05 0.00 0.00 0.00 0.00 46.02 45.34 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 6.92 2.83 -4.84 1.61 8.00 -1.26 -3.91 116.55 125.90 1tru n ASP 20 Ca 0.00 -2.13 -0.30 0.00 0.71 0.00 0.00 54.79 53.07 1tru n ASP 20 Cb 0.00 -0.22 0.06 0.00 -0.02 0.00 0.00 41.12 40.94 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 -1.23 2.63 0.84 -1.24 1.02 -1.22 -4.80 119.74 115.75 1tru s LYS 21 Ca 0.21 0.67 -0.11 0.00 0.02 0.00 0.00 55.97 56.76 1tru s LYS 21 Cb 0.12 -1.98 0.10 0.00 -0.52 0.00 0.00 37.83 35.55 1tru s LYS 21 CO 0.12 -1.24 1.14 -0.51 -0.92 0.00 0.00 175.35 173.93 1tru s LEU 22 N -5.55 2.99 -0.33 3.17 1.43 -1.26 -4.57 118.68 114.56 1tru s LEU 22 Ca 0.59 2.11 0.01 0.00 -1.03 0.00 0.00 54.13 55.82 1tru s LEU 22 Cb -0.13 -4.56 0.15 0.00 0.03 0.00 0.00 46.19 41.68 1tru s LEU 22 CO 0.54 -2.64 0.35 -0.69 0.23 0.00 0.00 176.35 174.14 1tru s VAL 23 N -2.60 -0.39 -0.32 -1.59 1.01 -0.88 -3.39 120.40 112.24 1tru s VAL 23 Ca 0.66 -0.71 -0.13 0.00 0.00 0.00 0.00 61.98 61.80 1tru s VAL 23 Cb -0.22 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 1tru s VAL 23 CO 0.55 -0.51 0.27 -0.69 0.00 0.00 0.00 175.10 174.73 1tru s VAL 24 N 1.94 5.25 -0.09 2.92 1.01 -1.00 -0.38 120.40 130.04 1tru s VAL 24 Ca 0.13 0.02 -0.13 0.00 0.00 0.00 0.00 61.98 62.01 1tru s VAL 24 Cb -0.14 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.49 1tru s VAL 24 CO -0.19 0.05 0.31 -0.69 0.00 0.00 0.00 175.10 174.58 1tru s VAL 25 N 1.84 5.25 -0.30 2.92 1.01 0.21 -2.41 120.40 128.92 1tru s VAL 25 Ca 0.09 0.59 -0.06 0.00 0.00 0.00 0.00 61.98 62.59 1tru s VAL 25 Cb -0.17 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.62 1tru s VAL 25 CO 0.11 0.50 0.07 -0.62 0.00 0.00 0.00 175.10 175.17 1tru s ASP 26 N -0.39 5.10 -0.54 3.32 2.15 -0.55 -1.22 116.67 124.52 1tru s ASP 26 Ca 0.19 -0.82 -0.16 0.00 0.43 0.00 0.00 52.55 52.18 1tru s ASP 26 Cb -0.14 -1.86 0.12 0.00 -0.30 0.00 0.00 42.92 40.75 1tru s ASP 26 CO 0.07 -0.22 0.51 -0.36 -0.17 0.00 0.00 175.17 175.01 1tru s PHE 27 N 1.46 3.23 0.19 -5.34 0.08 0.49 -2.59 117.98 115.50 1tru s PHE 27 Ca 0.01 -1.24 -0.04 0.00 0.12 0.00 0.00 56.93 55.79 1tru s PHE 27 Cb -0.18 -3.79 -0.03 0.00 -0.57 0.00 0.00 43.02 38.45 1tru s PHE 27 CO 0.02 -1.03 0.19 -1.54 -0.10 0.00 0.00 175.22 172.75 1tru s SER 28 N 3.55 0.13 -0.58 1.36 1.04 -1.20 -1.58 113.70 116.42 1tru s SER 28 Ca 0.04 -1.25 -0.18 0.00 0.48 0.00 0.00 55.95 55.04 1tru s SER 28 Cb -0.29 0.40 0.11 0.00 0.10 0.00 0.00 66.02 66.34 1tru s SER 28 CO 0.03 -0.88 0.64 0.00 0.98 0.00 0.00 173.24 174.02 1tru s ALA 29 N -4.11 3.48 0.55 5.32 0.00 -1.26 -3.12 121.76 122.62 1tru s ALA 29 Ca 0.32 -2.31 0.26 0.00 0.00 0.00 0.00 51.96 50.24 1tru s ALA 29 Cb 0.06 -3.45 1.46 0.00 0.00 0.00 0.00 23.12 21.18 1tru s ALA 29 CO 0.09 -2.25 2.01 0.00 0.00 0.00 0.00 175.76 175.61 1tru h THR 30 N 5.91 0.64 -0.01 0.00 1.03 -1.95 0.11 112.91 118.65 1tru h THR 30 Ca -0.30 0.00 -0.23 0.00 -0.01 0.00 0.00 66.41 65.87 1tru h THR 30 Cb 1.09 0.75 0.01 0.00 -1.07 0.00 0.00 68.15 68.93 1tru h THR 30 CO 1.08 0.00 -0.95 4.11 -0.01 0.00 0.00 175.52 179.75 1tru h TRP 31 N 0.00 0.74 -3.18 0.00 5.08 -2.02 -3.45 115.95 113.11 1tru h TRP 31 Ca 0.20 -0.39 -0.47 0.00 1.08 0.00 0.00 58.89 59.31 1tru h TRP 31 Cb 0.88 -0.09 0.22 0.00 -3.00 0.00 0.00 29.16 27.18 1tru h TRP 31 CO 0.00 1.22 -0.35 0.00 -1.28 0.00 0.00 178.44 178.03 1tru n GLY 33 N 1.23 -0.38 0.36 0.00 0.00 -1.26 -3.85 105.19 101.30 1tru n GLY 33 Ca 0.04 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.23 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 0.00 1.61 0.11 -1.96 -0.02 132.00 131.74 1tru h PRO 34 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 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 -0.15 0.00 -0.21 0.00 0.00 178.00 177.64 1tru n LYS 36 N -4.61 0.15 0.26 0.00 4.81 -0.26 -2.24 118.16 116.28 1tru n LYS 36 Ca -0.12 0.18 0.15 0.00 -0.87 0.00 0.00 58.31 57.66 1tru n LYS 36 Cb 0.45 -1.50 0.67 0.00 0.02 0.00 0.00 35.03 34.67 1tru n LYS 36 CO 0.00 0.00 0.00 1.98 1.17 0.00 0.00 177.40 180.55 1tru h MET 37 N 0.00 0.00 -1.01 1.64 4.05 -1.08 -2.76 114.93 115.76 1tru h MET 37 Ca 0.00 0.00 -0.41 0.00 -0.28 0.00 0.00 59.70 59.01 1tru h MET 37 Cb 0.09 0.00 -0.24 0.00 -0.80 0.00 0.00 31.60 30.66 1tru h MET 37 CO 0.00 0.09 0.52 -0.89 0.23 0.00 0.00 176.91 176.85 1tru n ILE 38 N -3.26 2.73 0.03 1.77 5.41 -0.95 -4.32 119.36 120.77 1tru n ILE 38 Ca -0.00 -1.52 -0.00 0.00 1.00 0.00 0.00 62.75 62.22 1tru n ILE 38 Cb 0.31 -0.63 -0.08 0.00 -0.71 0.00 0.00 39.64 38.53 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 0.83 0.00 0.00 0.38 2.10 -1.72 -3.29 116.57 114.87 1tru h LYS 39 Ca 0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.14 1tru h LYS 39 Cb 2.35 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.68 1tru h LYS 39 CO 0.87 0.29 0.00 -0.35 -2.00 0.00 0.00 179.45 178.26 1tru n PRO 40 N -2.90 0.67 0.00 0.07 -0.04 -1.26 -2.86 135.00 128.68 1tru n PRO 40 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 1tru n PRO 40 Cb 0.84 -1.19 0.00 0.00 -0.04 0.00 0.00 33.50 33.11 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 -0.69 0.00 0.48 0.54 3.72 -1.25 -4.49 117.46 115.77 1tru n PHE 41 Ca 0.06 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.26 1tru n PHE 41 Cb 0.03 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 38.47 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 -1.23 0.00 1.38 3.57 -1.69 -1.43 116.94 117.54 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 0.42 0.00 0.00 2.79 0.00 0.00 35.95 39.16 1tru h PHE 42 CO 0.00 -0.74 0.00 1.58 -2.23 0.00 0.00 178.31 176.92 1tru n HIS 43 N -5.48 0.00 -0.04 0.41 -0.00 -1.14 -1.87 115.22 107.11 1tru n HIS 43 Ca -0.16 0.00 -0.07 0.00 0.46 0.00 0.00 57.72 57.96 1tru n HIS 43 Cb 0.50 0.00 -0.14 0.00 -0.12 0.00 0.00 29.99 30.24 1tru n HIS 43 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 1tru n SER 44 N -0.99 0.55 0.13 0.26 3.41 -0.57 -3.97 113.62 112.43 1tru n SER 44 Ca 0.06 0.26 0.08 0.00 -0.26 0.00 0.00 58.87 59.01 1tru n SER 44 Cb 0.03 0.41 0.44 0.00 -0.26 0.00 0.00 64.21 64.84 1tru n SER 44 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1tru n LEU 45 N -2.88 0.42 0.01 1.04 4.77 -0.78 -1.44 117.00 118.13 1tru n LEU 45 Ca -0.20 0.69 0.07 0.00 -0.03 0.00 0.00 56.01 56.54 1tru n LEU 45 Cb 1.03 -0.73 0.48 0.00 -2.33 0.00 0.00 43.42 41.86 1tru n LEU 45 CO 0.44 -0.83 1.16 0.28 -1.33 0.00 0.00 177.39 177.11 1tru h SER 46 N 0.00 0.37 0.73 -1.43 0.02 -1.74 0.39 113.55 111.90 1tru h SER 46 Ca 0.00 -0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.77 1tru h SER 46 Cb 0.05 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.47 1tru h SER 46 CO 0.00 0.26 -1.38 -0.33 -1.14 0.00 0.00 176.83 174.24 1tru h GLU 47 N 0.43 0.00 0.00 3.45 5.08 -1.54 -3.37 114.58 118.63 1tru h GLU 47 Ca 0.17 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.45 1tru h GLU 47 Cb 0.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1tru h GLU 47 CO -0.04 0.31 -0.49 -0.22 -1.00 0.00 0.00 179.01 177.57 1tru h LYS 48 N 0.00 0.00 -3.67 2.33 3.64 -1.39 -3.41 116.57 114.07 1tru h LYS 48 Ca -0.16 0.00 -0.73 0.00 -1.27 0.00 0.00 60.65 58.49 1tru h LYS 48 Cb 1.60 0.00 -0.32 0.00 -0.41 0.00 0.00 32.23 33.09 1tru h LYS 48 CO 0.05 0.89 -0.22 0.71 -2.27 0.00 0.00 179.45 178.61 1tru s TYR 49 N -2.23 3.52 -1.23 1.91 1.51 0.13 -4.89 117.35 116.07 1tru s TYR 49 Ca -0.21 -2.48 0.17 0.00 -1.01 0.00 0.00 57.07 53.55 1tru s TYR 49 Cb 0.01 -3.40 0.82 0.00 -0.11 0.00 0.00 41.96 39.28 1tru s TYR 49 CO 0.59 -0.89 1.54 -1.13 -1.11 0.00 0.00 175.55 174.55 1tru n SER 50 N 3.65 0.00 -2.20 2.29 3.41 -1.26 -2.84 113.62 116.67 1tru n SER 50 Ca 0.10 0.25 -0.24 0.00 -0.26 0.00 0.00 58.87 58.72 1tru n SER 50 Cb 0.41 -0.39 0.18 0.00 -0.26 0.00 0.00 64.21 64.15 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 -1.39 3.78 -4.02 4.04 5.15 -1.26 -4.60 115.26 116.96 1tru n ASN 51 Ca 0.06 -3.62 -0.20 0.00 -0.60 0.00 0.00 54.58 50.22 1tru n ASN 51 Cb 0.17 -0.84 -0.15 0.00 -0.53 0.00 0.00 39.78 38.43 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 -3.32 0.82 -0.36 3.44 1.01 -1.13 -4.69 120.40 116.17 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 -0.71 -0.01 0.00 0.00 0.00 0.00 36.38 36.14 1tru s VAL 52 CO 0.11 0.25 0.26 -0.63 0.00 0.00 0.00 175.10 175.08 1tru s ILE 53 N 0.01 5.27 -0.19 2.22 -1.09 -1.22 -4.16 121.20 122.04 1tru s ILE 53 Ca -0.00 -0.30 -0.06 0.00 -2.23 0.00 0.00 60.65 58.06 1tru s ILE 53 Cb -0.07 -3.77 -0.03 0.00 -1.58 0.00 0.00 42.46 37.01 1tru s ILE 53 CO 0.00 -0.08 0.02 -0.36 -1.23 0.00 0.00 174.94 173.29 1tru s PHE 54 N 1.73 3.10 -0.11 3.97 0.08 -1.22 -2.39 117.98 123.14 1tru s PHE 54 Ca 0.06 -0.25 -0.03 0.00 0.12 0.00 0.00 56.93 56.83 1tru s PHE 54 Cb -0.18 -2.07 -0.03 0.00 -0.57 0.00 0.00 43.02 40.17 1tru s PHE 54 CO 0.10 -0.08 -0.01 -0.51 -0.10 0.00 0.00 175.22 174.62 1tru s LEU 55 N 0.73 3.50 -0.34 -0.37 1.02 -1.01 -2.42 118.68 119.79 1tru s LEU 55 Ca 0.01 0.05 -0.03 0.00 0.02 0.00 0.00 54.13 54.18 1tru s LEU 55 Cb -0.14 -1.82 0.06 0.00 0.02 0.00 0.00 46.19 44.32 1tru s LEU 55 CO 0.02 0.30 0.08 -0.70 0.02 0.00 0.00 176.35 176.07 1tru s GLU 56 N -0.40 2.37 -0.16 1.70 2.12 -1.09 -1.48 118.70 121.76 1tru s GLU 56 Ca 0.07 -1.39 -0.05 0.00 0.36 0.00 0.00 54.97 53.96 1tru s GLU 56 Cb -0.12 -3.36 -0.03 0.00 0.26 0.00 0.00 34.13 30.88 1tru s GLU 56 CO 0.02 -0.75 0.01 0.08 -0.54 0.00 0.00 175.26 174.08 1tru s VAL 57 N 1.26 4.35 -0.32 3.70 1.01 -1.07 -3.16 120.40 126.17 1tru s VAL 57 Ca -0.01 -0.20 -0.15 0.00 0.00 0.00 0.00 61.98 61.62 1tru s VAL 57 Cb -0.20 -2.93 -0.02 0.00 0.00 0.00 0.00 36.38 33.23 1tru s VAL 57 CO -0.01 0.49 0.38 -0.62 0.00 0.00 0.00 175.10 175.34 1tru s ASP 58 N 0.26 6.21 0.00 3.32 2.15 -1.26 -3.27 116.67 124.09 1tru s ASP 58 Ca 0.00 -0.06 0.02 0.00 0.43 0.00 0.00 52.55 52.94 1tru s ASP 58 Cb -0.13 -2.21 0.09 0.00 -0.30 0.00 0.00 42.92 40.37 1tru s ASP 58 CO 0.02 -0.31 0.35 1.33 -0.17 0.00 0.00 175.17 176.38 1tru n VAL 59 N 5.23 0.00 -0.04 1.11 0.24 -1.18 -1.13 118.33 122.56 1tru n VAL 59 Ca -0.08 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.16 1tru n VAL 59 Cb 0.50 -0.56 -0.04 0.00 -1.47 0.00 0.00 33.84 32.26 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 -0.65 3.33 0.02 -1.34 9.92 -1.26 -4.39 116.55 122.18 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 0.01 -0.05 -0.14 0.00 -0.64 0.00 0.00 41.12 40.30 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 0.42 -1.99 -2.24 3.58 -1.82 -3.37 116.42 111.00 1tru h ASP 61 Ca -0.19 -0.88 -0.74 0.00 0.42 0.00 0.00 57.03 55.64 1tru h ASP 61 Cb 1.31 -0.14 -0.30 0.00 1.72 0.00 0.00 39.33 41.93 1tru h ASP 61 CO -0.03 1.71 0.72 0.00 -2.88 0.00 0.00 179.24 178.76 1tru n ALA 62 N -2.98 6.15 0.11 -0.78 0.00 -0.28 -4.73 120.51 118.00 1tru n ALA 62 Ca -0.27 -4.27 0.07 0.00 0.00 0.00 0.00 53.44 48.97 1tru n ALA 62 Cb 0.96 -1.76 0.36 0.00 0.00 0.00 0.00 19.45 19.01 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 -0.43 0.09 -0.04 0.00 6.02 -1.26 -1.24 117.38 120.52 1tru n GLN 63 Ca 0.49 0.57 -0.16 0.00 -0.01 0.00 0.00 57.00 57.89 1tru n GLN 63 Cb 0.31 -1.83 -0.07 0.00 1.02 0.00 0.00 30.24 29.67 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 0.75 0.73 1.08 2.03 -1.94 -2.63 116.42 116.44 1tru h ASP 64 Ca 0.00 -0.61 -0.16 0.00 -0.73 0.00 0.00 57.03 55.53 1tru h ASP 64 Cb 0.09 -0.22 -0.02 0.00 -0.83 0.00 0.00 39.33 38.35 1tru h ASP 64 CO 0.00 1.23 -0.74 0.58 -1.03 0.00 0.00 179.24 179.28 1tru h VAL 65 N 0.30 1.53 -0.08 4.15 2.07 -1.55 -3.05 116.25 119.62 1tru h VAL 65 Ca -0.03 -2.53 -0.08 0.00 0.82 0.00 0.00 66.70 64.88 1tru h VAL 65 Cb 1.19 2.37 -0.01 0.00 -1.52 0.00 0.00 31.29 33.31 1tru h VAL 65 CO 0.12 0.72 -0.32 0.00 0.02 0.00 0.00 177.57 178.11 1tru h ALA 66 N 1.25 1.32 0.41 1.67 0.00 -1.45 -0.45 119.26 122.01 1tru h ALA 66 Ca -0.01 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1tru h ALA 66 Cb 1.31 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1tru h ALA 66 CO 0.10 0.48 -0.20 1.03 0.00 0.00 0.00 179.25 180.66 1tru h SER 67 N 0.13 -0.46 0.09 0.00 0.87 -1.36 -2.42 113.55 110.41 1tru h SER 67 Ca 0.02 -0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.47 1tru h SER 67 Cb 0.64 0.12 -0.00 0.00 -0.44 0.00 0.00 62.40 62.71 1tru h SER 67 CO 0.05 -0.03 -0.10 -0.08 -0.53 0.00 0.00 176.83 176.14 1tru h GLU 68 N -1.05 0.02 0.00 2.24 4.81 -1.55 0.10 114.58 119.14 1tru h GLU 68 Ca -0.06 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1tru h GLU 68 Cb 0.51 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1tru h GLU 68 CO 0.09 0.12 0.00 0.00 -0.73 0.00 0.00 179.01 178.49 1tru n ALA 69 N -2.52 1.92 -3.27 2.92 0.00 -0.18 -4.87 120.51 114.51 1tru n ALA 69 Ca -0.03 -0.01 -0.24 0.00 0.00 0.00 0.00 53.44 53.17 1tru n ALA 69 Cb 0.18 -1.38 0.03 0.00 0.00 0.00 0.00 19.45 18.28 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 -1.89 -4.97 -2.82 0.00 2.13 0.02 -4.90 120.64 108.22 1tru n GLU 70 Ca 0.04 0.76 -0.43 0.00 0.66 0.00 0.00 57.16 58.19 1tru n GLU 70 Cb 0.28 -5.61 -0.04 0.00 0.27 0.00 0.00 31.44 26.33 1tru n GLU 70 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1tru s VAL 71 N -3.15 4.39 -0.23 6.31 1.01 -1.10 -4.82 120.40 122.82 1tru s VAL 71 Ca 0.40 0.41 0.09 0.00 0.00 0.00 0.00 61.98 62.89 1tru s VAL 71 Cb -0.19 -4.53 0.20 0.00 0.00 0.00 0.00 36.38 31.86 1tru s VAL 71 CO 0.49 -1.07 1.14 0.29 0.00 0.00 0.00 175.10 175.96 1tru n LYS 72 N 7.45 2.50 -3.31 2.72 5.02 -1.26 -4.90 118.16 126.39 1tru n LYS 72 Ca 0.03 -2.06 -0.10 0.00 -2.02 0.00 0.00 58.31 54.16 1tru n LYS 72 Cb 0.48 -1.29 -0.06 0.00 -0.02 0.00 0.00 35.03 34.14 1tru n LYS 72 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1tru s ALA 73 N -1.74 -1.16 0.21 7.82 0.00 -1.26 -5.15 121.76 120.48 1tru s ALA 73 Ca 0.18 0.15 -0.01 0.00 0.00 0.00 0.00 51.96 52.28 1tru s ALA 73 Cb 0.14 -2.08 -0.04 0.00 0.00 0.00 0.00 23.12 21.14 1tru s ALA 73 CO 0.05 -1.77 0.42 0.95 0.00 0.00 0.00 175.76 175.40 1tru s THR 74 N 2.49 5.17 0.48 0.00 -4.23 -1.26 -4.06 115.64 114.23 1tru s THR 74 Ca 0.10 -0.29 -0.19 0.00 -1.18 0.00 0.00 61.69 60.13 1tru s THR 74 Cb -0.12 -3.73 -0.09 0.00 1.34 0.00 0.00 72.50 69.90 1tru s THR 74 CO -0.29 -0.19 1.00 -2.16 -0.54 0.00 0.00 174.62 172.43 1tru s PRO 75 N -3.35 3.95 -0.03 3.99 0.04 -1.26 -5.00 135.00 133.34 1tru s PRO 75 Ca 0.39 1.18 -0.01 0.00 0.04 0.00 0.00 61.00 62.61 1tru s PRO 75 Cb -0.11 -2.13 0.03 0.00 0.04 0.00 0.00 34.50 32.33 1tru s PRO 75 CO 0.29 -0.28 0.03 0.99 0.04 0.00 0.00 177.00 178.07 1tru s THR 76 N -2.22 0.04 -0.02 1.26 2.01 -0.62 -3.15 115.64 112.94 1tru s THR 76 Ca 0.63 0.24 0.00 0.00 0.31 0.00 0.00 61.69 62.88 1tru s THR 76 Cb -0.12 -0.20 -0.04 0.00 0.01 0.00 0.00 72.50 72.15 1tru s THR 76 CO 0.21 0.15 0.01 -0.36 -0.69 0.00 0.00 174.62 173.94 1tru s PHE 77 N 1.51 3.12 -0.01 4.92 0.40 -1.18 -0.38 117.98 126.35 1tru s PHE 77 Ca -0.03 0.13 0.04 0.00 -0.60 0.00 0.00 56.93 56.46 1tru s PHE 77 Cb -0.13 -1.71 -0.01 0.00 0.51 0.00 0.00 43.02 41.69 1tru s PHE 77 CO -0.03 0.48 -0.13 -0.65 0.70 0.00 0.00 175.22 175.59 1tru s GLN 78 N -1.41 1.09 -0.40 0.44 -0.21 -0.36 -2.68 119.66 116.12 1tru s GLN 78 Ca 0.18 -0.46 -0.10 0.00 0.02 0.00 0.00 55.36 55.00 1tru s GLN 78 Cb -0.12 -1.04 0.06 0.00 1.00 0.00 0.00 33.01 32.91 1tru s GLN 78 CO 0.09 0.27 0.24 -0.06 -2.12 0.00 0.00 175.29 173.70 1tru s PHE 79 N -0.25 3.29 0.18 0.91 0.40 0.57 -0.62 117.98 122.46 1tru s PHE 79 Ca 0.04 -1.25 0.07 0.00 -0.60 0.00 0.00 56.93 55.19 1tru s PHE 79 Cb -0.06 -2.72 -0.04 0.00 0.51 0.00 0.00 43.02 40.72 1tru s PHE 79 CO -0.00 -0.76 0.05 -0.06 0.70 0.00 0.00 175.22 175.15 1tru s PHE 80 N 1.49 2.94 -0.21 0.36 0.08 0.49 -1.24 117.98 121.88 1tru s PHE 80 Ca 0.02 -0.11 -0.13 0.00 0.12 0.00 0.00 56.93 56.84 1tru s PHE 80 Cb -0.21 -1.40 0.06 0.00 -0.57 0.00 0.00 43.02 40.90 1tru s PHE 80 CO 0.04 0.53 0.52 0.21 -0.10 0.00 0.00 175.22 176.42 1tru s LYS 81 N -3.12 0.53 -0.50 0.44 2.20 -0.44 -2.07 119.74 116.78 1tru s LYS 81 Ca 0.29 0.92 0.00 0.00 -0.36 0.00 0.00 55.97 56.82 1tru s LYS 81 Cb -0.09 0.08 0.00 0.00 -1.51 0.00 0.00 37.83 36.31 1tru s LYS 81 CO 0.20 -0.14 0.00 1.63 -0.36 0.00 0.00 175.35 176.68 1tru n LYS 82 N 4.04 -1.74 -0.83 4.03 5.02 -1.25 0.81 118.16 128.23 1tru n LYS 82 Ca -0.21 0.48 0.00 0.00 -2.02 0.00 0.00 58.31 56.56 1tru n LYS 82 Cb 0.57 -4.41 0.00 0.00 -0.02 0.00 0.00 35.03 31.17 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 1.03 2.90 0.72 0.00 -1.26 -4.98 105.19 103.92 1tru n GLY 83 Ca -0.05 -0.48 -0.23 0.00 0.00 0.00 0.00 46.02 45.27 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 -2.00 1.09 -0.27 1.61 -0.21 0.24 -5.09 119.66 115.03 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 -0.03 0.00 1.00 0.00 0.00 33.01 32.88 1tru s GLN 84 CO 0.00 -0.12 1.81 0.21 -2.12 0.00 0.00 175.29 175.07 1tru s LYS 85 N 1.15 3.48 -0.09 2.91 2.20 -1.26 -1.33 119.74 126.80 1tru s LYS 85 Ca -0.07 1.63 0.13 0.00 -0.36 0.00 0.00 55.97 57.30 1tru s LYS 85 Cb -0.14 -4.17 0.36 0.00 -1.51 0.00 0.00 37.83 32.37 1tru s LYS 85 CO -0.01 -1.69 1.28 1.33 -0.36 0.00 0.00 175.35 175.90 1tru n VAL 86 N 7.10 1.65 0.00 4.02 0.24 -0.37 -4.98 118.33 126.00 1tru n VAL 86 Ca 0.22 -1.54 0.00 0.00 -2.04 0.00 0.00 64.34 60.99 1tru n VAL 86 Cb 0.46 0.09 0.00 0.00 -1.47 0.00 0.00 33.84 32.91 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 -0.30 2.04 3.61 7.63 0.00 -1.15 -4.98 105.19 112.04 1tru n GLY 87 Ca 0.15 -0.50 -0.08 0.00 0.00 0.00 0.00 46.02 45.59 1tru n GLY 87 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1tru s GLU 88 N -2.00 0.41 -0.29 1.61 2.12 -1.26 -0.31 118.70 118.98 1tru s GLU 88 Ca 0.00 0.20 -0.16 0.00 0.36 0.00 0.00 54.97 55.37 1tru s GLU 88 Cb 0.00 0.20 0.13 0.00 0.26 0.00 0.00 34.13 34.72 1tru s GLU 88 CO 0.00 -0.11 0.90 -0.59 -0.54 0.00 0.00 175.26 174.92 1tru s PHE 89 N -0.72 -0.71 -0.13 5.30 -0.12 -1.09 -5.00 117.98 115.51 1tru s PHE 89 Ca 0.02 1.40 -0.05 0.00 -0.05 0.00 0.00 56.93 58.26 1tru s PHE 89 Cb -0.02 0.42 -0.04 0.00 -0.63 0.00 0.00 43.02 42.76 1tru s PHE 89 CO -0.04 -0.35 0.04 -1.54 -0.05 0.00 0.00 175.22 173.28 1tru s SER 90 N 1.46 5.50 0.00 1.98 1.04 -1.26 -3.13 113.70 119.30 1tru s SER 90 Ca -0.09 0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.48 1tru s SER 90 Cb -0.04 -1.77 0.00 0.00 0.10 0.00 0.00 66.02 64.31 1tru s SER 90 CO -0.16 0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.96 1tru n GLY 91 N 2.73 3.82 2.05 7.32 0.00 -1.19 -4.96 105.19 114.96 1tru n GLY 91 Ca -0.18 -0.77 -0.16 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.27 6.56 -3.27 4.61 0.00 -1.26 -4.69 120.51 121.18 1tru n ALA 92 Ca 0.00 -2.10 -0.40 0.00 0.00 0.00 0.00 53.44 50.94 1tru n ALA 92 Cb 0.00 -2.47 -0.02 0.00 0.00 0.00 0.00 19.45 16.96 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 2.63 5.44 0.13 0.00 4.05 -1.26 -4.85 115.26 121.40 1tru n ASN 93 Ca 0.48 -3.26 0.13 0.00 0.45 0.00 0.00 54.58 52.38 1tru n ASN 93 Cb 0.81 -1.19 0.64 0.00 1.23 0.00 0.00 39.78 41.27 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 5.74 0.05 0.00 1.20 2.10 -1.98 0.94 116.57 124.62 1tru h LYS 94 Ca 0.19 -0.00 -0.06 0.00 -2.00 0.00 0.00 60.65 58.78 1tru h LYS 94 Cb 0.73 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.04 1tru h LYS 94 CO 1.10 0.03 -0.26 0.93 -2.00 0.00 0.00 179.45 179.24 1tru h GLU 95 N 0.05 0.00 -0.18 0.07 4.39 -1.99 -2.67 114.58 114.25 1tru h GLU 95 Ca 0.12 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.72 1tru h GLU 95 Cb 0.42 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1tru h GLU 95 CO -0.01 0.26 -0.32 -0.22 -1.16 0.00 0.00 179.01 177.57 1tru h LYS 96 N 0.00 0.37 -0.95 2.33 3.64 -1.21 -2.85 116.57 117.90 1tru h LYS 96 Ca -0.00 -0.15 0.21 0.00 -1.27 0.00 0.00 60.65 59.44 1tru h LYS 96 Cb 0.62 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.35 1tru h LYS 96 CO 0.03 0.65 0.62 -0.07 -2.27 0.00 0.00 179.45 178.41 1tru h LEU 97 N 0.32 0.49 0.43 5.20 3.38 -1.48 0.49 115.31 124.14 1tru h LEU 97 Ca 0.04 0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1tru h LEU 97 Cb 0.73 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1tru h LEU 97 CO 0.06 0.18 -0.21 -0.08 0.09 0.00 0.00 178.44 178.47 1tru h GLU 98 N 0.48 -0.56 -0.87 1.13 4.22 -1.65 0.21 114.58 117.54 1tru h GLU 98 Ca 0.51 0.04 0.14 0.00 0.08 0.00 0.00 59.36 60.13 1tru h GLU 98 Cb 1.18 0.13 -0.07 0.00 0.50 0.00 0.00 28.75 30.49 1tru h GLU 98 CO -0.23 -0.37 0.56 0.00 -2.18 0.00 0.00 179.01 176.79 1tru h ALA 99 N -1.55 1.88 0.04 2.92 0.00 -1.56 -0.73 119.26 120.26 1tru h ALA 99 Ca -0.06 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1tru h ALA 99 Cb 0.44 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1tru h ALA 99 CO 0.10 -0.11 -0.02 1.15 0.00 0.00 0.00 179.25 180.37 1tru h THR 100 N 0.65 1.33 -0.82 0.00 2.02 -0.88 -2.72 112.91 112.49 1tru h THR 100 Ca 0.43 -1.28 0.07 0.00 0.77 0.00 0.00 66.41 66.41 1tru h THR 100 Cb 0.74 2.17 -0.06 0.00 -1.74 0.00 0.00 68.15 69.26 1tru h THR 100 CO -0.19 0.32 0.49 0.40 0.37 0.00 0.00 175.52 176.91 1tru h ILE 101 N -0.62 0.99 0.00 3.11 2.04 -0.02 0.45 117.51 123.46 1tru h ILE 101 Ca -0.01 -0.30 0.00 0.00 1.00 0.00 0.00 64.86 65.56 1tru h ILE 101 Cb 0.56 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1tru h ILE 101 CO 0.01 0.16 0.00 -3.20 0.00 0.00 0.00 178.15 175.12 1tru n ASN 102 N -4.69 0.00 -0.06 1.72 2.85 -0.33 -2.31 115.26 112.44 1tru n ASN 102 Ca 0.12 -0.57 -0.03 0.00 -0.11 0.00 0.00 54.58 53.99 1tru n ASN 102 Cb 0.21 -0.05 -0.02 0.00 1.24 0.00 0.00 39.78 41.16 1tru n ASN 102 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 1tru h GLU 103 N 0.00 0.00 -0.64 1.20 4.81 0.25 -3.36 114.58 116.84 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 0.03 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.40 1tru h GLU 103 CO 0.00 0.17 0.02 1.28 -0.73 0.00 0.00 179.01 179.75 1tru n LEU 104 N -4.73 5.29 0.00 1.64 4.77 -1.19 -5.12 117.00 117.66 1tru n LEU 104 Ca -0.03 -2.69 0.06 0.00 -0.03 0.00 0.00 56.01 53.32 1tru n LEU 104 Cb 0.11 -0.67 0.34 0.00 -2.33 0.00 0.00 43.42 40.87 1tru n LEU 104 CO 0.06 0.60 0.56 0.55 -1.33 0.00 0.00 177.39 177.83