#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 -0.25 2.03 1.01 -1.26 -3.63 120.40 118.42 1tru s VAL 2 Ca 0.00 -1.50 -0.02 0.00 0.00 0.00 0.00 61.98 60.45 1tru s VAL 2 Cb 0.00 -1.70 0.13 0.00 0.00 0.00 0.00 36.38 34.81 1tru s VAL 2 CO 0.00 -0.53 0.37 -0.75 0.00 0.00 0.00 175.10 174.19 1tru s LYS 3 N -3.95 0.34 -0.10 2.72 2.47 -0.89 -4.97 119.74 115.37 1tru s LYS 3 Ca 0.14 0.48 -0.29 0.00 -1.56 0.00 0.00 55.97 54.74 1tru s LYS 3 Cb 0.05 -0.51 -0.02 0.00 -1.46 0.00 0.00 37.83 35.90 1tru s LYS 3 CO -0.04 -0.67 0.97 -1.14 0.16 0.00 0.00 175.35 174.63 1tru s GLN 4 N 2.53 4.43 -0.38 4.03 0.74 -1.26 -2.53 119.66 127.23 1tru s GLN 4 Ca 0.12 1.34 -0.22 0.00 0.05 0.00 0.00 55.36 56.65 1tru s GLN 4 Cb -0.15 -3.53 0.01 0.00 1.10 0.00 0.00 33.01 30.44 1tru s GLN 4 CO -0.17 -0.26 0.73 0.42 -0.55 0.00 0.00 175.29 175.46 1tru s ILE 5 N 1.84 4.77 -0.27 -2.34 -1.09 -1.15 -4.90 121.20 118.06 1tru s ILE 5 Ca 0.47 0.70 0.23 0.00 -2.23 0.00 0.00 60.65 59.82 1tru s ILE 5 Cb -0.18 -4.18 0.02 0.00 -1.58 0.00 0.00 42.46 36.53 1tru s ILE 5 CO 0.19 -0.44 1.08 -0.33 -1.23 0.00 0.00 174.94 174.21 1tru h GLU 6 N 8.55 0.00 -3.02 2.79 5.08 -1.94 -3.42 114.58 122.62 1tru h GLU 6 Ca -0.25 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 1tru h GLU 6 Cb 1.10 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 30.24 1tru h GLU 6 CO 0.89 0.00 0.20 -1.54 -1.00 0.00 0.00 179.01 177.57 1tru s SER 7 N -5.32 -0.52 0.61 1.42 1.04 -1.26 -4.40 113.70 105.28 1tru s SER 7 Ca 0.00 -0.10 0.29 0.00 0.48 0.00 0.00 55.95 56.63 1tru s SER 7 Cb 0.10 0.61 1.54 0.00 0.10 0.00 0.00 66.02 68.37 1tru s SER 7 CO 0.78 -1.02 1.93 0.50 0.98 0.00 0.00 173.24 176.41 1tru h LYS 8 N 2.01 0.00 0.74 4.02 3.64 -1.93 -1.67 116.57 123.38 1tru h LYS 8 Ca -0.32 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.02 1tru h LYS 8 Cb 1.30 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.13 1tru h LYS 8 CO 0.36 0.00 -0.36 1.15 -2.27 0.00 0.00 179.45 178.33 1tru h THR 9 N 0.00 0.26 0.00 1.00 2.02 -2.01 -1.99 112.91 112.19 1tru h THR 9 Ca 0.14 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.31 1tru h THR 9 Cb 0.94 0.26 -0.00 0.00 -1.74 0.00 0.00 68.15 67.61 1tru h THR 9 CO -0.00 0.00 -0.04 0.00 0.37 0.00 0.00 175.52 175.85 1tru h ALA 10 N -0.74 1.18 0.28 6.16 0.00 -1.72 -2.84 119.26 121.58 1tru h ALA 10 Ca -0.10 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 1tru h ALA 10 Cb 0.78 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1tru h ALA 10 CO 0.16 0.04 -0.13 0.35 0.00 0.00 0.00 179.25 179.67 1tru h PHE 11 N 0.00 -0.35 0.46 0.00 3.57 -1.08 0.47 116.94 120.01 1tru h PHE 11 Ca -0.00 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1tru h PHE 11 Cb 0.18 0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.04 1tru h PHE 11 CO 0.00 -0.17 -0.22 1.96 -2.23 0.00 0.00 178.31 177.65 1tru h GLN 12 N -0.44 -0.59 -0.06 1.11 4.20 -1.29 -2.06 115.11 115.98 1tru h GLN 12 Ca -0.04 0.04 0.02 0.00 0.06 0.00 0.00 58.65 58.73 1tru h GLN 12 Cb 0.33 0.13 -0.00 0.00 0.30 0.00 0.00 27.48 28.24 1tru h GLN 12 CO 0.06 -0.32 0.06 0.93 -0.67 0.00 0.00 178.83 178.90 1tru h GLU 13 N -0.79 0.00 -0.23 1.46 3.07 -1.54 -1.63 114.58 114.92 1tru h GLU 13 Ca -0.06 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.69 1tru h GLU 13 Cb 0.55 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.46 1tru h GLU 13 CO 0.10 0.00 -0.26 0.00 -1.40 0.00 0.00 179.01 177.46 1tru h ALA 14 N 1.94 0.34 -0.42 3.43 0.00 0.39 -0.20 119.26 124.75 1tru h ALA 14 Ca 0.03 -0.38 -0.15 0.00 0.00 0.00 0.00 54.91 54.40 1tru h ALA 14 Cb 0.15 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1tru h ALA 14 CO -0.00 0.33 -0.33 -0.07 0.00 0.00 0.00 179.25 179.18 1tru h LEU 15 N 0.28 1.01 -0.58 0.00 3.38 -0.64 -1.28 115.31 117.48 1tru h LEU 15 Ca 0.03 -0.44 -0.12 0.00 0.09 0.00 0.00 57.88 57.44 1tru h LEU 15 Cb 0.82 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 1tru h LEU 15 CO 0.06 1.24 -0.19 -0.78 0.09 0.00 0.00 178.44 178.86 1tru h ASP 16 N 0.80 0.95 0.68 -0.43 1.82 -1.33 -2.61 116.42 116.30 1tru h ASP 16 Ca 0.08 -0.34 -0.07 0.00 -0.39 0.00 0.00 57.03 56.30 1tru h ASP 16 Cb 0.92 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 40.66 1tru h ASP 16 CO 0.09 1.11 -0.34 0.00 -1.61 0.00 0.00 179.24 178.49 1tru h ALA 17 N 0.96 1.11 -0.45 -0.78 0.00 -0.91 -2.81 119.26 116.38 1tru h ALA 17 Ca 0.11 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 1tru h ALA 17 Cb 0.74 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 1tru h ALA 17 CO 0.06 0.43 0.16 0.00 0.00 0.00 0.00 179.25 179.89 1tru h ALA 18 N 1.66 1.44 0.00 0.00 0.00 -0.83 -3.48 119.26 118.05 1tru h ALA 18 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1tru h ALA 18 Cb 0.77 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1tru h ALA 18 CO 0.04 0.42 0.00 0.41 0.00 0.00 0.00 179.25 180.12 1tru n GLY 19 N -1.10 1.10 0.53 0.00 0.00 -1.06 -3.38 105.19 101.28 1tru n GLY 19 Ca 0.03 -0.65 0.05 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 7.27 2.85 -4.83 1.61 2.03 -1.26 -3.63 116.55 120.59 1tru n ASP 20 Ca 0.00 -2.16 -0.30 0.00 0.52 0.00 0.00 54.79 52.85 1tru n ASP 20 Cb 0.00 -0.23 0.07 0.00 -0.72 0.00 0.00 41.12 40.24 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 -1.28 2.51 0.70 -0.67 1.02 -1.22 -4.82 119.74 115.99 1tru s LYS 21 Ca 0.21 0.65 -0.16 0.00 0.02 0.00 0.00 55.97 56.69 1tru s LYS 21 Cb 0.13 -1.97 0.02 0.00 -0.52 0.00 0.00 37.83 35.50 1tru s LYS 21 CO 0.12 -1.32 1.20 -1.17 -0.92 0.00 0.00 175.35 173.26 1tru s LEU 22 N -5.60 3.38 -0.32 3.17 0.20 -1.26 -4.60 118.68 113.65 1tru s LEU 22 Ca 0.59 2.34 0.00 0.00 0.69 0.00 0.00 54.13 57.75 1tru s LEU 22 Cb -0.13 -4.59 0.14 0.00 -0.43 0.00 0.00 46.19 41.18 1tru s LEU 22 CO 0.54 -2.11 0.30 -0.69 -0.29 0.00 0.00 176.35 174.10 1tru s VAL 23 N -1.94 -0.29 -0.29 1.68 1.01 -1.07 -3.14 120.40 116.36 1tru s VAL 23 Ca 0.74 -0.81 -0.12 0.00 0.00 0.00 0.00 61.98 61.80 1tru s VAL 23 Cb -0.29 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 1tru s VAL 23 CO 0.43 -0.59 0.22 -0.69 0.00 0.00 0.00 175.10 174.48 1tru s VAL 24 N 1.90 5.29 -0.10 2.92 1.01 -1.05 -0.31 120.40 130.06 1tru s VAL 24 Ca 0.13 0.16 -0.13 0.00 0.00 0.00 0.00 61.98 62.14 1tru s VAL 24 Cb -0.16 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.59 1tru s VAL 24 CO -0.20 0.19 0.30 -0.69 0.00 0.00 0.00 175.10 174.70 1tru s VAL 25 N 1.80 5.26 -0.30 2.92 1.01 0.55 -2.37 120.40 129.26 1tru s VAL 25 Ca 0.08 0.57 -0.06 0.00 0.00 0.00 0.00 61.98 62.57 1tru s VAL 25 Cb -0.16 -3.61 0.02 0.00 0.00 0.00 0.00 36.38 32.63 1tru s VAL 25 CO 0.11 0.50 0.08 -0.62 0.00 0.00 0.00 175.10 175.16 1tru s ASP 26 N -0.34 5.11 -0.49 3.32 2.15 -0.50 -1.14 116.67 124.78 1tru s ASP 26 Ca 0.19 -0.84 -0.16 0.00 0.43 0.00 0.00 52.55 52.17 1tru s ASP 26 Cb -0.14 -1.86 0.09 0.00 -0.30 0.00 0.00 42.92 40.71 1tru s ASP 26 CO 0.07 -0.22 0.43 -0.36 -0.17 0.00 0.00 175.17 174.92 1tru s PHE 27 N 1.46 3.24 0.19 -5.34 0.08 0.18 -2.63 117.98 115.16 1tru s PHE 27 Ca 0.01 -1.01 -0.03 0.00 0.12 0.00 0.00 56.93 56.01 1tru s PHE 27 Cb -0.18 -3.36 -0.03 0.00 -0.57 0.00 0.00 43.02 38.88 1tru s PHE 27 CO 0.02 -0.87 0.18 -1.12 -0.10 0.00 0.00 175.22 173.34 1tru s SER 28 N 2.89 0.13 -0.56 1.36 0.01 -1.22 -1.41 113.70 114.90 1tru s SER 28 Ca 0.04 -1.25 -0.17 0.00 1.31 0.00 0.00 55.95 55.88 1tru s SER 28 Cb -0.26 0.40 0.11 0.00 0.21 0.00 0.00 66.02 66.49 1tru s SER 28 CO 0.06 -0.87 0.59 0.00 0.41 0.00 0.00 173.24 173.43 1tru s ALA 29 N -4.11 3.53 0.55 1.44 0.00 -1.26 -3.16 121.76 118.75 1tru s ALA 29 Ca 0.32 -2.35 0.26 0.00 0.00 0.00 0.00 51.96 50.19 1tru s ALA 29 Cb 0.06 -3.38 1.47 0.00 0.00 0.00 0.00 23.12 21.26 1tru s ALA 29 CO 0.09 -2.16 2.04 0.00 0.00 0.00 0.00 175.76 175.73 1tru h THR 30 N 5.90 0.65 -0.00 0.00 1.03 -1.95 0.15 112.91 118.69 1tru h THR 30 Ca -0.30 0.00 -0.20 0.00 -0.01 0.00 0.00 66.41 65.91 1tru h THR 30 Cb 1.09 0.79 -0.01 0.00 -1.07 0.00 0.00 68.15 68.95 1tru h THR 30 CO 1.06 0.00 -0.87 4.11 -0.01 0.00 0.00 175.52 179.81 1tru h TRP 31 N 0.00 0.31 -3.63 0.00 5.08 -2.02 -3.45 115.95 112.23 1tru h TRP 31 Ca 0.17 -0.17 -0.47 0.00 1.08 0.00 0.00 58.89 59.50 1tru h TRP 31 Cb 0.75 -0.04 0.20 0.00 -3.00 0.00 0.00 29.16 27.08 1tru h TRP 31 CO 0.00 0.98 0.09 0.00 -1.28 0.00 0.00 178.44 178.23 1tru n GLY 33 N 0.55 -0.37 0.35 0.00 0.00 -1.26 -3.95 105.19 100.50 1tru n GLY 33 Ca 0.06 -0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.24 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 -0.01 0.00 0.06 1.61 0.11 -1.96 -0.19 132.00 131.61 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 0.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.12 1tru h PRO 34 CO 0.00 0.00 -0.47 0.00 -0.21 0.00 0.00 178.00 177.32 1tru n LYS 36 N -4.38 0.03 0.17 0.00 4.81 -0.18 -2.20 118.16 116.41 1tru n LYS 36 Ca -0.14 0.29 0.14 0.00 -0.87 0.00 0.00 58.31 57.73 1tru n LYS 36 Cb 0.64 -1.50 0.56 0.00 0.02 0.00 0.00 35.03 34.75 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 -0.88 1.64 4.05 -1.31 -2.77 114.93 115.66 1tru h MET 37 Ca 0.00 0.00 -0.29 0.00 -0.28 0.00 0.00 59.70 59.13 1tru h MET 37 Cb 0.16 0.00 -0.18 0.00 -0.80 0.00 0.00 31.60 30.78 1tru h MET 37 CO 0.00 0.00 0.37 -0.89 0.23 0.00 0.00 176.91 176.62 1tru n ILE 38 N -2.48 2.71 0.04 1.77 5.41 -0.93 -4.35 119.36 121.53 1tru n ILE 38 Ca 0.02 -1.49 0.01 0.00 1.00 0.00 0.00 62.75 62.28 1tru n ILE 38 Cb 0.24 -0.47 -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 1.73 0.00 0.00 0.38 2.10 -1.72 -3.26 116.57 115.80 1tru h LYS 39 Ca 0.36 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.01 1tru h LYS 39 Cb 2.32 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.65 1tru h LYS 39 CO 0.77 0.27 0.00 -0.35 -2.00 0.00 0.00 179.45 178.14 1tru n PRO 40 N -2.88 0.67 0.00 0.07 -0.04 -1.26 -2.71 135.00 128.84 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 -1.29 0.00 0.00 -0.04 0.00 0.00 33.50 32.99 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 -0.79 0.00 0.38 0.54 3.72 -1.25 -4.36 117.46 115.70 1tru n PHE 41 Ca 0.09 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.34 1tru n PHE 41 Cb 0.04 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.51 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 -0.92 0.00 1.38 3.57 -1.68 -1.86 116.94 117.43 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 0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.05 1tru h PHE 42 CO 0.00 -0.56 0.00 1.58 -2.23 0.00 0.00 178.31 177.10 1tru n HIS 43 N -4.64 0.00 0.05 0.41 -0.00 -1.10 -1.88 115.22 108.06 1tru n HIS 43 Ca -0.12 0.00 0.01 0.00 0.46 0.00 0.00 57.72 58.07 1tru n HIS 43 Cb 0.39 -0.23 -0.06 0.00 -0.12 0.00 0.00 29.99 29.97 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 -1.26 -3.30 113.55 110.15 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 0.51 0.00 0.18 -0.53 0.00 0.00 176.83 176.99 1tru n LEU 45 N -2.91 0.22 -0.09 2.23 4.77 -0.79 -1.85 117.00 118.58 1tru n LEU 45 Ca -0.07 0.60 0.09 0.00 -0.03 0.00 0.00 56.01 56.60 1tru n LEU 45 Cb 0.80 -0.63 0.45 0.00 -2.33 0.00 0.00 43.42 41.71 1tru n LEU 45 CO 0.42 -0.66 1.19 0.28 -1.33 0.00 0.00 177.39 177.29 1tru h SER 46 N 0.00 0.46 0.83 -1.43 0.02 -1.75 0.42 113.55 112.09 1tru h SER 46 Ca 0.00 0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.83 1tru h SER 46 Cb 0.02 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.44 1tru h SER 46 CO 0.00 0.29 -1.25 -0.33 -1.14 0.00 0.00 176.83 174.40 1tru h GLU 47 N 0.52 0.00 0.00 3.45 5.08 -1.66 -3.37 114.58 118.60 1tru h GLU 47 Ca 0.26 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.55 1tru h GLU 47 Cb 0.36 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1tru h GLU 47 CO -0.08 0.24 -0.49 -0.22 -1.00 0.00 0.00 179.01 177.46 1tru h LYS 48 N 0.00 0.00 -3.73 2.33 3.64 -1.35 -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 58.54 1tru h LYS 48 Cb 1.45 0.00 -0.32 0.00 -0.41 0.00 0.00 32.23 32.95 1tru h LYS 48 CO 0.04 0.66 -0.25 0.71 -2.27 0.00 0.00 179.45 178.33 1tru s TYR 49 N -2.15 3.51 -1.10 1.91 1.51 0.14 -4.90 117.35 116.27 1tru s TYR 49 Ca -0.18 -2.46 0.19 0.00 -1.01 0.00 0.00 57.07 53.61 1tru s TYR 49 Cb 0.01 -3.38 0.84 0.00 -0.11 0.00 0.00 41.96 39.32 1tru s TYR 49 CO 0.46 -0.89 1.60 -1.13 -1.11 0.00 0.00 175.55 174.47 1tru n SER 50 N 3.74 0.00 -2.22 2.29 3.41 -1.26 -2.97 113.62 116.61 1tru n SER 50 Ca 0.08 0.39 -0.25 0.00 -0.26 0.00 0.00 58.87 58.83 1tru n SER 50 Cb 0.40 -0.45 0.17 0.00 -0.26 0.00 0.00 64.21 64.07 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 -1.45 4.19 -4.00 4.04 5.15 -1.26 -4.39 115.26 117.53 1tru n ASN 51 Ca 0.06 -3.60 -0.20 0.00 -0.60 0.00 0.00 54.58 50.23 1tru n ASN 51 Cb 0.21 -0.85 -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 -3.42 0.76 -0.35 3.44 1.01 -1.16 -4.68 120.40 116.01 1tru s VAL 52 Ca 0.57 -0.36 -0.14 0.00 0.00 0.00 0.00 61.98 62.05 1tru s VAL 52 Cb 0.48 -0.67 -0.01 0.00 0.00 0.00 0.00 36.38 36.17 1tru s VAL 52 CO 0.09 0.23 0.29 -0.63 0.00 0.00 0.00 175.10 175.09 1tru s ILE 53 N 0.10 5.24 -0.20 2.22 -1.09 -1.19 -3.83 121.20 122.46 1tru s ILE 53 Ca -0.02 -0.16 -0.06 0.00 -2.23 0.00 0.00 60.65 58.19 1tru s ILE 53 Cb -0.07 -3.77 -0.03 0.00 -1.58 0.00 0.00 42.46 37.00 1tru s ILE 53 CO 0.00 -0.07 0.03 -0.36 -1.23 0.00 0.00 174.94 173.31 1tru s PHE 54 N 1.83 3.11 -0.13 3.97 0.08 -1.24 -2.52 117.98 123.08 1tru s PHE 54 Ca 0.08 -0.26 -0.04 0.00 0.12 0.00 0.00 56.93 56.83 1tru s PHE 54 Cb -0.17 -2.09 -0.03 0.00 -0.57 0.00 0.00 43.02 40.15 1tru s PHE 54 CO 0.11 -0.11 0.02 -0.51 -0.10 0.00 0.00 175.22 174.63 1tru s LEU 55 N 0.84 3.65 -0.34 -0.37 1.02 -1.00 -2.10 118.68 120.38 1tru s LEU 55 Ca 0.02 0.10 -0.03 0.00 0.02 0.00 0.00 54.13 54.23 1tru s LEU 55 Cb -0.14 -1.87 0.07 0.00 0.02 0.00 0.00 46.19 44.26 1tru s LEU 55 CO 0.02 0.28 0.09 -0.70 0.02 0.00 0.00 176.35 176.06 1tru s GLU 56 N -0.29 2.35 -0.18 1.70 2.12 -1.05 -1.41 118.70 121.94 1tru s GLU 56 Ca 0.07 -1.42 -0.06 0.00 0.36 0.00 0.00 54.97 53.92 1tru s GLU 56 Cb -0.12 -3.38 -0.03 0.00 0.26 0.00 0.00 34.13 30.85 1tru s GLU 56 CO 0.02 -0.77 0.02 0.08 -0.54 0.00 0.00 175.26 174.07 1tru s VAL 57 N 1.26 4.41 -0.32 3.70 1.01 -1.08 -2.92 120.40 126.46 1tru s VAL 57 Ca -0.00 -0.17 -0.16 0.00 0.00 0.00 0.00 61.98 61.65 1tru s VAL 57 Cb -0.21 -2.97 -0.02 0.00 0.00 0.00 0.00 36.38 33.18 1tru s VAL 57 CO -0.01 0.46 0.40 -0.62 0.00 0.00 0.00 175.10 175.33 1tru s ASP 58 N 0.47 6.23 0.00 3.32 2.15 -1.26 -3.40 116.67 124.18 1tru s ASP 58 Ca 0.01 0.01 0.02 0.00 0.43 0.00 0.00 52.55 53.02 1tru s ASP 58 Cb -0.13 -2.22 0.13 0.00 -0.30 0.00 0.00 42.92 40.40 1tru s ASP 58 CO 0.02 -0.31 0.41 1.33 -0.17 0.00 0.00 175.17 176.45 1tru n VAL 59 N 5.23 0.00 -0.05 1.11 0.24 -1.19 -0.96 118.33 122.71 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 -0.62 -0.05 0.00 -1.47 0.00 0.00 33.84 32.20 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 -0.70 3.24 0.00 -1.34 9.92 -1.26 -4.32 116.55 122.10 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 -0.13 -0.14 0.00 -0.64 0.00 0.00 41.12 40.22 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 0.37 -1.94 -2.24 1.82 -1.82 -3.37 116.42 109.24 1tru h ASP 61 Ca -0.22 -0.85 -0.74 0.00 -0.39 0.00 0.00 57.03 54.84 1tru h ASP 61 Cb 1.34 -0.12 -0.30 0.00 0.68 0.00 0.00 39.33 40.93 1tru h ASP 61 CO -0.03 1.65 0.69 0.00 -1.61 0.00 0.00 179.24 179.94 1tru n ALA 62 N -3.00 6.18 0.09 -0.78 0.00 -0.14 -4.73 120.51 118.13 1tru n ALA 62 Ca -0.26 -4.21 0.05 0.00 0.00 0.00 0.00 53.44 49.01 1tru n ALA 62 Cb 0.91 -1.71 0.28 0.00 0.00 0.00 0.00 19.45 18.93 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 -0.48 0.07 -0.03 0.00 10.64 -1.26 -1.15 117.38 125.17 1tru n GLN 63 Ca 0.50 0.54 -0.16 0.00 -1.83 0.00 0.00 57.00 56.04 1tru n GLN 63 Cb 0.32 -1.78 -0.08 0.00 -0.86 0.00 0.00 30.24 27.83 1tru n GLN 63 CO 0.00 0.00 0.00 0.38 -1.83 0.00 0.00 177.06 175.61 1tru h ASP 64 N 0.00 0.72 0.81 2.61 2.03 -1.93 -2.60 116.42 118.06 1tru h ASP 64 Ca 0.00 -0.63 -0.13 0.00 -0.73 0.00 0.00 57.03 55.53 1tru h ASP 64 Cb 0.13 -0.21 -0.02 0.00 -0.83 0.00 0.00 39.33 38.40 1tru h ASP 64 CO 0.00 1.24 -0.64 0.58 -1.03 0.00 0.00 179.24 179.39 1tru h VAL 65 N 0.26 1.34 -0.41 4.15 2.07 -1.51 -2.93 116.25 119.21 1tru h VAL 65 Ca -0.04 -2.27 -0.11 0.00 0.82 0.00 0.00 66.70 65.10 1tru h VAL 65 Cb 1.22 2.27 -0.02 0.00 -1.52 0.00 0.00 31.29 33.24 1tru h VAL 65 CO 0.12 0.62 -0.18 0.00 0.02 0.00 0.00 177.57 178.16 1tru h ALA 66 N 1.36 0.91 -0.11 1.67 0.00 -1.45 -0.80 119.26 120.85 1tru h ALA 66 Ca -0.01 -0.35 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 1tru h ALA 66 Cb 1.21 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1tru h ALA 66 CO 0.08 0.62 -0.10 1.03 0.00 0.00 0.00 179.25 180.89 1tru h SER 67 N 0.70 0.27 -0.83 0.00 0.87 -1.39 -1.98 113.55 111.18 1tru h SER 67 Ca 0.11 -0.47 -0.03 0.00 -1.23 0.00 0.00 61.79 60.16 1tru h SER 67 Cb 0.68 -0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.52 1tru h SER 67 CO 0.05 0.69 0.40 -0.08 -0.53 0.00 0.00 176.83 177.36 1tru h GLU 68 N -0.14 1.20 0.00 2.24 4.22 -1.45 -0.26 114.58 120.38 1tru h GLU 68 Ca 0.02 -0.17 0.00 0.00 0.08 0.00 0.00 59.36 59.29 1tru h GLU 68 Cb 0.61 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.64 1tru h GLU 68 CO 0.02 0.92 0.00 0.00 -2.18 0.00 0.00 179.01 177.77 1tru n ALA 69 N -2.42 2.04 -3.27 2.92 0.00 -0.31 -4.86 120.51 114.61 1tru n ALA 69 Ca 0.08 -0.09 -0.23 0.00 0.00 0.00 0.00 53.44 53.20 1tru n ALA 69 Cb 0.14 -1.34 0.01 0.00 0.00 0.00 0.00 19.45 18.26 1tru n ALA 69 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1tru n GLU 70 N -1.35 -3.89 -2.82 0.00 1.02 -0.11 -4.88 120.64 108.61 1tru n GLU 70 Ca 0.08 0.60 -0.43 0.00 -0.02 0.00 0.00 57.16 57.40 1tru n GLU 70 Cb 0.19 -5.36 -0.04 0.00 -0.02 0.00 0.00 31.44 26.21 1tru n GLU 70 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1tru s VAL 71 N -3.01 4.45 -0.15 2.62 1.01 -1.04 -4.85 120.40 119.44 1tru s VAL 71 Ca 0.38 0.66 0.18 0.00 0.00 0.00 0.00 61.98 63.20 1tru s VAL 71 Cb -0.19 -4.45 0.36 0.00 0.00 0.00 0.00 36.38 32.09 1tru s VAL 71 CO 0.46 -0.89 1.22 0.29 0.00 0.00 0.00 175.10 176.19 1tru n LYS 72 N 7.23 1.72 -3.30 2.72 4.76 -1.26 -4.89 118.16 125.13 1tru n LYS 72 Ca 0.05 -2.67 -0.09 0.00 -2.87 0.00 0.00 58.31 52.73 1tru n LYS 72 Cb 0.48 -1.60 -0.06 0.00 -1.84 0.00 0.00 35.03 32.02 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 -2.88 -1.20 0.22 7.82 0.00 -1.26 -5.15 121.76 119.31 1tru s ALA 73 Ca 0.35 0.04 -0.02 0.00 0.00 0.00 0.00 51.96 52.32 1tru s ALA 73 Cb 0.30 -2.14 -0.05 0.00 0.00 0.00 0.00 23.12 21.23 1tru s ALA 73 CO 0.04 -1.86 0.44 0.95 0.00 0.00 0.00 175.76 175.33 1tru s THR 74 N 2.31 5.15 0.46 0.00 -4.23 -1.26 -4.04 115.64 114.03 1tru s THR 74 Ca 0.11 -0.22 -0.20 0.00 -1.18 0.00 0.00 61.69 60.20 1tru s THR 74 Cb -0.12 -3.73 -0.10 0.00 1.34 0.00 0.00 72.50 69.90 1tru s THR 74 CO -0.24 -0.21 0.99 -2.16 -0.54 0.00 0.00 174.62 172.46 1tru s PRO 75 N -3.36 4.01 -0.04 3.99 0.04 -1.26 -5.00 135.00 133.38 1tru s PRO 75 Ca 0.40 1.23 -0.01 0.00 0.04 0.00 0.00 61.00 62.65 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 0.04 0.99 0.04 0.00 0.00 177.00 178.13 1tru s THR 76 N -2.11 0.00 -0.10 1.26 2.01 -0.50 -3.22 115.64 112.99 1tru s THR 76 Ca 0.64 0.32 -0.03 0.00 0.31 0.00 0.00 61.69 62.93 1tru s THR 76 Cb -0.12 -0.21 -0.04 0.00 0.01 0.00 0.00 72.50 72.14 1tru s THR 76 CO 0.17 0.18 0.04 -0.36 -0.69 0.00 0.00 174.62 173.96 1tru s PHE 77 N 1.87 3.27 0.00 4.92 0.40 -1.17 -0.65 117.98 126.63 1tru s PHE 77 Ca 0.02 0.27 0.05 0.00 -0.60 0.00 0.00 56.93 56.67 1tru s PHE 77 Cb -0.12 -1.84 -0.02 0.00 0.51 0.00 0.00 43.02 41.56 1tru s PHE 77 CO -0.03 0.53 -0.16 -0.65 0.70 0.00 0.00 175.22 175.60 1tru s GLN 78 N -0.88 1.25 -0.33 0.44 -0.21 -0.29 -2.29 119.66 117.35 1tru s GLN 78 Ca 0.13 -0.64 -0.09 0.00 0.02 0.00 0.00 55.36 54.79 1tru s GLN 78 Cb -0.12 -1.23 0.02 0.00 1.00 0.00 0.00 33.01 32.68 1tru s GLN 78 CO 0.03 0.33 0.14 -0.06 -2.12 0.00 0.00 175.29 173.61 1tru s PHE 79 N -0.49 3.20 0.31 0.91 0.40 0.93 -0.33 117.98 122.90 1tru s PHE 79 Ca 0.06 -0.96 0.09 0.00 -0.60 0.00 0.00 56.93 55.52 1tru s PHE 79 Cb -0.07 -2.34 -0.04 0.00 0.51 0.00 0.00 43.02 41.08 1tru s PHE 79 CO -0.00 -0.60 0.08 -0.06 0.70 0.00 0.00 175.22 175.34 1tru s PHE 80 N 1.53 2.71 -0.20 0.36 0.08 0.58 -1.08 117.98 121.95 1tru s PHE 80 Ca 0.02 -0.31 -0.11 0.00 0.12 0.00 0.00 56.93 56.65 1tru s PHE 80 Cb -0.18 -1.44 0.06 0.00 -0.57 0.00 0.00 43.02 40.89 1tru s PHE 80 CO 0.05 0.47 0.48 0.21 -0.10 0.00 0.00 175.22 176.32 1tru s LYS 81 N -3.77 0.46 -0.13 0.44 2.47 -0.08 -2.58 119.74 116.56 1tru s LYS 81 Ca 0.35 0.90 0.00 0.00 -1.56 0.00 0.00 55.97 55.66 1tru s LYS 81 Cb -0.04 0.02 0.00 0.00 -1.46 0.00 0.00 37.83 36.35 1tru s LYS 81 CO 0.21 -0.16 0.00 1.63 0.16 0.00 0.00 175.35 177.20 1tru n LYS 82 N 4.30 -1.93 -0.38 4.03 5.02 -1.24 0.89 118.16 128.85 1tru n LYS 82 Ca -0.22 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 1tru n LYS 82 Cb 0.56 -4.05 0.00 0.00 -0.02 0.00 0.00 35.03 31.52 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 0.50 1.47 2.93 0.72 0.00 -1.26 -4.91 105.19 104.64 1tru n GLY 83 Ca -0.01 -0.20 -0.22 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.38 1.18 -0.22 1.61 -0.21 0.26 -5.09 119.66 115.81 1tru s GLN 84 Ca 0.00 -0.21 -0.29 0.00 0.02 0.00 0.00 55.36 54.88 1tru s GLN 84 Cb 0.00 -1.10 -0.03 0.00 1.00 0.00 0.00 33.01 32.87 1tru s GLN 84 CO 0.00 -0.07 1.78 0.21 -2.12 0.00 0.00 175.29 175.09 1tru s LYS 85 N 0.95 3.64 -0.08 2.91 2.20 -1.26 -0.90 119.74 127.19 1tru s LYS 85 Ca -0.10 1.77 0.13 0.00 -0.36 0.00 0.00 55.97 57.40 1tru s LYS 85 Cb -0.15 -4.13 0.38 0.00 -1.51 0.00 0.00 37.83 32.42 1tru s LYS 85 CO 0.00 -1.49 1.30 1.33 -0.36 0.00 0.00 175.35 176.13 1tru n VAL 86 N 6.73 1.60 0.00 4.02 0.24 -0.24 -4.96 118.33 125.71 1tru n VAL 86 Ca 0.21 -1.44 0.00 0.00 -2.04 0.00 0.00 64.34 61.07 1tru n VAL 86 Cb 0.45 0.14 0.00 0.00 -1.47 0.00 0.00 33.84 32.96 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 -0.09 3.31 3.57 7.63 0.00 -1.16 -4.98 105.19 113.46 1tru n GLY 87 Ca 0.15 -0.69 -0.08 0.00 0.00 0.00 0.00 46.02 45.40 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 0.55 -0.28 1.61 -1.05 -1.26 -0.05 118.70 116.21 1tru s GLU 88 Ca 0.00 -0.01 -0.19 0.00 -0.15 0.00 0.00 54.97 54.62 1tru s GLU 88 Cb 0.00 0.26 0.12 0.00 -0.44 0.00 0.00 34.13 34.07 1tru s GLU 88 CO 0.00 -0.20 0.90 -0.59 0.95 0.00 0.00 175.26 176.32 1tru s PHE 89 N -1.77 -0.68 -0.11 4.83 -0.12 -0.97 -4.99 117.98 114.18 1tru s PHE 89 Ca 0.03 1.43 -0.03 0.00 -0.05 0.00 0.00 56.93 58.31 1tru s PHE 89 Cb -0.01 0.41 -0.03 0.00 -0.63 0.00 0.00 43.02 42.76 1tru s PHE 89 CO -0.03 -0.34 0.02 -1.54 -0.05 0.00 0.00 175.22 173.29 1tru s SER 90 N 1.10 5.41 0.00 1.98 1.04 -1.26 -3.02 113.70 118.94 1tru s SER 90 Ca -0.06 0.16 0.00 0.00 0.48 0.00 0.00 55.95 56.54 1tru s SER 90 Cb -0.04 -1.63 0.00 0.00 0.10 0.00 0.00 66.02 64.45 1tru s SER 90 CO -0.13 0.35 0.00 0.61 0.98 0.00 0.00 173.24 175.05 1tru n GLY 91 N 2.37 3.94 2.00 7.32 0.00 -1.20 -4.96 105.19 114.65 1tru n GLY 91 Ca -0.18 -0.70 -0.12 0.00 0.00 0.00 0.00 46.02 45.02 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 -1.28 6.29 -3.28 4.61 0.00 -1.26 -4.67 120.51 120.91 1tru n ALA 92 Ca 0.00 -1.79 -0.41 0.00 0.00 0.00 0.00 53.44 51.25 1tru n ALA 92 Cb 0.00 -2.30 -0.02 0.00 0.00 0.00 0.00 19.45 17.13 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 2.49 5.44 0.11 0.00 4.05 -1.26 -4.85 115.26 121.25 1tru n ASN 93 Ca 0.42 -3.25 0.14 0.00 0.45 0.00 0.00 54.58 52.35 1tru n ASN 93 Cb 0.90 -1.20 0.66 0.00 1.23 0.00 0.00 39.78 41.37 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 5.79 0.03 0.00 1.20 2.10 -1.98 0.20 116.57 123.90 1tru h LYS 94 Ca 0.19 -0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.79 1tru h LYS 94 Cb 0.74 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.05 1tru h LYS 94 CO 1.09 0.02 -0.22 0.93 -2.00 0.00 0.00 179.45 179.27 1tru h GLU 95 N 0.03 0.00 -0.32 0.07 5.08 -1.99 -2.64 114.58 114.81 1tru h GLU 95 Ca 0.14 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.40 1tru h GLU 95 Cb 0.54 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1tru h GLU 95 CO -0.01 0.22 -0.24 -0.22 -1.00 0.00 0.00 179.01 177.77 1tru h LYS 96 N 0.00 0.62 -0.88 2.33 3.64 -1.00 -2.60 116.57 118.68 1tru h LYS 96 Ca -0.00 -0.24 0.25 0.00 -1.27 0.00 0.00 60.65 59.38 1tru h LYS 96 Cb 0.59 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.33 1tru h LYS 96 CO 0.03 0.81 0.63 -0.07 -2.27 0.00 0.00 179.45 178.58 1tru h LEU 97 N 0.55 0.07 0.08 5.20 3.38 -1.47 0.24 115.31 123.36 1tru h LEU 97 Ca 0.08 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1tru h LEU 97 Cb 0.70 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 1tru h LEU 97 CO 0.05 0.03 -0.04 -0.08 0.09 0.00 0.00 178.44 178.49 1tru h GLU 98 N 0.07 -0.10 -0.68 1.13 4.81 -1.60 0.22 114.58 118.43 1tru h GLU 98 Ca 0.43 0.01 0.15 0.00 -0.13 0.00 0.00 59.36 59.82 1tru h GLU 98 Cb 1.59 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.96 1tru h GLU 98 CO -0.04 -0.07 0.47 0.00 -0.73 0.00 0.00 179.01 178.64 1tru h ALA 99 N -1.92 2.27 0.05 2.92 0.00 -1.59 -0.76 119.26 120.24 1tru h ALA 99 Ca -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1tru h ALA 99 Cb 0.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1tru h ALA 99 CO 0.02 -0.46 -0.02 1.15 0.00 0.00 0.00 179.25 179.93 1tru h THR 100 N 0.26 1.29 -0.90 0.00 2.02 -0.94 -2.73 112.91 111.91 1tru h THR 100 Ca 0.33 -1.26 0.06 0.00 0.77 0.00 0.00 66.41 66.31 1tru h THR 100 Cb 0.93 2.10 -0.06 0.00 -1.74 0.00 0.00 68.15 69.39 1tru h THR 100 CO -0.07 0.31 0.58 0.40 0.37 0.00 0.00 175.52 177.11 1tru h ILE 101 N -0.64 1.08 0.00 3.11 2.04 0.18 0.46 117.51 123.74 1tru h ILE 101 Ca -0.01 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1tru h ILE 101 Cb 0.56 -0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1tru h ILE 101 CO 0.01 0.19 0.00 -3.20 0.00 0.00 0.00 178.15 175.15 1tru n ASN 102 N -4.48 0.00 -0.06 1.72 2.85 -0.36 -2.17 115.26 112.76 1tru n ASN 102 Ca 0.13 -0.51 -0.05 0.00 -0.11 0.00 0.00 54.58 54.04 1tru n ASN 102 Cb 0.18 -0.07 -0.04 0.00 1.24 0.00 0.00 39.78 41.08 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 -0.61 1.20 4.81 0.26 -3.35 114.58 116.89 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 0.05 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.43 1tru h GLU 103 CO 0.00 0.34 0.00 1.28 -0.73 0.00 0.00 179.01 179.90 1tru n LEU 104 N -4.71 5.42 0.00 1.64 4.77 -1.21 -5.12 117.00 117.79 1tru n LEU 104 Ca -0.05 -2.75 0.05 0.00 -0.03 0.00 0.00 56.01 53.24 1tru n LEU 104 Cb 0.19 -0.67 0.32 0.00 -2.33 0.00 0.00 43.42 40.92 1tru n LEU 104 CO 0.12 0.62 0.54 0.55 -1.33 0.00 0.00 177.39 177.88