#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 0.10 -0.21 2.03 1.01 -1.26 -3.46 120.40 118.60 1tru s VAL 2 Ca 0.00 -1.55 -0.04 0.00 0.00 0.00 0.00 61.98 60.38 1tru s VAL 2 Cb 0.00 -1.82 0.11 0.00 0.00 0.00 0.00 36.38 34.67 1tru s VAL 2 CO 0.00 -0.44 0.37 -0.75 0.00 0.00 0.00 175.10 174.27 1tru s LYS 3 N -3.98 0.30 -0.21 2.72 2.47 -0.92 -4.97 119.74 115.16 1tru s LYS 3 Ca 0.17 0.70 -0.29 0.00 -1.56 0.00 0.00 55.97 54.99 1tru s LYS 3 Cb 0.05 -0.22 0.01 0.00 -1.46 0.00 0.00 37.83 36.21 1tru s LYS 3 CO -0.02 -0.48 1.02 -1.14 0.16 0.00 0.00 175.35 174.90 1tru s GLN 4 N 2.54 4.28 -0.50 4.03 0.74 -1.26 -2.59 119.66 126.90 1tru s GLN 4 Ca 0.06 1.33 -0.23 0.00 0.05 0.00 0.00 55.36 56.58 1tru s GLN 4 Cb -0.14 -3.62 0.04 0.00 1.10 0.00 0.00 33.01 30.38 1tru s GLN 4 CO -0.14 -0.57 0.83 0.42 -0.55 0.00 0.00 175.29 175.29 1tru s ILE 5 N 2.97 4.57 -0.52 -2.34 -1.09 -1.19 -4.87 121.20 118.73 1tru s ILE 5 Ca 0.44 0.23 0.24 0.00 -2.23 0.00 0.00 60.65 59.33 1tru s ILE 5 Cb -0.16 -4.41 0.03 0.00 -1.58 0.00 0.00 42.46 36.34 1tru s ILE 5 CO 0.08 -0.90 1.22 -0.33 -1.23 0.00 0.00 174.94 173.78 1tru h GLU 6 N 9.12 0.00 -3.02 2.79 4.39 -1.94 -3.42 114.58 122.51 1tru h GLU 6 Ca -0.26 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.43 1tru h GLU 6 Cb 1.08 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.62 1tru h GLU 6 CO 1.02 0.00 0.20 -1.54 -1.16 0.00 0.00 179.01 177.53 1tru s SER 7 N -4.57 -0.52 0.61 1.42 1.04 -1.26 -4.45 113.70 105.98 1tru s SER 7 Ca 0.04 -0.09 0.29 0.00 0.48 0.00 0.00 55.95 56.67 1tru s SER 7 Cb 0.12 0.61 1.54 0.00 0.10 0.00 0.00 66.02 68.40 1tru s SER 7 CO 0.75 -1.01 1.93 0.50 0.98 0.00 0.00 173.24 176.39 1tru h LYS 8 N 2.01 0.00 0.62 4.02 3.64 -1.92 -1.52 116.57 123.42 1tru h LYS 8 Ca -0.32 0.00 -0.03 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 0.36 0.00 -0.34 1.15 -2.27 0.00 0.00 179.45 178.36 1tru h THR 9 N 0.00 0.31 0.00 1.00 2.02 -2.00 -1.88 112.91 112.36 1tru h THR 9 Ca 0.14 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.30 1tru h THR 9 Cb 0.93 0.31 -0.00 0.00 -1.74 0.00 0.00 68.15 67.65 1tru h THR 9 CO -0.00 0.00 -0.06 0.00 0.37 0.00 0.00 175.52 175.83 1tru h ALA 10 N -0.53 1.24 0.58 6.16 0.00 -1.69 -2.73 119.26 122.28 1tru h ALA 10 Ca -0.08 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 1tru h ALA 10 Cb 0.70 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.49 1tru h ALA 10 CO 0.11 0.08 -0.28 0.35 0.00 0.00 0.00 179.25 179.51 1tru h PHE 11 N 0.00 -0.72 -0.03 0.00 3.57 -1.05 0.46 116.94 119.17 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 0.23 0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.20 1tru h PHE 11 CO 0.00 -0.42 0.01 1.96 -2.23 0.00 0.00 178.31 177.63 1tru h GLN 12 N -0.83 0.05 -0.45 1.11 1.08 -1.33 -1.72 115.11 113.01 1tru h GLN 12 Ca -0.08 -0.01 0.03 0.00 -1.45 0.00 0.00 58.65 57.14 1tru h GLN 12 Cb 0.62 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 28.02 1tru h GLN 12 CO 0.13 0.24 0.30 0.93 -0.95 0.00 0.00 178.83 179.49 1tru h GLU 13 N -0.16 0.51 -0.23 1.46 5.08 -1.47 -1.28 114.58 118.49 1tru h GLU 13 Ca 0.01 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.20 1tru h GLU 13 Cb 0.22 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 1tru h GLU 13 CO -0.00 0.34 -0.45 0.00 -1.00 0.00 0.00 179.01 177.90 1tru h ALA 14 N 1.73 0.79 -0.03 3.43 0.00 0.27 0.60 119.26 126.05 1tru h ALA 14 Ca 0.18 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1tru h ALA 14 Cb 0.07 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1tru h ALA 14 CO -0.04 0.66 -0.03 -0.07 0.00 0.00 0.00 179.25 179.77 1tru h LEU 15 N 0.47 0.07 -1.19 0.00 3.38 -0.35 -1.71 115.31 115.98 1tru h LEU 15 Ca 0.03 -0.48 -0.08 0.00 0.09 0.00 0.00 57.88 57.44 1tru h LEU 15 Cb 0.97 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.69 1tru h LEU 15 CO 0.09 0.54 -0.38 -0.78 0.09 0.00 0.00 178.44 178.00 1tru h ASP 16 N -0.39 0.04 0.36 -0.43 1.82 -1.29 -2.48 116.42 114.06 1tru h ASP 16 Ca 0.00 -0.02 -0.11 0.00 -0.39 0.00 0.00 57.03 56.51 1tru h ASP 16 Cb 0.52 -0.01 -0.01 0.00 0.68 0.00 0.00 39.33 40.50 1tru h ASP 16 CO 0.01 0.42 -0.49 0.00 -1.61 0.00 0.00 179.24 177.57 1tru h ALA 17 N 1.58 1.08 -0.46 -0.78 0.00 -0.78 -2.83 119.26 117.06 1tru h ALA 17 Ca 0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 1tru h ALA 17 Cb 0.69 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1tru h ALA 17 CO 0.05 0.63 0.17 0.00 0.00 0.00 0.00 179.25 180.10 1tru h ALA 18 N 1.38 1.42 0.00 0.00 0.00 -0.82 -3.48 119.26 117.77 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 0.91 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1tru h ALA 18 CO 0.07 0.43 0.00 0.41 0.00 0.00 0.00 179.25 180.16 1tru n GLY 19 N -1.09 2.00 0.49 0.00 0.00 -1.07 -3.30 105.19 102.22 1tru n GLY 19 Ca 0.03 -0.54 0.04 0.00 0.00 0.00 0.00 46.02 45.55 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 7.84 2.67 -4.83 1.61 2.03 -1.26 -3.83 116.55 120.77 1tru n ASP 20 Ca 0.00 -1.96 -0.31 0.00 0.52 0.00 0.00 54.79 53.04 1tru n ASP 20 Cb 0.00 -0.17 0.05 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 -0.98 2.95 0.84 -0.67 1.02 -1.21 -4.84 119.74 116.85 1tru s LYS 21 Ca 0.18 0.85 -0.11 0.00 0.02 0.00 0.00 55.97 56.90 1tru s LYS 21 Cb 0.09 -2.00 0.10 0.00 -0.52 0.00 0.00 37.83 35.50 1tru s LYS 21 CO 0.12 -1.06 1.15 -1.17 -0.92 0.00 0.00 175.35 173.47 1tru s LEU 22 N -5.49 3.01 -0.32 3.17 0.20 -1.26 -4.61 118.68 113.37 1tru s LEU 22 Ca 0.58 2.16 0.01 0.00 0.69 0.00 0.00 54.13 57.57 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 0.55 -2.67 0.32 -0.69 -0.29 0.00 0.00 176.35 173.57 1tru s VAL 23 N -2.53 -0.35 -0.31 1.68 1.01 -0.93 -3.13 120.40 115.84 1tru s VAL 23 Ca 0.68 -0.74 -0.13 0.00 0.00 0.00 0.00 61.98 61.79 1tru s VAL 23 Cb -0.23 -0.88 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 1tru s VAL 23 CO 0.54 -0.54 0.25 -0.69 0.00 0.00 0.00 175.10 174.66 1tru s VAL 24 N 1.95 5.27 -0.11 2.92 1.01 -1.04 -0.15 120.40 130.23 1tru s VAL 24 Ca 0.13 0.09 -0.12 0.00 0.00 0.00 0.00 61.98 62.07 1tru s VAL 24 Cb -0.15 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 1tru s VAL 24 CO -0.20 0.11 0.27 -0.69 0.00 0.00 0.00 175.10 174.59 1tru s VAL 25 N 1.82 5.29 -0.28 2.92 1.01 0.53 -2.68 120.40 129.03 1tru s VAL 25 Ca 0.08 0.51 -0.05 0.00 0.00 0.00 0.00 61.98 62.53 1tru s VAL 25 Cb -0.16 -3.58 0.02 0.00 0.00 0.00 0.00 36.38 32.65 1tru s VAL 25 CO 0.11 0.50 0.02 -0.62 0.00 0.00 0.00 175.10 175.11 1tru s ASP 26 N -0.32 4.79 -0.44 3.32 2.15 -0.87 -1.03 116.67 124.28 1tru s ASP 26 Ca 0.17 -0.79 -0.15 0.00 0.43 0.00 0.00 52.55 52.21 1tru s ASP 26 Cb -0.14 -1.79 0.05 0.00 -0.30 0.00 0.00 42.92 40.75 1tru s ASP 26 CO 0.06 -0.17 0.34 -0.36 -0.17 0.00 0.00 175.17 174.87 1tru s PHE 27 N 1.42 3.25 0.19 -5.34 0.08 0.28 -2.91 117.98 114.94 1tru s PHE 27 Ca 0.01 -0.83 -0.04 0.00 0.12 0.00 0.00 56.93 56.19 1tru s PHE 27 Cb -0.17 -2.90 -0.03 0.00 -0.57 0.00 0.00 43.02 39.35 1tru s PHE 27 CO -0.00 -0.71 0.20 -1.54 -0.10 0.00 0.00 175.22 173.06 1tru s SER 28 N 2.17 0.12 -0.59 1.36 1.04 -1.23 -1.50 113.70 115.08 1tru s SER 28 Ca 0.04 -1.21 -0.18 0.00 0.48 0.00 0.00 55.95 55.09 1tru s SER 28 Cb -0.22 0.41 0.12 0.00 0.10 0.00 0.00 66.02 66.42 1tru s SER 28 CO 0.08 -0.88 0.65 0.00 0.98 0.00 0.00 173.24 174.06 1tru s ALA 29 N -4.09 3.51 0.55 5.32 0.00 -1.26 -3.15 121.76 122.64 1tru s ALA 29 Ca 0.30 -2.37 0.25 0.00 0.00 0.00 0.00 51.96 50.14 1tru s ALA 29 Cb 0.05 -3.45 1.44 0.00 0.00 0.00 0.00 23.12 21.16 1tru s ALA 29 CO 0.08 -2.25 2.04 0.00 0.00 0.00 0.00 175.76 175.62 1tru h THR 30 N 5.88 0.69 0.00 0.00 1.03 -1.95 0.22 112.91 118.79 1tru h THR 30 Ca -0.28 0.00 -0.14 0.00 -0.01 0.00 0.00 66.41 65.98 1tru h THR 30 Cb 1.09 0.79 -0.02 0.00 -1.07 0.00 0.00 68.15 68.94 1tru h THR 30 CO 1.07 0.00 -0.67 4.11 -0.01 0.00 0.00 175.52 180.02 1tru h TRP 31 N 0.00 0.00 -3.95 0.00 5.08 -2.02 -3.45 115.95 111.61 1tru h TRP 31 Ca 0.17 0.00 -0.48 0.00 1.08 0.00 0.00 58.89 59.67 1tru h TRP 31 Cb 0.76 0.00 0.16 0.00 -3.00 0.00 0.00 29.16 27.08 1tru h TRP 31 CO 0.00 0.67 0.21 0.00 -1.28 0.00 0.00 178.44 178.04 1tru n GLY 33 N -0.73 -0.36 0.34 0.00 0.00 -1.26 -4.02 105.19 99.16 1tru n GLY 33 Ca 0.07 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 0.00 0.00 0.00 1.61 0.11 -1.96 -0.71 132.00 131.05 1tru h PRO 34 Ca 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 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 -0.11 0.00 -0.21 0.00 0.00 178.00 177.68 1tru n LYS 36 N -4.67 0.10 0.18 0.00 4.81 -0.67 -2.14 118.16 115.78 1tru n LYS 36 Ca -0.07 0.24 0.14 0.00 -0.87 0.00 0.00 58.31 57.74 1tru n LYS 36 Cb 0.29 -1.50 0.60 0.00 0.02 0.00 0.00 35.03 34.45 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 -0.92 1.64 4.05 -1.21 -2.48 114.93 116.01 1tru h MET 37 Ca 0.00 0.00 -0.37 0.00 -0.28 0.00 0.00 59.70 59.05 1tru h MET 37 Cb 0.12 0.00 -0.22 0.00 -0.80 0.00 0.00 31.60 30.70 1tru h MET 37 CO 0.00 0.00 0.47 -0.89 0.23 0.00 0.00 176.91 176.72 1tru n ILE 38 N -2.49 2.87 0.05 1.77 5.41 -0.91 -4.39 119.36 121.67 1tru n ILE 38 Ca 0.01 -1.61 0.02 0.00 1.00 0.00 0.00 62.75 62.17 1tru n ILE 38 Cb 0.20 -0.48 -0.06 0.00 -0.71 0.00 0.00 39.64 38.59 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 1.44 0.00 0.00 0.38 2.10 -1.68 -3.32 116.57 115.48 1tru h LYS 39 Ca 0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.10 1tru h LYS 39 Cb 2.50 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.83 1tru h LYS 39 CO 0.88 0.25 0.00 -0.35 -2.00 0.00 0.00 179.45 178.23 1tru n PRO 40 N -2.88 0.49 0.00 0.07 -0.05 -1.26 -2.37 135.00 129.01 1tru n PRO 40 Ca -0.07 0.00 -0.00 0.00 -0.05 0.00 0.00 63.50 63.38 1tru n PRO 40 Cb 0.78 -1.17 -0.00 0.00 -0.05 0.00 0.00 33.50 33.05 1tru n PRO 40 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 175.50 176.64 1tru n PHE 41 N -0.67 0.00 0.47 0.54 3.72 -1.25 -4.34 117.46 115.93 1tru n PHE 41 Ca 0.04 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.26 1tru n PHE 41 Cb 0.02 -0.03 -0.09 0.00 -0.94 0.00 0.00 39.48 38.44 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 -0.05 -1.12 0.00 1.38 3.57 -1.66 -2.05 116.94 117.01 1tru h PHE 42 Ca 0.00 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.47 1tru h PHE 42 Cb 0.05 0.37 0.00 0.00 2.79 0.00 0.00 35.95 39.16 1tru h PHE 42 CO -0.02 -0.69 0.00 1.58 -2.23 0.00 0.00 178.31 176.94 1tru n HIS 43 N -5.32 0.00 0.01 0.41 -0.00 -1.00 -2.28 115.22 107.04 1tru n HIS 43 Ca -0.15 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 57.95 1tru n HIS 43 Cb 0.47 -0.16 -0.13 0.00 -0.12 0.00 0.00 29.99 30.05 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 0.02 0.26 0.87 -1.37 -3.29 113.55 110.04 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 0.06 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 1tru h SER 44 CO 0.00 0.98 0.00 0.18 -0.53 0.00 0.00 176.83 177.46 1tru n LEU 45 N -3.13 0.00 -0.37 2.23 4.77 -0.97 -2.10 117.00 117.43 1tru n LEU 45 Ca -0.11 0.48 0.03 0.00 -0.03 0.00 0.00 56.01 56.38 1tru n LEU 45 Cb 1.01 -0.48 0.18 0.00 -2.33 0.00 0.00 43.42 41.80 1tru n LEU 45 CO 0.45 -0.47 1.26 0.28 -1.33 0.00 0.00 177.39 177.58 1tru h SER 46 N 0.00 1.02 1.00 -1.43 0.02 -1.75 0.47 113.55 112.88 1tru h SER 46 Ca 0.00 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.93 1tru h SER 46 Cb 0.01 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.34 1tru h SER 46 CO 0.00 0.64 -1.02 -0.33 -1.14 0.00 0.00 176.83 174.97 1tru h GLU 47 N 1.15 0.00 0.00 3.45 4.39 -1.71 -3.35 114.58 118.51 1tru h GLU 47 Ca 0.44 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.13 1tru h GLU 47 Cb 0.22 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1tru h GLU 47 CO -0.19 0.07 -0.28 -0.22 -1.16 0.00 0.00 179.01 177.22 1tru h LYS 48 N 0.00 0.00 -3.57 2.33 3.11 -1.38 -3.42 116.57 113.65 1tru h LYS 48 Ca -0.03 0.00 -0.74 0.00 -2.81 0.00 0.00 60.65 57.06 1tru h LYS 48 Cb 1.12 0.00 -0.31 0.00 -1.00 0.00 0.00 32.23 32.04 1tru h LYS 48 CO 0.01 0.12 -0.00 0.71 -2.81 0.00 0.00 179.45 177.48 1tru s TYR 49 N -1.92 3.81 -1.40 1.91 2.02 0.16 -4.87 117.35 117.05 1tru s TYR 49 Ca -0.09 -2.60 0.17 0.00 -0.37 0.00 0.00 57.07 54.17 1tru s TYR 49 Cb 0.01 -3.51 0.83 0.00 -0.40 0.00 0.00 41.96 38.89 1tru s TYR 49 CO 0.17 -0.87 1.48 -1.13 -1.57 0.00 0.00 175.55 173.63 1tru n SER 50 N 3.14 0.00 -2.20 2.29 3.41 -1.26 -2.76 113.62 116.25 1tru n SER 50 Ca 0.16 0.08 -0.25 0.00 -0.26 0.00 0.00 58.87 58.60 1tru n SER 50 Cb 0.40 -0.30 0.16 0.00 -0.26 0.00 0.00 64.21 64.21 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 -1.30 4.40 -4.05 4.04 5.15 -1.26 -4.64 115.26 117.60 1tru n ASN 51 Ca 0.08 -3.57 -0.18 0.00 -0.60 0.00 0.00 54.58 50.30 1tru n ASN 51 Cb 0.14 -0.85 -0.14 0.00 -0.53 0.00 0.00 39.78 38.39 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 0.77 -0.34 3.44 1.01 -1.11 -4.73 120.40 116.02 1tru s VAL 52 Ca 0.56 -0.55 -0.14 0.00 0.00 0.00 0.00 61.98 61.85 1tru s VAL 52 Cb 0.46 -0.67 -0.01 0.00 0.00 0.00 0.00 36.38 36.16 1tru s VAL 52 CO 0.09 0.12 0.31 -0.63 0.00 0.00 0.00 175.10 174.98 1tru s ILE 53 N -0.42 5.22 -0.17 2.22 -1.09 -1.18 -4.44 121.20 121.33 1tru s ILE 53 Ca 0.02 -0.09 -0.04 0.00 -2.23 0.00 0.00 60.65 58.31 1tru s ILE 53 Cb -0.05 -3.78 -0.03 0.00 -1.58 0.00 0.00 42.46 37.02 1tru s ILE 53 CO -0.00 -0.07 -0.03 -0.36 -1.23 0.00 0.00 174.94 173.25 1tru s PHE 54 N 1.88 3.03 -0.12 3.97 0.08 -1.22 -2.51 117.98 123.09 1tru s PHE 54 Ca 0.09 -0.35 -0.02 0.00 0.12 0.00 0.00 56.93 56.77 1tru s PHE 54 Cb -0.17 -1.99 -0.03 0.00 -0.57 0.00 0.00 43.02 40.26 1tru s PHE 54 CO 0.11 -0.10 -0.04 -0.51 -0.10 0.00 0.00 175.22 174.59 1tru s LEU 55 N 0.54 3.31 -0.37 -0.37 1.02 -1.09 -2.17 118.68 119.54 1tru s LEU 55 Ca -0.03 -0.04 -0.03 0.00 0.02 0.00 0.00 54.13 54.05 1tru s LEU 55 Cb -0.14 -1.77 0.09 0.00 0.02 0.00 0.00 46.19 44.39 1tru s LEU 55 CO 0.03 0.26 0.14 -0.70 0.02 0.00 0.00 176.35 176.10 1tru s GLU 56 N -0.21 2.19 -0.18 1.70 2.12 -1.07 -2.04 118.70 121.21 1tru s GLU 56 Ca 0.04 -1.60 -0.07 0.00 0.36 0.00 0.00 54.97 53.70 1tru s GLU 56 Cb -0.13 -3.47 -0.04 0.00 0.26 0.00 0.00 34.13 30.76 1tru s GLU 56 CO 0.02 -0.91 0.04 0.08 -0.54 0.00 0.00 175.26 173.96 1tru s VAL 57 N 1.20 4.59 -0.33 3.70 1.01 -1.15 -3.16 120.40 126.26 1tru s VAL 57 Ca 0.04 -0.11 -0.15 0.00 0.00 0.00 0.00 61.98 61.76 1tru s VAL 57 Cb -0.22 -3.06 -0.02 0.00 0.00 0.00 0.00 36.38 33.09 1tru s VAL 57 CO -0.03 0.46 0.38 -0.62 0.00 0.00 0.00 175.10 175.29 1tru s ASP 58 N 0.41 6.20 0.00 3.32 2.15 -1.26 -3.49 116.67 124.00 1tru s ASP 58 Ca 0.02 -0.10 0.02 0.00 0.43 0.00 0.00 52.55 52.92 1tru s ASP 58 Cb -0.13 -2.20 0.11 0.00 -0.30 0.00 0.00 42.92 40.40 1tru s ASP 58 CO 0.01 -0.31 0.39 1.33 -0.17 0.00 0.00 175.17 176.42 1tru n VAL 59 N 5.23 0.00 -0.05 1.11 0.24 -1.19 -0.94 118.33 122.73 1tru n VAL 59 Ca -0.09 0.00 -0.07 0.00 -2.04 0.00 0.00 64.34 62.15 1tru n VAL 59 Cb 0.50 -0.63 -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 3.22 -0.01 -1.34 9.92 -1.26 -4.31 116.55 122.07 1tru n ASP 60 Ca 0.01 -0.05 -0.21 0.00 -0.53 0.00 0.00 54.79 54.01 1tru n ASP 60 Cb 0.01 -0.16 -0.14 0.00 -0.64 0.00 0.00 41.12 40.20 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 0.34 -1.92 -2.24 3.58 -1.82 -3.37 116.42 110.98 1tru h ASP 61 Ca -0.22 -0.83 -0.74 0.00 0.42 0.00 0.00 57.03 55.66 1tru h ASP 61 Cb 1.34 -0.11 -0.30 0.00 1.72 0.00 0.00 39.33 41.98 1tru h ASP 61 CO -0.04 1.62 0.74 0.00 -2.88 0.00 0.00 179.24 178.69 1tru n ALA 62 N -3.01 6.25 0.10 -0.78 0.00 -0.12 -4.72 120.51 118.24 1tru n ALA 62 Ca -0.26 -4.17 0.06 0.00 0.00 0.00 0.00 53.44 49.07 1tru n ALA 62 Cb 0.89 -1.74 0.32 0.00 0.00 0.00 0.00 19.45 18.92 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 -0.52 0.08 -0.03 0.00 10.64 -1.26 -1.01 117.38 125.28 1tru n GLN 63 Ca 0.51 0.55 -0.17 0.00 -1.83 0.00 0.00 57.00 56.06 1tru n GLN 63 Cb 0.31 -1.82 -0.06 0.00 -0.86 0.00 0.00 30.24 27.80 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 0.96 0.71 2.61 3.04 -1.93 -2.27 116.42 119.54 1tru h ASP 64 Ca 0.00 -0.61 -0.17 0.00 -3.24 0.00 0.00 57.03 53.01 1tru h ASP 64 Cb 0.14 -0.28 -0.02 0.00 -1.04 0.00 0.00 39.33 38.13 1tru h ASP 64 CO 0.00 1.41 -0.79 0.58 -2.04 0.00 0.00 179.24 178.40 1tru h VAL 65 N 0.57 1.53 -0.52 4.15 2.07 -1.45 -2.73 116.25 119.88 1tru h VAL 65 Ca -0.04 -2.62 -0.12 0.00 0.82 0.00 0.00 66.70 64.75 1tru h VAL 65 Cb 1.36 2.42 -0.02 0.00 -1.52 0.00 0.00 31.29 33.54 1tru h VAL 65 CO 0.15 0.75 -0.13 0.00 0.02 0.00 0.00 177.57 178.36 1tru h ALA 66 N 1.16 0.78 -0.24 1.67 0.00 -1.45 -1.10 119.26 120.08 1tru h ALA 66 Ca -0.02 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.44 1tru h ALA 66 Cb 1.39 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1tru h ALA 66 CO 0.11 0.67 -0.24 1.03 0.00 0.00 0.00 179.25 180.81 1tru h SER 67 N 0.87 0.63 -0.28 0.00 0.87 -1.38 -1.02 113.55 113.24 1tru h SER 67 Ca 0.13 -0.47 -0.01 0.00 -1.23 0.00 0.00 61.79 60.21 1tru h SER 67 Cb 0.69 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.46 1tru h SER 67 CO 0.05 0.97 0.13 -0.08 -0.53 0.00 0.00 176.83 177.38 1tru h GLU 68 N 0.30 0.40 0.00 2.24 4.22 -1.40 -1.05 114.58 119.29 1tru h GLU 68 Ca 0.04 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.42 1tru h GLU 68 Cb 0.80 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.98 1tru h GLU 68 CO 0.06 0.40 0.00 0.00 -2.18 0.00 0.00 179.01 177.29 1tru n ALA 69 N -2.24 2.22 -3.81 2.92 0.00 -0.42 -4.87 120.51 114.30 1tru n ALA 69 Ca -0.02 -0.12 -0.26 0.00 0.00 0.00 0.00 53.44 53.04 1tru n ALA 69 Cb 0.11 -1.36 0.03 0.00 0.00 0.00 0.00 19.45 18.23 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 -1.16 -5.26 -2.78 0.00 1.02 -0.40 -4.88 120.64 107.18 1tru n GLU 70 Ca 0.13 0.61 -0.43 0.00 -0.02 0.00 0.00 57.16 57.46 1tru n GLU 70 Cb 0.13 -5.33 -0.04 0.00 -0.02 0.00 0.00 31.44 26.18 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 -3.49 4.22 -0.16 2.62 1.01 -0.50 -4.81 120.40 119.29 1tru s VAL 71 Ca 0.34 0.09 0.18 0.00 0.00 0.00 0.00 61.98 62.59 1tru s VAL 71 Cb -0.17 -4.68 0.40 0.00 0.00 0.00 0.00 36.38 31.94 1tru s VAL 71 CO 0.82 -1.40 1.28 0.29 0.00 0.00 0.00 175.10 176.09 1tru n LYS 72 N 7.98 2.07 -3.30 2.72 4.76 -1.26 -4.86 118.16 126.26 1tru n LYS 72 Ca 0.00 -2.70 -0.10 0.00 -2.87 0.00 0.00 58.31 52.64 1tru n LYS 72 Cb 0.47 -1.66 -0.05 0.00 -1.84 0.00 0.00 35.03 31.95 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 -2.84 -1.14 0.22 7.82 0.00 -1.26 -5.15 121.76 119.41 1tru s ALA 73 Ca 0.37 -0.49 -0.02 0.00 0.00 0.00 0.00 51.96 51.82 1tru s ALA 73 Cb 0.31 -2.29 -0.04 0.00 0.00 0.00 0.00 23.12 21.10 1tru s ALA 73 CO 0.06 -2.14 0.43 0.95 0.00 0.00 0.00 175.76 175.05 1tru s THR 74 N 1.65 5.16 0.46 0.00 -4.23 -1.26 -4.05 115.64 113.38 1tru s THR 74 Ca 0.16 -0.26 -0.21 0.00 -1.18 0.00 0.00 61.69 60.20 1tru s THR 74 Cb -0.11 -3.73 -0.10 0.00 1.34 0.00 0.00 72.50 69.90 1tru s THR 74 CO -0.06 -0.20 1.00 -2.16 -0.54 0.00 0.00 174.62 172.66 1tru s PRO 75 N -3.35 4.00 -0.03 3.99 0.04 -1.26 -5.03 135.00 133.36 1tru s PRO 75 Ca 0.40 1.25 -0.00 0.00 0.04 0.00 0.00 61.00 62.69 1tru s PRO 75 Cb -0.11 -2.13 0.03 0.00 0.04 0.00 0.00 34.50 32.32 1tru s PRO 75 CO 0.29 -0.25 0.02 0.99 0.04 0.00 0.00 177.00 178.09 1tru s THR 76 N -2.07 0.03 -0.17 1.26 2.01 -0.57 -3.52 115.64 112.61 1tru s THR 76 Ca 0.65 0.19 -0.04 0.00 0.31 0.00 0.00 61.69 62.80 1tru s THR 76 Cb -0.13 -0.16 -0.02 0.00 0.01 0.00 0.00 72.50 72.20 1tru s THR 76 CO 0.17 0.12 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.82 1tru s PHE 77 N 1.17 3.00 0.04 4.92 0.08 -1.09 -0.56 117.98 125.54 1tru s PHE 77 Ca -0.08 -0.44 0.07 0.00 0.12 0.00 0.00 56.93 56.61 1tru s PHE 77 Cb -0.13 -2.00 -0.03 0.00 -0.57 0.00 0.00 43.02 40.29 1tru s PHE 77 CO -0.03 -0.16 -0.19 -0.65 -0.10 0.00 0.00 175.22 174.10 1tru s GLN 78 N 0.65 2.04 -0.36 0.44 -0.21 -0.20 -1.88 119.66 120.14 1tru s GLN 78 Ca -0.02 -1.00 -0.05 0.00 0.02 0.00 0.00 55.36 54.30 1tru s GLN 78 Cb -0.14 -2.17 0.06 0.00 1.00 0.00 0.00 33.01 31.76 1tru s GLN 78 CO 0.02 0.54 0.13 -0.06 -2.12 0.00 0.00 175.29 173.80 1tru s PHE 79 N -0.92 3.33 0.22 0.91 0.40 0.78 -0.34 117.98 122.35 1tru s PHE 79 Ca 0.14 -1.69 0.07 0.00 -0.60 0.00 0.00 56.93 54.86 1tru s PHE 79 Cb -0.10 -2.53 -0.04 0.00 0.51 0.00 0.00 43.02 40.86 1tru s PHE 79 CO 0.05 -0.81 0.11 -0.06 0.70 0.00 0.00 175.22 175.21 1tru s PHE 80 N 1.34 2.99 -0.21 0.36 0.08 0.78 -1.43 117.98 121.89 1tru s PHE 80 Ca 0.00 -0.11 -0.13 0.00 0.12 0.00 0.00 56.93 56.80 1tru s PHE 80 Cb -0.21 -1.38 0.06 0.00 -0.57 0.00 0.00 43.02 40.92 1tru s PHE 80 CO 0.01 0.54 0.52 0.21 -0.10 0.00 0.00 175.22 176.40 1tru s LYS 81 N -3.46 0.54 -0.40 0.44 2.20 -0.49 -2.20 119.74 116.38 1tru s LYS 81 Ca 0.31 0.90 0.00 0.00 -0.36 0.00 0.00 55.97 56.82 1tru s LYS 81 Cb -0.08 0.10 0.00 0.00 -1.51 0.00 0.00 37.83 36.34 1tru s LYS 81 CO 0.22 -0.13 0.00 1.63 -0.36 0.00 0.00 175.35 176.71 1tru n LYS 82 N 3.91 -1.80 -0.77 4.03 5.02 -1.25 0.78 118.16 128.09 1tru n LYS 82 Ca -0.20 0.44 0.00 0.00 -2.02 0.00 0.00 58.31 56.53 1tru n LYS 82 Cb 0.57 -4.32 0.00 0.00 -0.02 0.00 0.00 35.03 31.25 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 0.37 1.05 2.90 0.72 0.00 -1.26 -4.98 105.19 104.00 1tru n GLY 83 Ca -0.04 -0.45 -0.22 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.87 1.07 -0.14 1.61 -0.21 0.23 -5.10 119.66 115.25 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 -1.07 -0.05 0.00 1.00 0.00 0.00 33.01 32.90 1tru s GLN 84 CO 0.00 -0.11 1.73 0.21 -2.12 0.00 0.00 175.29 175.00 1tru s LYS 85 N 1.11 3.88 0.00 2.91 2.20 -1.26 -1.39 119.74 127.18 1tru s LYS 85 Ca -0.08 1.97 0.11 0.00 -0.36 0.00 0.00 55.97 57.62 1tru s LYS 85 Cb -0.14 -4.07 0.08 0.00 -1.51 0.00 0.00 37.83 32.18 1tru s LYS 85 CO -0.01 -1.21 0.83 1.33 -0.36 0.00 0.00 175.35 175.93 1tru n VAL 86 N 6.17 0.00 0.00 4.02 0.24 -0.52 -4.97 118.33 123.28 1tru n VAL 86 Ca 0.20 -0.48 0.00 0.00 -2.04 0.00 0.00 64.34 62.01 1tru n VAL 86 Cb 0.44 1.22 0.00 0.00 -1.47 0.00 0.00 33.84 34.03 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 0.68 1.33 3.57 7.63 0.00 -1.16 -5.01 105.19 112.23 1tru n GLY 87 Ca 0.06 -0.69 -0.08 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 -2.00 0.51 -0.28 1.61 -1.05 -1.26 -0.16 118.70 116.06 1tru s GLU 88 Ca 0.00 -0.02 -0.21 0.00 -0.15 0.00 0.00 54.97 54.59 1tru s GLU 88 Cb 0.00 0.24 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 0.00 175.26 176.36 1tru s PHE 89 N -1.77 -0.62 -0.14 4.83 -0.12 -0.79 -4.99 117.98 114.38 1tru s PHE 89 Ca 0.03 1.39 -0.04 0.00 -0.05 0.00 0.00 56.93 58.26 1tru s PHE 89 Cb -0.01 0.38 -0.03 0.00 -0.63 0.00 0.00 43.02 42.73 1tru s PHE 89 CO -0.03 -0.30 -0.00 -1.54 -0.05 0.00 0.00 175.22 173.29 1tru s SER 90 N 0.74 5.14 0.00 1.98 1.04 -1.26 -2.69 113.70 118.65 1tru s SER 90 Ca -0.02 0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.42 1tru s SER 90 Cb -0.05 -1.70 0.00 0.00 0.10 0.00 0.00 66.02 64.37 1tru s SER 90 CO -0.09 0.25 0.00 0.61 0.98 0.00 0.00 173.24 174.98 1tru n GLY 91 N 3.02 3.90 2.15 7.32 0.00 -1.23 -4.97 105.19 115.38 1tru n GLY 91 Ca -0.18 -0.64 -0.23 0.00 0.00 0.00 0.00 46.02 44.97 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 -1.23 6.85 -3.47 4.61 0.00 -1.26 -4.76 120.51 121.26 1tru n ALA 92 Ca 0.00 -2.57 -0.42 0.00 0.00 0.00 0.00 53.44 50.44 1tru n ALA 92 Cb 0.00 -2.72 -0.04 0.00 0.00 0.00 0.00 19.45 16.69 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 1.96 6.51 0.44 0.00 3.04 -1.26 -4.88 114.94 120.75 1tru s ASN 93 Ca 0.67 -3.23 0.10 0.00 0.04 0.00 0.00 52.86 50.44 1tru s ASN 93 Cb 0.27 -2.08 0.96 0.00 -1.54 0.00 0.00 41.25 38.85 1tru s ASN 93 CO -0.03 -0.36 2.07 0.07 -3.04 0.00 0.00 177.10 175.80 1tru h LYS 94 N 6.92 0.36 0.00 0.43 -0.00 -1.98 -0.99 116.57 121.31 1tru h LYS 94 Ca 0.12 -0.03 -0.06 0.00 -0.00 0.00 0.00 60.65 60.68 1tru h LYS 94 Cb 0.92 -0.08 -0.01 0.00 -0.00 0.00 0.00 32.23 33.07 1tru h LYS 94 CO 0.85 0.26 -0.30 0.93 -0.00 0.00 0.00 179.45 181.19 1tru h GLU 95 N 0.37 0.00 -0.49 0.07 5.08 -2.00 -2.87 114.58 114.73 1tru h GLU 95 Ca 0.10 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.33 1tru h GLU 95 Cb 0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 1tru h GLU 95 CO -0.02 0.30 -0.18 -0.22 -1.00 0.00 0.00 179.01 177.90 1tru h LYS 96 N 0.00 0.98 -0.99 2.33 3.64 -1.59 -2.89 116.57 118.06 1tru h LYS 96 Ca -0.00 -0.40 0.19 0.00 -1.27 0.00 0.00 60.65 59.17 1tru h LYS 96 Cb 0.64 -0.05 -0.10 0.00 -0.41 0.00 0.00 32.23 32.31 1tru h LYS 96 CO 0.04 1.07 0.61 -0.07 -2.27 0.00 0.00 179.45 178.84 1tru h LEU 97 N 0.86 0.70 0.42 5.20 3.38 -1.47 0.28 115.31 124.67 1tru h LEU 97 Ca 0.12 0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 1tru h LEU 97 Cb 0.75 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.46 1tru h LEU 97 CO 0.06 0.26 -0.20 -0.08 0.09 0.00 0.00 178.44 178.56 1tru h GLU 98 N 0.69 -0.54 -0.73 1.13 4.22 -1.61 0.18 114.58 117.91 1tru h GLU 98 Ca 0.56 0.04 0.15 0.00 0.08 0.00 0.00 59.36 60.19 1tru h GLU 98 Cb 0.97 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 30.29 1tru h GLU 98 CO -0.33 -0.36 0.49 0.00 -2.18 0.00 0.00 179.01 176.63 1tru h ALA 99 N -1.57 2.19 0.02 2.92 0.00 -1.45 -0.90 119.26 120.47 1tru h ALA 99 Ca -0.06 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1tru h ALA 99 Cb 0.43 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1tru h ALA 99 CO 0.09 -0.39 -0.01 1.15 0.00 0.00 0.00 179.25 180.09 1tru h THR 100 N 0.35 1.38 -0.95 0.00 2.02 -0.37 -2.68 112.91 112.65 1tru h THR 100 Ca 0.36 -1.32 0.07 0.00 0.77 0.00 0.00 66.41 66.29 1tru h THR 100 Cb 0.90 2.26 -0.07 0.00 -1.74 0.00 0.00 68.15 69.50 1tru h THR 100 CO -0.10 0.33 0.61 0.40 0.37 0.00 0.00 175.52 177.13 1tru h ILE 101 N -0.61 1.06 0.00 3.11 2.04 0.11 0.49 117.51 123.72 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 0.57 -0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 1tru h ILE 101 CO 0.01 0.20 0.00 -3.20 0.00 0.00 0.00 178.15 175.16 1tru n ASN 102 N -4.55 0.00 -0.06 1.72 5.15 -0.41 -2.10 115.26 115.01 1tru n ASN 102 Ca 0.15 -0.39 -0.07 0.00 -0.60 0.00 0.00 54.58 53.67 1tru n ASN 102 Cb 0.19 -0.12 -0.05 0.00 -0.53 0.00 0.00 39.78 39.27 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 0.35 -3.35 114.58 116.96 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 0.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.46 1tru h GLU 103 CO 0.00 0.41 0.00 1.28 -0.73 0.00 0.00 179.01 179.97 1tru n LEU 104 N -4.69 5.07 0.00 1.64 4.77 -1.18 -5.12 117.00 117.49 1tru n LEU 104 Ca -0.06 -2.57 0.06 0.00 -0.03 0.00 0.00 56.01 53.41 1tru n LEU 104 Cb 0.23 -0.64 0.34 0.00 -2.33 0.00 0.00 43.42 41.02 1tru n LEU 104 CO 0.14 0.64 0.56 0.55 -1.33 0.00 0.00 177.39 177.95