#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 0.15 -0.19 2.03 1.01 -1.26 -3.12 120.40 119.01 1tru s VAL 2 Ca 0.00 -1.21 -0.06 0.00 0.00 0.00 0.00 61.98 60.71 1tru s VAL 2 Cb 0.00 -1.17 0.09 0.00 0.00 0.00 0.00 36.38 35.30 1tru s VAL 2 CO 0.00 -0.67 0.39 -0.75 0.00 0.00 0.00 175.10 174.07 1tru s LYS 3 N -3.30 0.30 -0.11 2.72 2.20 -1.13 -5.00 119.74 115.41 1tru s LYS 3 Ca 0.01 0.90 -0.29 0.00 -0.36 0.00 0.00 55.97 56.23 1tru s LYS 3 Cb 0.03 0.14 -0.01 0.00 -1.51 0.00 0.00 37.83 36.47 1tru s LYS 3 CO -0.08 -0.32 0.98 -1.14 -0.36 0.00 0.00 175.35 174.43 1tru s GLN 4 N 2.57 4.41 -0.37 4.03 0.74 -1.26 -2.96 119.66 126.82 1tru s GLN 4 Ca 0.01 1.34 -0.22 0.00 0.05 0.00 0.00 55.36 56.54 1tru s GLN 4 Cb -0.13 -3.54 0.01 0.00 1.10 0.00 0.00 33.01 30.45 1tru s GLN 4 CO -0.13 -0.30 0.72 0.42 -0.55 0.00 0.00 175.29 175.45 1tru s ILE 5 N 1.98 4.79 -0.44 -2.34 -1.09 -1.20 -4.90 121.20 118.00 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 -4.16 -0.00 0.00 -1.58 0.00 0.00 42.46 36.54 1tru s ILE 5 CO 0.17 -0.41 1.14 -0.62 -1.23 0.00 0.00 174.94 173.99 1tru n GLU 6 N 6.28 0.44 -3.44 2.79 1.02 -1.26 -4.64 120.64 121.83 1tru n GLU 6 Ca 0.01 0.09 -0.12 0.00 -0.02 0.00 0.00 57.16 57.12 1tru n GLU 6 Cb 0.48 -1.74 -0.02 0.00 -0.02 0.00 0.00 31.44 30.14 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 -4.71 -0.54 0.57 1.62 1.04 -1.26 -4.52 113.70 105.89 1tru s SER 7 Ca 0.03 0.00 0.27 0.00 0.48 0.00 0.00 55.95 56.73 1tru s SER 7 Cb 0.12 0.59 1.49 0.00 0.10 0.00 0.00 66.02 68.32 1tru s SER 7 CO 0.77 -0.94 1.99 0.50 0.98 0.00 0.00 173.24 176.53 1tru h LYS 8 N 2.08 0.00 0.32 4.02 3.64 -1.93 -1.55 116.57 123.15 1tru h LYS 8 Ca -0.34 0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.03 1tru h LYS 8 Cb 1.30 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.11 1tru h LYS 8 CO 0.39 0.00 -0.21 1.15 -2.27 0.00 0.00 179.45 178.51 1tru h THR 9 N 0.00 0.57 0.00 1.00 2.02 -2.01 -1.37 112.91 113.11 1tru h THR 9 Ca 0.20 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.36 1tru h THR 9 Cb 0.94 0.57 -0.00 0.00 -1.74 0.00 0.00 68.15 67.91 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 0.14 1.32 -0.07 6.16 0.00 -1.70 -2.73 119.26 122.39 1tru h ALA 10 Ca -0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1tru h ALA 10 Cb 0.43 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1tru h ALA 10 CO 0.02 0.09 0.04 0.35 0.00 0.00 0.00 179.25 179.75 1tru h PHE 11 N 0.00 0.09 0.32 0.00 3.57 -0.95 0.61 116.94 120.59 1tru h PHE 11 Ca -0.00 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.48 1tru h PHE 11 Cb 0.22 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.93 1tru h PHE 11 CO 0.00 0.13 -0.15 1.96 -2.23 0.00 0.00 178.31 178.01 1tru h GLN 12 N 0.03 -0.42 -0.11 1.11 4.20 -1.21 -2.41 115.11 116.30 1tru h GLN 12 Ca 0.02 0.03 0.03 0.00 0.06 0.00 0.00 58.65 58.79 1tru h GLN 12 Cb 0.07 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.94 1tru h GLN 12 CO -0.00 -0.17 0.10 0.93 -0.67 0.00 0.00 178.83 179.02 1tru h GLU 13 N -0.60 0.00 -0.36 1.46 4.39 -1.50 -1.30 114.58 116.67 1tru h GLU 13 Ca -0.04 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.49 1tru h GLU 13 Cb 0.44 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.08 1tru h GLU 13 CO 0.07 0.00 -0.42 0.00 -1.16 0.00 0.00 179.01 177.50 1tru h ALA 14 N 1.90 0.54 -0.28 3.43 0.00 -0.40 -0.41 119.26 124.03 1tru h ALA 14 Ca 0.05 -0.47 -0.11 0.00 0.00 0.00 0.00 54.91 54.38 1tru h ALA 14 Cb 0.26 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1tru h ALA 14 CO -0.00 0.67 -0.26 -0.07 0.00 0.00 0.00 179.25 179.59 1tru h LEU 15 N 0.73 0.71 -0.71 0.00 3.38 -0.80 -1.32 115.31 117.30 1tru h LEU 15 Ca 0.05 -0.47 -0.11 0.00 0.09 0.00 0.00 57.88 57.44 1tru h LEU 15 Cb 1.02 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1tru h LEU 15 CO 0.10 1.03 -0.24 -0.78 0.09 0.00 0.00 178.44 178.65 1tru h ASP 16 N 0.40 0.75 0.62 -0.43 3.58 -1.41 -2.57 116.42 117.36 1tru h ASP 16 Ca 0.05 -0.27 -0.08 0.00 0.42 0.00 0.00 57.03 57.14 1tru h ASP 16 Cb 0.82 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.66 1tru h ASP 16 CO 0.07 0.96 -0.39 0.00 -2.88 0.00 0.00 179.24 177.00 1tru h ALA 17 N 1.09 1.13 -0.41 -0.78 0.00 -0.98 -2.78 119.26 116.53 1tru h ALA 17 Ca 0.09 -0.35 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1tru h ALA 17 Cb 0.74 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1tru h ALA 17 CO 0.06 0.48 0.13 0.00 0.00 0.00 0.00 179.25 179.92 1tru h ALA 18 N 1.61 1.45 0.00 0.00 0.00 -0.81 -3.48 119.26 118.04 1tru h ALA 18 Ca -0.00 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1tru h ALA 18 Cb 0.80 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.42 1tru h ALA 18 CO 0.05 0.41 0.00 0.41 0.00 0.00 0.00 179.25 180.12 1tru n GLY 19 N -1.08 1.96 0.48 0.00 0.00 -1.05 -3.19 105.19 102.32 1tru n GLY 19 Ca 0.03 -0.52 0.04 0.00 0.00 0.00 0.00 46.02 45.57 1tru n GLY 19 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1tru n ASP 20 N 8.40 2.61 -4.84 1.61 5.75 -1.26 -3.78 116.55 125.04 1tru n ASP 20 Ca 0.00 -1.93 -0.31 0.00 -0.01 0.00 0.00 54.79 52.54 1tru n ASP 20 Cb 0.00 -0.16 0.04 0.00 -1.03 0.00 0.00 41.12 39.97 1tru n ASP 20 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1tru s LYS 21 N -0.97 3.03 0.84 0.11 1.02 -1.19 -4.84 119.74 117.74 1tru s LYS 21 Ca 0.17 0.82 -0.11 0.00 0.02 0.00 0.00 55.97 56.87 1tru s LYS 21 Cb 0.09 -2.01 0.10 0.00 -0.52 0.00 0.00 37.83 35.49 1tru s LYS 21 CO 0.12 -1.00 1.14 -1.17 -0.92 0.00 0.00 175.35 173.52 1tru s LEU 22 N -5.45 2.98 -0.33 3.17 0.20 -1.26 -4.59 118.68 113.39 1tru s LEU 22 Ca 0.57 2.12 0.02 0.00 0.69 0.00 0.00 54.13 57.53 1tru s LEU 22 Cb -0.13 -4.56 0.15 0.00 -0.43 0.00 0.00 46.19 41.22 1tru s LEU 22 CO 0.54 -2.67 0.34 -0.69 -0.29 0.00 0.00 176.35 173.58 1tru s VAL 23 N -2.60 -0.36 -0.29 1.68 1.01 -0.94 -3.35 120.40 115.55 1tru s VAL 23 Ca 0.67 -0.78 -0.12 0.00 0.00 0.00 0.00 61.98 61.74 1tru s VAL 23 Cb -0.22 -0.83 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 1tru s VAL 23 CO 0.55 -0.54 0.25 -0.69 0.00 0.00 0.00 175.10 174.68 1tru s VAL 24 N 1.84 5.26 -0.12 2.92 1.01 -0.97 -0.25 120.40 130.09 1tru s VAL 24 Ca 0.14 0.23 -0.12 0.00 0.00 0.00 0.00 61.98 62.23 1tru s VAL 24 Cb -0.15 -3.61 -0.05 0.00 0.00 0.00 0.00 36.38 32.58 1tru s VAL 24 CO -0.16 0.18 0.25 -0.69 0.00 0.00 0.00 175.10 174.68 1tru s VAL 25 N 1.85 5.32 -0.32 2.92 1.01 -0.30 -2.26 120.40 128.63 1tru s VAL 25 Ca 0.09 0.47 -0.06 0.00 0.00 0.00 0.00 61.98 62.48 1tru s VAL 25 Cb -0.16 -3.56 0.03 0.00 0.00 0.00 0.00 36.38 32.69 1tru s VAL 25 CO 0.11 0.50 0.08 -0.62 0.00 0.00 0.00 175.10 175.17 1tru s ASP 26 N -0.30 5.18 -0.50 3.32 2.15 -0.52 -1.06 116.67 124.93 1tru s ASP 26 Ca 0.17 -1.00 -0.16 0.00 0.43 0.00 0.00 52.55 51.98 1tru s ASP 26 Cb -0.13 -1.85 0.08 0.00 -0.30 0.00 0.00 42.92 40.72 1tru s ASP 26 CO 0.05 -0.27 0.48 -0.36 -0.17 0.00 0.00 175.17 174.90 1tru s PHE 27 N 1.42 3.19 0.00 -5.34 0.08 0.25 -2.68 117.98 114.90 1tru s PHE 27 Ca -0.00 -0.92 0.00 0.00 0.12 0.00 0.00 56.93 56.12 1tru s PHE 27 Cb -0.19 -3.41 0.00 0.00 -0.57 0.00 0.00 43.02 38.86 1tru s PHE 27 CO 0.02 -0.91 0.00 -1.13 -0.10 0.00 0.00 175.22 173.10 1tru n SER 28 N 5.46 0.00 -3.92 1.36 3.41 -1.20 -1.38 113.62 117.34 1tru n SER 28 Ca -0.11 -0.61 -0.31 0.00 -0.26 0.00 0.00 58.87 57.58 1tru n SER 28 Cb 0.43 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.23 1tru n SER 28 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1tru s ALA 29 N -1.97 2.28 0.53 7.33 0.00 -1.26 -2.57 121.76 126.10 1tru s ALA 29 Ca 0.00 -1.99 0.26 0.00 0.00 0.00 0.00 51.96 50.23 1tru s ALA 29 Cb 0.00 -1.73 1.41 0.00 0.00 0.00 0.00 23.12 22.79 1tru s ALA 29 CO 0.00 -1.55 1.99 0.00 0.00 0.00 0.00 175.76 176.19 1tru h THR 30 N 6.60 0.72 0.01 0.00 1.03 -1.96 -0.10 112.91 119.20 1tru h THR 30 Ca -0.10 0.00 -0.23 0.00 -0.01 0.00 0.00 66.41 66.07 1tru h THR 30 Cb 1.03 0.72 0.02 0.00 -1.07 0.00 0.00 68.15 68.85 1tru h THR 30 CO 0.48 0.00 -0.89 4.11 -0.01 0.00 0.00 175.52 179.21 1tru h TRP 31 N 0.00 0.88 -2.40 0.00 5.08 -2.02 -3.46 115.95 114.04 1tru h TRP 31 Ca 0.27 -0.49 -0.49 0.00 1.08 0.00 0.00 58.89 59.26 1tru h TRP 31 Cb 1.07 -0.10 0.23 0.00 -3.00 0.00 0.00 29.16 27.37 1tru h TRP 31 CO 0.00 1.32 -1.25 0.00 -1.28 0.00 0.00 178.44 177.23 1tru n GLY 33 N 2.22 -0.37 0.35 0.00 0.00 -1.26 -3.99 105.19 102.14 1tru n GLY 33 Ca 0.02 -0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.21 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 0.12 1.61 0.10 -1.96 -0.54 132.00 131.33 1tru h PRO 34 Ca 0.00 0.00 -0.17 0.00 0.10 0.00 0.00 66.00 65.93 1tru h PRO 34 Cb 0.00 0.00 0.01 0.00 0.10 0.00 0.00 31.00 31.12 1tru h PRO 34 CO 0.00 0.00 -0.79 0.00 0.10 0.00 0.00 178.00 177.31 1tru n LYS 36 N -4.17 0.08 0.20 0.00 4.81 -0.27 -2.10 118.16 116.71 1tru n LYS 36 Ca -0.15 0.42 0.14 0.00 -0.87 0.00 0.00 58.31 57.85 1tru n LYS 36 Cb 0.78 -1.69 0.60 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 -0.86 1.64 4.05 -1.42 -2.72 114.93 115.62 1tru h MET 37 Ca 0.00 0.00 -0.26 0.00 -0.28 0.00 0.00 59.70 59.16 1tru h MET 37 Cb 0.19 0.00 -0.15 0.00 -0.80 0.00 0.00 31.60 30.84 1tru h MET 37 CO 0.00 0.00 0.33 -0.89 0.23 0.00 0.00 176.91 176.58 1tru n ILE 38 N -2.59 2.62 0.04 1.77 5.41 -0.89 -4.34 119.36 121.38 1tru n ILE 38 Ca 0.01 -1.42 0.01 0.00 1.00 0.00 0.00 62.75 62.35 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 1.82 0.00 0.00 0.38 2.10 -1.70 -3.25 116.57 115.92 1tru h LYS 39 Ca 0.32 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.97 1tru h LYS 39 Cb 2.23 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.56 1tru h LYS 39 CO 0.72 0.29 0.00 -0.35 -2.00 0.00 0.00 179.45 178.10 1tru n PRO 40 N -2.90 0.72 0.00 0.07 -0.04 -1.26 -2.84 135.00 128.76 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 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.98 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 -0.80 0.00 0.39 0.54 3.72 -1.25 -4.37 117.46 115.70 1tru n PHE 41 Ca 0.10 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 57.35 1tru n PHE 41 Cb 0.05 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 -0.96 0.00 1.38 3.57 -1.70 -1.78 116.94 117.46 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 0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.06 1tru h PHE 42 CO 0.00 -0.59 0.00 1.58 -2.23 0.00 0.00 178.31 177.07 1tru n HIS 43 N -4.76 0.00 0.05 0.41 -0.00 -1.13 -2.00 115.22 107.80 1tru n HIS 43 Ca -0.12 0.00 0.04 0.00 0.46 0.00 0.00 57.72 58.09 1tru n HIS 43 Cb 0.40 -0.19 -0.06 0.00 -0.12 0.00 0.00 29.99 30.03 1tru n HIS 43 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1tru n SER 44 N -1.19 0.86 0.00 0.26 2.88 -0.72 -3.81 113.62 111.91 1tru n SER 44 Ca 0.06 0.37 0.00 0.00 -1.33 0.00 0.00 58.87 57.97 1tru n SER 44 Cb 0.07 0.24 0.01 0.00 -0.75 0.00 0.00 64.21 63.77 1tru n SER 44 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1tru n LEU 45 N -2.82 0.00 -0.21 2.46 4.77 -0.85 -1.97 117.00 118.38 1tru n LEU 45 Ca -0.07 0.41 0.05 0.00 -0.03 0.00 0.00 56.01 56.37 1tru n LEU 45 Cb 0.75 -0.41 0.31 0.00 -2.33 0.00 0.00 43.42 41.74 1tru n LEU 45 CO 0.42 -0.40 1.23 0.28 -1.33 0.00 0.00 177.39 177.58 1tru h SER 46 N 0.00 0.75 0.84 -1.43 0.02 -1.77 0.54 113.55 112.50 1tru h SER 46 Ca 0.00 -0.00 -0.13 0.00 -0.84 0.00 0.00 61.79 60.82 1tru h SER 46 Cb 0.00 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.36 1tru h SER 46 CO 0.00 0.50 -1.24 -0.33 -1.14 0.00 0.00 176.83 174.62 1tru h GLU 47 N 0.86 0.00 0.00 3.45 5.08 -1.70 -3.36 114.58 118.91 1tru h GLU 47 Ca 0.32 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.62 1tru h GLU 47 Cb 0.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1tru h GLU 47 CO -0.10 0.24 -0.42 -0.22 -1.00 0.00 0.00 179.01 177.52 1tru h LYS 48 N 0.00 0.00 -3.57 2.33 3.64 -1.44 -3.42 116.57 114.11 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 1.44 0.00 -0.33 0.00 -0.41 0.00 0.00 32.23 32.93 1tru h LYS 48 CO 0.04 0.48 -0.22 0.71 -2.27 0.00 0.00 179.45 178.19 1tru s TYR 49 N -2.07 3.56 -1.13 1.91 2.02 0.18 -4.89 117.35 116.92 1tru s TYR 49 Ca -0.15 -2.63 0.19 0.00 -0.37 0.00 0.00 57.07 54.10 1tru s TYR 49 Cb 0.01 -3.34 0.85 0.00 -0.40 0.00 0.00 41.96 39.09 1tru s TYR 49 CO 0.36 -0.85 1.60 -1.13 -1.57 0.00 0.00 175.55 173.96 1tru n SER 50 N 3.36 0.00 -2.19 2.29 3.41 -1.26 -2.96 113.62 116.26 1tru n SER 50 Ca 0.12 0.35 -0.23 0.00 -0.26 0.00 0.00 58.87 58.84 1tru n SER 50 Cb 0.39 -0.43 0.18 0.00 -0.26 0.00 0.00 64.21 64.09 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 -1.43 3.73 -3.99 4.04 5.15 -1.26 -4.41 115.26 117.08 1tru n ASN 51 Ca 0.06 -3.56 -0.20 0.00 -0.60 0.00 0.00 54.58 50.27 1tru n ASN 51 Cb 0.20 -0.83 -0.15 0.00 -0.53 0.00 0.00 39.78 38.46 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 -3.21 0.76 -0.33 3.44 1.01 -1.16 -4.68 120.40 116.24 1tru s VAL 52 Ca 0.55 -0.34 -0.15 0.00 0.00 0.00 0.00 61.98 62.04 1tru s VAL 52 Cb 0.47 -0.68 -0.02 0.00 0.00 0.00 0.00 36.38 36.15 1tru s VAL 52 CO 0.11 0.24 0.35 -0.63 0.00 0.00 0.00 175.10 175.17 1tru s ILE 53 N 0.23 5.18 -0.18 2.22 -1.09 -1.21 -3.80 121.20 122.54 1tru s ILE 53 Ca -0.04 0.11 -0.05 0.00 -2.23 0.00 0.00 60.65 58.44 1tru s ILE 53 Cb -0.09 -3.79 -0.03 0.00 -1.58 0.00 0.00 42.46 36.98 1tru s ILE 53 CO 0.00 -0.04 -0.00 -0.36 -1.23 0.00 0.00 174.94 173.31 1tru s PHE 54 N 2.00 3.07 -0.12 3.97 0.08 -1.18 -2.29 117.98 123.51 1tru s PHE 54 Ca 0.12 -0.32 -0.04 0.00 0.12 0.00 0.00 56.93 56.81 1tru s PHE 54 Cb -0.16 -2.04 -0.03 0.00 -0.57 0.00 0.00 43.02 40.21 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 0.70 3.65 -0.34 -0.37 1.02 -0.96 -2.83 118.68 119.56 1tru s LEU 55 Ca -0.00 0.13 -0.03 0.00 0.02 0.00 0.00 54.13 54.24 1tru s LEU 55 Cb -0.14 -1.86 0.06 0.00 0.02 0.00 0.00 46.19 44.27 1tru s LEU 55 CO 0.02 0.32 0.08 -0.70 0.02 0.00 0.00 176.35 176.09 1tru s GLU 56 N -0.50 2.35 -0.19 1.70 2.12 -1.16 -1.44 118.70 121.58 1tru s GLU 56 Ca 0.09 -1.40 -0.06 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 -0.76 0.04 0.08 -0.54 0.00 0.00 175.26 174.10 1tru s VAL 57 N 1.25 4.41 -0.35 3.70 1.01 -1.09 -3.25 120.40 126.09 1tru s VAL 57 Ca -0.01 -0.16 -0.16 0.00 0.00 0.00 0.00 61.98 61.65 1tru s VAL 57 Cb -0.21 -2.99 -0.01 0.00 0.00 0.00 0.00 36.38 33.17 1tru s VAL 57 CO -0.01 0.44 0.41 -0.62 0.00 0.00 0.00 175.10 175.32 1tru s ASP 58 N 0.69 6.22 0.00 3.32 2.15 -1.26 -3.28 116.67 124.52 1tru s ASP 58 Ca 0.02 -0.17 0.02 0.00 0.43 0.00 0.00 52.55 52.85 1tru s ASP 58 Cb -0.14 -2.22 0.14 0.00 -0.30 0.00 0.00 42.92 40.40 1tru s ASP 58 CO 0.02 -0.39 0.45 1.33 -0.17 0.00 0.00 175.17 176.41 1tru n VAL 59 N 5.30 0.00 -0.07 1.11 0.24 -1.06 -0.90 118.33 122.95 1tru n VAL 59 Ca -0.08 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.13 1tru n VAL 59 Cb 0.49 -0.68 -0.06 0.00 -1.47 0.00 0.00 33.84 32.12 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 -0.75 2.98 -0.01 -1.34 9.92 -1.26 -4.34 116.55 121.75 1tru n ASP 60 Ca 0.02 -0.07 -0.21 0.00 -0.53 0.00 0.00 54.79 53.99 1tru n ASP 60 Cb 0.01 -0.19 -0.13 0.00 -0.64 0.00 0.00 41.12 40.16 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 0.31 -2.07 -2.24 3.58 -1.81 -3.37 116.42 110.82 1tru h ASP 61 Ca -0.29 -0.82 -0.77 0.00 0.42 0.00 0.00 57.03 55.57 1tru h ASP 61 Cb 1.45 -0.10 -0.28 0.00 1.72 0.00 0.00 39.33 42.12 1tru h ASP 61 CO -0.04 1.62 0.92 0.00 -2.88 0.00 0.00 179.24 178.86 1tru n ALA 62 N -3.04 6.24 0.15 -0.78 0.00 -0.08 -4.72 120.51 118.28 1tru n ALA 62 Ca -0.27 -4.32 0.09 0.00 0.00 0.00 0.00 53.44 48.94 1tru n ALA 62 Cb 0.88 -1.96 0.47 0.00 0.00 0.00 0.00 19.45 18.84 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 -0.36 0.11 -0.03 0.00 3.00 -1.26 -1.11 117.38 117.73 1tru n GLN 63 Ca 0.50 0.60 -0.17 0.00 -0.01 0.00 0.00 57.00 57.93 1tru n GLN 63 Cb 0.27 -1.96 -0.07 0.00 0.00 0.00 0.00 30.24 28.47 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 0.80 0.95 1.08 2.03 -1.93 -2.83 116.42 116.52 1tru h ASP 64 Ca 0.00 -0.62 -0.11 0.00 -0.73 0.00 0.00 57.03 55.57 1tru h ASP 64 Cb 0.17 -0.24 -0.02 0.00 -0.83 0.00 0.00 39.33 38.42 1tru h ASP 64 CO 0.00 1.29 -0.52 0.58 -1.03 0.00 0.00 179.24 179.56 1tru h VAL 65 N 0.36 1.08 -0.49 4.15 2.07 -1.50 -2.97 116.25 118.94 1tru h VAL 65 Ca -0.04 -2.00 -0.11 0.00 0.82 0.00 0.00 66.70 65.38 1tru h VAL 65 Cb 1.26 2.18 -0.02 0.00 -1.52 0.00 0.00 31.29 33.19 1tru h VAL 65 CO 0.13 0.51 -0.11 0.00 0.02 0.00 0.00 177.57 178.11 1tru h ALA 66 N 1.48 0.87 0.10 1.67 0.00 -1.43 0.12 119.26 122.08 1tru h ALA 66 Ca -0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1tru h ALA 66 Cb 1.13 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1tru h ALA 66 CO 0.07 0.64 -0.05 1.03 0.00 0.00 0.00 179.25 180.94 1tru h SER 67 N 0.81 -0.12 -0.42 0.00 0.87 -1.44 -2.27 113.55 110.99 1tru h SER 67 Ca 0.13 -0.38 -0.03 0.00 -1.23 0.00 0.00 61.79 60.28 1tru h SER 67 Cb 0.64 0.03 -0.02 0.00 -0.44 0.00 0.00 62.40 62.61 1tru h SER 67 CO 0.04 0.35 0.17 -0.08 -0.53 0.00 0.00 176.83 176.79 1tru h GLU 68 N -0.62 0.68 0.00 2.24 4.81 -1.51 0.01 114.58 120.18 1tru h GLU 68 Ca -0.01 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1tru h GLU 68 Cb 0.50 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.75 1tru h GLU 68 CO 0.02 0.57 0.00 0.00 -0.73 0.00 0.00 179.01 178.87 1tru n ALA 69 N -2.46 2.07 -3.21 2.92 0.00 0.40 -4.86 120.51 115.37 1tru n ALA 69 Ca 0.03 -0.09 -0.22 0.00 0.00 0.00 0.00 53.44 53.16 1tru n ALA 69 Cb 0.16 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.27 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 -1.34 -3.50 -2.83 0.00 1.02 -0.01 -4.88 120.64 109.11 1tru n GLU 70 Ca 0.09 0.55 -0.43 0.00 -0.02 0.00 0.00 57.16 57.35 1tru n GLU 70 Cb 0.19 -5.27 -0.04 0.00 -0.02 0.00 0.00 31.44 26.30 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 -2.93 4.47 -0.15 2.62 1.01 -1.07 -4.84 120.40 119.51 1tru s VAL 71 Ca 0.34 0.67 0.12 0.00 0.00 0.00 0.00 61.98 63.11 1tru s VAL 71 Cb -0.18 -4.44 0.22 0.00 0.00 0.00 0.00 36.38 31.98 1tru s VAL 71 CO 0.42 -0.87 1.14 0.29 0.00 0.00 0.00 175.10 176.08 1tru n LYS 72 N 7.19 2.16 -3.31 2.72 5.02 -1.26 -4.89 118.16 125.78 1tru n LYS 72 Ca 0.05 -2.20 -0.10 0.00 -2.02 0.00 0.00 58.31 54.04 1tru n LYS 72 Cb 0.48 -1.35 -0.06 0.00 -0.02 0.00 0.00 35.03 34.08 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 -2.10 -1.12 0.21 7.82 0.00 -1.26 -5.15 121.76 120.17 1tru s ALA 73 Ca 0.22 -0.09 -0.02 0.00 0.00 0.00 0.00 51.96 52.07 1tru s ALA 73 Cb 0.18 -2.13 -0.04 0.00 0.00 0.00 0.00 23.12 21.12 1tru s ALA 73 CO 0.04 -1.89 0.42 0.95 0.00 0.00 0.00 175.76 175.27 1tru s THR 74 N 2.20 5.17 0.48 0.00 -4.23 -1.26 -4.05 115.64 113.95 1tru s THR 74 Ca 0.12 -0.27 -0.20 0.00 -1.18 0.00 0.00 61.69 60.16 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 -0.22 -0.19 1.00 -2.16 -0.54 0.00 0.00 174.62 172.51 1tru s PRO 75 N -3.33 3.93 -0.04 3.99 0.04 -1.26 -5.01 135.00 133.32 1tru s PRO 75 Ca 0.39 1.20 -0.01 0.00 0.04 0.00 0.00 61.00 62.62 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 -0.30 0.02 0.99 0.04 0.00 0.00 177.00 178.04 1tru s THR 76 N -2.20 0.11 -0.15 1.26 2.01 -0.48 -3.27 115.64 112.93 1tru s THR 76 Ca 0.64 0.22 -0.05 0.00 0.31 0.00 0.00 61.69 62.81 1tru s THR 76 Cb -0.13 -0.28 -0.03 0.00 0.01 0.00 0.00 72.50 72.07 1tru s THR 76 CO 0.21 0.18 0.01 -0.36 -0.69 0.00 0.00 174.62 173.97 1tru s PHE 77 N 1.63 3.15 0.26 4.92 0.08 -1.15 -0.58 117.98 126.27 1tru s PHE 77 Ca -0.01 -0.05 0.11 0.00 0.12 0.00 0.00 56.93 57.10 1tru s PHE 77 Cb -0.13 -1.97 -0.05 0.00 -0.57 0.00 0.00 43.02 40.31 1tru s PHE 77 CO -0.03 0.15 -0.16 -0.65 -0.10 0.00 0.00 175.22 174.43 1tru s GLN 78 N 0.10 1.79 -0.26 0.44 -0.21 -0.22 -2.16 119.66 119.14 1tru s GLN 78 Ca 0.02 -1.64 0.01 0.00 0.02 0.00 0.00 55.36 53.78 1tru s GLN 78 Cb -0.13 -1.88 0.07 0.00 1.00 0.00 0.00 33.01 32.07 1tru s GLN 78 CO 0.02 0.35 -0.04 -0.06 -2.12 0.00 0.00 175.29 173.44 1tru s PHE 79 N -2.30 2.70 0.23 0.91 0.40 0.19 -1.14 117.98 118.97 1tru s PHE 79 Ca 0.29 -2.03 0.08 0.00 -0.60 0.00 0.00 56.93 54.67 1tru s PHE 79 Cb -0.06 -1.82 -0.04 0.00 0.51 0.00 0.00 43.02 41.61 1tru s PHE 79 CO 0.15 -0.82 0.08 -0.06 0.70 0.00 0.00 175.22 175.27 1tru s PHE 80 N 1.29 2.91 -0.20 0.36 0.40 0.65 -1.38 117.98 122.01 1tru s PHE 80 Ca -0.03 -0.15 -0.15 0.00 -0.60 0.00 0.00 56.93 56.00 1tru s PHE 80 Cb -0.19 -1.33 0.06 0.00 0.51 0.00 0.00 43.02 42.07 1tru s PHE 80 CO -0.07 0.56 0.51 0.21 0.70 0.00 0.00 175.22 177.13 1tru s LYS 81 N -3.54 0.55 -0.10 0.44 2.20 -0.47 -2.22 119.74 116.60 1tru s LYS 81 Ca 0.31 0.85 0.00 0.00 -0.36 0.00 0.00 55.97 56.77 1tru s LYS 81 Cb -0.08 0.15 0.00 0.00 -1.51 0.00 0.00 37.83 36.39 1tru s LYS 81 CO 0.22 -0.12 0.00 1.63 -0.36 0.00 0.00 175.35 176.72 1tru n LYS 82 N 3.63 -1.95 -0.75 4.03 5.02 -1.25 0.94 118.16 127.83 1tru n LYS 82 Ca -0.18 0.33 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 1tru n LYS 82 Cb 0.56 -4.07 0.00 0.00 -0.02 0.00 0.00 35.03 31.50 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 0.54 1.28 2.90 0.72 0.00 -1.26 -4.93 105.19 104.44 1tru n GLY 83 Ca -0.01 -0.37 -0.22 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.03 1.08 -0.41 1.61 -0.21 0.27 -5.08 119.66 114.89 1tru s GLN 84 Ca 0.00 -0.16 -0.28 0.00 0.02 0.00 0.00 55.36 54.95 1tru s GLN 84 Cb 0.00 -1.09 -0.03 0.00 1.00 0.00 0.00 33.01 32.89 1tru s GLN 84 CO 0.00 -0.13 1.90 0.21 -2.12 0.00 0.00 175.29 175.16 1tru s LYS 85 N 1.16 3.03 -0.32 2.91 2.20 -1.26 -1.37 119.74 126.09 1tru s LYS 85 Ca -0.07 1.27 0.07 0.00 -0.36 0.00 0.00 55.97 56.89 1tru s LYS 85 Cb -0.14 -4.29 0.47 0.00 -1.51 0.00 0.00 37.83 32.35 1tru s LYS 85 CO -0.01 -2.23 1.38 1.33 -0.36 0.00 0.00 175.35 175.46 1tru n VAL 86 N 7.45 2.60 0.00 4.02 0.24 -0.48 -4.99 118.33 127.17 1tru n VAL 86 Ca 0.24 -3.44 0.00 0.00 -2.04 0.00 0.00 64.34 59.11 1tru n VAL 86 Cb 0.49 -0.71 0.00 0.00 -1.47 0.00 0.00 33.84 32.15 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 -0.95 3.90 3.59 7.63 0.00 -1.20 -4.95 105.19 113.21 1tru n GLY 87 Ca 0.38 -0.69 -0.08 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.45 0.46 -0.29 1.61 1.03 -1.26 -0.64 118.70 117.16 1tru s GLU 88 Ca 0.00 0.07 -0.16 0.00 0.03 0.00 0.00 54.97 54.91 1tru s GLU 88 Cb 0.00 0.21 0.13 0.00 -0.80 0.00 0.00 34.13 33.67 1tru s GLU 88 CO 0.00 -0.15 0.89 -0.59 -1.33 0.00 0.00 175.26 174.08 1tru s PHE 89 N -1.31 -0.73 -0.13 4.83 -0.12 -0.92 -5.00 117.98 114.60 1tru s PHE 89 Ca 0.02 1.45 -0.05 0.00 -0.05 0.00 0.00 56.93 58.30 1tru s PHE 89 Cb -0.01 0.44 -0.04 0.00 -0.63 0.00 0.00 43.02 42.79 1tru s PHE 89 CO -0.02 -0.36 0.04 -1.54 -0.05 0.00 0.00 175.22 173.29 1tru s SER 90 N 1.53 5.50 0.00 1.98 1.04 -1.26 -2.96 113.70 119.53 1tru s SER 90 Ca -0.09 0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.49 1tru s SER 90 Cb -0.04 -1.76 0.00 0.00 0.10 0.00 0.00 66.02 64.31 1tru s SER 90 CO -0.17 0.29 0.00 0.61 0.98 0.00 0.00 173.24 174.96 1tru n GLY 91 N 2.73 4.04 2.18 7.32 0.00 -1.20 -4.96 105.19 115.29 1tru n GLY 91 Ca -0.18 -0.88 -0.27 0.00 0.00 0.00 0.00 46.02 44.69 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 -1.45 7.02 -3.46 4.61 0.00 -1.26 -4.74 120.51 121.23 1tru n ALA 92 Ca 0.00 -2.78 -0.41 0.00 0.00 0.00 0.00 53.44 50.25 1tru n ALA 92 Cb 0.00 -2.92 -0.03 0.00 0.00 0.00 0.00 19.45 16.50 1tru n ALA 92 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1tru s ASN 93 N 2.11 6.76 0.46 0.00 3.04 -1.26 -4.87 114.94 121.18 1tru s ASN 93 Ca 0.68 -3.63 0.14 0.00 0.04 0.00 0.00 52.86 50.09 1tru s ASN 93 Cb 0.24 -2.08 1.09 0.00 -1.54 0.00 0.00 41.25 38.95 1tru s ASN 93 CO -0.03 -0.25 2.05 0.07 -3.04 0.00 0.00 177.10 175.89 1tru h LYS 94 N 6.42 0.28 0.00 0.43 2.10 -2.00 0.46 116.57 124.26 1tru h LYS 94 Ca 0.17 -0.02 -0.05 0.00 -2.00 0.00 0.00 60.65 58.75 1tru h LYS 94 Cb 0.85 -0.06 -0.01 0.00 -0.90 0.00 0.00 32.23 32.11 1tru h LYS 94 CO 0.94 0.19 -0.24 0.93 -2.00 0.00 0.00 179.45 179.27 1tru h GLU 95 N 0.29 0.00 -0.43 0.07 4.39 -1.99 -2.76 114.58 114.15 1tru h GLU 95 Ca 0.17 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.75 1tru h GLU 95 Cb 0.29 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1tru h GLU 95 CO -0.04 0.24 -0.22 -0.22 -1.16 0.00 0.00 179.01 177.62 1tru h LYS 96 N 0.00 0.86 -0.98 2.33 3.64 -1.31 -2.90 116.57 118.21 1tru h LYS 96 Ca -0.00 -0.35 0.20 0.00 -1.27 0.00 0.00 60.65 59.23 1tru h LYS 96 Cb 0.58 -0.04 -0.11 0.00 -0.41 0.00 0.00 32.23 32.25 1tru h LYS 96 CO 0.03 0.99 0.57 -0.07 -2.27 0.00 0.00 179.45 178.71 1tru h LEU 97 N 0.75 0.70 0.65 5.20 3.38 -1.46 0.21 115.31 124.73 1tru h LEU 97 Ca 0.10 0.11 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 1tru h LEU 97 Cb 0.75 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.50 1tru h LEU 97 CO 0.06 0.21 -0.31 -0.08 0.09 0.00 0.00 178.44 178.41 1tru h GLU 98 N 0.68 -0.84 -1.00 1.13 4.81 -1.63 0.22 114.58 117.95 1tru h GLU 98 Ca 0.58 0.06 0.11 0.00 -0.13 0.00 0.00 59.36 59.98 1tru h GLU 98 Cb 0.96 0.19 -0.08 0.00 0.63 0.00 0.00 28.75 30.45 1tru h GLU 98 CO -0.41 -0.54 0.63 0.00 -0.73 0.00 0.00 179.01 177.95 1tru h ALA 99 N -1.14 1.50 -0.05 2.92 0.00 -1.39 -0.28 119.26 120.82 1tru h ALA 99 Ca -0.09 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1tru h ALA 99 Cb 0.69 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1tru h ALA 99 CO 0.15 0.24 -0.08 1.15 0.00 0.00 0.00 179.25 180.71 1tru h THR 100 N 1.01 1.42 -0.92 0.00 2.02 -0.57 -2.81 112.91 113.05 1tru h THR 100 Ca 0.49 -1.37 0.07 0.00 0.77 0.00 0.00 66.41 66.38 1tru h THR 100 Cb 0.46 2.22 -0.07 0.00 -1.74 0.00 0.00 68.15 69.02 1tru h THR 100 CO -0.26 0.37 0.58 0.40 0.37 0.00 0.00 175.52 176.98 1tru h ILE 101 N -0.36 1.03 0.00 3.11 2.04 -0.06 0.46 117.51 123.73 1tru h ILE 101 Ca 0.00 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1tru h ILE 101 Cb 0.64 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 1tru h ILE 101 CO 0.02 0.19 0.00 -3.20 0.00 0.00 0.00 178.15 175.16 1tru n ASN 102 N -4.59 0.00 -0.06 1.72 5.15 -0.16 -2.28 115.26 115.04 1tru n ASN 102 Ca 0.14 -0.57 -0.03 0.00 -0.60 0.00 0.00 54.58 53.53 1tru n ASN 102 Cb 0.21 -0.05 -0.02 0.00 -0.53 0.00 0.00 39.78 39.38 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 -0.66 1.20 4.81 0.20 -3.35 114.58 116.77 1tru h GLU 103 Ca 0.00 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 1tru h GLU 103 Cb 0.04 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.39 1tru h GLU 103 CO 0.00 0.18 0.06 1.28 -0.73 0.00 0.00 179.01 179.80 1tru n LEU 104 N -4.74 5.41 0.00 1.64 4.77 -1.20 -5.12 117.00 117.77 1tru n LEU 104 Ca -0.03 -2.77 0.06 0.00 -0.03 0.00 0.00 56.01 53.25 1tru n LEU 104 Cb 0.10 -0.68 0.34 0.00 -2.33 0.00 0.00 43.42 40.85 1tru n LEU 104 CO 0.06 0.63 0.56 0.55 -1.33 0.00 0.00 177.39 177.86