#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 -0.19 2.03 1.01 -1.26 -3.59 120.40 118.56 1tru s VAL 2 Ca 0.00 -1.41 -0.06 0.00 0.00 0.00 0.00 61.98 60.51 1tru s VAL 2 Cb 0.00 -1.47 0.09 0.00 0.00 0.00 0.00 36.38 35.00 1tru s VAL 2 CO 0.00 -0.71 0.38 -0.75 0.00 0.00 0.00 175.10 174.02 1tru s LYS 3 N -3.90 0.29 -0.08 2.72 2.20 -1.18 -5.03 119.74 114.75 1tru s LYS 3 Ca 0.07 0.93 -0.29 0.00 -0.36 0.00 0.00 55.97 56.33 1tru s LYS 3 Cb 0.06 0.19 -0.02 0.00 -1.51 0.00 0.00 37.83 36.55 1tru s LYS 3 CO -0.09 -0.29 0.97 -1.14 -0.36 0.00 0.00 175.35 174.43 1tru s GLN 4 N 2.57 4.45 -0.38 4.03 0.74 -1.26 -2.75 119.66 127.05 1tru s GLN 4 Ca 0.00 1.33 -0.22 0.00 0.05 0.00 0.00 55.36 56.52 1tru s GLN 4 Cb -0.12 -3.52 0.01 0.00 1.10 0.00 0.00 33.01 30.48 1tru s GLN 4 CO -0.12 -0.23 0.73 0.42 -0.55 0.00 0.00 175.29 175.54 1tru s ILE 5 N 1.69 4.78 -0.42 -2.34 -1.09 -0.76 -4.90 121.20 118.17 1tru s ILE 5 Ca 0.48 0.67 0.23 0.00 -2.23 0.00 0.00 60.65 59.80 1tru s ILE 5 Cb -0.19 -4.18 -0.00 0.00 -1.58 0.00 0.00 42.46 36.51 1tru s ILE 5 CO 0.20 -0.45 1.13 -0.62 -1.23 0.00 0.00 174.94 173.97 1tru n GLU 6 N 6.34 0.46 -3.56 2.79 1.02 -1.26 -4.58 120.64 121.85 1tru n GLU 6 Ca 0.01 0.09 -0.10 0.00 -0.02 0.00 0.00 57.16 57.14 1tru n GLU 6 Cb 0.48 -1.75 -0.02 0.00 -0.02 0.00 0.00 31.44 30.13 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 -4.79 -0.46 0.60 1.62 1.04 -1.26 -4.38 113.70 106.07 1tru s SER 7 Ca 0.02 -0.20 0.29 0.00 0.48 0.00 0.00 55.95 56.54 1tru s SER 7 Cb 0.11 0.63 1.56 0.00 0.10 0.00 0.00 66.02 68.43 1tru s SER 7 CO 0.77 -1.08 1.97 0.50 0.98 0.00 0.00 173.24 176.37 1tru h LYS 8 N 2.01 0.00 0.80 4.02 3.64 -1.93 -1.82 116.57 123.29 1tru h LYS 8 Ca -0.29 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.05 1tru h LYS 8 Cb 1.29 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.12 1tru h LYS 8 CO 0.34 0.00 -0.38 1.15 -2.27 0.00 0.00 179.45 178.28 1tru h THR 9 N 0.00 0.21 0.00 1.00 2.02 -2.00 -2.08 112.91 112.05 1tru h THR 9 Ca 0.14 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.31 1tru h THR 9 Cb 0.88 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 1tru h THR 9 CO -0.00 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.89 1tru h ALA 10 N -0.87 1.00 0.96 6.16 0.00 -1.75 -2.99 119.26 121.77 1tru h ALA 10 Ca -0.11 0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 1tru h ALA 10 Cb 0.82 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.62 1tru h ALA 10 CO 0.18 0.00 -0.46 0.35 0.00 0.00 0.00 179.25 179.32 1tru h PHE 11 N 0.00 -1.19 -0.38 0.00 3.57 -1.04 0.21 116.94 118.11 1tru h PHE 11 Ca 0.00 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.46 1tru h PHE 11 Cb 0.18 0.39 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 1tru h PHE 11 CO 0.00 -0.74 0.17 1.96 -2.23 0.00 0.00 178.31 177.47 1tru h GLN 12 N -1.34 0.55 -0.49 1.11 1.08 -1.45 -1.98 115.11 112.58 1tru h GLN 12 Ca -0.13 -0.09 0.04 0.00 -1.45 0.00 0.00 58.65 57.02 1tru h GLN 12 Cb 0.99 -0.10 -0.03 0.00 -0.05 0.00 0.00 27.48 28.29 1tru h GLN 12 CO 0.22 0.50 0.33 0.93 -0.95 0.00 0.00 178.83 179.86 1tru h GLU 13 N 0.47 0.51 -0.26 1.46 5.08 -1.50 -0.89 114.58 119.45 1tru h GLU 13 Ca 0.13 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.31 1tru h GLU 13 Cb 0.14 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 1tru h GLU 13 CO -0.01 0.34 -0.45 0.00 -1.00 0.00 0.00 179.01 177.89 1tru h ALA 14 N 1.72 0.73 -0.32 3.43 0.00 0.03 -1.00 119.26 123.84 1tru h ALA 14 Ca 0.20 -0.47 -0.12 0.00 0.00 0.00 0.00 54.91 54.52 1tru h ALA 14 Cb 0.14 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1tru h ALA 14 CO -0.05 0.67 -0.27 -0.07 0.00 0.00 0.00 179.25 179.53 1tru h LEU 15 N 0.53 0.79 -0.88 0.00 3.38 -0.53 -2.01 115.31 116.59 1tru h LEU 15 Ca 0.03 -0.45 -0.11 0.00 0.09 0.00 0.00 57.88 57.44 1tru h LEU 15 Cb 0.99 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1tru h LEU 15 CO 0.09 1.08 -0.36 -0.78 0.09 0.00 0.00 178.44 178.56 1tru h ASP 16 N 0.52 0.39 0.48 -0.43 1.82 -1.15 -2.72 116.42 115.33 1tru h ASP 16 Ca 0.06 -0.16 -0.11 0.00 -0.39 0.00 0.00 57.03 56.43 1tru h ASP 16 Cb 0.84 -0.11 -0.01 0.00 0.68 0.00 0.00 39.33 40.72 1tru h ASP 16 CO 0.07 0.73 -0.51 0.00 -1.61 0.00 0.00 179.24 177.92 1tru h ALA 17 N 1.29 1.14 -0.52 -0.78 0.00 -1.04 -2.89 119.26 116.46 1tru h ALA 17 Ca 0.04 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.45 1tru h ALA 17 Cb 0.79 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1tru h ALA 17 CO 0.06 0.64 0.21 0.00 0.00 0.00 0.00 179.25 180.17 1tru h ALA 18 N 1.46 1.41 0.00 0.00 0.00 -1.03 -3.48 119.26 117.62 1tru h ALA 18 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1tru h ALA 18 Cb 0.91 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1tru h ALA 18 CO 0.07 0.45 0.00 0.41 0.00 0.00 0.00 179.25 180.18 1tru n GLY 19 N -1.12 1.48 0.49 0.00 0.00 -1.09 -3.51 105.19 101.45 1tru n GLY 19 Ca 0.04 -0.70 0.04 0.00 0.00 0.00 0.00 46.02 45.41 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 6.42 2.66 -4.82 1.61 2.03 -1.26 -3.68 116.55 119.51 1tru n ASP 20 Ca 0.00 -1.96 -0.30 0.00 0.52 0.00 0.00 54.79 53.05 1tru n ASP 20 Cb 0.00 -0.17 0.09 0.00 -0.72 0.00 0.00 41.12 40.32 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 2.11 0.70 -0.67 1.02 -1.23 -4.82 119.74 115.87 1tru s LYS 21 Ca 0.18 0.54 -0.16 0.00 0.02 0.00 0.00 55.97 56.55 1tru s LYS 21 Cb 0.09 -1.93 0.02 0.00 -0.52 0.00 0.00 37.83 35.49 1tru s LYS 21 CO 0.12 -1.58 1.22 -1.17 -0.92 0.00 0.00 175.35 173.02 1tru s LEU 22 N -5.72 3.40 -0.31 3.17 0.20 -1.26 -4.66 118.68 113.50 1tru s LEU 22 Ca 0.61 2.39 -0.00 0.00 0.69 0.00 0.00 54.13 57.81 1tru s LEU 22 Cb -0.14 -4.59 0.14 0.00 -0.43 0.00 0.00 46.19 41.17 1tru s LEU 22 CO 0.53 -2.11 0.29 -0.69 -0.29 0.00 0.00 176.35 174.08 1tru s VAL 23 N -1.86 -0.30 -0.27 1.68 1.01 -1.04 -2.74 120.40 116.89 1tru s VAL 23 Ca 0.76 -0.73 -0.10 0.00 0.00 0.00 0.00 61.98 61.90 1tru s VAL 23 Cb -0.30 -0.93 -0.05 0.00 0.00 0.00 0.00 36.38 35.10 1tru s VAL 23 CO 0.43 -0.57 0.17 -0.69 0.00 0.00 0.00 175.10 174.44 1tru s VAL 24 N 2.02 5.19 -0.12 2.92 1.01 -1.02 -0.12 120.40 130.28 1tru s VAL 24 Ca 0.12 0.13 -0.14 0.00 0.00 0.00 0.00 61.98 62.09 1tru s VAL 24 Cb -0.15 -3.46 -0.05 0.00 0.00 0.00 0.00 36.38 32.72 1tru s VAL 24 CO -0.24 0.27 0.32 -0.69 0.00 0.00 0.00 175.10 174.76 1tru s VAL 25 N 1.67 5.26 -0.30 2.92 1.01 0.81 -2.43 120.40 129.34 1tru s VAL 25 Ca 0.07 0.61 -0.07 0.00 0.00 0.00 0.00 61.98 62.59 1tru s VAL 25 Cb -0.16 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.59 1tru s VAL 25 CO 0.09 0.44 0.09 -0.62 0.00 0.00 0.00 175.10 175.10 1tru s ASP 26 N 0.07 5.17 -0.50 3.32 2.15 -0.67 -1.03 116.67 125.19 1tru s ASP 26 Ca 0.18 -0.72 -0.16 0.00 0.43 0.00 0.00 52.55 52.29 1tru s ASP 26 Cb -0.14 -1.89 0.10 0.00 -0.30 0.00 0.00 42.92 40.69 1tru s ASP 26 CO 0.06 -0.20 0.43 -0.36 -0.17 0.00 0.00 175.17 174.94 1tru s PHE 27 N 1.50 3.25 0.18 -5.34 0.08 0.48 -2.60 117.98 115.52 1tru s PHE 27 Ca 0.03 -1.08 -0.03 0.00 0.12 0.00 0.00 56.93 55.96 1tru s PHE 27 Cb -0.17 -3.42 -0.03 0.00 -0.57 0.00 0.00 43.02 38.83 1tru s PHE 27 CO 0.03 -0.89 0.16 -1.12 -0.10 0.00 0.00 175.22 173.30 1tru s SER 28 N 2.99 0.17 -0.53 1.36 0.01 -1.18 -1.63 113.70 114.88 1tru s SER 28 Ca 0.04 -1.23 -0.18 0.00 1.31 0.00 0.00 55.95 55.89 1tru s SER 28 Cb -0.27 0.38 0.09 0.00 0.21 0.00 0.00 66.02 66.44 1tru s SER 28 CO 0.05 -0.84 0.57 0.00 0.41 0.00 0.00 173.24 173.43 1tru s ALA 29 N -4.09 3.49 0.54 1.44 0.00 -1.26 -3.10 121.76 118.78 1tru s ALA 29 Ca 0.30 -2.16 0.23 0.00 0.00 0.00 0.00 51.96 50.34 1tru s ALA 29 Cb 0.06 -3.33 1.42 0.00 0.00 0.00 0.00 23.12 21.28 1tru s ALA 29 CO 0.07 -2.06 2.07 0.00 0.00 0.00 0.00 175.76 175.84 1tru h THR 30 N 5.86 0.75 -0.00 0.00 1.03 -1.95 0.10 112.91 118.70 1tru h THR 30 Ca -0.29 0.00 -0.17 0.00 -0.01 0.00 0.00 66.41 65.94 1tru h THR 30 Cb 1.10 0.84 -0.02 0.00 -1.07 0.00 0.00 68.15 69.00 1tru h THR 30 CO 1.01 0.00 -0.78 4.11 -0.01 0.00 0.00 175.52 179.85 1tru h TRP 31 N 0.00 0.09 -3.73 0.00 5.08 -2.02 -3.45 115.95 111.92 1tru h TRP 31 Ca 0.14 -0.05 -0.47 0.00 1.08 0.00 0.00 58.89 59.59 1tru h TRP 31 Cb 0.58 -0.01 0.19 0.00 -3.00 0.00 0.00 29.16 26.92 1tru h TRP 31 CO 0.00 0.81 0.13 0.00 -1.28 0.00 0.00 178.44 178.10 1tru n GLY 33 N -0.01 -0.38 0.34 0.00 0.00 -1.26 -3.99 105.19 99.88 1tru n GLY 33 Ca 0.06 0.00 0.15 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 -1.17 132.00 130.60 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 -0.14 0.00 -0.21 0.00 0.00 178.00 177.65 1tru n LYS 36 N -4.63 0.03 0.16 0.00 4.81 -0.61 -2.05 118.16 115.86 1tru n LYS 36 Ca -0.10 0.32 0.12 0.00 -0.87 0.00 0.00 58.31 57.78 1tru n LYS 36 Cb 0.38 -1.50 0.55 0.00 0.02 0.00 0.00 35.03 34.48 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 -1.30 -2.33 114.93 116.14 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 0.14 0.00 -0.15 0.00 -0.80 0.00 0.00 31.60 30.79 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 -2.34 2.65 0.05 1.77 5.41 -0.87 -4.35 119.36 121.68 1tru n ILE 38 Ca 0.01 -1.44 0.01 0.00 1.00 0.00 0.00 62.75 62.33 1tru n ILE 38 Cb 0.18 -0.46 -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 1.89 0.00 0.00 0.38 2.10 -1.65 -3.25 116.57 116.04 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 2.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.58 1tru h LYS 39 CO 0.73 0.29 0.00 -0.35 -2.00 0.00 0.00 179.45 178.11 1tru n PRO 40 N -2.91 0.68 0.00 0.07 -0.04 -1.26 -2.68 135.00 128.86 1tru n PRO 40 Ca -0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1tru n PRO 40 Cb 0.81 -1.23 0.00 0.00 -0.04 0.00 0.00 33.50 33.04 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 -0.73 0.00 0.38 0.54 3.01 -1.25 -4.36 117.46 115.05 1tru n PHE 41 Ca 0.08 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.39 1tru n PHE 41 Cb 0.03 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.43 1tru n PHE 41 CO 0.00 0.00 0.00 0.35 1.01 0.00 0.00 176.76 178.12 1tru h PHE 42 N 0.00 -0.91 0.00 1.38 3.57 -1.68 -1.96 116.94 117.35 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 0.30 0.00 0.00 2.79 0.00 0.00 35.95 39.04 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 -4.63 0.00 0.05 0.41 -0.00 -1.09 -2.00 115.22 107.97 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 -0.21 -0.06 0.00 -0.12 0.00 0.00 29.99 29.99 1tru n HIS 43 CO 0.00 0.00 0.00 1.03 0.46 0.00 0.00 176.34 177.83 1tru h SER 44 N 0.00 0.00 0.03 0.26 0.87 -1.28 -3.30 113.55 110.13 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 0.53 0.00 0.18 -0.53 0.00 0.00 176.83 177.01 1tru n LEU 45 N -2.92 0.34 -0.09 2.23 4.77 -0.85 -1.80 117.00 118.68 1tru n LEU 45 Ca -0.07 0.65 0.09 0.00 -0.03 0.00 0.00 56.01 56.66 1tru n LEU 45 Cb 0.80 -0.69 0.46 0.00 -2.33 0.00 0.00 43.42 41.66 1tru n LEU 45 CO 0.42 -0.75 1.19 0.28 -1.33 0.00 0.00 177.39 177.20 1tru h SER 46 N 0.00 0.44 0.77 -1.43 0.02 -1.76 0.60 113.55 112.20 1tru h SER 46 Ca 0.00 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 60.79 1tru h SER 46 Cb 0.01 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.44 1tru h SER 46 CO 0.00 0.28 -1.33 -0.33 -1.14 0.00 0.00 176.83 174.31 1tru h GLU 47 N 0.50 0.00 0.00 3.45 5.08 -1.65 -3.34 114.58 118.62 1tru h GLU 47 Ca 0.26 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.58 1tru h GLU 47 Cb 0.38 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1tru h GLU 47 CO -0.08 0.32 -0.37 -0.22 -1.00 0.00 0.00 179.01 177.66 1tru h LYS 48 N 0.00 0.00 -3.50 2.33 1.63 -1.33 -3.41 116.57 112.28 1tru h LYS 48 Ca -0.15 0.00 -0.73 0.00 -0.85 0.00 0.00 60.65 58.92 1tru h LYS 48 Cb 1.58 0.00 -0.33 0.00 -0.60 0.00 0.00 32.23 32.88 1tru h LYS 48 CO 0.05 0.35 -0.09 0.71 -3.45 0.00 0.00 179.45 177.03 1tru s TYR 49 N -2.02 3.76 -1.42 1.91 2.02 0.20 -4.87 117.35 116.93 1tru s TYR 49 Ca -0.13 -2.74 0.17 0.00 -0.37 0.00 0.00 57.07 54.00 1tru s TYR 49 Cb 0.01 -3.38 0.83 0.00 -0.40 0.00 0.00 41.96 39.02 1tru s TYR 49 CO 0.29 -0.83 1.48 -1.13 -1.57 0.00 0.00 175.55 173.80 1tru n SER 50 N 2.98 0.00 -2.18 2.29 3.41 -1.25 -2.73 113.62 116.14 1tru n SER 50 Ca 0.16 0.06 -0.24 0.00 -0.26 0.00 0.00 58.87 58.60 1tru n SER 50 Cb 0.39 -0.29 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 -1.29 4.13 -4.05 4.04 5.15 -1.26 -4.49 115.26 117.49 1tru n ASN 51 Ca 0.08 -3.54 -0.19 0.00 -0.60 0.00 0.00 54.58 50.32 1tru n ASN 51 Cb 0.13 -0.84 -0.14 0.00 -0.53 0.00 0.00 39.78 38.40 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 -3.28 0.80 -0.28 3.44 1.01 -1.10 -4.71 120.40 116.28 1tru s VAL 52 Ca 0.55 -0.53 -0.12 0.00 0.00 0.00 0.00 61.98 61.88 1tru s VAL 52 Cb 0.46 -0.69 -0.05 0.00 0.00 0.00 0.00 36.38 36.10 1tru s VAL 52 CO 0.09 0.16 0.24 -0.63 0.00 0.00 0.00 175.10 174.96 1tru s ILE 53 N -0.37 5.28 -0.14 2.22 -1.09 -1.11 -4.07 121.20 121.92 1tru s ILE 53 Ca 0.03 0.27 -0.01 0.00 -2.23 0.00 0.00 60.65 58.71 1tru s ILE 53 Cb -0.05 -3.57 -0.01 0.00 -1.58 0.00 0.00 42.46 37.25 1tru s ILE 53 CO -0.00 0.23 -0.12 -0.36 -1.23 0.00 0.00 174.94 173.46 1tru s PHE 54 N 1.83 2.83 -0.10 3.97 0.08 -1.24 -2.44 117.98 122.92 1tru s PHE 54 Ca 0.09 -0.71 -0.01 0.00 0.12 0.00 0.00 56.93 56.41 1tru s PHE 54 Cb -0.16 -1.88 -0.03 0.00 -0.57 0.00 0.00 43.02 40.38 1tru s PHE 54 CO 0.11 -0.27 -0.05 -0.51 -0.10 0.00 0.00 175.22 174.40 1tru s LEU 55 N 0.53 3.27 -0.14 -0.37 1.02 -1.02 -3.12 118.68 118.85 1tru s LEU 55 Ca -0.08 -0.02 -0.01 0.00 0.02 0.00 0.00 54.13 54.03 1tru s LEU 55 Cb -0.16 -1.74 -0.02 0.00 0.02 0.00 0.00 46.19 44.29 1tru s LEU 55 CO 0.04 0.30 -0.11 -0.70 0.02 0.00 0.00 176.35 175.90 1tru s GLU 56 N -0.45 3.46 -0.05 1.70 2.12 -1.11 -1.67 118.70 122.70 1tru s GLU 56 Ca 0.07 -0.64 0.02 0.00 0.36 0.00 0.00 54.97 54.78 1tru s GLU 56 Cb -0.12 -2.70 0.01 0.00 0.26 0.00 0.00 34.13 31.58 1tru s GLU 56 CO 0.02 0.22 -0.10 0.08 -0.54 0.00 0.00 175.26 174.94 1tru s VAL 57 N 0.35 0.95 -0.33 3.70 1.01 -1.07 -1.82 120.40 123.18 1tru s VAL 57 Ca -0.09 -0.40 -0.14 0.00 0.00 0.00 0.00 61.98 61.35 1tru s VAL 57 Cb -0.15 -0.87 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 1tru s VAL 57 CO 0.05 0.30 0.31 -0.62 0.00 0.00 0.00 175.10 175.15 1tru s ASP 58 N 0.54 6.14 0.00 3.32 2.15 -1.26 -3.12 116.67 124.43 1tru s ASP 58 Ca -0.10 -0.20 0.02 0.00 0.43 0.00 0.00 52.55 52.70 1tru s ASP 58 Cb -0.13 -2.18 0.13 0.00 -0.30 0.00 0.00 42.92 40.44 1tru s ASP 58 CO 0.02 -0.27 0.41 1.33 -0.17 0.00 0.00 175.17 176.50 1tru n VAL 59 N 5.18 0.00 -0.05 1.11 0.24 -1.18 -1.19 118.33 122.44 1tru n VAL 59 Ca -0.10 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.13 1tru n VAL 59 Cb 0.50 -0.60 -0.05 0.00 -1.47 0.00 0.00 33.84 32.22 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 -0.69 3.23 0.04 -1.34 9.92 -1.26 -4.35 116.55 122.10 1tru n ASP 60 Ca 0.02 -0.04 -0.22 0.00 -0.53 0.00 0.00 54.79 54.01 1tru n ASP 60 Cb 0.01 -0.01 -0.14 0.00 -0.64 0.00 0.00 41.12 40.33 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 0.52 -2.01 -2.24 3.58 -1.82 -3.37 116.42 111.08 1tru h ASP 61 Ca -0.21 -0.91 -0.74 0.00 0.42 0.00 0.00 57.03 55.58 1tru h ASP 61 Cb 1.36 -0.17 -0.30 0.00 1.72 0.00 0.00 39.33 41.94 1tru h ASP 61 CO -0.03 1.74 0.67 0.00 -2.88 0.00 0.00 179.24 178.75 1tru n ALA 62 N -2.92 6.06 0.10 -0.78 0.00 -0.34 -4.74 120.51 117.90 1tru n ALA 62 Ca -0.26 -4.32 0.06 0.00 0.00 0.00 0.00 53.44 48.92 1tru n ALA 62 Cb 1.01 -1.74 0.32 0.00 0.00 0.00 0.00 19.45 19.05 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 -0.39 0.08 -0.02 0.00 6.02 -1.26 -1.14 117.38 120.67 1tru n GLN 63 Ca 0.48 0.55 -0.17 0.00 -0.01 0.00 0.00 57.00 57.85 1tru n GLN 63 Cb 0.31 -1.83 -0.09 0.00 1.02 0.00 0.00 30.24 29.65 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 0.70 0.97 1.08 2.03 -1.93 -2.83 116.42 116.44 1tru h ASP 64 Ca 0.00 -0.66 -0.10 0.00 -0.73 0.00 0.00 57.03 55.54 1tru h ASP 64 Cb 0.16 -0.21 -0.01 0.00 -0.83 0.00 0.00 39.33 38.44 1tru h ASP 64 CO 0.00 1.25 -0.49 0.58 -1.03 0.00 0.00 179.24 179.55 1tru h VAL 65 N 0.20 1.03 -0.56 4.15 2.07 -1.51 -2.84 116.25 118.79 1tru h VAL 65 Ca -0.05 -1.93 -0.10 0.00 0.82 0.00 0.00 66.70 65.44 1tru h VAL 65 Cb 1.26 2.15 -0.02 0.00 -1.52 0.00 0.00 31.29 33.16 1tru h VAL 65 CO 0.12 0.49 -0.03 0.00 0.02 0.00 0.00 177.57 178.17 1tru h ALA 66 N 1.51 0.76 -0.07 1.67 0.00 -1.45 0.13 119.26 121.81 1tru h ALA 66 Ca -0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 1tru h ALA 66 Cb 1.11 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 1tru h ALA 66 CO 0.06 0.62 -0.07 1.03 0.00 0.00 0.00 179.25 180.89 1tru h SER 67 N 0.89 0.18 -0.61 0.00 0.87 -1.45 -1.21 113.55 112.23 1tru h SER 67 Ca 0.15 -0.49 -0.03 0.00 -1.23 0.00 0.00 61.79 60.20 1tru h SER 67 Cb 0.59 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.47 1tru h SER 67 CO 0.04 0.63 0.28 -0.08 -0.53 0.00 0.00 176.83 177.17 1tru h GLU 68 N -0.26 0.88 0.00 2.24 4.57 -1.46 -0.78 114.58 119.78 1tru h GLU 68 Ca 0.01 -0.14 0.00 0.00 -1.18 0.00 0.00 59.36 58.05 1tru h GLU 68 Cb 0.58 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 1tru h GLU 68 CO 0.02 0.72 0.00 0.00 -1.18 0.00 0.00 179.01 178.57 1tru n ALA 69 N -2.35 2.18 -3.76 2.92 0.00 0.46 -4.87 120.51 115.09 1tru n ALA 69 Ca 0.04 -0.11 -0.23 0.00 0.00 0.00 0.00 53.44 53.14 1tru n ALA 69 Cb 0.14 -1.35 0.03 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 -1.19 -4.79 -2.80 0.00 1.02 -0.30 -4.89 120.64 107.69 1tru n GLU 70 Ca 0.12 0.59 -0.43 0.00 -0.02 0.00 0.00 57.16 57.43 1tru n GLU 70 Cb 0.14 -5.14 -0.04 0.00 -0.02 0.00 0.00 31.44 26.38 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 -3.66 4.40 0.00 2.62 1.01 -0.55 -4.81 120.40 119.41 1tru s VAL 71 Ca 0.08 0.61 0.00 0.00 0.00 0.00 0.00 61.98 62.67 1tru s VAL 71 Cb -0.04 -4.50 0.00 0.00 0.00 0.00 0.00 36.38 31.84 1tru s VAL 71 CO 0.82 -0.97 0.83 0.29 0.00 0.00 0.00 175.10 176.07 1tru n LYS 72 N 7.38 1.77 -3.31 2.72 5.02 -1.26 -4.91 118.16 125.57 1tru n LYS 72 Ca 0.05 -1.17 -0.10 0.00 -2.02 0.00 0.00 58.31 55.08 1tru n LYS 72 Cb 0.48 -0.97 -0.06 0.00 -0.02 0.00 0.00 35.03 34.47 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 -0.68 -1.15 0.22 7.82 0.00 -1.26 -5.15 121.76 121.56 1tru s ALA 73 Ca 0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 51.96 51.92 1tru s ALA 73 Cb 0.00 -2.13 -0.05 0.00 0.00 0.00 0.00 23.12 20.94 1tru s ALA 73 CO 0.00 -1.87 0.43 0.95 0.00 0.00 0.00 175.76 175.28 1tru s THR 74 N 2.28 5.15 0.50 0.00 -4.23 -1.26 -4.05 115.64 114.02 1tru s THR 74 Ca 0.11 -0.19 -0.19 0.00 -1.18 0.00 0.00 61.69 60.25 1tru s THR 74 Cb -0.12 -3.72 -0.08 0.00 1.34 0.00 0.00 72.50 69.92 1tru s THR 74 CO -0.23 -0.18 1.01 -2.16 -0.54 0.00 0.00 174.62 172.51 1tru s PRO 75 N -3.29 3.83 -0.03 3.99 0.04 -1.26 -5.01 135.00 133.26 1tru s PRO 75 Ca 0.40 1.19 -0.00 0.00 0.04 0.00 0.00 61.00 62.63 1tru s PRO 75 Cb -0.11 -2.11 0.03 0.00 0.04 0.00 0.00 34.50 32.35 1tru s PRO 75 CO 0.29 -0.39 0.02 0.99 0.04 0.00 0.00 177.00 177.95 1tru s THR 76 N -2.26 0.06 -0.08 1.26 2.01 -0.64 -3.34 115.64 112.66 1tru s THR 76 Ca 0.63 0.21 -0.00 0.00 0.31 0.00 0.00 61.69 62.84 1tru s THR 76 Cb -0.13 -0.21 -0.03 0.00 0.01 0.00 0.00 72.50 72.13 1tru s THR 76 CO 0.24 0.15 -0.04 -0.36 -0.69 0.00 0.00 174.62 173.92 1tru s PHE 77 N 1.39 3.03 0.01 4.92 0.40 -1.10 -0.39 117.98 126.25 1tru s PHE 77 Ca -0.05 0.09 0.05 0.00 -0.60 0.00 0.00 56.93 56.42 1tru s PHE 77 Cb -0.13 -1.74 -0.02 0.00 0.51 0.00 0.00 43.02 41.64 1tru s PHE 77 CO -0.03 0.39 -0.16 -0.65 0.70 0.00 0.00 175.22 175.47 1tru s GLN 78 N -0.83 1.16 -0.20 0.44 -0.21 -0.20 -2.18 119.66 117.63 1tru s GLN 78 Ca 0.13 -0.68 -0.07 0.00 0.02 0.00 0.00 55.36 54.76 1tru s GLN 78 Cb -0.11 -1.16 -0.03 0.00 1.00 0.00 0.00 33.01 32.70 1tru s GLN 78 CO 0.02 0.31 0.05 -0.06 -2.12 0.00 0.00 175.29 173.48 1tru s PHE 79 N -0.59 3.15 0.19 0.91 0.40 0.84 -0.13 117.98 122.75 1tru s PHE 79 Ca 0.05 -0.16 0.08 0.00 -0.60 0.00 0.00 56.93 56.30 1tru s PHE 79 Cb -0.07 -2.12 -0.04 0.00 0.51 0.00 0.00 43.02 41.30 1tru s PHE 79 CO 0.00 -0.06 -0.16 -0.06 0.70 0.00 0.00 175.22 175.64 1tru s PHE 80 N 0.83 1.75 -0.20 0.36 0.08 0.84 -1.56 117.98 120.07 1tru s PHE 80 Ca 0.03 -0.52 -0.10 0.00 0.12 0.00 0.00 56.93 56.46 1tru s PHE 80 Cb -0.14 -0.84 0.07 0.00 -0.57 0.00 0.00 43.02 41.55 1tru s PHE 80 CO 0.02 0.35 0.47 0.21 -0.10 0.00 0.00 175.22 176.17 1tru s LYS 81 N -3.25 0.43 -1.38 0.44 2.47 0.21 -2.48 119.74 116.19 1tru s LYS 81 Ca 0.19 0.96 0.00 0.00 -1.56 0.00 0.00 55.97 55.57 1tru s LYS 81 Cb -0.03 0.15 0.00 0.00 -1.46 0.00 0.00 37.83 36.49 1tru s LYS 81 CO 0.07 -0.18 0.00 1.63 0.16 0.00 0.00 175.35 177.02 1tru n LYS 82 N 4.64 -1.65 -0.92 4.03 5.02 -1.24 0.70 118.16 128.74 1tru n LYS 82 Ca -0.18 0.77 0.00 0.00 -2.02 0.00 0.00 58.31 56.88 1tru n LYS 82 Cb 0.54 -5.19 0.00 0.00 -0.02 0.00 0.00 35.03 30.36 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 -0.52 0.45 3.10 0.72 0.00 -1.26 -5.01 105.19 102.67 1tru n GLY 83 Ca -0.15 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.84 2.35 0.08 1.61 -0.21 0.22 -5.10 119.66 116.77 1tru s GLN 84 Ca 0.00 -0.63 -0.31 0.00 0.02 0.00 0.00 55.36 54.45 1tru s GLN 84 Cb 0.00 -1.90 -0.08 0.00 1.00 0.00 0.00 33.01 32.03 1tru s GLN 84 CO 0.00 0.03 1.55 0.21 -2.12 0.00 0.00 175.29 174.96 1tru s LYS 85 N 0.71 4.23 -0.10 2.91 2.20 -1.26 -0.61 119.74 127.81 1tru s LYS 85 Ca -0.12 2.23 0.04 0.00 -0.36 0.00 0.00 55.97 57.76 1tru s LYS 85 Cb -0.16 -3.47 -0.09 0.00 -1.51 0.00 0.00 37.83 32.60 1tru s LYS 85 CO 0.03 -0.64 -0.04 1.33 -0.36 0.00 0.00 175.35 175.66 1tru n VAL 86 N 4.49 0.64 -3.90 4.02 0.24 -0.60 -4.92 118.33 118.30 1tru n VAL 86 Ca 0.14 -0.31 -0.08 0.00 -2.04 0.00 0.00 64.34 62.06 1tru n VAL 86 Cb 0.41 -0.84 -0.03 0.00 -1.47 0.00 0.00 33.84 31.91 1tru n VAL 86 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1tru s GLY 87 N -4.68 0.10 -0.14 7.63 0.00 -1.18 -5.03 107.32 104.03 1tru s GLY 87 Ca -0.11 -0.48 -0.30 0.00 0.00 0.00 0.00 44.72 43.83 1tru s GLY 87 CO 0.31 -0.26 1.03 -1.83 0.00 0.00 0.00 173.10 172.35 1tru s GLU 88 N -3.95 0.56 -0.28 2.90 1.03 -1.26 -0.11 118.70 117.59 1tru s GLU 88 Ca 0.14 0.01 -0.21 0.00 0.03 0.00 0.00 54.97 54.94 1tru s GLU 88 Cb -0.04 0.26 0.12 0.00 -0.80 0.00 0.00 34.13 33.66 1tru s GLU 88 CO 0.07 -0.20 0.92 -0.59 -1.33 0.00 0.00 175.26 174.13 1tru s PHE 89 N -1.69 -0.64 -0.17 4.83 -0.12 -0.93 -4.99 117.98 114.27 1tru s PHE 89 Ca 0.02 1.41 -0.04 0.00 -0.05 0.00 0.00 56.93 58.26 1tru s PHE 89 Cb -0.01 0.39 -0.03 0.00 -0.63 0.00 0.00 43.02 42.74 1tru s PHE 89 CO -0.02 -0.31 -0.02 -1.54 -0.05 0.00 0.00 175.22 173.28 1tru s SER 90 N 0.79 4.86 0.00 1.98 1.04 -1.26 -2.70 113.70 118.40 1tru s SER 90 Ca -0.03 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.26 1tru s SER 90 Cb -0.05 -1.81 0.00 0.00 0.10 0.00 0.00 66.02 64.26 1tru s SER 90 CO -0.10 0.13 0.00 0.61 0.98 0.00 0.00 173.24 174.86 1tru n GLY 91 N 3.81 3.59 2.12 7.32 0.00 -1.21 -4.99 105.19 115.83 1tru n GLY 91 Ca -0.17 -0.42 -0.20 0.00 0.00 0.00 0.00 46.02 45.23 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 -0.95 6.70 -3.45 4.61 0.00 -1.26 -4.74 120.51 121.42 1tru n ALA 92 Ca 0.00 -2.39 -0.42 0.00 0.00 0.00 0.00 53.44 50.63 1tru n ALA 92 Cb 0.00 -2.59 -0.03 0.00 0.00 0.00 0.00 19.45 16.84 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 1.90 6.76 0.51 0.00 3.04 -1.26 -4.87 114.94 121.02 1tru s ASN 93 Ca 0.67 -3.49 0.17 0.00 0.04 0.00 0.00 52.86 50.25 1tru s ASN 93 Cb 0.29 -2.10 1.26 0.00 -1.54 0.00 0.00 41.25 39.15 1tru s ASN 93 CO -0.03 -0.29 2.11 0.07 -3.04 0.00 0.00 177.10 175.91 1tru h LYS 94 N 6.62 0.05 -0.04 0.43 2.10 -1.98 -0.94 116.57 122.82 1tru h LYS 94 Ca 0.15 -0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.69 1tru h LYS 94 Cb 0.88 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.18 1tru h LYS 94 CO 0.92 0.04 -0.47 0.93 -2.00 0.00 0.00 179.45 178.87 1tru h GLU 95 N 0.06 0.10 -0.09 0.07 5.08 -1.99 -2.95 114.58 114.85 1tru h GLU 95 Ca 0.07 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 1tru h GLU 95 Cb 0.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.45 1tru h GLU 95 CO -0.01 0.55 -0.39 -0.22 -1.00 0.00 0.00 179.01 177.94 1tru h LYS 96 N 0.08 0.20 -0.98 2.33 3.64 -1.58 -2.95 116.57 117.31 1tru h LYS 96 Ca 0.00 -0.09 0.20 0.00 -1.27 0.00 0.00 60.65 59.50 1tru h LYS 96 Cb 0.86 -0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 32.56 1tru h LYS 96 CO 0.07 0.56 0.57 -0.07 -2.27 0.00 0.00 179.45 178.30 1tru h LEU 97 N 0.17 0.69 0.19 5.20 3.38 -1.47 0.52 115.31 123.99 1tru h LEU 97 Ca 0.02 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 1tru h LEU 97 Cb 0.76 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1tru h LEU 97 CO 0.06 0.20 -0.09 -0.08 0.09 0.00 0.00 178.44 178.62 1tru h GLU 98 N 0.67 -0.25 -0.70 1.13 4.81 -1.67 0.26 114.58 118.83 1tru h GLU 98 Ca 0.58 0.02 0.07 0.00 -0.13 0.00 0.00 59.36 59.90 1tru h GLU 98 Cb 0.96 0.06 -0.06 0.00 0.63 0.00 0.00 28.75 30.34 1tru h GLU 98 CO -0.42 0.05 0.38 0.00 -0.73 0.00 0.00 179.01 178.30 1tru h ALA 99 N 0.17 0.96 -0.04 2.92 0.00 -1.34 0.10 119.26 122.04 1tru h ALA 99 Ca -0.03 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1tru h ALA 99 Cb 0.42 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1tru h ALA 99 CO 0.04 0.03 -0.08 1.15 0.00 0.00 0.00 179.25 180.40 1tru h THR 100 N 0.68 1.42 -0.97 0.00 2.02 -0.87 -2.85 112.91 112.34 1tru h THR 100 Ca 0.33 -1.37 0.07 0.00 0.77 0.00 0.00 66.41 66.20 1tru h THR 100 Cb 0.26 2.24 -0.06 0.00 -1.74 0.00 0.00 68.15 68.85 1tru h THR 100 CO -0.22 0.37 0.63 0.40 0.37 0.00 0.00 175.52 177.08 1tru h ILE 101 N -0.39 1.08 0.00 3.11 2.04 -0.19 0.50 117.51 123.67 1tru h ILE 101 Ca 0.00 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.48 1tru h ILE 101 Cb 0.64 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 1tru h ILE 101 CO 0.02 0.21 0.00 -3.20 0.00 0.00 0.00 178.15 175.17 1tru n ASN 102 N -4.49 0.00 -0.06 1.72 5.15 0.33 -2.13 115.26 115.78 1tru n ASN 102 Ca 0.15 -0.42 -0.06 0.00 -0.60 0.00 0.00 54.58 53.65 1tru n ASN 102 Cb 0.19 -0.11 -0.06 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 -0.62 1.20 4.57 0.25 -3.35 114.58 116.63 1tru h GLU 103 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1tru h GLU 103 Cb 0.07 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.66 1tru h GLU 103 CO 0.00 0.42 0.00 1.28 -1.18 0.00 0.00 179.01 179.53 1tru n LEU 104 N -4.70 5.19 0.00 1.64 4.77 -1.20 -5.12 117.00 117.58 1tru n LEU 104 Ca -0.05 -2.63 0.06 0.00 -0.03 0.00 0.00 56.01 53.36 1tru n LEU 104 Cb 0.22 -0.65 0.34 0.00 -2.33 0.00 0.00 43.42 41.01 1tru n LEU 104 CO 0.14 0.65 0.56 0.55 -1.33 0.00 0.00 177.39 177.96