#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 -2.79 120.40 119.37 1tru s VAL 2 Ca 0.00 -1.33 -0.07 0.00 0.00 0.00 0.00 61.98 60.58 1tru s VAL 2 Cb 0.00 -1.33 0.08 0.00 0.00 0.00 0.00 36.38 35.13 1tru s VAL 2 CO 0.00 -0.74 0.40 -0.75 0.00 0.00 0.00 175.10 174.01 1tru s LYS 3 N -3.71 0.31 -0.20 2.72 2.47 -1.18 -5.00 119.74 115.14 1tru s LYS 3 Ca 0.04 0.97 -0.28 0.00 -1.56 0.00 0.00 55.97 55.14 1tru s LYS 3 Cb 0.05 0.25 0.00 0.00 -1.46 0.00 0.00 37.83 36.67 1tru s LYS 3 CO -0.10 -0.25 1.00 -1.14 0.16 0.00 0.00 175.35 175.03 1tru s GLN 4 N 2.46 4.29 -0.49 4.03 0.74 -1.26 -3.01 119.66 126.41 1tru s GLN 4 Ca -0.02 1.31 -0.23 0.00 0.05 0.00 0.00 55.36 56.47 1tru s GLN 4 Cb -0.12 -3.62 0.04 0.00 1.10 0.00 0.00 33.01 30.41 1tru s GLN 4 CO -0.12 -0.54 0.80 0.42 -0.55 0.00 0.00 175.29 175.30 1tru s ILE 5 N 2.88 4.61 -0.41 -2.34 -1.09 -1.19 -4.88 121.20 118.79 1tru s ILE 5 Ca 0.44 0.23 0.23 0.00 -2.23 0.00 0.00 60.65 59.32 1tru s ILE 5 Cb -0.16 -4.38 -0.02 0.00 -1.58 0.00 0.00 42.46 36.32 1tru s ILE 5 CO 0.09 -0.85 1.09 -0.62 -1.23 0.00 0.00 174.94 173.42 1tru n GLU 6 N 6.84 0.46 -3.55 2.79 -0.58 -1.26 -4.54 120.64 120.80 1tru n GLU 6 Ca 0.01 0.07 -0.11 0.00 -0.42 0.00 0.00 57.16 56.71 1tru n GLU 6 Cb 0.48 -1.73 -0.02 0.00 -0.57 0.00 0.00 31.44 29.59 1tru n GLU 6 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 1tru s SER 7 N -4.73 -0.47 0.61 1.62 1.04 -1.26 -4.44 113.70 106.07 1tru s SER 7 Ca 0.02 -0.18 0.29 0.00 0.48 0.00 0.00 55.95 56.56 1tru s SER 7 Cb 0.12 0.62 1.59 0.00 0.10 0.00 0.00 66.02 68.45 1tru s SER 7 CO 0.78 -1.06 1.96 0.50 0.98 0.00 0.00 173.24 176.40 1tru h LYS 8 N 2.02 0.00 0.68 4.02 3.64 -1.93 -1.60 116.57 123.40 1tru h LYS 8 Ca -0.30 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.05 1tru h LYS 8 Cb 1.29 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.11 1tru h LYS 8 CO 0.35 0.00 -0.35 1.15 -2.27 0.00 0.00 179.45 178.32 1tru h THR 9 N 0.00 0.28 0.00 1.00 2.02 -2.01 -1.94 112.91 112.26 1tru h THR 9 Ca 0.11 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.27 1tru h THR 9 Cb 0.84 0.28 -0.00 0.00 -1.74 0.00 0.00 68.15 67.52 1tru h THR 9 CO -0.00 0.00 -0.10 0.00 0.37 0.00 0.00 175.52 175.79 1tru h ALA 10 N -0.65 1.41 0.56 6.16 0.00 -1.71 -2.67 119.26 122.35 1tru h ALA 10 Ca -0.09 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1tru h ALA 10 Cb 0.74 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.52 1tru h ALA 10 CO 0.13 0.13 -0.27 0.35 0.00 0.00 0.00 179.25 179.59 1tru h PHE 11 N 0.00 -0.69 0.19 0.00 3.57 -0.98 0.27 116.94 119.30 1tru h PHE 11 Ca -0.00 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.47 1tru h PHE 11 Cb 0.26 0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.23 1tru h PHE 11 CO 0.00 -0.40 -0.09 1.96 -2.23 0.00 0.00 178.31 177.54 1tru h GLN 12 N -0.82 -0.25 -0.12 1.11 4.20 -1.27 -2.29 115.11 115.68 1tru h GLN 12 Ca -0.08 0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.68 1tru h GLN 12 Cb 0.60 0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.43 1tru h GLN 12 CO 0.13 -0.03 0.09 0.93 -0.67 0.00 0.00 178.83 179.28 1tru h GLU 13 N -0.44 0.00 -0.35 1.46 4.39 -1.49 -1.63 114.58 116.52 1tru h GLU 13 Ca -0.03 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.51 1tru h GLU 13 Cb 0.34 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.98 1tru h GLU 13 CO 0.04 0.00 -0.42 0.00 -1.16 0.00 0.00 179.01 177.48 1tru h ALA 14 N 1.94 0.53 -0.17 3.43 0.00 -0.08 0.42 119.26 125.32 1tru h ALA 14 Ca 0.06 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.44 1tru h ALA 14 Cb 0.23 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1tru h ALA 14 CO -0.00 0.65 -0.14 -0.07 0.00 0.00 0.00 179.25 179.69 1tru h LEU 15 N 0.71 0.41 -0.84 0.00 3.38 -0.77 -1.03 115.31 117.18 1tru h LEU 15 Ca 0.05 -0.46 -0.10 0.00 0.09 0.00 0.00 57.88 57.45 1tru h LEU 15 Cb 1.01 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1tru h LEU 15 CO 0.10 0.79 -0.23 -0.78 0.09 0.00 0.00 178.44 178.40 1tru h ASP 16 N 0.04 0.61 0.63 -0.43 1.82 -1.38 -2.48 116.42 115.23 1tru h ASP 16 Ca 0.03 -0.21 -0.08 0.00 -0.39 0.00 0.00 57.03 56.38 1tru h ASP 16 Cb 0.66 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 40.49 1tru h ASP 16 CO 0.04 0.83 -0.40 0.00 -1.61 0.00 0.00 179.24 178.10 1tru h ALA 17 N 1.22 1.12 -0.28 -0.78 0.00 -0.83 -2.77 119.26 116.94 1tru h ALA 17 Ca 0.08 -0.36 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 1tru h ALA 17 Cb 0.69 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.40 1tru h ALA 17 CO 0.05 0.50 0.06 0.00 0.00 0.00 0.00 179.25 179.86 1tru h ALA 18 N 1.60 1.59 0.00 0.00 0.00 -0.70 -3.48 119.26 118.28 1tru h ALA 18 Ca -0.00 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1tru h ALA 18 Cb 0.82 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1tru h ALA 18 CO 0.05 0.31 0.00 0.41 0.00 0.00 0.00 179.25 180.02 1tru n GLY 19 N -1.15 1.35 0.53 0.00 0.00 -1.05 -3.41 105.19 101.45 1tru n GLY 19 Ca 0.01 -0.67 0.05 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 6.95 2.80 -4.83 1.61 2.03 -1.26 -3.77 116.55 120.07 1tru n ASP 20 Ca 0.00 -2.08 -0.31 0.00 0.52 0.00 0.00 54.79 52.93 1tru n ASP 20 Cb 0.00 -0.21 0.04 0.00 -0.72 0.00 0.00 41.12 40.23 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 -1.13 3.03 0.72 -0.67 1.02 -1.22 -4.82 119.74 116.67 1tru s LYS 21 Ca 0.20 0.88 -0.15 0.00 0.02 0.00 0.00 55.97 56.92 1tru s LYS 21 Cb 0.11 -2.01 0.04 0.00 -0.52 0.00 0.00 37.83 35.45 1tru s LYS 21 CO 0.12 -1.02 1.19 -1.17 -0.92 0.00 0.00 175.35 173.56 1tru s LEU 22 N -5.48 3.32 -0.30 3.17 0.20 -1.26 -4.64 118.68 113.69 1tru s LEU 22 Ca 0.58 2.31 -0.00 0.00 0.69 0.00 0.00 54.13 57.70 1tru s LEU 22 Cb -0.13 -4.58 0.13 0.00 -0.43 0.00 0.00 46.19 41.18 1tru s LEU 22 CO 0.55 -2.20 0.29 -0.69 -0.29 0.00 0.00 176.35 174.01 1tru s VAL 23 N -2.04 -0.36 -0.27 1.68 1.01 -1.01 -3.30 120.40 116.11 1tru s VAL 23 Ca 0.73 -0.57 -0.11 0.00 0.00 0.00 0.00 61.98 62.04 1tru s VAL 23 Cb -0.28 -0.96 -0.05 0.00 0.00 0.00 0.00 36.38 35.09 1tru s VAL 23 CO 0.45 -0.51 0.18 -0.69 0.00 0.00 0.00 175.10 174.53 1tru s VAL 24 N 2.25 5.29 -0.11 2.92 1.01 -1.06 -0.14 120.40 130.56 1tru s VAL 24 Ca 0.10 0.16 -0.09 0.00 0.00 0.00 0.00 61.98 62.15 1tru s VAL 24 Cb -0.14 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 1tru s VAL 24 CO -0.30 0.29 0.20 -0.69 0.00 0.00 0.00 175.10 174.59 1tru s VAL 25 N 1.51 5.40 -0.25 2.92 1.01 0.50 -2.38 120.40 129.10 1tru s VAL 25 Ca 0.07 0.35 -0.01 0.00 0.00 0.00 0.00 61.98 62.39 1tru s VAL 25 Cb -0.15 -3.48 0.03 0.00 0.00 0.00 0.00 36.38 32.78 1tru s VAL 25 CO 0.09 0.58 -0.07 -0.62 0.00 0.00 0.00 175.10 175.08 1tru s ASP 26 N -0.82 4.33 -0.43 3.32 2.15 -0.83 -1.13 116.67 123.26 1tru s ASP 26 Ca 0.16 -0.95 -0.15 0.00 0.43 0.00 0.00 52.55 52.04 1tru s ASP 26 Cb -0.13 -1.65 0.04 0.00 -0.30 0.00 0.00 42.92 40.88 1tru s ASP 26 CO 0.05 -0.14 0.33 -0.36 -0.17 0.00 0.00 175.17 174.88 1tru s PHE 27 N 1.29 3.24 0.19 -5.34 0.08 0.37 -2.99 117.98 114.83 1tru s PHE 27 Ca -0.01 -0.68 -0.04 0.00 0.12 0.00 0.00 56.93 56.32 1tru s PHE 27 Cb -0.17 -2.76 -0.03 0.00 -0.57 0.00 0.00 43.02 39.49 1tru s PHE 27 CO -0.05 -0.65 0.20 -1.54 -0.10 0.00 0.00 175.22 173.08 1tru s SER 28 N 1.95 0.12 -0.57 1.36 1.04 -1.23 -1.61 113.70 114.74 1tru s SER 28 Ca 0.05 -1.21 -0.19 0.00 0.48 0.00 0.00 55.95 55.08 1tru s SER 28 Cb -0.20 0.41 0.10 0.00 0.10 0.00 0.00 66.02 66.43 1tru s SER 28 CO 0.09 -0.88 0.67 0.00 0.98 0.00 0.00 173.24 174.09 1tru s ALA 29 N -4.09 3.44 0.55 5.32 0.00 -1.26 -3.12 121.76 122.59 1tru s ALA 29 Ca 0.31 -2.21 0.24 0.00 0.00 0.00 0.00 51.96 50.31 1tru s ALA 29 Cb 0.05 -3.47 1.44 0.00 0.00 0.00 0.00 23.12 21.14 1tru s ALA 29 CO 0.08 -2.27 2.05 0.00 0.00 0.00 0.00 175.76 175.63 1tru h THR 30 N 5.91 0.71 0.00 0.00 1.03 -1.95 0.19 112.91 118.80 1tru h THR 30 Ca -0.29 0.00 -0.14 0.00 -0.01 0.00 0.00 66.41 65.96 1tru h THR 30 Cb 1.09 0.81 -0.02 0.00 -1.07 0.00 0.00 68.15 68.96 1tru h THR 30 CO 1.08 0.00 -0.69 4.11 -0.01 0.00 0.00 175.52 180.01 1tru h TRP 31 N 0.00 0.00 -3.94 0.00 5.08 -2.02 -3.45 115.95 111.62 1tru h TRP 31 Ca 0.15 0.00 -0.47 0.00 1.08 0.00 0.00 58.89 59.65 1tru h TRP 31 Cb 0.67 0.00 0.16 0.00 -3.00 0.00 0.00 29.16 26.99 1tru h TRP 31 CO 0.00 0.69 0.20 0.00 -1.28 0.00 0.00 178.44 178.05 1tru n GLY 33 N -0.74 -0.37 0.34 0.00 0.00 -1.26 -3.99 105.19 99.16 1tru n GLY 33 Ca 0.06 0.00 0.15 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 -0.55 132.00 131.21 1tru h PRO 34 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 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 -0.08 0.00 -0.21 0.00 0.00 178.00 177.71 1tru n LYS 36 N -4.68 0.13 0.22 0.00 4.81 -0.63 -2.06 118.16 115.94 1tru n LYS 36 Ca -0.07 0.20 0.15 0.00 -0.87 0.00 0.00 58.31 57.73 1tru n LYS 36 Cb 0.27 -1.50 0.66 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 -0.93 1.64 4.05 -1.17 -2.52 114.93 116.01 1tru h MET 37 Ca 0.00 0.00 -0.32 0.00 -0.28 0.00 0.00 59.70 59.10 1tru h MET 37 Cb 0.09 0.00 -0.19 0.00 -0.80 0.00 0.00 31.60 30.70 1tru h MET 37 CO 0.00 0.00 0.41 -0.89 0.23 0.00 0.00 176.91 176.66 1tru n ILE 38 N -2.67 2.65 0.04 1.77 5.41 -0.88 -4.33 119.36 121.35 1tru n ILE 38 Ca 0.01 -1.45 0.01 0.00 1.00 0.00 0.00 62.75 62.32 1tru n ILE 38 Cb 0.22 -0.52 -0.07 0.00 -0.71 0.00 0.00 39.64 38.56 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 1.34 0.00 0.00 0.38 2.10 -1.69 -3.26 116.57 115.44 1tru h LYS 39 Ca 0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.05 1tru h LYS 39 Cb 2.33 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.66 1tru h LYS 39 CO 0.78 0.27 0.00 -0.35 -2.00 0.00 0.00 179.45 178.15 1tru n PRO 40 N -2.88 0.68 0.00 0.07 -0.04 -1.26 -2.65 135.00 128.91 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 0.81 -1.24 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 -0.74 0.00 0.39 0.54 3.01 -1.25 -4.35 117.46 115.06 1tru n PHE 41 Ca 0.08 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.38 1tru n PHE 41 Cb 0.04 0.00 -0.08 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 -1.02 0.00 1.38 3.57 -1.68 -1.65 116.94 117.55 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 0.35 0.00 0.00 2.79 0.00 0.00 35.95 39.09 1tru h PHE 42 CO 0.00 -0.60 0.00 1.58 -2.23 0.00 0.00 178.31 177.06 1tru n HIS 43 N -4.88 0.00 0.02 0.41 -0.00 -1.08 -2.13 115.22 107.56 1tru n HIS 43 Ca -0.13 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.03 1tru n HIS 43 Cb 0.41 -0.15 -0.10 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 -1.15 0.88 0.09 0.26 2.88 -0.67 -3.78 113.62 112.12 1tru n SER 44 Ca 0.07 0.39 0.06 0.00 -1.33 0.00 0.00 58.87 58.06 1tru n SER 44 Cb 0.06 0.08 0.33 0.00 -0.75 0.00 0.00 64.21 63.94 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 -2.93 0.31 0.11 2.46 4.77 -0.90 -1.64 117.00 119.17 1tru n LEU 45 Ca -0.11 0.64 0.10 0.00 -0.03 0.00 0.00 56.01 56.61 1tru n LEU 45 Cb 0.89 -0.68 0.59 0.00 -2.33 0.00 0.00 43.42 41.90 1tru n LEU 45 CO 0.43 -0.74 1.13 0.28 -1.33 0.00 0.00 177.39 177.17 1tru h SER 46 N 0.00 0.14 0.72 -1.43 0.02 -1.75 0.37 113.55 111.62 1tru h SER 46 Ca 0.00 -0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.75 1tru h SER 46 Cb 0.01 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 62.49 1tru h SER 46 CO 0.00 0.09 -1.41 -0.33 -1.14 0.00 0.00 176.83 174.05 1tru h GLU 47 N 0.16 0.00 0.00 3.45 4.39 -1.60 -3.37 114.58 117.61 1tru h GLU 47 Ca 0.12 0.00 -0.10 0.00 0.34 0.00 0.00 59.36 59.72 1tru h GLU 47 Cb 0.28 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.91 1tru h GLU 47 CO -0.02 0.39 -0.56 -0.22 -1.16 0.00 0.00 179.01 177.43 1tru h LYS 48 N 0.00 0.00 -3.69 2.33 3.64 -1.40 -3.42 116.57 114.04 1tru h LYS 48 Ca -0.18 0.00 -0.72 0.00 -1.27 0.00 0.00 60.65 58.48 1tru h LYS 48 Cb 1.69 0.00 -0.33 0.00 -0.41 0.00 0.00 32.23 33.18 1tru h LYS 48 CO 0.06 0.93 -0.25 0.71 -2.27 0.00 0.00 179.45 178.63 1tru s TYR 49 N -2.26 3.50 -1.30 1.91 1.51 0.12 -4.90 117.35 115.94 1tru s TYR 49 Ca -0.22 -2.50 0.18 0.00 -1.01 0.00 0.00 57.07 53.51 1tru s TYR 49 Cb 0.01 -3.37 0.86 0.00 -0.11 0.00 0.00 41.96 39.35 1tru s TYR 49 CO 0.61 -0.89 1.55 -1.13 -1.11 0.00 0.00 175.55 174.58 1tru n SER 50 N 3.67 0.00 -2.18 2.29 3.41 -1.26 -2.82 113.62 116.73 1tru n SER 50 Ca 0.09 0.17 -0.22 0.00 -0.26 0.00 0.00 58.87 58.65 1tru n SER 50 Cb 0.40 -0.35 0.19 0.00 -0.26 0.00 0.00 64.21 64.20 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 -1.35 3.84 -4.03 4.04 5.15 -1.26 -4.35 115.26 117.30 1tru n ASN 51 Ca 0.07 -3.57 -0.21 0.00 -0.60 0.00 0.00 54.58 50.27 1tru n ASN 51 Cb 0.16 -0.82 -0.15 0.00 -0.53 0.00 0.00 39.78 38.43 1tru n ASN 51 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1tru s VAL 52 N -3.27 0.90 -0.35 3.44 1.01 -1.13 -4.69 120.40 116.31 1tru s VAL 52 Ca 0.57 -0.44 -0.13 0.00 0.00 0.00 0.00 61.98 61.98 1tru s VAL 52 Cb 0.47 -0.78 -0.01 0.00 0.00 0.00 0.00 36.38 36.06 1tru s VAL 52 CO 0.11 0.27 0.26 -0.63 0.00 0.00 0.00 175.10 175.11 1tru s ILE 53 N 0.08 5.28 -0.21 2.22 -1.09 -1.21 -2.82 121.20 123.45 1tru s ILE 53 Ca -0.02 -0.26 -0.07 0.00 -2.23 0.00 0.00 60.65 58.07 1tru s ILE 53 Cb -0.08 -3.75 -0.03 0.00 -1.58 0.00 0.00 42.46 37.01 1tru s ILE 53 CO 0.00 -0.06 0.05 -0.36 -1.23 0.00 0.00 174.94 173.34 1tru s PHE 54 N 1.73 3.13 -0.14 3.97 0.08 -1.12 -2.56 117.98 123.08 1tru s PHE 54 Ca 0.06 -0.21 -0.05 0.00 0.12 0.00 0.00 56.93 56.85 1tru s PHE 54 Cb -0.18 -2.12 -0.04 0.00 -0.57 0.00 0.00 43.02 40.11 1tru s PHE 54 CO 0.11 -0.10 0.04 -0.51 -0.10 0.00 0.00 175.22 174.65 1tru s LEU 55 N 0.91 3.76 -0.36 -0.37 1.02 -1.00 -3.09 118.68 119.54 1tru s LEU 55 Ca 0.03 0.14 -0.03 0.00 0.02 0.00 0.00 54.13 54.28 1tru s LEU 55 Cb -0.14 -1.91 0.07 0.00 0.02 0.00 0.00 46.19 44.23 1tru s LEU 55 CO 0.02 0.28 0.11 -0.70 0.02 0.00 0.00 176.35 176.08 1tru s GLU 56 N -0.26 2.28 -0.16 1.70 2.12 -1.16 -1.97 118.70 121.24 1tru s GLU 56 Ca 0.07 -1.49 -0.06 0.00 0.36 0.00 0.00 54.97 53.86 1tru s GLU 56 Cb -0.12 -3.41 -0.04 0.00 0.26 0.00 0.00 34.13 30.82 1tru s GLU 56 CO 0.02 -0.83 0.02 0.08 -0.54 0.00 0.00 175.26 174.01 1tru s VAL 57 N 1.23 4.42 -0.35 3.70 1.01 -1.16 -3.15 120.40 126.10 1tru s VAL 57 Ca 0.01 -0.17 -0.17 0.00 0.00 0.00 0.00 61.98 61.65 1tru s VAL 57 Cb -0.21 -2.96 -0.01 0.00 0.00 0.00 0.00 36.38 33.20 1tru s VAL 57 CO -0.02 0.48 0.45 -0.62 0.00 0.00 0.00 175.10 175.39 1tru s ASP 58 N 0.27 6.25 0.00 3.32 2.15 -1.26 -3.56 116.67 123.84 1tru s ASP 58 Ca 0.01 -0.14 0.02 0.00 0.43 0.00 0.00 52.55 52.86 1tru s ASP 58 Cb -0.13 -2.24 0.10 0.00 -0.30 0.00 0.00 42.92 40.36 1tru s ASP 58 CO 0.01 -0.42 0.36 1.33 -0.17 0.00 0.00 175.17 176.28 1tru n VAL 59 N 5.35 0.00 -0.04 1.11 0.24 -1.18 -1.03 118.33 122.77 1tru n VAL 59 Ca -0.07 0.00 -0.06 0.00 -2.04 0.00 0.00 64.34 62.18 1tru n VAL 59 Cb 0.49 -0.58 -0.04 0.00 -1.47 0.00 0.00 33.84 32.24 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 -0.66 3.32 0.02 -1.34 9.92 -1.26 -4.40 116.55 122.14 1tru n ASP 60 Ca 0.01 -0.04 -0.22 0.00 -0.53 0.00 0.00 54.79 54.01 1tru n ASP 60 Cb 0.01 -0.02 -0.14 0.00 -0.64 0.00 0.00 41.12 40.32 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 0.43 -2.02 -2.24 3.58 -1.81 -3.37 116.42 110.98 1tru h ASP 61 Ca -0.19 -0.89 -0.74 0.00 0.42 0.00 0.00 57.03 55.63 1tru h ASP 61 Cb 1.32 -0.14 -0.30 0.00 1.72 0.00 0.00 39.33 41.93 1tru h ASP 61 CO -0.02 1.75 0.67 0.00 -2.88 0.00 0.00 179.24 178.75 1tru n ALA 62 N -2.99 6.06 0.11 -0.78 0.00 -0.20 -4.74 120.51 117.97 1tru n ALA 62 Ca -0.28 -4.32 0.07 0.00 0.00 0.00 0.00 53.44 48.90 1tru n ALA 62 Cb 0.98 -1.74 0.36 0.00 0.00 0.00 0.00 19.45 19.06 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 -0.38 0.09 -0.04 0.00 3.00 -1.26 -1.17 117.38 117.61 1tru n GLN 63 Ca 0.48 0.57 -0.16 0.00 -0.01 0.00 0.00 57.00 57.88 1tru n GLN 63 Cb 0.31 -1.84 -0.07 0.00 0.00 0.00 0.00 30.24 28.64 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 0.71 0.31 1.08 2.03 -1.94 -1.00 116.42 117.61 1tru h ASP 64 Ca 0.00 -0.60 -0.19 0.00 -0.73 0.00 0.00 57.03 55.51 1tru h ASP 64 Cb 0.12 -0.21 -0.00 0.00 -0.83 0.00 0.00 39.33 38.41 1tru h ASP 64 CO 0.00 1.19 -0.78 0.58 -1.03 0.00 0.00 179.24 179.19 1tru h VAL 65 N 0.27 1.39 -0.36 4.15 2.07 -1.52 -2.29 116.25 119.96 1tru h VAL 65 Ca -0.02 -2.24 -0.11 0.00 0.82 0.00 0.00 66.70 65.15 1tru h VAL 65 Cb 1.13 2.20 -0.01 0.00 -1.52 0.00 0.00 31.29 33.09 1tru h VAL 65 CO 0.11 0.67 -0.21 0.00 0.02 0.00 0.00 177.57 178.16 1tru h ALA 66 N 0.90 0.96 0.22 1.67 0.00 -1.45 0.15 119.26 121.72 1tru h ALA 66 Ca -0.04 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.51 1tru h ALA 66 Cb 1.37 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1tru h ALA 66 CO 0.13 0.61 -0.10 0.77 0.00 0.00 0.00 179.25 180.65 1tru h SER 67 N 0.62 -0.25 -0.28 0.00 0.02 -1.11 -1.82 113.55 110.73 1tru h SER 67 Ca 0.09 -0.28 -0.03 0.00 -0.84 0.00 0.00 61.79 60.74 1tru h SER 67 Cb 0.68 0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.27 1tru h SER 67 CO 0.05 0.22 0.10 -0.08 -1.14 0.00 0.00 176.83 175.98 1tru h GLU 68 N -0.80 0.50 0.00 3.45 4.22 -1.41 -0.10 114.58 120.44 1tru h GLU 68 Ca -0.03 -0.07 0.00 0.00 0.08 0.00 0.00 59.36 59.34 1tru h GLU 68 Cb 0.51 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1tru h GLU 68 CO 0.05 0.45 0.00 0.00 -2.18 0.00 0.00 179.01 177.33 1tru n ALA 69 N -2.48 1.95 -3.26 2.92 0.00 0.53 -4.88 120.51 115.29 1tru n ALA 69 Ca 0.02 -0.03 -0.23 0.00 0.00 0.00 0.00 53.44 53.19 1tru n ALA 69 Cb 0.17 -1.37 0.04 0.00 0.00 0.00 0.00 19.45 18.29 1tru n ALA 69 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1tru n GLU 70 N -1.76 -5.71 -2.78 0.00 2.13 -0.05 -4.90 120.64 107.57 1tru n GLU 70 Ca 0.05 0.84 -0.43 0.00 0.66 0.00 0.00 57.16 58.28 1tru n GLU 70 Cb 0.27 -5.75 -0.04 0.00 0.27 0.00 0.00 31.44 26.19 1tru n GLU 70 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1tru s VAL 71 N -3.21 4.21 -0.17 6.31 1.01 -0.91 -4.81 120.40 122.82 1tru s VAL 71 Ca 0.41 -0.01 0.17 0.00 0.00 0.00 0.00 61.98 62.55 1tru s VAL 71 Cb -0.19 -4.70 0.43 0.00 0.00 0.00 0.00 36.38 31.92 1tru s VAL 71 CO 0.51 -1.45 1.31 0.29 0.00 0.00 0.00 175.10 175.76 1tru n LYS 72 N 8.01 2.11 -3.31 2.72 4.76 -1.26 -4.85 118.16 126.35 1tru n LYS 72 Ca -0.01 -2.80 -0.11 0.00 -2.87 0.00 0.00 58.31 52.52 1tru n LYS 72 Cb 0.47 -1.70 -0.05 0.00 -1.84 0.00 0.00 35.03 31.90 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 -2.91 -1.04 0.23 7.82 0.00 -1.26 -5.15 121.76 119.44 1tru s ALA 73 Ca 0.38 -0.62 -0.02 0.00 0.00 0.00 0.00 51.96 51.70 1tru s ALA 73 Cb 0.33 -2.28 -0.05 0.00 0.00 0.00 0.00 23.12 21.12 1tru s ALA 73 CO 0.05 -2.17 0.45 0.95 0.00 0.00 0.00 175.76 175.03 1tru s THR 74 N 1.54 5.14 0.52 0.00 -4.23 -1.26 -4.08 115.64 113.27 1tru s THR 74 Ca 0.17 -0.20 -0.18 0.00 -1.18 0.00 0.00 61.69 60.30 1tru s THR 74 Cb -0.12 -3.73 -0.07 0.00 1.34 0.00 0.00 72.50 69.93 1tru s THR 74 CO -0.04 -0.21 1.02 -2.16 -0.54 0.00 0.00 174.62 172.69 1tru s PRO 75 N -3.36 3.75 -0.02 3.99 0.04 -1.26 -5.00 135.00 133.15 1tru s PRO 75 Ca 0.40 1.16 0.01 0.00 0.04 0.00 0.00 61.00 62.61 1tru s PRO 75 Cb -0.11 -2.10 0.01 0.00 0.04 0.00 0.00 34.50 32.35 1tru s PRO 75 CO 0.29 -0.45 -0.01 0.99 0.04 0.00 0.00 177.00 177.86 1tru s THR 76 N -2.34 0.19 -0.23 1.26 2.01 -0.64 -3.32 115.64 112.57 1tru s THR 76 Ca 0.63 -0.01 -0.01 0.00 0.31 0.00 0.00 61.69 62.61 1tru s THR 76 Cb -0.13 -0.23 0.02 0.00 0.01 0.00 0.00 72.50 72.17 1tru s THR 76 CO 0.27 0.10 -0.08 -0.36 -0.69 0.00 0.00 174.62 173.86 1tru s PHE 77 N 0.52 3.01 0.06 4.92 0.08 -1.10 -0.48 117.98 125.00 1tru s PHE 77 Ca -0.05 -1.50 0.04 0.00 0.12 0.00 0.00 56.93 55.54 1tru s PHE 77 Cb -0.08 -2.04 -0.04 0.00 -0.57 0.00 0.00 43.02 40.30 1tru s PHE 77 CO -0.01 -0.72 -0.01 -0.65 -0.10 0.00 0.00 175.22 173.73 1tru s GLN 78 N 1.33 2.59 -0.29 0.44 -0.21 -0.29 -2.08 119.66 121.16 1tru s GLN 78 Ca 0.02 -0.78 -0.04 0.00 0.02 0.00 0.00 55.36 54.58 1tru s GLN 78 Cb -0.16 -2.56 0.03 0.00 1.00 0.00 0.00 33.01 31.33 1tru s GLN 78 CO -0.06 0.56 0.02 -0.06 -2.12 0.00 0.00 175.29 173.63 1tru s PHE 79 N -1.23 3.18 0.19 0.91 0.40 0.11 -0.37 117.98 121.17 1tru s PHE 79 Ca 0.23 -1.51 0.07 0.00 -0.60 0.00 0.00 56.93 55.13 1tru s PHE 79 Cb -0.12 -2.15 -0.04 0.00 0.51 0.00 0.00 43.02 41.22 1tru s PHE 79 CO 0.15 -0.72 0.04 -0.06 0.70 0.00 0.00 175.22 175.34 1tru s PHE 80 N 1.35 2.91 -0.20 0.36 0.40 0.80 -1.07 117.98 122.54 1tru s PHE 80 Ca -0.01 -0.12 -0.14 0.00 -0.60 0.00 0.00 56.93 56.06 1tru s PHE 80 Cb -0.18 -1.39 0.06 0.00 0.51 0.00 0.00 43.02 42.02 1tru s PHE 80 CO -0.01 0.53 0.50 0.21 0.70 0.00 0.00 175.22 177.15 1tru s LYS 81 N -3.14 0.53 0.00 0.44 2.20 -0.54 -2.41 119.74 116.81 1tru s LYS 81 Ca 0.29 0.83 0.00 0.00 -0.36 0.00 0.00 55.97 56.73 1tru s LYS 81 Cb -0.09 0.13 0.00 0.00 -1.51 0.00 0.00 37.83 36.36 1tru s LYS 81 CO 0.20 -0.12 0.00 1.63 -0.36 0.00 0.00 175.35 176.70 1tru n LYS 82 N 3.69 -1.82 -0.46 4.03 5.02 -1.25 0.64 118.16 128.01 1tru n LYS 82 Ca -0.19 0.29 0.00 0.00 -2.02 0.00 0.00 58.31 56.39 1tru n LYS 82 Cb 0.56 -4.00 0.00 0.00 -0.02 0.00 0.00 35.03 31.57 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 1.37 2.90 0.72 0.00 -1.26 -4.93 105.19 104.49 1tru n GLY 83 Ca 0.00 -0.25 -0.22 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.47 1.05 -0.45 1.61 -0.21 0.21 -5.08 119.66 115.32 1tru s GLN 84 Ca 0.00 -0.15 -0.27 0.00 0.02 0.00 0.00 55.36 54.95 1tru s GLN 84 Cb 0.00 -1.06 -0.03 0.00 1.00 0.00 0.00 33.01 32.92 1tru s GLN 84 CO 0.00 -0.12 1.91 0.21 -2.12 0.00 0.00 175.29 175.17 1tru s LYS 85 N 1.12 2.91 -0.41 2.91 2.20 -1.26 -1.47 119.74 125.74 1tru s LYS 85 Ca -0.07 1.13 0.04 0.00 -0.36 0.00 0.00 55.97 56.71 1tru s LYS 85 Cb -0.14 -4.32 0.46 0.00 -1.51 0.00 0.00 37.83 32.31 1tru s LYS 85 CO -0.01 -2.37 1.46 1.33 -0.36 0.00 0.00 175.35 175.40 1tru n VAL 86 N 7.41 2.88 0.00 4.02 0.24 -0.23 -4.99 118.33 127.67 1tru n VAL 86 Ca 0.24 -3.79 0.00 0.00 -2.04 0.00 0.00 64.34 58.75 1tru n VAL 86 Cb 0.50 -1.13 0.00 0.00 -1.47 0.00 0.00 33.84 31.73 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 -0.78 4.26 3.56 7.63 0.00 -1.22 -4.93 105.19 113.71 1tru n GLY 87 Ca 0.50 -0.74 -0.07 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.93 0.56 -0.29 1.61 4.04 -1.26 0.06 118.70 120.50 1tru s GLU 88 Ca 0.00 -0.11 -0.19 0.00 0.04 0.00 0.00 54.97 54.71 1tru s GLU 88 Cb 0.00 0.26 0.13 0.00 0.02 0.00 0.00 34.13 34.54 1tru s GLU 88 CO 0.00 -0.23 0.97 -0.59 -1.84 0.00 0.00 175.26 173.57 1tru s PHE 89 N -2.26 -0.58 -0.13 4.83 -0.12 -0.88 -5.00 117.98 113.83 1tru s PHE 89 Ca 0.05 1.23 -0.05 0.00 -0.05 0.00 0.00 56.93 58.11 1tru s PHE 89 Cb -0.01 0.38 -0.04 0.00 -0.63 0.00 0.00 43.02 42.72 1tru s PHE 89 CO -0.05 -0.29 0.04 -1.54 -0.05 0.00 0.00 175.22 173.34 1tru s SER 90 N 0.99 5.52 0.00 1.98 1.04 -1.26 -2.70 113.70 119.27 1tru s SER 90 Ca -0.05 0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.53 1tru s SER 90 Cb -0.04 -1.78 0.00 0.00 0.10 0.00 0.00 66.02 64.30 1tru s SER 90 CO -0.12 0.29 0.00 0.61 0.98 0.00 0.00 173.24 175.00 1tru n GLY 91 N 2.74 4.05 2.03 7.32 0.00 -1.21 -4.96 105.19 115.17 1tru n GLY 91 Ca -0.18 -0.80 -0.14 0.00 0.00 0.00 0.00 46.02 44.90 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 -1.40 6.46 -3.19 4.61 0.00 -1.26 -4.68 120.51 121.05 1tru n ALA 92 Ca 0.00 -1.97 -0.41 0.00 0.00 0.00 0.00 53.44 51.06 1tru n ALA 92 Cb 0.00 -2.39 -0.01 0.00 0.00 0.00 0.00 19.45 17.05 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 2.55 5.72 0.11 0.00 4.05 -1.26 -4.84 115.26 121.59 1tru n ASN 93 Ca 0.46 -3.30 0.17 0.00 0.45 0.00 0.00 54.58 52.35 1tru n ASN 93 Cb 0.87 -1.21 0.71 0.00 1.23 0.00 0.00 39.78 41.38 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 5.63 0.00 0.00 1.20 -0.00 -1.98 0.30 116.57 121.71 1tru h LYS 94 Ca 0.19 0.00 -0.05 0.00 -0.00 0.00 0.00 60.65 60.79 1tru h LYS 94 Cb 0.70 0.00 -0.01 0.00 -0.00 0.00 0.00 32.23 32.92 1tru h LYS 94 CO 1.16 0.00 -0.24 0.93 -0.00 0.00 0.00 179.45 181.30 1tru h GLU 95 N 0.00 0.00 -0.12 0.07 5.08 -1.99 -2.33 114.58 115.30 1tru h GLU 95 Ca 0.15 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.41 1tru h GLU 95 Cb 0.65 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1tru h GLU 95 CO -0.00 0.24 -0.37 -0.22 -1.00 0.00 0.00 179.01 177.66 1tru h LYS 96 N 0.00 0.25 -1.00 2.33 3.64 -0.80 -2.91 116.57 118.07 1tru h LYS 96 Ca -0.00 -0.11 0.19 0.00 -1.27 0.00 0.00 60.65 59.46 1tru h LYS 96 Cb 0.55 -0.01 -0.10 0.00 -0.41 0.00 0.00 32.23 32.26 1tru h LYS 96 CO 0.03 0.59 0.61 -0.07 -2.27 0.00 0.00 179.45 178.35 1tru h LEU 97 N 0.21 0.77 0.43 5.20 3.38 -1.40 0.45 115.31 124.35 1tru h LEU 97 Ca 0.02 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 1tru h LEU 97 Cb 0.76 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1tru h LEU 97 CO 0.06 0.27 -0.20 -0.08 0.09 0.00 0.00 178.44 178.58 1tru h GLU 98 N 0.75 -0.55 -0.83 1.13 4.57 -1.65 0.30 114.58 118.30 1tru h GLU 98 Ca 0.57 0.04 0.10 0.00 -1.18 0.00 0.00 59.36 58.89 1tru h GLU 98 Cb 0.92 0.13 -0.07 0.00 -0.16 0.00 0.00 28.75 29.56 1tru h GLU 98 CO -0.37 -0.25 0.47 0.00 -1.18 0.00 0.00 179.01 177.69 1tru h ALA 99 N -0.49 1.19 -0.11 2.92 0.00 -1.45 -0.04 119.26 121.27 1tru h ALA 99 Ca -0.06 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1tru h ALA 99 Cb 0.56 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1tru h ALA 99 CO 0.10 0.09 -0.22 1.15 0.00 0.00 0.00 179.25 180.36 1tru h THR 100 N 0.79 1.38 -0.86 0.00 2.02 -0.88 -3.04 112.91 112.32 1tru h THR 100 Ca 0.40 -1.50 0.06 0.00 0.77 0.00 0.00 66.41 66.14 1tru h THR 100 Cb 0.38 2.08 -0.05 0.00 -1.74 0.00 0.00 68.15 68.81 1tru h THR 100 CO -0.25 0.44 0.56 0.40 0.37 0.00 0.00 175.52 177.04 1tru h ILE 101 N -0.07 1.08 0.00 3.11 2.04 0.10 0.48 117.51 124.25 1tru h ILE 101 Ca 0.00 -0.34 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1tru h ILE 101 Cb 0.81 -0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1tru h ILE 101 CO 0.05 0.18 0.00 -3.20 0.00 0.00 0.00 178.15 175.18 1tru n ASN 102 N -4.48 0.00 -0.05 1.72 5.15 -0.07 -2.32 115.26 115.21 1tru n ASN 102 Ca 0.13 -0.62 -0.00 0.00 -0.60 0.00 0.00 54.58 53.49 1tru n ASN 102 Cb 0.18 -0.02 -0.00 0.00 -0.53 0.00 0.00 39.78 39.40 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 -0.74 1.20 4.81 0.08 -3.35 114.58 116.57 1tru h GLU 103 Ca 0.00 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.10 1tru h GLU 103 Cb 0.02 0.00 -0.08 0.00 0.63 0.00 0.00 28.75 29.32 1tru h GLU 103 CO 0.00 0.00 0.17 1.28 -0.73 0.00 0.00 179.01 179.73 1tru n LEU 104 N -4.67 5.51 0.00 1.64 4.77 -1.22 -5.13 117.00 117.89 1tru n LEU 104 Ca -0.00 -2.84 0.06 0.00 -0.03 0.00 0.00 56.01 53.19 1tru n LEU 104 Cb 0.01 -0.70 0.35 0.00 -2.33 0.00 0.00 43.42 40.75 1tru n LEU 104 CO 0.01 0.70 0.56 0.55 -1.33 0.00 0.00 177.39 177.88