#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1blq n SER 2 N 0.00 0.46 -2.04 0.00 7.64 -1.26 -4.94 113.62 113.49 1blq n SER 2 Ca 0.00 0.06 0.02 0.00 1.01 0.00 0.00 58.87 59.96 1blq n SER 2 Cb 0.00 -0.15 0.03 0.00 -1.01 0.00 0.00 64.21 63.09 1blq n SER 2 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1blq n MET 3 N -2.92 0.71 0.00 1.43 1.56 -1.26 -4.52 117.12 112.13 1blq n MET 3 Ca -0.00 -2.54 0.00 0.00 -0.27 0.00 0.00 57.70 54.89 1blq n MET 3 Cb 0.00 -0.61 0.00 0.00 2.15 0.00 0.00 33.22 34.77 1blq n MET 3 CO 0.00 0.00 0.00 -2.37 -0.73 0.00 0.00 175.97 172.87 1blq n THR 4 N 0.00 0.00 0.08 1.12 5.66 -1.26 -4.66 114.28 115.22 1blq n THR 4 Ca 0.05 0.00 0.08 0.00 -3.05 0.00 0.00 64.05 61.12 1blq n THR 4 Cb 0.99 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.74 1blq n THR 4 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1blq n ASP 5 N 0.00 0.84 0.51 1.09 -0.08 -1.26 -3.19 116.55 114.45 1blq n ASP 5 Ca 0.00 0.34 -0.20 0.00 -1.51 0.00 0.00 54.79 53.42 1blq n ASP 5 Cb 0.00 0.38 -0.09 0.00 2.34 0.00 0.00 41.12 43.74 1blq n ASP 5 CO 0.00 0.00 0.00 -0.61 0.12 0.00 0.00 177.20 176.71 1blq h GLN 6 N 0.00 -1.25 -0.09 -0.67 4.15 -1.91 0.37 115.11 115.71 1blq h GLN 6 Ca -0.06 0.08 -0.07 0.00 0.77 0.00 0.00 58.65 59.37 1blq h GLN 6 Cb 1.20 0.28 -0.01 0.00 0.21 0.00 0.00 27.48 29.16 1blq h GLN 6 CO 0.02 -0.83 -0.29 1.96 -1.93 0.00 0.00 178.83 177.76 1blq h GLN 7 N -1.32 0.16 0.00 1.69 7.50 -1.79 -2.05 115.11 119.29 1blq h GLN 7 Ca -0.13 -0.05 -0.04 0.00 0.50 0.00 0.00 58.65 58.92 1blq h GLN 7 Cb 0.99 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 28.50 1blq h GLN 7 CO 0.22 0.44 -0.19 0.00 -1.50 0.00 0.00 178.83 177.80 1blq h ALA 8 N 1.57 1.50 -0.15 3.87 0.00 -1.46 -0.62 119.26 123.96 1blq h ALA 8 Ca 0.02 -0.17 -0.22 0.00 0.00 0.00 0.00 54.91 54.54 1blq h ALA 8 Cb 0.58 -0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.35 1blq h ALA 8 CO 0.04 0.24 -0.77 1.49 0.00 0.00 0.00 179.25 180.24 1blq h GLU 9 N 0.00 0.76 0.00 0.00 4.81 -0.18 -2.08 114.58 117.89 1blq h GLU 9 Ca -0.00 -0.62 0.00 0.00 -0.13 0.00 0.00 59.36 58.61 1blq h GLU 9 Cb 0.38 0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1blq h GLU 9 CO 0.02 1.23 0.00 0.00 -0.73 0.00 0.00 179.01 179.53 1blq h ALA 10 N 0.60 1.00 0.00 2.92 0.00 -1.33 -3.06 119.26 119.39 1blq h ALA 10 Ca -0.05 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1blq h ALA 10 Cb 1.40 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.18 1blq h ALA 10 CO 0.16 0.00 -0.81 0.00 0.00 0.00 0.00 179.25 178.59 1blq h ARG 11 N 0.00 0.00 0.15 0.00 2.47 -1.03 -3.03 114.38 112.95 1blq h ARG 11 Ca 0.00 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 1blq h ARG 11 Cb 0.86 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.18 1blq h ARG 11 CO 0.00 0.18 -0.07 0.00 0.56 0.00 0.00 179.97 180.64 1blq h ALA 12 N 1.74 -0.20 -0.39 0.04 0.00 -1.28 -3.30 119.26 115.88 1blq h ALA 12 Ca -0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1blq h ALA 12 Cb 1.24 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1blq h ALA 12 CO 0.03 -0.22 0.21 0.35 0.00 0.00 0.00 179.25 179.62 1blq h PHE 13 N -0.99 0.51 -2.14 0.00 3.57 -1.71 -3.28 116.94 112.91 1blq h PHE 13 Ca -0.02 -0.00 -0.73 0.00 3.53 0.00 0.00 57.97 60.74 1blq h PHE 13 Cb 0.39 -0.17 -0.17 0.00 2.79 0.00 0.00 35.95 38.79 1blq h PHE 13 CO 0.06 0.36 1.36 -0.51 -2.23 0.00 0.00 178.31 177.36 1blq s LEU 14 N -9.39 5.01 1.01 0.59 1.43 -1.14 -5.01 118.68 111.18 1blq s LEU 14 Ca -0.08 -2.95 -0.20 0.00 -1.03 0.00 0.00 54.13 49.87 1blq s LEU 14 Cb 0.17 -2.41 -0.07 0.00 0.03 0.00 0.00 46.19 43.91 1blq s LEU 14 CO 0.74 -0.77 -0.61 -0.24 0.23 0.00 0.00 176.35 175.70 1blq n SER 15 N 5.76 -3.65 0.29 2.29 2.88 -1.24 -4.63 113.62 115.32 1blq n SER 15 Ca 0.37 0.10 0.15 0.00 -1.33 0.00 0.00 58.87 58.16 1blq n SER 15 Cb 0.43 -0.82 0.88 0.00 -0.75 0.00 0.00 64.21 63.95 1blq n SER 15 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1blq h GLU 16 N -1.33 0.00 -0.58 -1.46 4.22 -1.92 -2.01 114.58 111.50 1blq h GLU 16 Ca -0.44 0.00 -0.10 0.00 0.08 0.00 0.00 59.36 58.89 1blq h GLU 16 Cb 1.34 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.57 1blq h GLU 16 CO 0.28 0.05 -0.03 0.93 -2.18 0.00 0.00 179.01 178.06 1blq h GLU 17 N 0.00 1.04 0.83 1.92 4.39 -1.99 -1.79 114.58 118.98 1blq h GLU 17 Ca -0.00 -0.35 -0.04 0.00 0.34 0.00 0.00 59.36 59.31 1blq h GLU 17 Cb 0.16 -0.09 0.01 0.00 -0.10 0.00 0.00 28.75 28.74 1blq h GLU 17 CO 0.01 1.04 -0.40 1.98 -1.16 0.00 0.00 179.01 180.48 1blq h MET 18 N 0.93 -1.08 0.00 2.33 4.05 -1.64 -1.90 114.93 117.63 1blq h MET 18 Ca 0.16 0.07 0.00 0.00 -0.28 0.00 0.00 59.70 59.65 1blq h MET 18 Cb 0.59 0.24 0.00 0.00 -0.80 0.00 0.00 31.60 31.64 1blq h MET 18 CO 0.04 -0.72 0.16 0.82 0.23 0.00 0.00 176.91 177.44 1blq h ILE 19 N -1.14 0.00 -0.27 1.77 2.04 -1.58 -0.26 117.51 118.07 1blq h ILE 19 Ca -0.11 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.60 1blq h ILE 19 Cb 0.86 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 37.75 1blq h ILE 19 CO 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 178.15 177.93 1blq h ALA 20 N 1.67 0.41 0.00 1.87 0.00 -0.52 -1.91 119.26 120.78 1blq h ALA 20 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1blq h ALA 20 Cb 0.33 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1blq h ALA 20 CO 0.00 0.52 -0.69 -0.85 0.00 0.00 0.00 179.25 178.23 1blq n GLU 21 N -4.17 0.23 0.12 0.00 -0.00 -0.34 -3.79 120.64 112.69 1blq n GLU 21 Ca -0.04 0.05 0.08 0.00 -0.00 0.00 0.00 57.16 57.24 1blq n GLU 21 Cb 0.54 -1.63 0.02 0.00 -0.00 0.00 0.00 31.44 30.37 1blq n GLU 21 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.13 177.48 1blq h PHE 22 N 0.00 0.00 -0.90 -1.84 3.57 -1.06 -3.32 116.94 113.38 1blq h PHE 22 Ca 0.00 0.00 0.25 0.00 3.53 0.00 0.00 57.97 61.75 1blq h PHE 22 Cb 0.69 0.00 -0.15 0.00 2.79 0.00 0.00 35.95 39.28 1blq h PHE 22 CO 0.00 0.21 0.19 0.87 -2.23 0.00 0.00 178.31 177.35 1blq h LYS 23 N 0.00 0.14 0.05 1.11 1.57 -1.44 0.28 116.57 118.28 1blq h LYS 23 Ca -0.04 -0.01 -0.27 0.00 -1.87 0.00 0.00 60.65 58.46 1blq h LYS 23 Cb 1.20 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.45 1blq h LYS 23 CO 0.02 0.09 -1.36 0.00 -0.57 0.00 0.00 179.45 177.63 1blq h ALA 24 N 1.84 0.39 0.16 3.86 0.00 -1.83 -2.67 119.26 121.01 1blq h ALA 24 Ca 0.57 -1.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.38 1blq h ALA 24 Cb 1.19 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 1blq h ALA 24 CO -0.72 1.26 -0.19 0.00 0.00 0.00 0.00 179.25 179.60 1blq h ALA 25 N 0.78 -0.87 -0.65 0.00 0.00 -0.59 1.89 119.26 119.81 1blq h ALA 25 Ca -0.16 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 1blq h ALA 25 Cb 1.93 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 20.15 1blq h ALA 25 CO 0.14 -0.89 0.12 0.35 0.00 0.00 0.00 179.25 178.98 1blq h PHE 26 N -0.35 1.12 0.00 0.00 3.04 -1.43 -1.43 116.94 117.89 1blq h PHE 26 Ca -0.02 -0.15 0.00 0.00 3.98 0.00 0.00 57.97 61.78 1blq h PHE 26 Cb 0.31 -0.31 0.00 0.00 2.56 0.00 0.00 35.95 38.51 1blq h PHE 26 CO -0.17 0.94 0.00 -3.47 -2.02 0.00 0.00 178.31 173.59 1blq n ASP 27 N -4.27 0.00 0.02 0.41 -0.08 -1.00 -3.96 116.55 107.67 1blq n ASP 27 Ca 0.04 -0.89 -0.01 0.00 -1.51 0.00 0.00 54.79 52.43 1blq n ASP 27 Cb 0.27 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.73 1blq n ASP 27 CO 0.00 0.00 0.00 -0.03 0.12 0.00 0.00 177.20 177.29 1blq h MET 28 N 0.00 -0.04 -0.82 -0.67 4.05 0.41 -3.05 114.93 114.81 1blq h MET 28 Ca 0.00 0.00 0.19 0.00 -0.28 0.00 0.00 59.70 59.62 1blq h MET 28 Cb 0.00 0.01 -0.15 0.00 -0.80 0.00 0.00 31.60 30.66 1blq h MET 28 CO 0.00 -0.03 -0.02 0.74 0.23 0.00 0.00 176.91 177.83 1blq h PHE 29 N -0.05 -0.10 -3.42 1.39 -1.00 -1.73 -3.25 116.94 108.77 1blq h PHE 29 Ca -0.00 0.06 -0.71 0.00 2.81 0.00 0.00 57.97 60.13 1blq h PHE 29 Cb 0.04 0.17 -0.32 0.00 3.61 0.00 0.00 35.95 39.45 1blq h PHE 29 CO 0.19 -0.30 -0.48 0.16 -1.61 0.00 0.00 178.31 176.27 1blq s ASP 30 N -5.16 5.46 -0.11 2.17 -4.77 -1.19 -4.89 116.67 108.18 1blq s ASP 30 Ca -0.13 -1.87 0.14 0.00 -3.30 0.00 0.00 52.55 47.39 1blq s ASP 30 Cb 0.24 -1.92 0.44 0.00 -1.09 0.00 0.00 42.92 40.60 1blq s ASP 30 CO 0.76 -0.59 1.35 0.00 0.70 0.00 0.00 175.17 177.40 1blq n ALA 31 N 4.76 2.69 0.00 2.11 0.00 -1.16 -4.34 120.51 124.58 1blq n ALA 31 Ca -0.06 -1.89 0.00 0.00 0.00 0.00 0.00 53.44 51.49 1blq n ALA 31 Cb 0.41 -0.60 0.00 0.00 0.00 0.00 0.00 19.45 19.26 1blq n ALA 31 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1blq n ASP 32 N -0.17 0.00 -0.34 0.00 -0.08 -1.26 -4.95 116.55 109.75 1blq n ASP 32 Ca 0.18 0.00 0.28 0.00 -1.51 0.00 0.00 54.79 53.73 1blq n ASP 32 Cb 0.72 0.00 0.58 0.00 2.34 0.00 0.00 41.12 44.76 1blq n ASP 32 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1blq h GLY 33 N 0.00 0.97 0.00 0.27 0.00 -1.92 -3.42 103.07 98.96 1blq h GLY 33 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.18 1blq h GLY 33 CO 0.00 -0.15 0.00 0.61 0.00 0.00 0.00 176.54 177.00 1blq n GLY 34 N -1.54 0.72 0.18 4.60 0.00 -1.26 -5.02 105.19 102.87 1blq n GLY 34 Ca 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.25 1blq n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1blq n GLY 35 N 0.00 0.80 2.75 -0.02 0.00 -1.26 -5.06 105.19 102.39 1blq n GLY 35 Ca 0.00 -0.72 -0.03 0.00 0.00 0.00 0.00 46.02 45.27 1blq n GLY 35 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1blq n ASP 36 N -0.15 -1.32 -3.72 1.61 5.75 -1.26 -4.56 116.55 112.90 1blq n ASP 36 Ca 0.00 -1.75 -0.13 0.00 -0.01 0.00 0.00 54.79 52.90 1blq n ASP 36 Cb 0.06 2.17 -0.09 0.00 -1.03 0.00 0.00 41.12 42.22 1blq n ASP 36 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 1blq s ILE 37 N -2.23 0.01 0.00 2.12 -5.25 -0.61 -4.67 121.20 110.55 1blq s ILE 37 Ca 0.15 -0.04 0.00 0.00 -0.99 0.00 0.00 60.65 59.77 1blq s ILE 37 Cb -0.02 -0.64 0.00 0.00 2.95 0.00 0.00 42.46 44.74 1blq s ILE 37 CO 0.05 -0.02 0.00 -1.20 -1.79 0.00 0.00 174.94 171.97 1blq n SER 38 N 2.62 1.73 0.27 4.36 7.64 -1.26 -1.37 113.62 127.61 1blq n SER 38 Ca -0.14 -0.27 0.18 0.00 1.01 0.00 0.00 58.87 59.65 1blq n SER 38 Cb 0.57 0.00 0.83 0.00 -1.01 0.00 0.00 64.21 64.59 1blq n SER 38 CO 0.00 0.00 0.00 0.71 -3.01 0.00 0.00 175.04 172.74 1blq h THR 39 N 0.24 0.00 0.01 0.44 1.35 -1.88 -0.97 112.91 112.10 1blq h THR 39 Ca 0.00 -0.29 -0.27 0.00 -0.55 0.00 0.00 66.41 65.30 1blq h THR 39 Cb 0.00 1.24 -0.04 0.00 -1.73 0.00 0.00 68.15 67.61 1blq h THR 39 CO 0.00 0.00 -1.49 0.50 -0.25 0.00 0.00 175.52 174.28 1blq h LYS 40 N 0.00 0.02 0.00 4.72 3.64 -1.91 -2.48 116.57 120.57 1blq h LYS 40 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 1blq h LYS 40 Cb 0.31 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1blq h LYS 40 CO 0.00 0.70 -0.16 0.93 -2.27 0.00 0.00 179.45 178.65 1blq h GLU 41 N 0.01 0.00 0.00 1.90 4.39 -1.77 -2.59 114.58 116.52 1blq h GLU 41 Ca -0.20 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.50 1blq h GLU 41 Cb 1.94 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.59 1blq h GLU 41 CO 0.10 0.00 0.00 1.47 -1.16 0.00 0.00 179.01 179.42 1blq n LEU 42 N -4.07 0.00 -0.03 1.33 -0.00 -0.42 -1.86 117.00 111.95 1blq n LEU 42 Ca -0.02 0.43 -0.12 0.00 -0.00 0.00 0.00 56.01 56.29 1blq n LEU 42 Cb 0.08 -0.43 -0.14 0.00 -0.00 0.00 0.00 43.42 42.93 1blq n LEU 42 CO 0.03 -0.17 -0.73 0.61 -0.00 0.00 0.00 177.39 177.13 1blq n GLY 43 N 0.26 -0.85 0.08 1.47 0.00 -0.93 -3.67 105.19 101.54 1blq n GLY 43 Ca 0.06 -0.15 -0.16 0.00 0.00 0.00 0.00 46.02 45.77 1blq n GLY 43 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1blq h THR 44 N 0.02 1.62 -0.37 2.61 2.02 -1.18 -0.97 112.91 116.66 1blq h THR 44 Ca -0.37 -2.34 0.11 0.00 0.77 0.00 0.00 66.41 64.58 1blq h THR 44 Cb 2.05 3.18 -0.01 0.00 -1.74 0.00 0.00 68.15 71.62 1blq h THR 44 CO 0.07 0.57 0.34 1.62 0.37 0.00 0.00 175.52 178.49 1blq h VAL 45 N -0.94 0.52 0.08 3.16 3.04 -1.58 0.10 116.25 120.64 1blq h VAL 45 Ca -0.07 0.00 -0.34 0.00 -1.01 0.00 0.00 66.70 65.28 1blq h VAL 45 Cb 1.11 0.74 -0.03 0.00 -2.01 0.00 0.00 31.29 31.10 1blq h VAL 45 CO -0.02 0.00 -1.86 -0.03 -1.01 0.00 0.00 177.57 174.65 1blq h MET 46 N 0.00 0.18 0.00 4.17 -1.53 -1.63 -3.29 114.93 112.83 1blq h MET 46 Ca 0.18 -0.30 0.00 0.00 -3.44 0.00 0.00 59.70 56.13 1blq h MET 46 Cb 0.86 0.11 0.00 0.00 -0.55 0.00 0.00 31.60 32.03 1blq h MET 46 CO -0.00 0.96 0.00 -2.13 0.14 0.00 0.00 176.91 175.88 1blq n ARG 47 N -3.33 0.07 0.00 0.39 0.63 -0.13 -3.29 116.66 110.99 1blq n ARG 47 Ca -0.25 0.25 -0.00 0.00 -0.92 0.00 0.00 57.85 56.92 1blq n ARG 47 Cb 1.05 -1.50 -0.00 0.00 0.45 0.00 0.00 32.46 32.46 1blq n ARG 47 CO 0.00 0.00 0.00 1.98 -2.51 0.00 0.00 177.63 177.10 1blq h MET 48 N 0.00 -0.02 -1.25 -0.14 4.05 -1.21 -3.02 114.93 113.33 1blq h MET 48 Ca 0.00 0.00 0.36 0.00 -0.28 0.00 0.00 59.70 59.78 1blq h MET 48 Cb 0.17 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 30.92 1blq h MET 48 CO 0.00 -0.01 1.11 -0.07 0.23 0.00 0.00 176.91 178.17 1blq h LEU 49 N -0.17 0.00 0.00 3.39 -0.00 -1.70 -3.41 115.31 113.42 1blq h LEU 49 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 1blq h LEU 49 Cb 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.68 1blq h LEU 49 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.05 1blq n GLY 50 N -1.76 2.09 0.00 0.83 0.00 -1.21 -5.10 105.19 100.05 1blq n GLY 50 Ca 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1blq n GLY 50 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1blq n GLN 51 N 0.00 0.00 -0.33 1.61 7.27 -1.14 -4.74 117.38 120.04 1blq n GLN 51 Ca 0.00 0.00 0.17 0.00 0.07 0.00 0.00 57.00 57.24 1blq n GLN 51 Cb 0.00 0.00 0.34 0.00 2.41 0.00 0.00 30.24 32.99 1blq n GLN 51 CO 0.00 0.00 0.00 -0.91 0.07 0.00 0.00 177.06 176.22 1blq h ASN 52 N 0.00 -0.28 -0.48 1.69 -0.26 -1.87 -3.27 115.58 111.11 1blq h ASN 52 Ca 0.00 0.26 -0.21 0.00 -0.56 0.00 0.00 56.30 55.79 1blq h ASN 52 Cb 0.00 0.42 -0.03 0.00 -1.06 0.00 0.00 38.32 37.65 1blq h ASN 52 CO 0.00 -0.34 0.61 -2.16 -1.06 0.00 0.00 177.43 174.48 1blq s PRO 53 N -5.92 2.15 0.81 0.81 0.04 -1.26 -4.88 135.00 126.75 1blq s PRO 53 Ca -0.12 -0.45 -0.12 0.00 0.04 0.00 0.00 61.00 60.35 1blq s PRO 53 Cb 0.29 -5.06 0.08 0.00 0.04 0.00 0.00 34.50 29.85 1blq s PRO 53 CO 0.78 -4.09 1.13 0.99 0.04 0.00 0.00 177.00 175.85 1blq s THR 54 N 12.28 2.59 0.33 1.26 2.01 -1.23 -4.12 115.64 128.76 1blq s THR 54 Ca 0.75 0.19 0.02 0.00 0.31 0.00 0.00 61.69 62.96 1blq s THR 54 Cb -0.06 -3.07 0.21 0.00 0.01 0.00 0.00 72.50 69.59 1blq s THR 54 CO 0.08 -0.25 1.93 0.50 -0.69 0.00 0.00 174.62 176.20 1blq h LYS 55 N -1.07 0.74 0.00 4.92 3.64 -1.86 -0.89 116.57 122.04 1blq h LYS 55 Ca -0.47 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 58.81 1blq h LYS 55 Cb 1.30 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 1blq h LYS 55 CO 0.63 0.59 -0.52 1.49 -2.27 0.00 0.00 179.45 179.37 1blq h GLU 56 N 0.74 0.00 -0.19 1.90 4.57 -1.92 -3.27 114.58 116.41 1blq h GLU 56 Ca 0.18 0.00 -0.11 0.00 -1.18 0.00 0.00 59.36 58.26 1blq h GLU 56 Cb 0.11 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 1blq h GLU 56 CO -0.02 0.00 -0.34 1.49 -1.18 0.00 0.00 179.01 178.96 1blq h GLU 57 N 0.00 0.40 0.00 1.92 4.22 -1.52 -2.27 114.58 117.33 1blq h GLU 57 Ca 0.00 -0.17 -0.02 0.00 0.08 0.00 0.00 59.36 59.25 1blq h GLU 57 Cb 0.95 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.18 1blq h GLU 57 CO 0.00 0.69 -0.09 -0.07 -2.18 0.00 0.00 179.01 177.37 1blq h LEU 58 N 0.34 0.00 -2.14 1.64 -0.00 -1.47 -2.87 115.31 110.81 1blq h LEU 58 Ca 0.04 0.00 0.07 0.00 -0.00 0.00 0.00 57.88 57.99 1blq h LEU 58 Cb 0.76 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.41 1blq h LEU 58 CO 0.06 0.09 0.24 -0.78 -0.00 0.00 0.00 178.44 178.05 1blq h ASP 59 N 0.00 0.00 0.48 -0.43 3.58 -1.52 -0.66 116.42 117.86 1blq h ASP 59 Ca -0.00 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.43 1blq h ASP 59 Cb 0.62 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.67 1blq h ASP 59 CO 0.01 0.00 -0.23 0.00 -2.88 0.00 0.00 179.24 176.14 1blq h ALA 60 N 1.75 -0.64 0.00 -0.78 0.00 -1.65 -1.05 119.26 116.89 1blq h ALA 60 Ca 0.12 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1blq h ALA 60 Cb 0.61 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.64 1blq h ALA 60 CO -0.00 -0.65 0.00 -0.89 0.00 0.00 0.00 179.25 177.71 1blq n ILE 61 N -5.22 1.08 0.10 0.00 -0.00 -0.96 -1.20 119.36 113.16 1blq n ILE 61 Ca -0.09 0.45 0.06 0.00 -0.00 0.00 0.00 62.75 63.16 1blq n ILE 61 Cb 0.29 -1.39 -0.00 0.00 -0.00 0.00 0.00 39.64 38.54 1blq n ILE 61 CO 0.00 0.00 0.00 0.40 -0.00 0.00 0.00 176.55 176.95 1blq h ILE 62 N 0.00 0.35 0.00 1.39 1.08 -0.85 -3.28 117.51 116.20 1blq h ILE 62 Ca 0.00 -1.60 0.00 0.00 -0.39 0.00 0.00 64.86 62.87 1blq h ILE 62 Cb 0.17 1.94 0.00 0.00 -3.07 0.00 0.00 36.82 35.86 1blq h ILE 62 CO 0.00 0.20 -0.22 1.21 -0.69 0.00 0.00 178.15 178.65 1blq n GLU 63 N -2.92 0.18 0.03 2.37 2.13 -0.34 -0.21 120.64 121.88 1blq n GLU 63 Ca -0.02 0.11 -0.15 0.00 0.66 0.00 0.00 57.16 57.75 1blq n GLU 63 Cb 0.69 -1.67 -0.14 0.00 0.27 0.00 0.00 31.44 30.58 1blq n GLU 63 CO 0.00 0.00 0.00 1.05 -0.41 0.00 0.00 177.13 177.77 1blq h GLU 64 N 0.00 0.18 0.00 5.31 4.11 -1.60 -3.35 114.58 119.24 1blq h GLU 64 Ca 0.00 -0.31 -0.01 0.00 0.07 0.00 0.00 59.36 59.12 1blq h GLU 64 Cb 0.66 0.12 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 1blq h GLU 64 CO 0.00 0.98 -1.02 1.33 0.07 0.00 0.00 179.01 180.37 1blq n VAL 65 N -3.36 0.02 0.15 -1.06 0.24 -1.24 -4.64 118.33 108.44 1blq n VAL 65 Ca -0.19 -0.01 -0.01 0.00 -2.04 0.00 0.00 64.34 62.10 1blq n VAL 65 Cb 1.04 -0.60 0.15 0.00 -1.47 0.00 0.00 33.84 32.96 1blq n VAL 65 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 1blq n ASP 66 N -2.42 3.12 0.29 -1.34 9.92 0.71 -4.16 116.55 122.68 1blq n ASP 66 Ca -0.01 -2.48 0.18 0.00 -0.53 0.00 0.00 54.79 51.95 1blq n ASP 66 Cb 0.51 -0.60 0.86 0.00 -0.64 0.00 0.00 41.12 41.25 1blq n ASP 66 CO 0.00 0.00 0.00 -0.08 0.13 0.00 0.00 177.20 177.25 1blq h GLU 67 N 1.38 0.00 -0.69 -1.24 4.81 -1.55 -3.03 114.58 114.26 1blq h GLU 67 Ca 0.07 0.00 0.14 0.00 -0.13 0.00 0.00 59.36 59.44 1blq h GLU 67 Cb 1.32 0.00 -0.13 0.00 0.63 0.00 0.00 28.75 30.57 1blq h GLU 67 CO 0.28 0.04 -0.19 -0.44 -0.73 0.00 0.00 179.01 177.97 1blq h ASP 68 N 0.00 -0.71 0.00 1.04 3.32 -1.89 -3.44 116.42 114.74 1blq h ASP 68 Ca -0.00 0.21 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1blq h ASP 68 Cb 0.31 0.45 0.00 0.00 0.22 0.00 0.00 39.33 40.32 1blq h ASP 68 CO 0.00 -0.24 0.00 0.61 -1.72 0.00 0.00 179.24 177.89 1blq n GLY 69 N -1.47 0.09 0.00 2.75 0.00 -1.14 -5.07 105.19 100.35 1blq n GLY 69 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1blq n GLY 69 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1blq n SER 70 N 0.00 2.04 -0.08 1.61 2.88 -1.25 -5.01 113.62 113.81 1blq n SER 70 Ca 0.00 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.53 1blq n SER 70 Cb 0.00 0.06 -0.00 0.00 -0.75 0.00 0.00 64.21 63.52 1blq n SER 70 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1blq n GLY 71 N 2.26 0.43 3.48 0.46 0.00 -1.26 -4.96 105.19 105.60 1blq n GLY 71 Ca 0.00 -0.12 -0.14 0.00 0.00 0.00 0.00 46.02 45.75 1blq n GLY 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1blq s THR 72 N -1.79 0.00 0.16 2.61 -4.23 -1.26 -3.34 115.64 107.79 1blq s THR 72 Ca 0.00 -1.62 -0.20 0.00 -1.18 0.00 0.00 61.69 58.70 1blq s THR 72 Cb 0.00 -2.60 0.05 0.00 1.34 0.00 0.00 72.50 71.29 1blq s THR 72 CO 0.00 0.00 0.53 -0.63 -0.54 0.00 0.00 174.62 173.98 1blq s ILE 73 N -3.17 0.03 0.00 2.99 1.01 -0.47 -4.86 121.20 116.72 1blq s ILE 73 Ca 0.31 -0.40 0.00 0.00 0.00 0.00 0.00 60.65 60.56 1blq s ILE 73 Cb -0.00 -1.23 0.00 0.00 0.01 0.00 0.00 42.46 41.24 1blq s ILE 73 CO 0.20 -0.12 0.00 0.47 0.00 0.00 0.00 174.94 175.49 1blq n ASP 74 N -0.33 0.00 -0.22 3.58 9.92 -1.26 -1.58 116.55 126.66 1blq n ASP 74 Ca -0.14 -0.42 0.13 0.00 -0.53 0.00 0.00 54.79 53.83 1blq n ASP 74 Cb 0.64 0.00 0.41 0.00 -0.64 0.00 0.00 41.12 41.53 1blq n ASP 74 CO 0.00 0.00 0.00 2.22 0.13 0.00 0.00 177.20 179.55 1blq n PHE 75 N -0.53 0.00 -0.02 1.24 -1.74 -1.26 -3.52 117.46 111.64 1blq n PHE 75 Ca 0.00 0.00 -0.01 0.00 -0.56 0.00 0.00 57.45 56.88 1blq n PHE 75 Cb 0.00 -0.13 -0.00 0.00 1.52 0.00 0.00 39.48 40.86 1blq n PHE 75 CO 0.00 0.00 0.00 0.93 -0.56 0.00 0.00 176.76 177.13 1blq h GLU 76 N 1.09 0.00 0.27 3.97 5.08 -1.97 -3.24 114.58 119.78 1blq h GLU 76 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1blq h GLU 76 Cb 0.48 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 1blq h GLU 76 CO 0.00 0.00 -0.32 0.93 -1.00 0.00 0.00 179.01 178.62 1blq h GLU 77 N -0.28 -0.62 -1.19 2.33 5.08 -1.97 -0.24 114.58 117.69 1blq h GLU 77 Ca 0.00 0.04 0.34 0.00 -1.00 0.00 0.00 59.36 58.75 1blq h GLU 77 Cb 0.10 0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.43 1blq h GLU 77 CO 0.00 -0.41 0.85 0.35 -1.00 0.00 0.00 179.01 178.80 1blq h PHE 78 N -0.64 0.08 -0.27 4.33 3.57 -1.79 0.27 116.94 122.51 1blq h PHE 78 Ca -0.01 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.51 1blq h PHE 78 Cb 0.60 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 1blq h PHE 78 CO -0.21 0.00 0.14 1.25 -2.23 0.00 0.00 178.31 177.26 1blq h LEU 79 N 0.04 0.22 -2.60 0.59 5.85 -1.06 -0.21 115.31 118.15 1blq h LEU 79 Ca 0.58 0.01 0.01 0.00 0.84 0.00 0.00 57.88 59.32 1blq h LEU 79 Cb 2.23 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 43.22 1blq h LEU 79 CO -0.05 0.16 0.04 1.62 -0.34 0.00 0.00 178.44 179.88 1blq h VAL 80 N 0.30 0.32 0.00 1.05 3.04 -0.38 -0.33 116.25 120.24 1blq h VAL 80 Ca 0.11 0.00 -0.22 0.00 -1.01 0.00 0.00 66.70 65.58 1blq h VAL 80 Cb 0.02 0.96 -0.03 0.00 -2.01 0.00 0.00 31.29 30.23 1blq h VAL 80 CO -0.07 0.00 -1.11 -0.03 -1.01 0.00 0.00 177.57 175.35 1blq h MET 81 N 0.00 0.00 -0.26 4.17 1.85 -0.97 -3.04 114.93 116.67 1blq h MET 81 Ca 0.01 0.00 -0.12 0.00 -0.61 0.00 0.00 59.70 58.98 1blq h MET 81 Cb 0.10 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.11 1blq h MET 81 CO -0.00 0.86 -0.33 0.52 -0.40 0.00 0.00 176.91 177.56 1blq h MET 82 N 0.00 0.56 0.20 0.39 2.07 -0.16 -2.47 114.93 115.51 1blq h MET 82 Ca -0.06 -0.25 -0.01 0.00 -2.07 0.00 0.00 59.70 57.30 1blq h MET 82 Cb 1.79 -0.01 0.00 0.00 -1.87 0.00 0.00 31.60 31.51 1blq h MET 82 CO 0.12 0.82 -0.10 0.28 1.07 0.00 0.00 176.91 179.10 1blq h VAL 83 N 0.47 0.00 -0.90 -2.22 2.07 -1.56 -3.27 116.25 110.84 1blq h VAL 83 Ca 0.05 -0.38 0.23 0.00 0.82 0.00 0.00 66.70 67.43 1blq h VAL 83 Cb 0.81 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 30.42 1blq h VAL 83 CO 0.07 0.00 0.01 -0.09 0.02 0.00 0.00 177.57 177.57 1blq h ARG 84 N -0.64 0.05 -2.14 1.57 2.43 -1.63 0.28 114.38 114.30 1blq h ARG 84 Ca -0.03 -0.00 -0.47 0.00 -0.81 0.00 0.00 59.98 58.67 1blq h ARG 84 Cb 0.20 -0.01 -0.13 0.00 -0.42 0.00 0.00 29.97 29.61 1blq h ARG 84 CO 0.04 0.03 0.69 1.04 -1.51 0.00 0.00 179.97 180.27 1blq n GLN 85 N -5.44 2.70 -0.03 0.20 6.02 -0.93 -4.51 117.38 115.40 1blq n GLN 85 Ca 0.19 -2.19 -0.15 0.00 -0.01 0.00 0.00 57.00 54.84 1blq n GLN 85 Cb 0.63 -2.22 -0.12 0.00 1.02 0.00 0.00 30.24 29.55 1blq n GLN 85 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 1blq h MET 86 N 3.34 0.15 0.00 -1.09 2.86 -0.48 -3.15 114.93 116.57 1blq h MET 86 Ca 0.42 -0.19 -0.08 0.00 -2.06 0.00 0.00 59.70 57.79 1blq h MET 86 Cb 0.82 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.53 1blq h MET 86 CO 0.86 0.96 -0.39 1.57 1.06 0.00 0.00 176.91 180.98 1blq h LYS 87 N -0.57 0.00 0.00 1.72 5.09 -1.84 -2.34 116.57 118.63 1blq h LYS 87 Ca -0.04 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.70 1blq h LYS 87 Cb 1.07 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 33.40 1blq h LYS 87 CO 0.05 0.39 -0.02 0.93 -2.09 0.00 0.00 179.45 178.71 1blq h GLU 88 N 0.00 0.00 -0.01 0.07 5.08 -1.88 -3.45 114.58 114.39 1blq h GLU 88 Ca -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1blq h GLU 88 Cb 0.78 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.03 1blq h GLU 88 CO 0.05 0.02 -0.00 -3.47 -1.00 0.00 0.00 179.01 174.61 1blq n ASP 89 N -3.16 -3.22 0.00 1.42 -0.08 -0.88 -5.14 116.55 105.49 1blq n ASP 89 Ca -0.01 0.00 0.08 0.00 -1.51 0.00 0.00 54.79 53.36 1blq n ASP 89 Cb 0.22 -0.74 0.50 0.00 2.34 0.00 0.00 41.12 43.45 1blq n ASP 89 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32