#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n0y s GLU 2 N 0.00 1.55 0.60 0.00 0.41 -1.26 -5.14 118.70 114.86 1n0y s GLU 2 Ca 0.00 -0.75 -0.12 0.00 -0.41 0.00 0.00 54.97 53.68 1n0y s GLU 2 Cb 0.00 -1.53 -0.05 0.00 -1.78 0.00 0.00 34.13 30.77 1n0y s GLU 2 CO 0.00 0.41 1.02 1.14 -0.49 0.00 0.00 175.26 177.35 1n0y s GLN 3 N -0.62 3.63 0.14 1.61 -2.07 -1.26 -4.96 119.66 116.14 1n0y s GLN 3 Ca 0.07 0.81 -0.34 0.00 -1.82 0.00 0.00 55.36 54.09 1n0y s GLN 3 Cb -0.08 -2.09 -0.16 0.00 -1.09 0.00 0.00 33.01 29.60 1n0y s GLN 3 CO -0.00 -0.54 1.25 1.28 -1.32 0.00 0.00 175.29 175.96 1n0y n LEU 4 N -2.51 1.68 -4.95 2.60 4.77 -1.26 -4.98 117.00 112.35 1n0y n LEU 4 Ca 0.06 1.13 -0.24 0.00 -0.03 0.00 0.00 56.01 56.94 1n0y n LEU 4 Cb 0.54 -1.22 0.02 0.00 -2.33 0.00 0.00 43.42 40.43 1n0y n LEU 4 CO 0.55 -1.14 0.38 0.42 -1.33 0.00 0.00 177.39 176.27 1n0y s THR 5 N 0.11 3.54 0.24 -5.08 -4.23 -1.26 -4.90 115.64 104.06 1n0y s THR 5 Ca 0.77 -0.39 -0.06 0.00 -1.18 0.00 0.00 61.69 60.83 1n0y s THR 5 Cb -0.88 -3.35 0.20 0.00 1.34 0.00 0.00 72.50 69.82 1n0y s THR 5 CO 0.50 -0.28 1.84 -0.08 -0.54 0.00 0.00 174.62 176.05 1n0y h GLU 6 N 0.13 0.86 -0.25 3.99 4.81 -1.99 0.55 114.58 122.69 1n0y h GLU 6 Ca -0.45 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 58.63 1n0y h GLU 6 Cb 1.27 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 1n0y h GLU 6 CO 0.57 0.57 -0.27 0.93 -0.73 0.00 0.00 179.01 180.08 1n0y h GLU 7 N 0.89 0.49 -0.38 1.92 5.08 -1.99 -0.39 114.58 120.20 1n0y h GLU 7 Ca 0.36 -0.19 -0.15 0.00 -1.00 0.00 0.00 59.36 58.39 1n0y h GLU 7 Cb 0.21 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 1n0y h GLU 7 CO -0.19 0.72 -0.34 1.96 -1.00 0.00 0.00 179.01 180.16 1n0y h GLN 8 N 0.43 0.90 -0.72 2.33 4.20 -1.70 -2.00 115.11 118.54 1n0y h GLN 8 Ca 0.06 -0.46 -0.04 0.00 0.06 0.00 0.00 58.65 58.26 1n0y h GLN 8 Cb 0.70 0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.46 1n0y h GLN 8 CO 0.05 1.11 0.28 0.82 -0.67 0.00 0.00 178.83 180.42 1n0y h ILE 9 N 0.71 1.25 -0.68 2.54 2.04 -0.62 -0.70 117.51 122.05 1n0y h ILE 9 Ca 0.06 -0.80 -0.05 0.00 1.00 0.00 0.00 64.86 65.08 1n0y h ILE 9 Cb 0.93 0.40 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 1n0y h ILE 9 CO 0.09 0.32 0.23 0.00 0.00 0.00 0.00 178.15 178.79 1n0y h ALA 10 N 1.24 0.89 -0.36 1.87 0.00 -0.91 -0.67 119.26 121.33 1n0y h ALA 10 Ca 0.24 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 1n0y h ALA 10 Cb 0.22 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1n0y h ALA 10 CO -0.02 0.54 -0.14 0.93 0.00 0.00 0.00 179.25 180.57 1n0y h GLU 11 N 0.98 0.65 0.00 0.00 4.39 -0.87 -2.43 114.58 117.29 1n0y h GLU 11 Ca 0.22 -0.21 -0.09 0.00 0.34 0.00 0.00 59.36 59.62 1n0y h GLU 11 Cb 0.27 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1n0y h GLU 11 CO -0.01 0.76 -0.43 0.74 -1.16 0.00 0.00 179.01 178.91 1n0y h PHE 12 N 0.59 0.00 -0.05 4.33 0.05 -0.62 -2.12 116.94 119.12 1n0y h PHE 12 Ca 0.10 0.00 -0.14 0.00 3.82 0.00 0.00 57.97 61.75 1n0y h PHE 12 Cb 0.58 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.51 1n0y h PHE 12 CO 0.02 0.43 -0.61 -0.22 -0.18 0.00 0.00 178.31 177.76 1n0y h LYS 13 N 0.00 0.17 -0.39 1.51 1.63 -0.68 0.13 116.57 118.95 1n0y h LYS 13 Ca -0.00 -0.12 -0.13 0.00 -0.85 0.00 0.00 60.65 59.55 1n0y h LYS 13 Cb 0.79 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 32.43 1n0y h LYS 13 CO 0.06 0.73 -0.26 0.93 -3.45 0.00 0.00 179.45 177.45 1n0y h GLU 14 N 0.13 0.87 -0.51 1.90 5.08 -1.07 -0.87 114.58 120.11 1n0y h GLU 14 Ca -0.01 -0.41 -0.04 0.00 -1.00 0.00 0.00 59.36 57.90 1n0y h GLU 14 Cb 1.10 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.32 1n0y h GLU 14 CO 0.09 1.05 0.15 0.00 -1.00 0.00 0.00 179.01 179.31 1n0y h ALA 15 N 0.79 0.66 -0.71 3.43 0.00 -1.11 -2.48 119.26 119.84 1n0y h ALA 15 Ca 0.08 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 54.84 1n0y h ALA 15 Cb 0.83 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 1n0y h ALA 15 CO 0.07 0.33 0.44 0.35 0.00 0.00 0.00 179.25 180.44 1n0y h PHE 16 N 0.69 0.82 0.00 0.00 3.57 -0.56 -1.21 116.94 120.24 1n0y h PHE 16 Ca 0.16 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 1n0y h PHE 16 Cb 0.28 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 38.75 1n0y h PHE 16 CO 0.02 0.45 -0.06 0.00 -2.23 0.00 0.00 178.31 176.49 1n0y h ALA 17 N 1.32 1.35 0.00 2.41 0.00 -0.74 0.44 119.26 124.03 1n0y h ALA 17 Ca 0.30 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 55.10 1n0y h ALA 17 Cb 0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1n0y h ALA 17 CO -0.13 0.08 -0.23 -0.07 0.00 0.00 0.00 179.25 178.90 1n0y h LEU 18 N 0.00 0.00 0.00 0.00 3.38 -0.79 -3.13 115.31 114.77 1n0y h LEU 18 Ca -0.00 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.71 1n0y h LEU 18 Cb 0.18 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.90 1n0y h LEU 18 CO 0.01 0.23 -1.39 0.49 0.09 0.00 0.00 178.44 177.87 1n0y n PHE 19 N -3.63 0.91 -2.15 1.13 3.01 -0.42 -4.56 117.46 111.74 1n0y n PHE 19 Ca -0.01 0.39 -0.43 0.00 1.01 0.00 0.00 57.45 58.42 1n0y n PHE 19 Cb 0.36 -1.09 0.00 0.00 -0.01 0.00 0.00 39.48 38.74 1n0y n PHE 19 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1n0y n ASP 20 N -4.41 4.46 -0.28 4.37 2.03 0.01 -4.75 116.55 117.97 1n0y n ASP 20 Ca -0.34 -2.91 0.01 0.00 0.52 0.00 0.00 54.79 52.06 1n0y n ASP 20 Cb 0.70 -1.65 0.14 0.00 -0.72 0.00 0.00 41.12 39.59 1n0y n ASP 20 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1n0y h LYS 21 N 6.48 0.81 -0.02 -0.67 6.56 -1.80 -1.78 116.57 126.14 1n0y h LYS 21 Ca 0.49 -0.05 0.00 0.00 -1.06 0.00 0.00 60.65 60.03 1n0y h LYS 21 Cb 0.72 -0.18 0.00 0.00 -0.57 0.00 0.00 32.23 32.20 1n0y h LYS 21 CO 1.68 0.53 0.00 -0.40 -2.06 0.00 0.00 179.45 179.20 1n0y n ASP 22 N -4.71 0.41 -3.77 0.86 5.68 -1.26 -4.94 116.55 108.82 1n0y n ASP 22 Ca 0.12 -1.28 -0.24 0.00 -0.50 0.00 0.00 54.79 52.89 1n0y n ASP 22 Cb 0.22 -0.01 0.02 0.00 -1.14 0.00 0.00 41.12 40.20 1n0y n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n0y n GLY 23 N 0.98 -0.43 1.11 6.12 0.00 -0.67 -4.89 105.19 107.41 1n0y n GLY 23 Ca 0.19 0.21 0.08 0.00 0.00 0.00 0.00 46.02 46.50 1n0y n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1n0y n ASP 24 N -2.96 4.13 -0.15 1.61 5.75 -1.26 -4.94 116.55 118.73 1n0y n ASP 24 Ca -0.26 -2.71 -0.02 0.00 -0.01 0.00 0.00 54.79 51.79 1n0y n ASP 24 Cb 0.66 -0.51 -0.01 0.00 -1.03 0.00 0.00 41.12 40.23 1n0y n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1n0y n GLY 25 N 0.13 0.50 3.18 6.12 0.00 -1.26 -5.01 105.19 108.85 1n0y n GLY 25 Ca 0.21 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 1n0y n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n0y s THR 26 N -1.85 0.71 -0.25 2.61 -4.23 -1.26 -4.06 115.64 107.31 1n0y s THR 26 Ca 0.00 -1.94 0.02 0.00 -1.18 0.00 0.00 61.69 58.59 1n0y s THR 26 Cb 0.00 -1.71 0.06 0.00 1.34 0.00 0.00 72.50 72.19 1n0y s THR 26 CO 0.00 -0.85 -0.08 -0.63 -0.54 0.00 0.00 174.62 172.52 1n0y s ILE 27 N -3.62 1.84 0.59 2.99 1.01 -0.29 -4.43 121.20 119.30 1n0y s ILE 27 Ca 0.13 -1.41 -0.02 0.00 0.00 0.00 0.00 60.65 59.34 1n0y s ILE 27 Cb 0.05 -2.02 0.03 0.00 0.01 0.00 0.00 42.46 40.54 1n0y s ILE 27 CO -0.04 -0.06 0.86 0.42 0.00 0.00 0.00 174.94 176.12 1n0y s THR 28 N 1.26 2.82 0.37 2.92 -4.23 -1.26 -2.38 115.64 115.15 1n0y s THR 28 Ca -0.07 -0.43 0.06 0.00 -1.18 0.00 0.00 61.69 60.07 1n0y s THR 28 Cb -0.19 -3.12 0.21 0.00 1.34 0.00 0.00 72.50 70.74 1n0y s THR 28 CO -0.06 -0.10 1.97 0.71 -0.54 0.00 0.00 174.62 176.60 1n0y h THR 29 N -0.14 1.15 -0.19 3.99 1.35 -1.89 0.10 112.91 117.27 1n0y h THR 29 Ca -0.44 -0.50 -0.02 0.00 -0.55 0.00 0.00 66.41 64.90 1n0y h THR 29 Cb 1.29 0.75 -0.01 0.00 -1.73 0.00 0.00 68.15 68.45 1n0y h THR 29 CO 0.57 0.19 0.04 0.50 -0.25 0.00 0.00 175.52 176.56 1n0y h LYS 30 N 0.51 0.31 -0.30 4.72 3.64 -1.96 -0.07 116.57 123.43 1n0y h LYS 30 Ca 0.12 -0.08 -0.10 0.00 -1.27 0.00 0.00 60.65 59.32 1n0y h LYS 30 Cb 0.14 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.91 1n0y h LYS 30 CO -0.01 0.45 -0.25 0.93 -2.27 0.00 0.00 179.45 178.30 1n0y h GLU 31 N 0.11 0.58 -0.57 1.90 5.08 -1.77 -2.42 114.58 117.50 1n0y h GLU 31 Ca 0.06 -0.23 -0.07 0.00 -1.00 0.00 0.00 59.36 58.12 1n0y h GLU 31 Cb 0.29 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 1n0y h GLU 31 CO 0.00 0.79 0.10 1.25 -1.00 0.00 0.00 179.01 180.14 1n0y h LEU 32 N 0.51 0.89 -0.97 1.33 5.85 -0.80 -2.56 115.31 119.56 1n0y h LEU 32 Ca 0.07 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.52 1n0y h LEU 32 Cb 0.71 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.46 1n0y h LEU 32 CO 0.05 0.92 0.49 1.23 -0.34 0.00 0.00 178.44 180.80 1n0y h GLY 33 N 0.83 1.30 1.02 3.75 0.00 -0.74 -1.11 103.07 108.11 1n0y h GLY 33 Ca 0.17 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 46.92 1n0y h GLY 33 CO 0.01 0.55 0.50 -0.84 0.00 0.00 0.00 176.54 176.76 1n0y h THR 34 N 1.22 1.24 -0.28 4.70 2.02 -1.14 -1.82 112.91 118.86 1n0y h THR 34 Ca 0.31 -0.56 -0.13 0.00 0.77 0.00 0.00 66.41 66.81 1n0y h THR 34 Cb 0.01 0.07 -0.00 0.00 -1.74 0.00 0.00 68.15 66.48 1n0y h THR 34 CO -0.05 0.26 -0.32 0.58 0.37 0.00 0.00 175.52 176.36 1n0y h VAL 35 N 1.18 1.30 -0.71 3.16 2.07 -1.05 -2.85 116.25 119.35 1n0y h VAL 35 Ca 0.30 -1.50 0.01 0.00 0.82 0.00 0.00 66.70 66.33 1n0y h VAL 35 Cb -0.02 1.62 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 1n0y h VAL 35 CO -0.05 0.48 0.47 0.24 0.02 0.00 0.00 177.57 178.72 1n0y h MET 36 N 0.45 0.93 0.00 1.57 2.86 -0.99 -2.07 114.93 117.68 1n0y h MET 36 Ca 0.04 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.57 1n0y h MET 36 Cb 0.90 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 1n0y h MET 36 CO 0.08 0.61 -0.23 0.00 1.06 0.00 0.00 176.91 178.43 1n0y h ARG 37 N 0.95 0.00 0.00 1.72 3.08 -1.34 -0.78 114.38 118.02 1n0y h ARG 37 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.31 1n0y h ARG 37 Cb -0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.95 1n0y h ARG 37 CO -0.06 0.23 0.00 -1.13 -1.07 0.00 0.00 179.97 177.94 1n0y n SER 38 N -3.83 0.00 -0.32 7.04 3.41 -0.79 -2.63 113.62 116.51 1n0y n SER 38 Ca -0.02 0.12 0.03 0.00 -0.26 0.00 0.00 58.87 58.74 1n0y n SER 38 Cb 0.32 -0.35 0.09 0.00 -0.26 0.00 0.00 64.21 64.01 1n0y n SER 38 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 1n0y n LEU 39 N -1.35 2.52 -0.22 1.04 4.77 -0.63 -4.97 117.00 118.15 1n0y n LEU 39 Ca 0.10 -2.14 0.00 0.00 -0.03 0.00 0.00 56.01 53.94 1n0y n LEU 39 Cb 0.22 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 1n0y n LEU 39 CO 0.19 0.62 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 1n0y n GLY 40 N -0.15 0.85 3.49 -0.72 0.00 -1.08 -5.08 105.19 102.49 1n0y n GLY 40 Ca 0.07 -0.62 -0.24 0.00 0.00 0.00 0.00 46.02 45.23 1n0y n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1n0y s GLN 41 N -3.72 1.70 -0.42 1.61 -1.52 -0.39 -4.99 119.66 111.91 1n0y s GLN 41 Ca 0.00 -1.83 0.09 0.00 -1.95 0.00 0.00 55.36 51.67 1n0y s GLN 41 Cb 0.00 -1.63 0.35 0.00 -0.22 0.00 0.00 33.01 31.50 1n0y s GLN 41 CO 0.00 0.21 1.08 -1.71 -0.25 0.00 0.00 175.29 174.62 1n0y n ASN 42 N -0.67 -1.40 -4.64 5.90 5.15 -1.26 -3.53 115.26 114.81 1n0y n ASN 42 Ca -0.05 -3.27 -0.29 0.00 -0.60 0.00 0.00 54.58 50.36 1n0y n ASN 42 Cb 0.62 1.11 0.18 0.00 -0.53 0.00 0.00 39.78 41.16 1n0y n ASN 42 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 1n0y s PRO 43 N -0.49 0.42 0.48 1.20 0.02 -1.26 -5.04 135.00 130.33 1n0y s PRO 43 Ca 0.26 0.87 -0.04 0.00 0.02 0.00 0.00 61.00 62.11 1n0y s PRO 43 Cb 0.33 -1.71 -0.02 0.00 0.02 0.00 0.00 34.50 33.13 1n0y s PRO 43 CO -0.06 -2.83 0.76 0.99 -0.33 0.00 0.00 177.00 175.53 1n0y s THR 44 N -2.76 4.50 0.16 0.99 2.01 -1.26 -4.90 115.64 114.38 1n0y s THR 44 Ca 0.66 -0.05 -0.21 0.00 0.31 0.00 0.00 61.69 62.40 1n0y s THR 44 Cb -0.21 -3.71 0.05 0.00 0.01 0.00 0.00 72.50 68.65 1n0y s THR 44 CO 0.59 -0.64 1.64 1.05 -0.69 0.00 0.00 174.62 176.58 1n0y h GLU 45 N 0.23 -0.16 0.00 4.92 4.11 -1.99 0.17 114.58 121.86 1n0y h GLU 45 Ca -0.47 0.01 -0.05 0.00 0.07 0.00 0.00 59.36 58.92 1n0y h GLU 45 Cb 1.23 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 1n0y h GLU 45 CO 0.61 -0.11 -0.25 0.00 0.07 0.00 0.00 179.01 179.33 1n0y h ALA 46 N 1.00 1.01 0.00 1.06 0.00 -2.01 -2.56 119.26 117.76 1n0y h ALA 46 Ca 0.16 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1n0y h ALA 46 Cb 0.41 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1n0y h ALA 46 CO -0.40 0.31 -0.23 1.49 0.00 0.00 0.00 179.25 180.41 1n0y h GLU 47 N 0.00 0.00 0.03 0.00 4.81 -1.38 -2.96 114.58 115.08 1n0y h GLU 47 Ca -0.00 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.98 1n0y h GLU 47 Cb 0.78 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.17 1n0y h GLU 47 CO 0.03 0.23 -1.03 -0.07 -0.73 0.00 0.00 179.01 177.44 1n0y h LEU 48 N 0.00 0.60 -1.00 1.64 3.38 -0.33 -3.20 115.31 116.40 1n0y h LEU 48 Ca -0.00 -0.51 -0.05 0.00 0.09 0.00 0.00 57.88 57.41 1n0y h LEU 48 Cb 0.91 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.44 1n0y h LEU 48 CO 0.03 1.32 0.17 1.56 0.09 0.00 0.00 178.44 181.61 1n0y h GLN 49 N 0.23 0.90 -0.90 1.13 1.08 -1.44 -2.00 115.11 114.11 1n0y h GLN 49 Ca -0.11 -0.18 -0.02 0.00 -1.45 0.00 0.00 58.65 56.90 1n0y h GLN 49 Cb 1.69 -0.14 -0.04 0.00 -0.05 0.00 0.00 27.48 28.94 1n0y h GLN 49 CO 0.18 0.78 0.48 -0.44 -0.95 0.00 0.00 178.83 178.89 1n0y h ASP 50 N 0.87 1.13 -0.23 1.46 3.32 -1.55 0.17 116.42 121.57 1n0y h ASP 50 Ca 0.19 -0.10 -0.11 0.00 0.02 0.00 0.00 57.03 57.03 1n0y h ASP 50 Cb 0.27 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 1n0y h ASP 50 CO -0.01 0.91 -0.24 0.24 -1.72 0.00 0.00 179.24 178.42 1n0y h MET 51 N 1.26 0.71 -0.01 3.56 2.86 -1.46 -2.36 114.93 119.49 1n0y h MET 51 Ca 0.31 -0.29 -0.00 0.00 -2.06 0.00 0.00 59.70 57.66 1n0y h MET 51 Cb 0.04 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 31.67 1n0y h MET 51 CO -0.05 0.88 -0.00 0.82 1.06 0.00 0.00 176.91 179.62 1n0y h ILE 52 N 0.62 1.28 -0.11 -1.22 1.08 -0.64 -2.95 117.51 115.56 1n0y h ILE 52 Ca 0.08 -0.83 0.03 0.00 -0.39 0.00 0.00 64.86 63.75 1n0y h ILE 52 Cb 0.74 1.83 -0.00 0.00 -3.07 0.00 0.00 36.82 36.31 1n0y h ILE 52 CO 0.06 0.22 0.10 0.78 -0.69 0.00 0.00 178.15 178.61 1n0y h ASN 53 N -0.33 0.00 0.06 1.72 2.35 -0.64 0.62 115.58 119.36 1n0y h ASN 53 Ca 0.00 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 1n0y h ASN 53 Cb 0.36 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 1n0y h ASN 53 CO 0.00 0.00 -0.26 -0.08 -1.65 0.00 0.00 177.43 175.44 1n0y h GLU 54 N 0.00 0.33 0.00 0.81 4.81 -1.25 -3.23 114.58 116.05 1n0y h GLU 54 Ca 0.05 -0.12 -0.13 0.00 -0.13 0.00 0.00 59.36 59.04 1n0y h GLU 54 Cb 0.25 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 1n0y h GLU 54 CO -0.00 0.57 -1.94 0.28 -0.73 0.00 0.00 179.01 177.19 1n0y n VAL 55 N -4.13 0.49 -2.08 0.32 0.31 -0.49 -4.85 118.33 107.89 1n0y n VAL 55 Ca -0.01 -0.53 -0.28 0.00 -0.01 0.00 0.00 64.34 63.52 1n0y n VAL 55 Cb 0.39 -0.19 -0.05 0.00 -0.91 0.00 0.00 33.84 33.08 1n0y n VAL 55 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 1n0y s ASP 56 N -4.46 5.23 0.07 4.52 2.15 0.20 -4.84 116.67 119.56 1n0y s ASP 56 Ca -0.07 -0.77 -0.27 0.00 0.43 0.00 0.00 52.55 51.87 1n0y s ASP 56 Cb 0.08 -2.56 -0.17 0.00 -0.30 0.00 0.00 42.92 39.98 1n0y s ASP 56 CO 0.71 -2.67 1.65 0.00 -0.17 0.00 0.00 175.17 174.68 1n0y h ALA 57 N 11.12 -0.34 0.00 3.66 0.00 -1.88 -2.70 119.26 129.13 1n0y h ALA 57 Ca 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1n0y h ALA 57 Cb 1.00 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.92 1n0y h ALA 57 CO 1.23 -0.67 0.00 -0.40 0.00 0.00 0.00 179.25 179.41 1n0y n ASP 58 N -5.22 0.00 -4.11 0.00 5.68 -1.26 -4.89 116.55 106.75 1n0y n ASP 58 Ca -0.09 -1.20 -0.28 0.00 -0.50 0.00 0.00 54.79 52.71 1n0y n ASP 58 Cb 0.17 0.00 -0.05 0.00 -1.14 0.00 0.00 41.12 40.10 1n0y n ASP 58 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1n0y n GLY 59 N 0.35 -0.19 0.65 6.12 0.00 -1.02 -4.86 105.19 106.24 1n0y n GLY 59 Ca 0.07 0.16 0.11 0.00 0.00 0.00 0.00 46.02 46.36 1n0y n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1n0y n ASN 60 N -2.93 2.34 0.00 1.61 6.94 -1.26 -4.97 115.26 116.98 1n0y n ASN 60 Ca -0.30 -1.67 0.00 0.00 -0.02 0.00 0.00 54.58 52.59 1n0y n ASN 60 Cb 0.68 0.30 0.00 0.00 -2.36 0.00 0.00 39.78 38.40 1n0y n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1n0y n GLY 61 N 1.36 2.44 3.40 4.83 0.00 -1.26 -5.07 105.19 110.88 1n0y n GLY 61 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.93 1n0y n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1n0y s THR 62 N -2.32 0.85 -0.23 2.61 -4.23 -1.26 -4.81 115.64 106.24 1n0y s THR 62 Ca 0.00 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.42 1n0y s THR 62 Cb 0.00 -2.67 -0.04 0.00 1.34 0.00 0.00 72.50 71.13 1n0y s THR 62 CO 0.00 0.00 0.11 -0.63 -0.54 0.00 0.00 174.62 173.56 1n0y s ILE 63 N -3.47 4.94 0.42 2.99 1.01 -1.00 -4.70 121.20 121.39 1n0y s ILE 63 Ca 0.35 0.03 0.08 0.00 0.00 0.00 0.00 60.65 61.12 1n0y s ILE 63 Cb 0.07 -3.29 0.01 0.00 0.01 0.00 0.00 42.46 39.27 1n0y s ILE 63 CO 0.15 0.37 0.56 1.51 0.00 0.00 0.00 174.94 177.53 1n0y s ASP 64 N 1.02 5.64 0.20 3.58 1.47 -1.26 -1.13 116.67 126.18 1n0y s ASP 64 Ca 0.06 -0.43 -0.11 0.00 1.18 0.00 0.00 52.55 53.25 1n0y s ASP 64 Cb -0.14 -0.66 0.20 0.00 -0.34 0.00 0.00 42.92 41.97 1n0y s ASP 64 CO 0.04 -0.75 1.81 0.15 0.68 0.00 0.00 175.17 177.09 1n0y h PHE 65 N 0.66 0.64 -0.78 2.11 3.57 -1.99 -1.76 116.94 119.39 1n0y h PHE 65 Ca -0.40 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.22 1n0y h PHE 65 Cb 1.28 -0.20 -0.07 0.00 2.79 0.00 0.00 35.95 39.75 1n0y h PHE 65 CO 0.40 0.32 0.42 -1.35 -2.23 0.00 0.00 178.31 175.88 1n0y h PRO 66 N 0.66 0.68 -0.17 6.41 0.11 -1.95 0.32 132.00 138.05 1n0y h PRO 66 Ca 0.27 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 66.22 1n0y h PRO 66 Cb 0.14 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.08 1n0y h PRO 66 CO -0.16 0.45 -0.42 0.93 -0.21 0.00 0.00 178.00 178.59 1n0y h GLU 67 N 0.70 0.41 -0.34 1.05 5.08 -1.82 -0.34 114.58 119.31 1n0y h GLU 67 Ca 0.38 -0.20 -0.03 0.00 -1.00 0.00 0.00 59.36 58.50 1n0y h GLU 67 Cb 0.39 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1n0y h GLU 67 CO -0.27 0.76 0.08 0.35 -1.00 0.00 0.00 179.01 178.93 1n0y h PHE 68 N 0.34 0.58 -0.68 4.33 3.57 -0.21 -2.11 116.94 122.76 1n0y h PHE 68 Ca 0.03 -0.07 -0.06 0.00 3.53 0.00 0.00 57.97 61.40 1n0y h PHE 68 Cb 0.88 -0.16 -0.03 0.00 2.79 0.00 0.00 35.95 39.42 1n0y h PHE 68 CO 0.03 0.60 0.20 -0.07 -2.23 0.00 0.00 178.31 176.83 1n0y h LEU 69 N 0.40 1.01 -0.84 0.59 3.38 -0.17 -1.93 115.31 117.76 1n0y h LEU 69 Ca 0.11 -0.22 0.06 0.00 0.09 0.00 0.00 57.88 57.92 1n0y h LEU 69 Cb 0.31 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 1n0y h LEU 69 CO 0.00 0.96 0.51 0.28 0.09 0.00 0.00 178.44 180.29 1n0y h SER 70 N 1.01 0.80 -0.23 -0.43 0.02 -0.86 0.21 113.55 114.07 1n0y h SER 70 Ca 0.22 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.16 1n0y h SER 70 Cb 0.32 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1n0y h SER 70 CO -0.00 0.51 0.05 0.25 -1.14 0.00 0.00 176.83 176.50 1n0y h LEU 71 N 0.94 0.35 -1.30 5.07 5.85 -1.02 -1.18 115.31 124.02 1n0y h LEU 71 Ca 0.37 -0.24 -0.02 0.00 0.84 0.00 0.00 57.88 58.84 1n0y h LEU 71 Cb 0.18 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 1n0y h LEU 71 CO -0.18 0.49 0.27 0.24 -0.34 0.00 0.00 178.44 178.93 1n0y h MET 72 N 0.19 0.74 -0.49 1.25 2.86 -0.66 -0.68 114.93 118.15 1n0y h MET 72 Ca 0.07 -0.08 -0.09 0.00 -2.06 0.00 0.00 59.70 57.53 1n0y h MET 72 Cb 0.28 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.78 1n0y h MET 72 CO 0.00 0.57 -0.06 0.00 1.06 0.00 0.00 176.91 178.49 1n0y h ALA 73 N 1.55 0.66 -0.67 6.32 0.00 -0.34 -0.99 119.26 125.79 1n0y h ALA 73 Ca 0.19 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1n0y h ALA 73 Cb 0.06 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1n0y h ALA 73 CO -0.03 0.52 0.14 -0.09 0.00 0.00 0.00 179.25 179.79 1n0y h ARG 74 N 0.75 1.09 -0.43 0.00 2.43 -0.54 -0.65 114.38 117.03 1n0y h ARG 74 Ca 0.13 -0.27 -0.04 0.00 -0.81 0.00 0.00 59.98 58.99 1n0y h ARG 74 Cb 0.59 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 1n0y h ARG 74 CO 0.04 0.98 0.09 0.87 -1.51 0.00 0.00 179.97 180.43 1n0y h LYS 75 N 1.02 0.69 -0.46 0.20 1.79 -0.92 -1.55 116.57 117.34 1n0y h LYS 75 Ca 0.21 -0.17 -0.04 0.00 -2.18 0.00 0.00 60.65 58.46 1n0y h LYS 75 Cb 0.40 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.94 1n0y h LYS 75 CO 0.01 0.71 0.12 1.98 -1.08 0.00 0.00 179.45 181.19 1n0y h MET 76 N 0.55 0.74 0.00 3.15 4.05 -0.97 -0.98 114.93 121.47 1n0y h MET 76 Ca 0.13 -0.17 -0.01 0.00 -0.28 0.00 0.00 59.70 59.38 1n0y h MET 76 Cb 0.34 -0.10 -0.00 0.00 -0.80 0.00 0.00 31.60 31.03 1n0y h MET 76 CO 0.00 0.72 -0.03 -0.22 0.23 0.00 0.00 176.91 177.62 1n0y h LYS 77 N 0.62 0.00 0.03 0.39 3.64 -0.96 0.73 116.57 121.02 1n0y h LYS 77 Ca 0.15 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1n0y h LYS 77 Cb 0.31 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 1n0y h LYS 77 CO -0.00 0.03 -0.01 0.93 -2.27 0.00 0.00 179.45 178.12 1n0y h GLU 78 N 0.00 -0.04 -0.42 1.90 5.08 -0.55 -2.46 114.58 118.09 1n0y h GLU 78 Ca -0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1n0y h GLU 78 Cb 0.05 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 1n0y h GLU 78 CO 0.00 0.61 0.04 1.96 -1.00 0.00 0.00 179.01 180.62 1n0y h GLN 79 N -0.75 0.66 -0.34 2.33 4.20 -0.85 -1.55 115.11 118.81 1n0y h GLN 79 Ca -0.00 -0.14 -0.10 0.00 0.06 0.00 0.00 58.65 58.46 1n0y h GLN 79 Cb 0.67 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 1n0y h GLN 79 CO 0.01 0.65 -0.20 -0.44 -0.67 0.00 0.00 178.83 178.18 1n0y h ASP 80 N 0.63 0.64 -0.10 1.46 5.19 -0.93 0.10 116.42 123.41 1n0y h ASP 80 Ca 0.14 -0.21 -0.14 0.00 -0.62 0.00 0.00 57.03 56.20 1n0y h ASP 80 Cb 0.33 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.66 1n0y h ASP 80 CO 0.01 0.84 -0.42 -1.28 -3.12 0.00 0.00 179.24 175.27 1n0y h SER 81 N 0.57 0.68 -0.01 6.45 0.87 -0.92 -2.59 113.55 118.61 1n0y h SER 81 Ca 0.09 -0.31 -0.01 0.00 -1.23 0.00 0.00 61.79 60.33 1n0y h SER 81 Cb 0.65 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 1n0y h SER 81 CO 0.05 1.01 -0.03 -0.08 -0.53 0.00 0.00 176.83 177.25 1n0y h GLU 82 N 0.52 0.03 -0.01 2.24 4.81 -1.03 -2.99 114.58 118.16 1n0y h GLU 82 Ca 0.04 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1n0y h GLU 82 Cb 0.94 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.33 1n0y h GLU 82 CO 0.08 0.71 0.04 0.93 -0.73 0.00 0.00 179.01 180.04 1n0y h GLU 83 N -0.64 0.00 -0.01 1.92 5.08 -0.84 0.45 114.58 120.55 1n0y h GLU 83 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1n0y h GLU 83 Cb 0.72 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1n0y h GLU 83 CO 0.01 0.00 -0.34 0.39 -1.00 0.00 0.00 179.01 178.07 1n0y n GLU 84 N -3.31 0.69 -0.08 2.33 1.02 -0.98 -3.87 120.64 116.45 1n0y n GLU 84 Ca -0.03 -0.43 -0.08 0.00 -0.02 0.00 0.00 57.16 56.60 1n0y n GLU 84 Cb 0.11 -1.49 -0.13 0.00 -0.02 0.00 0.00 31.44 29.91 1n0y n GLU 84 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 1n0y n LEU 85 N -0.78 0.15 0.02 -4.62 7.94 0.13 -4.39 117.00 115.45 1n0y n LEU 85 Ca 0.10 -0.01 0.22 0.00 -1.11 0.00 0.00 56.01 55.22 1n0y n LEU 85 Cb 0.36 0.34 0.73 0.00 0.53 0.00 0.00 43.42 45.37 1n0y n LEU 85 CO 0.28 0.42 1.20 0.40 -1.11 0.00 0.00 177.39 178.58 1n0y h ILE 86 N 0.00 0.41 0.00 1.96 1.08 -0.85 -3.51 117.51 116.60 1n0y h ILE 86 Ca -0.44 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.03 1n0y h ILE 86 Cb 1.99 0.61 0.00 0.00 -3.07 0.00 0.00 36.82 36.34 1n0y h ILE 86 CO 0.02 0.00 0.00 1.21 -0.69 0.00 0.00 178.15 178.69