#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wce s THR 1 N 0.00 2.39 0.26 0.44 -4.23 -1.26 -4.85 115.64 108.38 2wce s THR 1 Ca 0.00 0.13 -0.03 0.00 -1.18 0.00 0.00 61.69 60.61 2wce s THR 1 Cb 0.00 -3.03 0.13 0.00 1.34 0.00 0.00 72.50 70.94 2wce s THR 1 CO 0.00 -0.16 1.78 0.50 -0.54 0.00 0.00 174.62 176.20 2wce h LYS 2 N -1.11 0.86 -0.22 3.99 3.11 -2.05 -0.21 116.57 120.93 2wce h LYS 2 Ca -0.47 -0.20 0.04 0.00 -2.81 0.00 0.00 60.65 57.20 2wce h LYS 2 Cb 1.31 -0.11 -0.03 0.00 -1.00 0.00 0.00 32.23 32.39 2wce h LYS 2 CO 0.64 0.81 0.01 1.25 -2.81 0.00 0.00 179.45 179.34 2wce h LEU 3 N 0.81 -0.07 -1.06 5.20 5.85 -1.99 -1.09 115.31 122.96 2wce h LEU 3 Ca 0.17 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.89 2wce h LEU 3 Cb 0.37 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 2wce h LEU 3 CO 0.01 -0.01 0.12 -0.33 -0.34 0.00 0.00 178.44 177.89 2wce h GLU 4 N 0.08 0.79 -0.61 1.25 5.08 -1.79 -0.61 114.58 118.78 2wce h GLU 4 Ca 0.10 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 2wce h GLU 4 Cb 0.13 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.23 2wce h GLU 4 CO -0.17 0.72 0.17 0.93 -1.00 0.00 0.00 179.01 179.67 2wce h GLU 5 N 0.77 0.95 -0.36 2.33 5.08 -0.61 -0.64 114.58 122.09 2wce h GLU 5 Ca 0.17 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.30 2wce h GLU 5 Cb 0.29 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 2wce h GLU 5 CO -0.00 0.85 0.17 0.45 -1.00 0.00 0.00 179.01 179.48 2wce h HIS 6 N 0.87 0.53 -0.79 4.33 3.86 -0.88 -2.08 115.15 120.99 2wce h HIS 6 Ca 0.19 -0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.38 2wce h HIS 6 Cb 0.31 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 28.58 2wce h HIS 6 CO 0.02 0.45 0.50 -0.07 0.86 0.00 0.00 177.93 179.69 2wce h LEU 7 N 0.45 0.92 -0.91 2.43 3.38 -0.96 -1.83 115.31 118.79 2wce h LEU 7 Ca 0.12 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 2wce h LEU 7 Cb 0.13 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2wce h LEU 7 CO -0.01 0.69 -0.18 -0.08 0.09 0.00 0.00 178.44 178.95 2wce h GLU 8 N 1.08 0.59 -0.61 1.13 4.81 -0.89 0.10 114.58 120.80 2wce h GLU 8 Ca 0.29 -0.21 -0.06 0.00 -0.13 0.00 0.00 59.36 59.25 2wce h GLU 8 Cb -0.08 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.23 2wce h GLU 8 CO -0.06 0.75 0.17 0.78 -0.73 0.00 0.00 179.01 179.91 2wce h GLY 9 N 0.98 1.04 0.94 1.92 0.00 -0.85 -1.08 103.07 106.03 2wce h GLY 9 Ca 0.09 -0.64 -0.07 0.00 0.00 0.00 0.00 47.33 46.71 2wce h GLY 9 CO 0.04 0.60 -0.01 -2.22 0.00 0.00 0.00 176.54 174.95 2wce h ILE 10 N 0.89 1.26 -0.55 2.60 2.04 -0.95 -1.91 117.51 120.88 2wce h ILE 10 Ca 0.19 -1.03 0.07 0.00 1.00 0.00 0.00 64.86 65.09 2wce h ILE 10 Cb 0.33 1.16 -0.06 0.00 -0.74 0.00 0.00 36.82 37.51 2wce h ILE 10 CO -0.00 0.35 0.24 0.58 0.00 0.00 0.00 178.15 179.31 2wce h VAL 11 N 0.51 0.86 -0.46 1.67 2.07 -0.67 -0.43 116.25 119.80 2wce h VAL 11 Ca 0.11 -0.15 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 2wce h VAL 11 Cb 0.49 0.37 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2wce h VAL 11 CO 0.02 0.08 0.22 -1.13 0.02 0.00 0.00 177.57 176.78 2wce h ASN 12 N 0.45 0.62 -0.40 0.57 -0.73 -1.03 -1.74 115.58 113.32 2wce h ASN 12 Ca 0.26 -0.14 -0.03 0.00 1.87 0.00 0.00 56.30 58.26 2wce h ASN 12 Cb 0.26 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 38.67 2wce h ASN 12 CO -0.23 0.58 0.12 0.40 -0.37 0.00 0.00 177.43 177.92 2wce h ILE 13 N 0.61 1.22 -0.36 2.57 2.04 -0.91 -1.30 117.51 121.38 2wce h ILE 13 Ca 0.16 -0.73 0.05 0.00 1.00 0.00 0.00 64.86 65.34 2wce h ILE 13 Cb 0.14 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.12 2wce h ILE 13 CO -0.02 0.26 0.09 0.15 0.00 0.00 0.00 178.15 178.62 2wce h PHE 14 N 0.50 0.15 0.00 1.37 3.57 -0.95 -2.25 116.94 119.33 2wce h PHE 14 Ca 0.13 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.59 2wce h PHE 14 Cb 0.27 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.99 2wce h PHE 14 CO 0.01 0.04 -0.27 0.45 -2.23 0.00 0.00 178.31 176.32 2wce h HIS 15 N 0.22 0.00 -1.00 0.41 3.86 -1.00 -0.69 115.15 116.96 2wce h HIS 15 Ca 0.17 0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.49 2wce h HIS 15 Cb 0.18 0.00 -0.08 0.00 1.06 0.00 0.00 27.41 28.57 2wce h HIS 15 CO -0.17 0.27 0.63 0.37 0.86 0.00 0.00 177.93 179.88 2wce h GLN 16 N 0.00 0.99 0.14 2.45 5.75 -0.62 -1.77 115.11 122.04 2wce h GLN 16 Ca -0.00 -0.06 -0.19 0.00 -0.15 0.00 0.00 58.65 58.25 2wce h GLN 16 Cb 0.60 -0.22 0.02 0.00 1.07 0.00 0.00 27.48 28.95 2wce h GLN 16 CO 0.03 0.65 -0.82 1.88 -2.65 0.00 0.00 178.83 177.93 2wce h TYR 17 N 1.02 0.56 0.00 3.99 -1.99 -1.35 -3.37 116.97 115.83 2wce h TYR 17 Ca 0.48 -0.40 -0.06 0.00 2.00 0.00 0.00 58.73 60.74 2wce h TYR 17 Cb 0.43 -0.02 -0.01 0.00 2.00 0.00 0.00 36.73 39.13 2wce h TYR 17 CO -0.00 1.31 -0.30 0.66 -0.00 0.00 0.00 178.16 179.82 2wce h SER 18 N -0.35 0.00 1.39 3.88 4.64 -0.87 -2.73 113.55 119.52 2wce h SER 18 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 2wce h SER 18 Cb 1.64 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.73 2wce h SER 18 CO 0.15 0.30 0.00 -0.37 -0.87 0.00 0.00 176.83 176.05 2wce h VAL 19 N 0.00 0.00 -0.92 0.95 -1.51 -1.13 -3.34 116.25 110.30 2wce h VAL 19 Ca -0.00 -0.55 0.06 0.00 -1.23 0.00 0.00 66.70 64.98 2wce h VAL 19 Cb 0.70 1.49 -0.06 0.00 -2.13 0.00 0.00 31.29 31.30 2wce h VAL 19 CO 0.04 0.00 0.60 0.03 -1.23 0.00 0.00 177.57 177.01 2wce h ARG 20 N 0.00 1.04 -4.06 5.19 3.08 -1.66 -3.44 114.38 114.53 2wce h ARG 20 Ca 0.00 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 59.85 2wce h ARG 20 Cb 0.70 -0.23 -0.18 0.00 0.08 0.00 0.00 29.97 30.33 2wce h ARG 20 CO 0.00 0.69 -0.66 0.15 -1.07 0.00 0.00 179.97 179.08 2wce s LYS 21 N -5.93 0.49 4.12 0.04 1.02 -1.25 -5.12 119.74 113.10 2wce s LYS 21 Ca -0.12 -0.89 0.00 0.00 0.02 0.00 0.00 55.97 54.98 2wce s LYS 21 Cb 0.20 0.17 0.00 0.00 -0.52 0.00 0.00 37.83 37.68 2wce s LYS 21 CO 0.80 -0.09 0.00 0.41 -0.92 0.00 0.00 175.35 175.55 2wce n GLY 22 N 0.82 2.37 3.75 -3.33 0.00 -1.26 -4.58 105.19 102.96 2wce n GLY 22 Ca -0.19 -0.36 -0.41 0.00 0.00 0.00 0.00 46.02 45.06 2wce n GLY 22 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2wce s HIS 23 N 0.00 3.01 0.28 1.61 5.65 -1.26 -4.89 115.29 119.69 2wce s HIS 23 Ca 0.00 1.11 0.30 0.00 0.25 0.00 0.00 55.06 56.72 2wce s HIS 23 Cb 0.00 -3.80 1.38 0.00 -1.18 0.00 0.00 32.58 28.98 2wce s HIS 23 CO 0.00 -2.51 2.01 0.27 -0.65 0.00 0.00 174.74 173.86 2wce h PHE 24 N 4.62 0.00 -0.01 3.88 -5.15 -1.81 -3.08 116.94 115.39 2wce h PHE 24 Ca -0.47 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 57.30 2wce h PHE 24 Cb 1.22 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.39 2wce h PHE 24 CO 0.59 0.11 -0.03 -0.40 -2.00 0.00 0.00 178.31 176.57 2wce n ASP 25 N -3.36 2.36 -4.37 -0.68 5.75 -1.26 -2.74 116.55 112.24 2wce n ASP 25 Ca -0.01 -3.14 -0.19 0.00 -0.01 0.00 0.00 54.79 51.44 2wce n ASP 25 Cb 0.29 -0.44 -0.10 0.00 -1.03 0.00 0.00 41.12 39.84 2wce n ASP 25 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2wce s THR 26 N -2.90 1.64 0.04 2.12 -4.23 -1.17 -4.35 115.64 106.80 2wce s THR 26 Ca 0.33 -2.16 -0.01 0.00 -1.18 0.00 0.00 61.69 58.67 2wce s THR 26 Cb 0.29 -2.21 -0.03 0.00 1.34 0.00 0.00 72.50 71.88 2wce s THR 26 CO 0.03 -0.47 -0.03 -1.48 -0.54 0.00 0.00 174.62 172.12 2wce s LEU 27 N -3.36 2.42 0.72 4.79 2.34 -0.77 -4.57 118.68 120.24 2wce s LEU 27 Ca 0.25 -0.85 -0.13 0.00 0.06 0.00 0.00 54.13 53.46 2wce s LEU 27 Cb 0.01 0.15 0.03 0.00 -0.56 0.00 0.00 46.19 45.83 2wce s LEU 27 CO 0.09 -0.50 1.11 -0.94 -1.06 0.00 0.00 176.35 175.04 2wce s SER 28 N -2.49 4.73 0.42 1.48 1.04 -1.26 -0.37 113.70 117.25 2wce s SER 28 Ca 0.00 1.95 0.08 0.00 0.48 0.00 0.00 55.95 58.46 2wce s SER 28 Cb 0.02 -2.54 0.90 0.00 0.10 0.00 0.00 66.02 64.50 2wce s SER 28 CO -0.07 -1.89 2.06 0.11 0.98 0.00 0.00 173.24 174.43 2wce h LYS 29 N -0.55 0.45 -0.50 4.02 1.57 -0.75 0.11 116.57 120.92 2wce h LYS 29 Ca -0.45 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.32 2wce h LYS 29 Cb 1.24 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 33.42 2wce h LYS 29 CO 0.52 0.32 0.28 0.78 -0.57 0.00 0.00 179.45 180.78 2wce h GLY 30 N 0.50 0.70 1.49 3.86 0.00 -1.22 -0.97 103.07 107.43 2wce h GLY 30 Ca 0.12 -0.20 -0.12 0.00 0.00 0.00 0.00 47.33 47.13 2wce h GLY 30 CO -0.02 0.16 -0.31 0.83 0.00 0.00 0.00 176.54 177.20 2wce h GLU 31 N 0.55 0.58 -0.83 4.80 5.08 -1.48 -2.75 114.58 120.55 2wce h GLU 31 Ca 0.21 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2wce h GLU 31 Cb 0.06 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.25 2wce h GLU 31 CO -0.11 0.83 0.44 1.25 -1.00 0.00 0.00 179.01 180.41 2wce h LEU 32 N 0.50 1.04 -0.63 1.33 5.85 -0.45 -1.36 115.31 121.59 2wce h LEU 32 Ca 0.06 -0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.71 2wce h LEU 32 Cb 0.79 -0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.50 2wce h LEU 32 CO 0.06 0.85 0.37 0.50 -0.34 0.00 0.00 178.44 179.88 2wce h LYS 33 N 1.15 0.68 -0.42 1.25 3.64 -0.90 -0.46 116.57 121.52 2wce h LYS 33 Ca 0.29 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.62 2wce h LYS 33 Cb 0.05 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.70 2wce h LYS 33 CO -0.04 0.45 0.24 0.37 -2.27 0.00 0.00 179.45 178.20 2wce h GLN 34 N 0.70 0.58 0.03 1.90 5.75 -1.24 -1.12 115.11 121.71 2wce h GLN 34 Ca 0.27 -0.06 0.02 0.00 -0.15 0.00 0.00 58.65 58.72 2wce h GLN 34 Cb 0.10 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 28.50 2wce h GLN 34 CO -0.14 0.45 -0.13 1.25 -2.65 0.00 0.00 178.83 177.61 2wce h LEU 35 N 0.55 -0.37 -0.54 -2.39 6.46 -0.80 -1.83 115.31 116.39 2wce h LEU 35 Ca 0.15 0.05 -0.05 0.00 -0.12 0.00 0.00 57.88 57.92 2wce h LEU 35 Cb 0.03 0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.09 2wce h LEU 35 CO -0.03 -0.19 0.16 -0.07 -0.62 0.00 0.00 178.44 177.70 2wce h LEU 36 N -0.24 0.79 -0.78 2.25 3.38 -1.00 0.29 115.31 120.01 2wce h LEU 36 Ca 0.04 -0.21 0.09 0.00 0.09 0.00 0.00 57.88 57.89 2wce h LEU 36 Cb 0.28 -0.21 -0.07 0.00 0.09 0.00 0.00 40.66 40.75 2wce h LEU 36 CO -0.11 0.80 0.43 0.74 0.09 0.00 0.00 178.44 180.39 2wce h THR 37 N 0.75 0.89 0.00 0.22 2.02 -0.90 -0.71 112.91 115.19 2wce h THR 37 Ca 0.17 -0.25 -0.12 0.00 0.77 0.00 0.00 66.41 66.99 2wce h THR 37 Cb 0.29 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 2wce h THR 37 CO -0.00 0.13 -0.66 0.50 0.37 0.00 0.00 175.52 175.86 2wce h LYS 38 N 0.73 0.00 0.00 6.66 3.64 -1.02 -3.27 116.57 123.31 2wce h LYS 38 Ca 0.38 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 2wce h LYS 38 Cb 0.36 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 2wce h LYS 38 CO -0.25 0.92 -0.04 0.93 -2.27 0.00 0.00 179.45 178.75 2wce h GLU 39 N -1.00 0.00 -0.32 1.90 4.39 -0.43 -2.98 114.58 116.14 2wce h GLU 39 Ca -0.18 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.38 2wce h GLU 39 Cb 1.10 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.66 2wce h GLU 39 CO -0.11 0.00 -0.09 1.28 -1.16 0.00 0.00 179.01 178.94 2wce n LEU 40 N -2.81 3.99 -0.26 1.33 4.77 -0.27 -4.83 117.00 118.90 2wce n LEU 40 Ca 0.04 -3.67 0.05 0.00 -0.03 0.00 0.00 56.01 52.40 2wce n LEU 40 Cb 0.50 -0.61 0.18 0.00 -2.33 0.00 0.00 43.42 41.16 2wce n LEU 40 CO 0.33 1.18 1.05 0.00 -1.33 0.00 0.00 177.39 178.62 2wce h ALA 41 N 1.07 1.10 0.03 -1.18 0.00 -1.57 0.18 119.26 118.88 2wce h ALA 41 Ca 0.18 0.09 -0.22 0.00 0.00 0.00 0.00 54.91 54.96 2wce h ALA 41 Cb 1.59 0.03 0.02 0.00 0.00 0.00 0.00 17.79 19.42 2wce h ALA 41 CO 0.34 -0.14 -0.88 -0.91 0.00 0.00 0.00 179.25 177.66 2wce h ASN 42 N 0.53 0.73 -0.32 0.00 2.35 -1.87 -2.24 115.58 114.76 2wce h ASN 42 Ca 0.41 -0.77 0.06 0.00 -0.55 0.00 0.00 56.30 55.45 2wce h ASN 42 Cb 0.57 -0.22 -0.05 0.00 0.05 0.00 0.00 38.32 38.66 2wce h ASN 42 CO -0.36 1.41 -0.04 0.74 -1.65 0.00 0.00 177.43 177.54 2wce h THR 43 N 0.12 0.73 -0.93 2.81 2.02 -1.66 -0.57 112.91 115.44 2wce h THR 43 Ca -0.12 -0.02 0.00 0.00 0.77 0.00 0.00 66.41 67.05 2wce h THR 43 Cb 1.57 0.68 -0.05 0.00 -1.74 0.00 0.00 68.15 68.62 2wce h THR 43 CO 0.17 0.01 0.58 0.40 0.37 0.00 0.00 175.52 177.06 2wce h ILE 44 N 0.05 1.25 -0.01 3.11 2.04 -0.66 -1.36 117.51 121.93 2wce h ILE 44 Ca 0.15 -0.50 -0.06 0.00 1.00 0.00 0.00 64.86 65.45 2wce h ILE 44 Cb 0.22 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.21 2wce h ILE 44 CO -0.29 0.25 -0.30 0.50 0.00 0.00 0.00 178.15 178.31 2wce h LYS 45 N 1.26 0.01 0.00 2.37 1.63 -0.98 -2.42 116.57 118.45 2wce h LYS 45 Ca 0.34 -0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.13 2wce h LYS 45 Cb -0.10 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.53 2wce h LYS 45 CO -0.07 0.31 0.00 0.09 -3.45 0.00 0.00 179.45 176.34 2wce n ASN 46 N -4.18 0.12 -4.64 4.20 3.02 -0.26 -4.70 115.26 108.83 2wce n ASN 46 Ca -0.02 0.52 -0.43 0.00 -0.03 0.00 0.00 54.58 54.62 2wce n ASN 46 Cb 0.35 -0.55 -0.02 0.00 -0.61 0.00 0.00 39.78 38.95 2wce n ASN 46 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2wce s ILE 47 N -3.03 4.44 0.06 2.41 1.01 -0.91 -4.73 121.20 120.45 2wce s ILE 47 Ca 0.10 1.65 -0.15 0.00 0.00 0.00 0.00 60.65 62.25 2wce s ILE 47 Cb 0.14 -4.37 -0.21 0.00 0.01 0.00 0.00 42.46 38.03 2wce s ILE 47 CO 0.42 -0.48 1.20 0.11 0.00 0.00 0.00 174.94 176.19 2wce h LYS 48 N 8.31 0.66 -5.96 2.79 1.57 -1.84 -3.40 116.57 118.69 2wce h LYS 48 Ca -0.22 -0.65 -0.60 0.00 -1.87 0.00 0.00 60.65 57.32 2wce h LYS 48 Cb 1.07 0.17 -0.11 0.00 0.08 0.00 0.00 32.23 33.44 2wce h LYS 48 CO 1.03 1.25 0.68 0.34 -0.57 0.00 0.00 179.45 182.19 2wce s ASP 49 N -7.10 6.31 0.00 0.86 3.68 -1.26 -4.90 116.67 114.26 2wce s ASP 49 Ca -0.11 -0.39 0.28 0.00 2.13 0.00 0.00 52.55 54.46 2wce s ASP 49 Cb 0.06 -2.47 1.21 0.00 -1.45 0.00 0.00 42.92 40.28 2wce s ASP 49 CO 0.89 -1.37 1.90 0.29 0.13 0.00 0.00 175.17 177.01 2wce n LYS 50 N 7.86 0.05 0.28 4.34 5.02 -1.26 -2.78 118.16 131.66 2wce n LYS 50 Ca 0.02 0.02 0.16 0.00 -2.02 0.00 0.00 58.31 56.50 2wce n LYS 50 Cb 0.48 -1.50 0.73 0.00 -0.02 0.00 0.00 35.03 34.71 2wce n LYS 50 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wce h ALA 51 N 3.00 1.03 -0.03 7.82 0.00 -1.96 -2.78 119.26 126.34 2wce h ALA 51 Ca 0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2wce h ALA 51 Cb 0.45 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2wce h ALA 51 CO 0.00 0.06 -0.00 0.28 0.00 0.00 0.00 179.25 179.58 2wce h VAL 52 N 0.00 1.28 0.14 0.00 2.07 -1.95 0.32 116.25 118.11 2wce h VAL 52 Ca -0.00 -0.84 -0.30 0.00 0.82 0.00 0.00 66.70 66.38 2wce h VAL 52 Cb 0.46 1.79 0.03 0.00 -1.52 0.00 0.00 31.29 32.05 2wce h VAL 52 CO 0.01 0.22 -1.28 0.40 0.02 0.00 0.00 177.57 176.94 2wce h ILE 53 N -0.29 1.30 -0.91 4.57 1.08 -1.78 -2.25 117.51 119.23 2wce h ILE 53 Ca 0.01 -2.54 0.09 0.00 -0.39 0.00 0.00 64.86 62.03 2wce h ILE 53 Cb 0.36 2.76 -0.12 0.00 -3.07 0.00 0.00 36.82 36.76 2wce h ILE 53 CO 0.00 0.77 -0.51 0.47 -0.69 0.00 0.00 178.15 178.19 2wce n ASP 54 N -3.76 -0.91 -0.07 1.72 9.92 -1.05 0.15 116.55 122.55 2wce n ASP 54 Ca -0.14 1.62 -0.10 0.00 -0.53 0.00 0.00 54.79 55.65 2wce n ASP 54 Cb 1.00 -0.23 -0.03 0.00 -0.64 0.00 0.00 41.12 41.23 2wce n ASP 54 CO 0.00 0.00 0.00 1.05 0.13 0.00 0.00 177.20 178.38 2wce h GLU 55 N 0.00 0.34 0.16 -1.24 -0.00 -0.90 0.13 114.58 113.07 2wce h GLU 55 Ca 0.17 -0.02 0.01 0.00 -0.00 0.00 0.00 59.36 59.51 2wce h GLU 55 Cb 0.40 -0.08 -0.02 0.00 -0.00 0.00 0.00 28.75 29.06 2wce h GLU 55 CO -0.87 0.24 -0.17 0.82 -0.00 0.00 0.00 179.01 179.04 2wce h ILE 56 N 0.34 0.62 -0.38 -1.06 2.04 -0.70 -1.57 117.51 116.79 2wce h ILE 56 Ca 0.09 0.00 -0.08 0.00 1.00 0.00 0.00 64.86 65.87 2wce h ILE 56 Cb -0.02 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 36.66 2wce h ILE 56 CO -0.02 0.00 -0.10 -0.26 0.00 0.00 0.00 178.15 177.77 2wce h PHE 57 N -0.36 0.72 -0.83 1.37 -1.00 -0.18 -0.70 116.94 115.95 2wce h PHE 57 Ca 0.01 -0.12 0.01 0.00 2.81 0.00 0.00 57.97 60.67 2wce h PHE 57 Cb 0.35 -0.19 -0.04 0.00 3.61 0.00 0.00 35.95 39.68 2wce h PHE 57 CO -0.15 0.74 0.55 1.96 -1.61 0.00 0.00 178.31 179.80 2wce h GLN 58 N 0.61 1.10 -0.70 1.51 4.20 -0.60 0.14 115.11 121.37 2wce h GLN 58 Ca 0.11 -0.07 -0.07 0.00 0.06 0.00 0.00 58.65 58.68 2wce h GLN 58 Cb 0.53 -0.25 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 2wce h GLN 58 CO 0.03 0.73 0.18 0.78 -0.67 0.00 0.00 178.83 179.88 2wce h GLY 59 N 1.13 1.21 0.99 3.46 0.00 -0.46 -0.77 103.07 108.64 2wce h GLY 59 Ca 0.30 -0.75 -0.06 0.00 0.00 0.00 0.00 47.33 46.82 2wce h GLY 59 CO -0.07 0.70 0.09 1.41 0.00 0.00 0.00 176.54 178.68 2wce h LEU 60 N 1.06 0.82 -0.97 3.11 3.38 -0.77 -2.94 115.31 118.98 2wce h LEU 60 Ca 0.22 -0.26 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 2wce h LEU 60 Cb 0.36 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.86 2wce h LEU 60 CO 0.00 0.86 0.37 0.44 0.09 0.00 0.00 178.44 180.20 2wce h ASP 61 N 0.73 1.00 0.16 -0.43 3.32 -0.53 -1.47 116.42 119.21 2wce h ASP 61 Ca 0.16 -0.11 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 2wce h ASP 61 Cb 0.39 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.68 2wce h ASP 61 CO 0.01 0.84 -0.05 0.00 -1.72 0.00 0.00 179.24 178.32 2wce h ALA 62 N 1.31 1.42 -1.32 3.45 0.00 -0.97 -3.23 119.26 119.92 2wce h ALA 62 Ca 0.26 -0.05 -0.40 0.00 0.00 0.00 0.00 54.91 54.72 2wce h ALA 62 Cb 0.11 -0.01 -0.40 0.00 0.00 0.00 0.00 17.79 17.49 2wce h ALA 62 CO -0.03 0.07 -1.19 0.09 0.00 0.00 0.00 179.25 178.18 2wce n ASN 63 N -3.76 1.31 0.29 0.00 3.02 -0.95 -4.97 115.26 110.20 2wce n ASN 63 Ca -0.02 -2.82 0.15 0.00 -0.03 0.00 0.00 54.58 51.85 2wce n ASN 63 Cb 0.15 -0.56 0.87 0.00 -0.61 0.00 0.00 39.78 39.63 2wce n ASN 63 CO 0.00 0.00 0.00 0.06 -2.62 0.00 0.00 177.26 174.70 2wce h GLN 64 N 3.00 0.00 -0.01 3.52 3.07 -1.31 -1.33 115.11 122.04 2wce h GLN 64 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.71 2wce h GLN 64 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.67 2wce h GLN 64 CO 0.51 0.04 -0.27 -0.25 0.09 0.00 0.00 178.83 178.95 2wce n ASP 65 N -3.72 1.48 -4.76 0.06 8.00 -1.26 -0.87 116.55 115.48 2wce n ASP 65 Ca -0.03 -1.21 -0.40 0.00 0.71 0.00 0.00 54.79 53.86 2wce n ASP 65 Cb 0.14 0.21 -0.04 0.00 -0.02 0.00 0.00 41.12 41.41 2wce n ASP 65 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2wce s GLU 66 N -2.40 4.59 0.14 -1.24 2.12 -0.50 -4.76 118.70 116.65 2wce s GLU 66 Ca 0.25 1.84 -0.19 0.00 0.36 0.00 0.00 54.97 57.23 2wce s GLU 66 Cb 0.19 -3.16 -0.07 0.00 0.26 0.00 0.00 34.13 31.35 2wce s GLU 66 CO 0.50 0.16 0.62 -0.65 -0.54 0.00 0.00 175.26 175.35 2wce s GLN 67 N -1.52 4.20 0.05 4.30 -1.52 -1.26 -0.89 119.66 123.01 2wce s GLN 67 Ca 0.45 0.75 0.04 0.00 -1.95 0.00 0.00 55.36 54.66 2wce s GLN 67 Cb -0.33 -3.08 -0.02 0.00 -0.22 0.00 0.00 33.01 29.36 2wce s GLN 67 CO 0.42 0.53 -0.13 0.14 -0.25 0.00 0.00 175.29 176.01 2wce s VAL 68 N -1.30 0.99 0.49 1.09 -7.23 0.50 -4.92 120.40 110.02 2wce s VAL 68 Ca 0.35 -1.10 0.07 0.00 -1.81 0.00 0.00 61.98 59.50 2wce s VAL 68 Cb -0.18 -0.94 0.07 0.00 0.56 0.00 0.00 36.38 35.89 2wce s VAL 68 CO 0.20 -0.14 0.62 -0.90 -0.31 0.00 0.00 175.10 174.57 2wce n ASP 69 N 1.64 1.93 -0.20 4.85 3.85 -1.26 -1.86 116.55 125.50 2wce n ASP 69 Ca -0.20 -2.37 -0.01 0.00 -0.71 0.00 0.00 54.79 51.51 2wce n ASP 69 Cb 0.55 -0.30 0.10 0.00 -1.35 0.00 0.00 41.12 40.12 2wce n ASP 69 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.20 176.34 2wce h PHE 70 N 0.19 0.39 -0.58 2.11 3.57 -2.00 -1.15 116.94 119.48 2wce h PHE 70 Ca -0.24 0.03 0.04 0.00 3.53 0.00 0.00 57.97 61.32 2wce h PHE 70 Cb 1.06 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.68 2wce h PHE 70 CO 0.00 0.11 0.34 0.37 -2.23 0.00 0.00 178.31 176.90 2wce h GLN 71 N 0.41 0.64 -0.40 1.11 4.15 -1.97 0.38 115.11 119.42 2wce h GLN 71 Ca 0.29 -0.04 -0.15 0.00 0.77 0.00 0.00 58.65 59.53 2wce h GLN 71 Cb 0.35 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.89 2wce h GLN 71 CO -0.29 0.42 -0.32 1.49 -1.93 0.00 0.00 178.83 178.20 2wce h GLU 72 N 0.65 0.91 -0.40 1.69 4.81 -1.84 -1.98 114.58 118.42 2wce h GLU 72 Ca 0.24 -0.44 0.08 0.00 -0.13 0.00 0.00 59.36 59.11 2wce h GLU 72 Cb 0.07 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.38 2wce h GLU 72 CO -0.13 1.09 -0.03 0.35 -0.73 0.00 0.00 179.01 179.57 2wce h PHE 73 N 0.76 -0.07 -0.01 0.92 3.57 -0.85 -2.99 116.94 118.26 2wce h PHE 73 Ca 0.08 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.44 2wce h PHE 73 Cb 0.90 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 39.71 2wce h PHE 73 CO 0.05 -0.11 -0.76 0.97 -2.23 0.00 0.00 178.31 176.24 2wce h ILE 74 N 0.07 1.49 0.00 1.41 6.09 -0.75 -0.64 117.51 125.18 2wce h ILE 74 Ca 0.20 -2.46 0.00 0.00 -1.37 0.00 0.00 64.86 61.23 2wce h ILE 74 Cb 0.29 2.33 0.00 0.00 0.47 0.00 0.00 36.82 39.91 2wce h ILE 74 CO -0.35 0.71 0.00 -1.20 -3.07 0.00 0.00 178.15 174.24 2wce n SER 75 N -3.70 0.51 0.00 2.19 7.64 -0.76 -1.10 113.62 118.40 2wce n SER 75 Ca -0.02 -0.49 0.00 0.00 1.01 0.00 0.00 58.87 59.37 2wce n SER 75 Cb 0.73 -0.12 0.00 0.00 -1.01 0.00 0.00 64.21 63.81 2wce n SER 75 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2wce n VAL 77 N 0.65 0.00 -0.30 0.44 0.31 -0.25 -1.98 118.33 117.19 2wce n VAL 77 Ca 0.00 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 64.28 2wce n VAL 77 Cb 0.09 0.00 0.07 0.00 -0.91 0.00 0.00 33.84 33.10 2wce n VAL 77 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wce h ALA 78 N 0.00 1.06 -0.18 3.52 0.00 -1.37 0.46 119.26 122.74 2wce h ALA 78 Ca 0.00 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.79 2wce h ALA 78 Cb 0.00 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.43 2wce h ALA 78 CO 0.00 0.62 -0.05 0.82 0.00 0.00 0.00 179.25 180.64 2wce h ILE 79 N 1.17 0.80 -0.64 0.00 2.04 -1.67 -1.42 117.51 117.78 2wce h ILE 79 Ca 0.28 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 66.11 2wce h ILE 79 Cb 0.10 0.80 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 2wce h ILE 79 CO -0.04 0.00 0.25 0.00 0.00 0.00 0.00 178.15 178.37 2wce h ALA 80 N 1.17 0.83 -0.54 1.87 0.00 -1.72 -1.66 119.26 119.21 2wce h ALA 80 Ca 0.09 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.85 2wce h ALA 80 Cb 0.15 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 2wce h ALA 80 CO -0.20 0.45 0.32 -0.07 0.00 0.00 0.00 179.25 179.76 2wce h LEU 81 N 0.90 0.53 -0.58 0.00 3.38 -0.66 -1.45 115.31 117.43 2wce h LEU 81 Ca 0.21 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 2wce h LEU 81 Cb 0.21 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2wce h LEU 81 CO -0.02 0.37 0.18 0.50 0.09 0.00 0.00 178.44 179.56 2wce h LYS 82 N 0.64 0.90 -0.11 1.13 3.64 -1.00 0.38 116.57 122.17 2wce h LYS 82 Ca 0.22 -0.20 -0.03 0.00 -1.27 0.00 0.00 60.65 59.37 2wce h LYS 82 Cb 0.02 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.70 2wce h LYS 82 CO -0.09 0.82 -0.06 0.00 -2.27 0.00 0.00 179.45 177.84 2wce h ALA 83 N 1.05 1.70 -0.04 5.00 0.00 -0.74 -0.85 119.26 125.37 2wce h ALA 83 Ca 0.19 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2wce h ALA 83 Cb 0.29 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2wce h ALA 83 CO -0.00 0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.47 2wce n ALA 84 N -2.50 2.57 -3.91 0.00 0.00 -0.60 -4.47 120.51 111.60 2wce n ALA 84 Ca -0.01 -0.20 -0.29 0.00 0.00 0.00 0.00 53.44 52.94 2wce n ALA 84 Cb 0.19 -1.21 0.02 0.00 0.00 0.00 0.00 19.45 18.46 2wce n ALA 84 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2wce n HIS 85 N -0.49 -2.16 -2.20 0.00 -0.00 -0.32 -1.74 115.22 108.32 2wce n HIS 85 Ca 0.12 0.88 -0.18 0.00 0.46 0.00 0.00 57.72 59.00 2wce n HIS 85 Cb 0.11 -3.96 -0.02 0.00 -0.12 0.00 0.00 29.99 26.00 2wce n HIS 85 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 2wce n TYR 86 N -4.58 -0.92 -3.15 1.57 4.01 0.13 -4.95 117.16 109.29 2wce n TYR 86 Ca -0.04 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.27 2wce n TYR 86 Cb 0.56 -3.42 -0.06 0.00 -0.31 0.00 0.00 39.34 36.11 2wce n TYR 86 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 2wce s HIS 87 N -2.79 3.04 -2.07 -0.72 3.76 -0.71 -4.89 115.29 110.91 2wce s HIS 87 Ca 0.00 -0.53 0.19 0.00 -0.15 0.00 0.00 55.06 54.57 2wce s HIS 87 Cb 0.00 -3.56 0.32 0.00 1.11 0.00 0.00 32.58 30.44 2wce s HIS 87 CO 0.00 -1.05 1.26 0.25 -0.85 0.00 0.00 174.74 174.35 2wce n THR 88 N 5.63 0.43 -4.02 1.30 -2.24 -1.26 -4.23 114.28 109.89 2wce n THR 88 Ca -0.06 -0.72 -0.30 0.00 -2.27 0.00 0.00 64.05 60.70 2wce n THR 88 Cb 0.45 1.01 -0.06 0.00 -2.10 0.00 0.00 70.33 69.64 2wce n THR 88 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 2wce s HIS 89 N -1.35 3.26 -2.00 4.78 -3.43 -1.26 -4.41 115.29 110.88 2wce s HIS 89 Ca 0.30 0.10 0.01 0.00 -0.80 0.00 0.00 55.06 54.67 2wce s HIS 89 Cb 0.18 -1.63 0.05 0.00 -1.43 0.00 0.00 32.58 29.74 2wce s HIS 89 CO 0.26 0.53 0.54 0.36 -2.00 0.00 0.00 174.74 174.43