#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3irw n PRO 8 N 0.00 0.00 -3.56 5.56 -0.04 -1.26 -4.78 135.00 130.92 3irw n PRO 8 Ca 0.00 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.30 3irw n PRO 8 Cb 0.00 -0.82 -0.06 0.00 -0.04 0.00 0.00 33.50 32.58 3irw n PRO 8 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 3irw s ASN 9 N -0.82 -0.54 0.35 3.54 2.47 -1.26 -5.01 114.94 113.67 3irw s ASN 9 Ca 0.52 0.45 0.13 0.00 0.42 0.00 0.00 52.86 54.38 3irw s ASN 9 Cb -0.70 0.50 0.98 0.00 -1.45 0.00 0.00 41.25 40.58 3irw s ASN 9 CO 0.47 -0.64 1.75 0.45 -3.72 0.00 0.00 177.10 175.41 3irw h HIS 10 N 2.99 0.86 -2.80 0.43 3.86 -1.88 -3.41 115.15 115.20 3irw h HIS 10 Ca -0.29 0.03 -0.65 0.00 -1.16 0.00 0.00 60.37 58.31 3irw h HIS 10 Cb 1.17 -0.25 -0.07 0.00 1.06 0.00 0.00 27.41 29.33 3irw h HIS 10 CO 0.38 0.07 -0.40 0.99 0.86 0.00 0.00 177.93 179.84 3irw s THR 11 N -5.65 5.37 -0.02 2.45 2.01 -1.26 -1.24 115.64 117.30 3irw s THR 11 Ca -0.10 0.39 -0.00 0.00 0.31 0.00 0.00 61.69 62.29 3irw s THR 11 Cb 0.26 -3.50 -0.04 0.00 0.01 0.00 0.00 72.50 69.24 3irw s THR 11 CO 0.80 0.59 0.05 0.27 -0.69 0.00 0.00 174.62 175.64 3irw s ILE 12 N -0.90 4.54 -0.27 1.82 -4.36 -0.28 -3.33 121.20 118.43 3irw s ILE 12 Ca 0.17 -0.41 -0.05 0.00 -0.26 0.00 0.00 60.65 60.10 3irw s ILE 12 Cb -0.13 -3.03 0.00 0.00 1.25 0.00 0.00 42.46 40.55 3irw s ILE 12 CO 0.06 0.41 0.03 -0.47 0.24 0.00 0.00 174.94 175.21 3irw s TYR 13 N -1.11 3.09 -0.02 1.37 5.04 0.76 -1.36 117.35 125.12 3irw s TYR 13 Ca 0.20 -0.99 0.02 0.00 -2.44 0.00 0.00 57.07 53.86 3irw s TYR 13 Cb -0.12 -2.19 -0.03 0.00 0.35 0.00 0.00 41.96 39.97 3irw s TYR 13 CO 0.11 -0.57 -0.07 0.42 -1.34 0.00 0.00 175.55 174.10 3irw s ILE 14 N 1.48 3.67 0.12 3.14 1.01 -0.20 -1.12 121.20 129.30 3irw s ILE 14 Ca 0.03 -0.67 -0.03 0.00 0.00 0.00 0.00 60.65 59.99 3irw s ILE 14 Cb -0.16 -2.56 0.01 0.00 0.01 0.00 0.00 42.46 39.76 3irw s ILE 14 CO 0.00 0.47 0.20 -0.46 0.00 0.00 0.00 174.94 175.15 3irw n ASN 15 N 1.79 -0.59 -2.18 3.58 0.23 -0.45 -0.49 115.26 117.16 3irw n ASN 15 Ca -0.16 -1.53 -0.14 0.00 -0.53 0.00 0.00 54.58 52.21 3irw n ASN 15 Cb 0.53 1.01 0.04 0.00 -2.08 0.00 0.00 39.78 39.28 3irw n ASN 15 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 3irw n ASN 16 N -1.51 -4.53 -4.66 0.53 5.15 -0.36 -1.88 115.26 108.01 3irw n ASN 16 Ca -0.01 -0.26 -0.39 0.00 -0.60 0.00 0.00 54.58 53.32 3irw n ASN 16 Cb 0.18 -3.24 -0.07 0.00 -0.53 0.00 0.00 39.78 36.12 3irw n ASN 16 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3irw s LEU 17 N -4.58 4.14 -0.49 1.20 1.43 -0.08 -4.59 118.68 115.71 3irw s LEU 17 Ca 0.28 0.65 -0.44 0.00 -1.03 0.00 0.00 54.13 53.58 3irw s LEU 17 Cb -0.12 -2.68 -0.19 0.00 0.03 0.00 0.00 46.19 43.22 3irw s LEU 17 CO 0.35 -0.18 2.02 -3.20 0.23 0.00 0.00 176.35 175.57 3irw n ASN 18 N 4.81 0.90 0.09 2.29 2.85 -1.26 -4.20 115.26 120.74 3irw n ASN 18 Ca -0.05 0.79 0.12 0.00 -0.11 0.00 0.00 54.58 55.33 3irw n ASN 18 Cb 0.50 -0.91 0.45 0.00 1.24 0.00 0.00 39.78 41.07 3irw n ASN 18 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 3irw n GLU 19 N 6.75 0.18 0.23 1.20 1.02 -1.26 -2.95 120.64 125.81 3irw n GLU 19 Ca 0.49 0.28 0.09 0.00 -0.02 0.00 0.00 57.16 58.01 3irw n GLU 19 Cb -0.04 -1.77 0.52 0.00 -0.02 0.00 0.00 31.44 30.13 3irw n GLU 19 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 3irw h LYS 20 N 0.00 0.00 -7.08 3.49 1.79 -2.02 -3.44 116.57 109.31 3irw h LYS 20 Ca 0.00 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 57.98 3irw h LYS 20 Cb 0.51 0.00 0.06 0.00 -1.58 0.00 0.00 32.23 31.21 3irw h LYS 20 CO 0.00 0.23 0.42 0.42 -1.08 0.00 0.00 179.45 179.44 3irw s ILE 21 N -3.86 3.36 0.13 1.86 -1.09 -1.15 -5.04 121.20 115.41 3irw s ILE 21 Ca -0.01 0.85 -0.03 0.00 -2.23 0.00 0.00 60.65 59.23 3irw s ILE 21 Cb 0.12 -3.35 -0.05 0.00 -1.58 0.00 0.00 42.46 37.60 3irw s ILE 21 CO 0.64 -0.17 0.34 -0.54 -1.23 0.00 0.00 174.94 173.97 3irw s LYS 22 N -3.24 3.56 0.24 2.79 1.02 -1.26 -4.88 119.74 117.97 3irw s LYS 22 Ca 0.71 -0.22 -0.13 0.00 0.02 0.00 0.00 55.97 56.35 3irw s LYS 22 Cb -0.22 -2.89 0.33 0.00 -0.52 0.00 0.00 37.83 34.53 3irw s LYS 22 CO 0.25 0.49 1.58 -0.22 -0.92 0.00 0.00 175.35 176.53 3irw h LYS 23 N 2.73 -0.02 0.22 1.68 3.64 -1.96 0.28 116.57 123.14 3irw h LYS 23 Ca -0.46 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 3irw h LYS 23 Cb 1.17 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.96 3irw h LYS 23 CO 0.73 -0.01 -0.47 -0.44 -2.27 0.00 0.00 179.45 176.98 3irw h ASP 24 N -0.02 -1.39 -0.17 4.20 3.32 -1.95 -1.22 116.42 119.19 3irw h ASP 24 Ca 0.39 0.14 -0.08 0.00 0.02 0.00 0.00 57.03 57.49 3irw h ASP 24 Cb 0.62 0.50 -0.00 0.00 0.22 0.00 0.00 39.33 40.67 3irw h ASP 24 CO -0.90 -0.54 -0.22 -0.08 -1.72 0.00 0.00 179.24 175.78 3irw h GLU 25 N -0.76 0.45 -0.59 3.56 4.81 -1.76 -2.22 114.58 118.07 3irw h GLU 25 Ca -0.02 -0.26 0.11 0.00 -0.13 0.00 0.00 59.36 59.06 3irw h GLU 25 Cb 0.72 0.02 -0.12 0.00 0.63 0.00 0.00 28.75 30.00 3irw h GLU 25 CO -0.20 0.84 -0.25 1.25 -0.73 0.00 0.00 179.01 179.93 3irw h LEU 26 N 0.09 -0.87 0.10 1.64 5.85 -0.48 0.14 115.31 121.78 3irw h LEU 26 Ca 0.02 0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.95 3irw h LEU 26 Cb 0.79 0.48 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 3irw h LEU 26 CO 0.05 -0.26 -0.17 0.11 -0.34 0.00 0.00 178.44 177.83 3irw h LYS 27 N -0.09 -0.28 -0.97 1.25 1.57 -1.12 -0.23 116.57 116.69 3irw h LYS 27 Ca 0.27 0.02 0.19 0.00 -1.87 0.00 0.00 60.65 59.26 3irw h LYS 27 Cb 0.51 0.06 -0.18 0.00 0.08 0.00 0.00 32.23 32.70 3irw h LYS 27 CO -0.66 -0.19 -0.25 0.87 -0.57 0.00 0.00 179.45 178.65 3irw h LYS 28 N -0.29 -0.00 -0.01 3.15 1.57 -0.74 0.54 116.57 120.79 3irw h LYS 28 Ca -0.01 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 3irw h LYS 28 Cb 0.27 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 3irw h LYS 28 CO -0.06 -0.00 -0.01 0.77 -0.57 0.00 0.00 179.45 179.58 3irw h SER 29 N -0.00 0.02 -0.67 0.86 0.02 -0.63 0.14 113.55 113.30 3irw h SER 29 Ca 0.46 -0.48 0.12 0.00 -0.84 0.00 0.00 61.79 61.05 3irw h SER 29 Cb 0.71 -0.01 -0.09 0.00 0.14 0.00 0.00 62.40 63.15 3irw h SER 29 CO -1.00 0.50 0.22 -0.07 -1.14 0.00 0.00 176.83 175.34 3irw h LEU 30 N -0.45 0.17 -1.26 5.07 3.38 0.01 0.15 115.31 122.38 3irw h LEU 30 Ca 0.00 0.10 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 3irw h LEU 30 Cb 0.50 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 3irw h LEU 30 CO 0.00 0.08 -0.03 -0.74 0.09 0.00 0.00 178.44 177.84 3irw h HIS 31 N 0.37 0.49 0.26 1.13 2.76 0.23 0.51 115.15 120.90 3irw h HIS 31 Ca 0.36 -0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.46 3irw h HIS 31 Cb 0.52 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.34 3irw h HIS 31 CO -0.20 0.51 -0.12 0.00 -1.30 0.00 0.00 177.93 176.82 3irw h ALA 32 N 1.53 -0.94 -0.21 5.26 0.00 0.14 -1.60 119.26 123.43 3irw h ALA 32 Ca 0.10 -0.08 0.05 0.00 0.00 0.00 0.00 54.91 54.98 3irw h ALA 32 Cb 0.34 0.13 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 3irw h ALA 32 CO 0.01 -0.91 -0.38 0.82 0.00 0.00 0.00 179.25 178.79 3irw h ILE 33 N -0.39 0.18 0.00 0.00 2.04 -0.73 -3.20 117.51 115.41 3irw h ILE 33 Ca -0.04 0.00 -0.13 0.00 1.00 0.00 0.00 64.86 65.70 3irw h ILE 33 Cb 0.27 0.18 -0.02 0.00 -0.74 0.00 0.00 36.82 36.51 3irw h ILE 33 CO 0.06 0.00 -0.63 -0.26 0.00 0.00 0.00 178.15 177.32 3irw h PHE 34 N -0.41 0.00 0.00 1.37 0.04 -1.00 -3.12 116.94 113.82 3irw h PHE 34 Ca 0.10 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.87 3irw h PHE 34 Cb 0.59 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.74 3irw h PHE 34 CO -0.50 0.60 0.00 -1.13 -0.60 0.00 0.00 178.31 176.68 3irw n SER 35 N -3.24 0.00 0.12 2.17 3.41 -0.60 -1.19 113.62 114.28 3irw n SER 35 Ca 0.01 0.26 0.12 0.00 -0.26 0.00 0.00 58.87 59.01 3irw n SER 35 Cb 0.78 -0.27 0.46 0.00 -0.26 0.00 0.00 64.21 64.92 3irw n SER 35 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3irw n ARG 36 N -1.27 0.21 -0.00 4.33 0.63 -1.18 -3.63 116.66 115.76 3irw n ARG 36 Ca 0.00 0.35 0.06 0.00 -0.92 0.00 0.00 57.85 57.34 3irw n ARG 36 Cb 0.00 -1.84 -0.07 0.00 0.45 0.00 0.00 32.46 31.00 3irw n ARG 36 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 3irw n PHE 37 N -2.23 0.00 -3.62 -0.14 3.72 -0.34 -5.08 117.46 109.77 3irw n PHE 37 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 3irw n PHE 37 Cb 0.29 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.80 3irw n PHE 37 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3irw n GLY 38 N 1.35 -0.57 3.75 1.37 0.00 -1.24 -4.63 105.19 105.22 3irw n GLY 38 Ca 0.02 -0.93 -0.37 0.00 0.00 0.00 0.00 46.02 44.74 3irw n GLY 38 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3irw s GLN 39 N -1.25 4.18 -0.44 1.61 -1.52 -1.26 -4.68 119.66 116.30 3irw s GLN 39 Ca 0.00 0.12 -0.17 0.00 -1.95 0.00 0.00 55.36 53.36 3irw s GLN 39 Cb 0.00 -3.39 0.03 0.00 -0.22 0.00 0.00 33.01 29.43 3irw s GLN 39 CO 0.00 0.31 0.46 0.42 -0.25 0.00 0.00 175.29 176.22 3irw s ILE 40 N 0.25 5.07 0.47 1.08 1.01 -1.26 0.27 121.20 128.10 3irw s ILE 40 Ca 0.17 -0.44 0.16 0.00 0.00 0.00 0.00 60.65 60.54 3irw s ILE 40 Cb -0.13 -4.08 0.32 0.00 0.01 0.00 0.00 42.46 38.57 3irw s ILE 40 CO 0.05 -0.49 2.03 -0.07 0.00 0.00 0.00 174.94 176.46 3irw h LEU 41 N 9.11 0.22 -7.45 2.97 3.38 -1.08 -3.46 115.31 119.01 3irw h LEU 41 Ca -0.27 0.00 0.35 0.00 0.09 0.00 0.00 57.88 58.05 3irw h LEU 41 Cb 1.11 -0.05 -0.10 0.00 0.09 0.00 0.00 40.66 41.71 3irw h LEU 41 CO 0.83 0.14 0.88 -0.62 0.09 0.00 0.00 178.44 179.76 3irw s ASP 42 N -6.49 -0.03 -0.05 -0.43 2.15 -1.22 -5.04 116.67 105.57 3irw s ASP 42 Ca -0.07 -0.14 -0.02 0.00 0.43 0.00 0.00 52.55 52.76 3irw s ASP 42 Cb 0.19 0.13 0.03 0.00 -0.30 0.00 0.00 42.92 42.97 3irw s ASP 42 CO 0.72 -0.25 0.08 -0.63 -0.17 0.00 0.00 175.17 174.92 3irw s ILE 43 N -2.22 -0.13 -0.26 4.11 1.01 -1.26 -2.48 121.20 119.97 3irw s ILE 43 Ca 0.20 0.39 -0.06 0.00 0.00 0.00 0.00 60.65 61.18 3irw s ILE 43 Cb 0.03 -0.17 -0.00 0.00 0.01 0.00 0.00 42.46 42.33 3irw s ILE 43 CO -0.03 0.16 0.04 -0.76 0.00 0.00 0.00 174.94 174.35 3irw s LEU 44 N 2.07 3.49 -0.13 2.97 1.43 -0.65 -4.99 118.68 122.87 3irw s LEU 44 Ca 0.03 -0.53 -0.02 0.00 -1.03 0.00 0.00 54.13 52.58 3irw s LEU 44 Cb -0.12 -1.84 0.04 0.00 0.03 0.00 0.00 46.19 44.30 3irw s LEU 44 CO -0.04 -0.11 0.02 -0.69 0.23 0.00 0.00 176.35 175.77 3irw s VAL 45 N 1.51 0.40 0.13 -1.59 1.01 -1.26 -1.92 120.40 118.68 3irw s VAL 45 Ca 0.04 -0.18 0.11 0.00 0.00 0.00 0.00 61.98 61.94 3irw s VAL 45 Cb -0.16 -0.74 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 3irw s VAL 45 CO 0.01 0.02 -0.26 -0.94 0.00 0.00 0.00 175.10 173.93 3irw s SER 46 N 1.94 3.21 -0.18 3.32 1.04 -1.26 -4.90 113.70 116.87 3irw s SER 46 Ca 0.02 -0.75 0.17 0.00 0.48 0.00 0.00 55.95 55.87 3irw s SER 46 Cb -0.15 -0.21 0.48 0.00 0.10 0.00 0.00 66.02 66.24 3irw s SER 46 CO -0.07 0.16 1.37 0.54 0.98 0.00 0.00 173.24 176.22 3irw n ARG 47 N 0.91 2.50 -1.06 4.02 1.74 -1.26 -3.64 116.66 119.87 3irw n ARG 47 Ca -0.18 -2.81 -0.30 0.00 -0.77 0.00 0.00 57.85 53.79 3irw n ARG 47 Cb 0.53 -1.77 0.16 0.00 -1.02 0.00 0.00 32.46 30.36 3irw n ARG 47 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3irw s SER 48 N -2.18 2.99 0.22 0.55 1.04 -1.26 -4.72 113.70 110.34 3irw s SER 48 Ca 0.40 1.54 -0.10 0.00 0.48 0.00 0.00 55.95 58.27 3irw s SER 48 Cb 0.33 -2.20 0.32 0.00 0.10 0.00 0.00 66.02 64.57 3irw s SER 48 CO 0.07 -2.95 1.32 -0.11 0.98 0.00 0.00 173.24 172.55 3irw n LEU 49 N -4.09 -0.40 -0.11 2.42 7.94 -1.26 -1.88 117.00 119.61 3irw n LEU 49 Ca 0.07 1.47 0.05 0.00 -1.11 0.00 0.00 56.01 56.49 3irw n LEU 49 Cb 0.55 -0.40 0.08 0.00 0.53 0.00 0.00 43.42 44.18 3irw n LEU 49 CO 0.55 -1.38 0.55 0.29 -1.11 0.00 0.00 177.39 176.29 3irw n LYS 50 N -5.33 2.28 -0.25 1.96 5.02 -1.26 -4.26 118.16 116.32 3irw n LYS 50 Ca 0.12 -2.05 0.06 0.00 -2.02 0.00 0.00 58.31 54.42 3irw n LYS 50 Cb 0.39 -1.27 0.19 0.00 -0.02 0.00 0.00 35.03 34.32 3irw n LYS 50 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 3irw n MET 51 N -0.83 2.91 -3.84 1.97 2.81 -0.79 -5.04 117.12 114.31 3irw n MET 51 Ca 0.08 -2.24 -0.32 0.00 -1.81 0.00 0.00 57.70 53.41 3irw n MET 51 Cb 0.45 -1.40 -0.05 0.00 -0.71 0.00 0.00 33.22 31.52 3irw n MET 51 CO 0.00 0.00 0.00 0.50 1.51 0.00 0.00 175.97 177.98 3irw s ARG 52 N -1.34 3.50 -0.21 0.03 3.52 -1.07 -4.05 118.95 119.33 3irw s ARG 52 Ca 0.28 -0.28 0.00 0.00 -0.13 0.00 0.00 55.73 55.60 3irw s ARG 52 Cb 0.17 -3.03 0.00 0.00 -1.56 0.00 0.00 34.95 30.53 3irw s ARG 52 CO 0.16 0.61 0.00 0.41 -0.81 0.00 0.00 175.30 175.66 3irw n GLY 53 N 0.56 0.55 3.22 8.12 0.00 -1.26 -4.95 105.19 111.44 3irw n GLY 53 Ca -0.07 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.17 3irw n GLY 53 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 3irw s GLN 54 N -1.70 0.88 -0.12 1.61 -2.07 -1.26 -0.90 119.66 116.11 3irw s GLN 54 Ca 0.00 -0.97 -0.26 0.00 -1.82 0.00 0.00 55.36 52.31 3irw s GLN 54 Cb 0.00 0.35 0.06 0.00 -1.09 0.00 0.00 33.01 32.33 3irw s GLN 54 CO 0.00 -0.29 0.63 0.00 -1.32 0.00 0.00 175.29 174.31 3irw s ALA 55 N -3.87 -1.61 -0.16 2.60 0.00 0.35 -4.59 121.76 114.48 3irw s ALA 55 Ca 0.06 1.42 -0.06 0.00 0.00 0.00 0.00 51.96 53.38 3irw s ALA 55 Cb 0.05 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.73 3irw s ALA 55 CO -0.10 -0.34 0.03 -0.06 0.00 0.00 0.00 175.76 175.29 3irw s PHE 56 N -0.62 3.18 -0.30 0.00 0.40 -0.81 -1.03 117.98 118.81 3irw s PHE 56 Ca -0.07 -0.02 0.01 0.00 -0.60 0.00 0.00 56.93 56.26 3irw s PHE 56 Cb -0.02 -2.01 0.07 0.00 0.51 0.00 0.00 43.02 41.57 3irw s PHE 56 CO 0.06 0.15 -0.03 0.08 0.70 0.00 0.00 175.22 176.18 3irw s VAL 57 N 0.19 2.50 -0.23 -0.44 1.01 -0.46 -1.63 120.40 121.34 3irw s VAL 57 Ca 0.02 -1.72 -0.17 0.00 0.00 0.00 0.00 61.98 60.10 3irw s VAL 57 Cb -0.13 -2.55 -0.03 0.00 0.00 0.00 0.00 36.38 33.67 3irw s VAL 57 CO 0.01 -0.20 0.48 -0.63 0.00 0.00 0.00 175.10 174.76 3irw s ILE 58 N 1.11 5.12 0.21 2.22 1.01 -1.03 -1.12 121.20 128.72 3irw s ILE 58 Ca -0.03 0.85 0.05 0.00 0.00 0.00 0.00 60.65 61.51 3irw s ILE 58 Cb -0.20 -3.80 -0.03 0.00 0.01 0.00 0.00 42.46 38.44 3irw s ILE 58 CO -0.04 0.16 0.30 -0.36 0.00 0.00 0.00 174.94 174.99 3irw s PHE 59 N 1.84 3.38 0.05 3.97 0.08 -0.37 -0.53 117.98 126.39 3irw s PHE 59 Ca 0.21 -0.00 -0.20 0.00 0.12 0.00 0.00 56.93 57.06 3irw s PHE 59 Cb -0.15 -1.56 -0.13 0.00 -0.57 0.00 0.00 43.02 40.60 3irw s PHE 59 CO 0.09 0.48 1.38 -0.22 -0.10 0.00 0.00 175.22 176.85 3irw h LYS 60 N 1.55 0.36 -5.29 0.44 3.64 -0.49 -3.43 116.57 113.34 3irw h LYS 60 Ca -0.50 -0.17 -0.63 0.00 -1.27 0.00 0.00 60.65 58.08 3irw h LYS 60 Cb 1.22 -0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 32.84 3irw h LYS 60 CO 0.63 0.70 -0.64 -1.21 -2.27 0.00 0.00 179.45 176.66 3irw s GLU 61 N -4.45 3.76 0.62 1.90 0.41 -1.26 -4.97 118.70 114.71 3irw s GLU 61 Ca -0.14 -0.47 0.31 0.00 -0.41 0.00 0.00 54.97 54.26 3irw s GLU 61 Cb 0.05 -3.00 1.70 0.00 -1.78 0.00 0.00 34.13 31.10 3irw s GLU 61 CO 0.75 0.25 2.03 0.28 -0.49 0.00 0.00 175.26 178.08 3irw h VAL 62 N 5.07 0.24 0.00 2.63 2.07 -1.87 0.20 116.25 124.59 3irw h VAL 62 Ca -0.33 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.11 3irw h VAL 62 Cb 1.18 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.70 3irw h VAL 62 CO 0.65 0.00 -0.39 0.77 0.02 0.00 0.00 177.57 178.62 3irw h SER 63 N 0.00 0.00 -0.27 0.57 4.64 -1.93 -3.15 113.55 113.40 3irw h SER 63 Ca 0.08 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.38 3irw h SER 63 Cb 0.64 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 3irw h SER 63 CO -0.00 0.39 0.13 0.28 -0.87 0.00 0.00 176.83 176.76 3irw h SER 64 N 0.00 0.36 -0.19 4.97 0.02 -0.85 -3.04 113.55 114.82 3irw h SER 64 Ca -0.00 -0.14 0.04 0.00 -0.84 0.00 0.00 61.79 60.85 3irw h SER 64 Cb 1.18 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 63.59 3irw h SER 64 CO 0.05 0.40 -0.07 0.00 -1.14 0.00 0.00 176.83 176.07 3irw h ALA 65 N 0.98 0.10 -0.64 3.77 0.00 -1.53 -1.81 119.26 120.12 3irw h ALA 65 Ca 0.09 0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.17 3irw h ALA 65 Cb 0.13 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 18.04 3irw h ALA 65 CO -0.01 -0.50 0.29 1.15 0.00 0.00 0.00 179.25 180.19 3irw h THR 66 N -0.04 0.84 0.69 0.00 2.02 -1.53 0.11 112.91 114.99 3irw h THR 66 Ca 0.10 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 67.07 3irw h THR 66 Cb 0.19 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 66.87 3irw h THR 66 CO -0.22 0.09 -0.39 0.78 0.37 0.00 0.00 175.52 176.15 3irw h ASN 67 N 0.52 -0.96 -0.39 4.18 2.35 -1.36 0.13 115.58 120.04 3irw h ASN 67 Ca 0.32 0.05 0.04 0.00 -0.55 0.00 0.00 56.30 56.15 3irw h ASN 67 Cb 0.33 0.27 -0.05 0.00 0.05 0.00 0.00 38.32 38.93 3irw h ASN 67 CO -0.26 -0.62 -0.23 0.00 -1.65 0.00 0.00 177.43 174.66 3irw n ALA 68 N -2.60 -0.25 -0.11 -0.83 0.00 -0.71 0.26 120.51 116.28 3irw n ALA 68 Ca -0.14 0.34 -0.09 0.00 0.00 0.00 0.00 53.44 53.55 3irw n ALA 68 Cb 0.42 0.19 -0.06 0.00 0.00 0.00 0.00 19.45 20.00 3irw n ALA 68 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3irw h LEU 69 N 0.00 -1.21 -0.35 0.00 6.46 -0.63 0.03 115.31 119.61 3irw h LEU 69 Ca 0.06 0.16 0.05 0.00 -0.12 0.00 0.00 57.88 58.03 3irw h LEU 69 Cb 0.16 0.50 -0.04 0.00 -0.73 0.00 0.00 40.66 40.55 3irw h LEU 69 CO -0.37 -0.25 0.10 0.03 -0.62 0.00 0.00 178.44 177.33 3irw h ARG 70 N -0.23 0.22 -0.01 1.25 3.08 0.45 -2.83 114.38 116.32 3irw h ARG 70 Ca 0.05 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 3irw h ARG 70 Cb 0.37 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.37 3irw h ARG 70 CO -0.40 0.15 0.00 0.77 -1.07 0.00 0.00 179.97 179.42 3irw h SER 71 N 0.23 0.01 -0.26 7.04 0.02 0.43 -3.35 113.55 117.67 3irw h SER 71 Ca 0.16 -0.25 -0.15 0.00 -0.84 0.00 0.00 61.79 60.71 3irw h SER 71 Cb 0.16 -0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.60 3irw h SER 71 CO -0.19 0.26 -0.29 0.23 -1.14 0.00 0.00 176.83 175.70 3irw n MET 72 N -4.96 1.89 -1.77 3.45 2.81 -0.06 -4.97 117.12 113.51 3irw n MET 72 Ca -0.08 -3.32 -0.40 0.00 -1.81 0.00 0.00 57.70 52.09 3irw n MET 72 Cb 0.15 -1.79 0.01 0.00 -0.71 0.00 0.00 33.22 30.88 3irw n MET 72 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 3irw n GLN 73 N -1.09 2.38 -0.59 0.03 -0.06 -1.07 -2.43 117.38 114.55 3irw n GLN 73 Ca 0.29 0.84 0.00 0.00 -2.00 0.00 0.00 57.00 56.14 3irw n GLN 73 Cb 0.89 -2.64 0.00 0.00 -4.06 0.00 0.00 30.24 24.43 3irw n GLN 73 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 3irw n GLY 74 N 0.54 0.00 3.66 1.69 0.00 0.49 -4.87 105.19 106.70 3irw n GLY 74 Ca 0.04 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.59 3irw n GLY 74 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3irw n PHE 75 N -1.50 2.19 -1.79 1.61 7.35 -1.02 -3.90 117.46 120.40 3irw n PHE 75 Ca 0.00 0.27 -0.42 0.00 -0.76 0.00 0.00 57.45 56.54 3irw n PHE 75 Cb 0.19 -2.54 -0.03 0.00 0.35 0.00 0.00 39.48 37.46 3irw n PHE 75 CO 0.00 0.00 0.00 -2.14 -0.76 0.00 0.00 176.76 173.86 3irw s PRO 76 N 1.48 4.14 -0.26 -7.13 0.02 -1.25 -2.27 135.00 129.73 3irw s PRO 76 Ca 0.82 2.46 -0.03 0.00 0.02 0.00 0.00 61.00 64.27 3irw s PRO 76 Cb -0.72 -4.11 0.09 0.00 0.02 0.00 0.00 34.50 29.78 3irw s PRO 76 CO 0.42 -0.93 0.10 0.12 -0.33 0.00 0.00 177.00 176.38 3irw s PHE 77 N 4.36 0.71 -1.19 6.54 5.36 1.07 -4.74 117.98 130.10 3irw s PHE 77 Ca 0.83 -0.96 -0.04 0.00 -0.96 0.00 0.00 56.93 55.81 3irw s PHE 77 Cb -0.39 -1.06 0.00 0.00 -0.34 0.00 0.00 43.02 41.23 3irw s PHE 77 CO 0.37 -0.75 1.01 0.66 -1.46 0.00 0.00 175.22 175.06 3irw n TYR 78 N 5.14 -2.35 -0.83 10.12 4.01 -1.26 -2.57 117.16 129.42 3irw n TYR 78 Ca -0.06 0.91 0.00 0.00 -0.16 0.00 0.00 57.90 58.59 3irw n TYR 78 Cb 0.44 -4.81 0.00 0.00 -0.31 0.00 0.00 39.34 34.66 3irw n TYR 78 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 3irw n ASP 79 N -2.84 -1.73 -4.67 7.72 8.00 -1.26 -4.87 116.55 116.90 3irw n ASP 79 Ca -0.13 0.00 -0.23 0.00 0.71 0.00 0.00 54.79 55.13 3irw n ASP 79 Cb 0.61 -1.65 -0.07 0.00 -0.02 0.00 0.00 41.12 39.99 3irw n ASP 79 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3irw s LYS 80 N -0.75 2.30 0.03 -1.24 1.02 -1.06 -5.08 119.74 114.96 3irw s LYS 80 Ca 0.00 -1.49 -0.02 0.00 0.02 0.00 0.00 55.97 54.47 3irw s LYS 80 Cb 0.00 -2.14 -0.04 0.00 -0.52 0.00 0.00 37.83 35.13 3irw s LYS 80 CO 0.00 0.26 0.22 -1.25 -0.92 0.00 0.00 175.35 173.65 3irw s PRO 81 N -3.73 3.47 -0.28 -1.68 0.04 -1.26 0.35 135.00 131.90 3irw s PRO 81 Ca 0.34 -0.32 -0.19 0.00 0.04 0.00 0.00 61.00 60.87 3irw s PRO 81 Cb -0.04 -3.06 -0.02 0.00 0.04 0.00 0.00 34.50 31.42 3irw s PRO 81 CO 0.21 0.63 0.57 -1.64 0.04 0.00 0.00 177.00 176.81 3irw s MET 82 N -2.18 4.00 -0.53 4.56 -1.94 -0.96 -4.77 119.30 117.48 3irw s MET 82 Ca 0.31 0.33 -0.27 0.00 -1.71 0.00 0.00 55.69 54.34 3irw s MET 82 Cb -0.13 -3.68 0.03 0.00 2.01 0.00 0.00 34.83 33.06 3irw s MET 82 CO 0.22 -0.45 1.10 1.03 -0.01 0.00 0.00 175.02 176.92 3irw s ARG 83 N 2.44 3.55 0.13 2.03 1.81 -0.79 -0.38 118.95 127.74 3irw s ARG 83 Ca 0.23 0.26 0.05 0.00 -1.72 0.00 0.00 55.73 54.54 3irw s ARG 83 Cb -0.15 -3.98 -0.04 0.00 -0.45 0.00 0.00 34.95 30.33 3irw s ARG 83 CO 0.10 -1.50 0.07 0.42 -0.68 0.00 0.00 175.30 173.71 3irw s ILE 84 N 4.49 4.30 -0.07 1.52 1.01 -1.26 -1.34 121.20 129.86 3irw s ILE 84 Ca 0.42 -1.01 -0.32 0.00 0.00 0.00 0.00 60.65 59.74 3irw s ILE 84 Cb -0.08 -3.13 0.13 0.00 0.01 0.00 0.00 42.46 39.39 3irw s ILE 84 CO 0.27 0.01 1.35 0.00 0.00 0.00 0.00 174.94 176.57 3irw s GLN 85 N -2.71 0.22 0.55 2.79 -2.07 -0.28 -4.98 119.66 113.18 3irw s GLN 85 Ca 0.29 -0.12 -0.17 0.00 -1.82 0.00 0.00 55.36 53.54 3irw s GLN 85 Cb -0.11 0.08 -0.06 0.00 -1.09 0.00 0.00 33.01 31.83 3irw s GLN 85 CO 0.21 -0.10 1.03 0.71 -1.32 0.00 0.00 175.29 175.82 3irw s TYR 86 N -2.24 3.17 -0.02 9.60 2.02 -1.26 0.27 117.35 128.88 3irw s TYR 86 Ca 0.14 1.51 -0.30 0.00 -0.37 0.00 0.00 57.07 58.05 3irw s TYR 86 Cb 0.06 -2.93 -0.04 0.00 -0.40 0.00 0.00 41.96 38.65 3irw s TYR 86 CO -0.05 -0.78 1.15 0.00 -1.57 0.00 0.00 175.55 174.30 3irw s ALA 87 N -2.44 3.41 0.44 3.71 0.00 -1.21 -4.53 121.76 121.13 3irw s ALA 87 Ca 0.62 0.64 0.22 0.00 0.00 0.00 0.00 51.96 53.45 3irw s ALA 87 Cb -0.14 -3.46 1.21 0.00 0.00 0.00 0.00 23.12 20.73 3irw s ALA 87 CO 0.32 -0.58 1.80 0.87 0.00 0.00 0.00 175.76 178.18 3irw h LYS 88 N 7.14 0.29 -5.40 0.00 1.57 -1.94 -3.42 116.57 114.80 3irw h LYS 88 Ca -0.37 -0.02 -0.59 0.00 -1.87 0.00 0.00 60.65 57.81 3irw h LYS 88 Cb 1.18 -0.06 -0.13 0.00 0.08 0.00 0.00 32.23 33.30 3irw h LYS 88 CO 0.84 0.19 -0.58 0.99 -0.57 0.00 0.00 179.45 180.32 3irw s THR 89 N -5.34 1.50 0.86 -0.16 2.01 -1.26 -5.08 115.64 108.17 3irw s THR 89 Ca -0.08 -2.00 -0.08 0.00 0.31 0.00 0.00 61.69 59.84 3irw s THR 89 Cb 0.24 -2.73 0.18 0.00 0.01 0.00 0.00 72.50 70.20 3irw s THR 89 CO 0.79 0.00 1.17 -1.81 -0.69 0.00 0.00 174.62 174.09 3irw s ASP 90 N -3.67 3.59 0.00 3.53 1.01 -1.26 -4.90 116.67 114.97 3irw s ASP 90 Ca 0.29 -0.17 -0.00 0.00 0.71 0.00 0.00 52.55 53.37 3irw s ASP 90 Cb 0.07 0.04 -0.04 0.00 1.01 0.00 0.00 42.92 44.00 3irw s ASP 90 CO 0.14 -2.39 0.09 -0.44 0.21 0.00 0.00 175.17 172.78 3irw s SER 91 N -4.86 5.72 0.39 0.27 0.01 -1.26 -4.86 113.70 109.11 3irw s SER 91 Ca 0.72 0.15 0.21 0.00 1.31 0.00 0.00 55.95 58.33 3irw s SER 91 Cb -0.03 -1.65 1.22 0.00 0.21 0.00 0.00 66.02 65.77 3irw s SER 91 CO 0.49 0.26 1.67 0.44 0.41 0.00 0.00 173.24 176.51 3irw h ASP 92 N 3.98 0.40 0.56 2.44 5.19 -1.98 1.23 116.42 128.23 3irw h ASP 92 Ca -0.49 0.15 -0.02 0.00 -0.62 0.00 0.00 57.03 56.05 3irw h ASP 92 Cb 1.18 0.11 -0.01 0.00 0.18 0.00 0.00 39.33 40.79 3irw h ASP 92 CO 0.63 -0.12 -0.43 0.40 -3.12 0.00 0.00 179.24 176.60 3irw h ILE 93 N 0.24 0.00 -0.01 0.35 2.04 -1.95 0.14 117.51 118.31 3irw h ILE 93 Ca 0.74 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.55 3irw h ILE 93 Cb 1.98 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 38.05 3irw h ILE 93 CO -0.49 0.00 -0.25 0.40 0.00 0.00 0.00 178.15 177.82 3irw h ILE 94 N -0.95 1.18 0.44 -0.67 2.04 0.17 -3.19 117.51 116.53 3irw h ILE 94 Ca -0.07 -0.87 -0.02 0.00 1.00 0.00 0.00 64.86 64.90 3irw h ILE 94 Cb 0.79 1.45 0.00 0.00 -0.74 0.00 0.00 36.82 38.33 3irw h ILE 94 CO 0.02 0.25 -0.21 0.00 0.00 0.00 0.00 178.15 178.21 3irw h ALA 95 N 1.74 -0.65 0.00 1.87 0.00 0.12 -3.47 119.26 118.87 3irw h ALA 95 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3irw h ALA 95 Cb 0.45 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3irw h ALA 95 CO 0.03 -0.61 0.00 1.17 0.00 0.00 0.00 179.25 179.84