#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2afc s ILE 3 N 0.00 5.06 -0.33 -3.67 2.07 -1.26 -4.58 121.20 118.48 2afc s ILE 3 Ca 0.00 1.16 -0.22 0.00 -1.41 0.00 0.00 60.65 60.18 2afc s ILE 3 Cb 0.00 -3.93 0.00 0.00 0.13 0.00 0.00 42.46 38.66 2afc s ILE 3 CO 0.00 0.17 0.72 -0.22 -1.91 0.00 0.00 174.94 173.70 2afc s LEU 4 N 1.55 4.14 -0.33 8.50 2.96 -0.35 -4.94 118.68 130.21 2afc s LEU 4 Ca 0.29 0.43 -0.17 0.00 -0.22 0.00 0.00 54.13 54.46 2afc s LEU 4 Cb -0.16 -2.95 -0.01 0.00 0.50 0.00 0.00 46.19 43.57 2afc s LEU 4 CO 0.11 -0.61 0.44 -0.31 -1.32 0.00 0.00 176.35 174.66 2afc s TYR 5 N 2.87 3.20 0.22 5.38 1.51 -1.26 -1.25 117.35 128.03 2afc s TYR 5 Ca 0.29 0.16 0.10 0.00 -1.01 0.00 0.00 57.07 56.61 2afc s TYR 5 Cb -0.14 -2.77 -0.04 0.00 -0.11 0.00 0.00 41.96 38.89 2afc s TYR 5 CO 0.14 -0.44 -0.12 -1.50 -1.11 0.00 0.00 175.55 172.52 2afc s ILE 6 N 2.21 2.97 -0.39 2.71 2.07 -0.66 -4.99 121.20 125.12 2afc s ILE 6 Ca 0.16 -1.93 -0.12 0.00 -1.41 0.00 0.00 60.65 57.34 2afc s ILE 6 Cb -0.16 -2.51 0.03 0.00 0.13 0.00 0.00 42.46 39.95 2afc s ILE 6 CO 0.12 -0.23 0.24 -0.54 -1.91 0.00 0.00 174.94 172.61 2afc s LYS 7 N -3.15 2.83 0.00 3.50 1.02 -1.26 -2.66 119.74 120.03 2afc s LYS 7 Ca 0.27 -1.11 0.00 0.00 0.02 0.00 0.00 55.97 55.14 2afc s LYS 7 Cb -0.07 -3.80 0.00 0.00 -0.52 0.00 0.00 37.83 33.43 2afc s LYS 7 CO 0.15 -0.75 0.00 0.41 -0.92 0.00 0.00 175.35 174.25 2afc n GLY 8 N 5.03 1.29 2.97 -3.33 0.00 -0.43 -4.96 105.19 105.77 2afc n GLY 8 Ca -0.11 -0.04 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 2afc n GLY 8 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2afc s ASP 9 N 2.00 2.47 0.53 1.61 2.15 -1.26 -4.42 116.67 119.76 2afc s ASP 9 Ca 0.00 -0.41 0.35 0.00 0.43 0.00 0.00 52.55 52.92 2afc s ASP 9 Cb 0.00 -1.04 1.70 0.00 -0.30 0.00 0.00 42.92 43.28 2afc s ASP 9 CO 0.00 -0.08 2.06 0.00 -0.17 0.00 0.00 175.17 176.98 2afc h ALA 10 N 8.08 1.00 -0.03 3.66 0.00 -1.94 -1.16 119.26 128.86 2afc h ALA 10 Ca -0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.56 2afc h ALA 10 Cb 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.92 2afc h ALA 10 CO 0.48 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.98 2afc n THR 11 N -2.89 0.04 -2.91 0.00 -2.24 -1.26 -3.58 114.28 101.43 2afc n THR 11 Ca -0.01 -0.15 -0.18 0.00 -2.27 0.00 0.00 64.05 61.45 2afc n THR 11 Cb 0.18 0.02 -0.01 0.00 -2.10 0.00 0.00 70.33 68.42 2afc n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2afc n ALA 12 N -0.34 3.18 -1.74 6.98 0.00 -0.44 -5.10 120.51 123.05 2afc n ALA 12 Ca 0.19 -3.62 -0.40 0.00 0.00 0.00 0.00 53.44 49.62 2afc n ALA 12 Cb 0.22 -0.86 0.03 0.00 0.00 0.00 0.00 19.45 18.84 2afc n ALA 12 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2afc n PRO 13 N 0.01 1.99 -2.13 0.00 -0.04 -1.24 -4.75 135.00 128.84 2afc n PRO 13 Ca 0.22 0.72 -0.23 0.00 -0.04 0.00 0.00 63.50 64.17 2afc n PRO 13 Cb 0.67 -2.56 0.14 0.00 -0.04 0.00 0.00 33.50 31.71 2afc n PRO 13 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2afc n ILE 14 N -0.51 0.00 -0.04 0.52 -6.64 -1.26 -5.01 119.36 106.42 2afc n ILE 14 Ca 0.07 -1.22 0.01 0.00 -1.77 0.00 0.00 62.75 59.83 2afc n ILE 14 Cb 0.42 -1.18 -0.00 0.00 -1.44 0.00 0.00 39.64 37.44 2afc n ILE 14 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2afc n GLY 15 N -2.38 -1.41 1.19 3.28 0.00 -1.26 -5.02 105.19 99.59 2afc n GLY 15 Ca 0.15 -1.52 -0.09 0.00 0.00 0.00 0.00 46.02 44.56 2afc n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2afc n SER 16 N -1.35 1.82 -0.27 1.61 3.41 -1.26 -5.09 113.62 112.49 2afc n SER 16 Ca 0.00 -1.63 0.03 0.00 -0.26 0.00 0.00 58.87 57.01 2afc n SER 16 Cb 0.02 0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 63.98 2afc n SER 16 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2afc n GLY 17 N 2.95 -2.38 3.77 5.00 0.00 -1.26 -4.87 105.19 108.40 2afc n GLY 17 Ca -0.02 -1.40 -0.40 0.00 0.00 0.00 0.00 46.02 44.19 2afc n GLY 17 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2afc s VAL 18 N -2.68 2.15 0.04 1.61 1.01 -1.26 -4.86 120.40 116.41 2afc s VAL 18 Ca 0.00 0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.16 2afc s VAL 18 Cb 0.00 -3.08 -0.02 0.00 0.00 0.00 0.00 36.38 33.28 2afc s VAL 18 CO 0.00 0.02 -0.12 -0.54 0.00 0.00 0.00 175.10 174.46 2afc s LYS 19 N -2.38 0.78 -0.10 2.72 1.02 -0.65 0.19 119.74 121.32 2afc s LYS 19 Ca 0.59 -0.73 0.01 0.00 0.02 0.00 0.00 55.97 55.87 2afc s LYS 19 Cb -0.43 -0.74 0.02 0.00 -0.52 0.00 0.00 37.83 36.16 2afc s LYS 19 CO 0.56 0.18 -0.12 0.08 -0.92 0.00 0.00 175.35 175.13 2afc s VAL 20 N -0.94 1.26 -0.32 3.17 1.01 0.18 -1.03 120.40 123.73 2afc s VAL 20 Ca -0.01 -0.48 -0.16 0.00 0.00 0.00 0.00 61.98 61.33 2afc s VAL 20 Cb -0.08 -1.19 -0.02 0.00 0.00 0.00 0.00 36.38 35.09 2afc s VAL 20 CO 0.01 0.40 0.40 -0.63 0.00 0.00 0.00 175.10 175.28 2afc s ILE 21 N 1.21 5.14 -0.09 2.22 1.09 0.95 -1.07 121.20 130.65 2afc s ILE 21 Ca -0.03 0.29 -0.02 0.00 -1.10 0.00 0.00 60.65 59.78 2afc s ILE 21 Cb -0.14 -3.81 -0.03 0.00 -1.06 0.00 0.00 42.46 37.41 2afc s ILE 21 CO -0.04 -0.04 0.01 0.42 -0.10 0.00 0.00 174.94 175.20 2afc s THR 22 N 2.12 4.38 0.05 2.92 -4.23 -0.93 0.18 115.64 120.13 2afc s THR 22 Ca 0.14 -0.22 -0.23 0.00 -1.18 0.00 0.00 61.69 60.21 2afc s THR 22 Cb -0.16 -2.86 0.05 0.00 1.34 0.00 0.00 72.50 70.88 2afc s THR 22 CO 0.11 0.60 0.53 -1.38 -0.54 0.00 0.00 174.62 173.94 2afc s HIS 23 N -0.78 -0.45 -0.30 3.99 -3.43 -1.08 -4.33 115.29 108.91 2afc s HIS 23 Ca 0.12 0.49 -0.21 0.00 -0.80 0.00 0.00 55.06 54.66 2afc s HIS 23 Cb -0.12 0.36 -0.01 0.00 -1.43 0.00 0.00 32.58 31.39 2afc s HIS 23 CO 0.02 -0.66 0.68 0.42 -2.00 0.00 0.00 174.74 173.21 2afc s ILE 24 N -2.49 4.89 0.32 -5.38 1.01 -1.26 -4.58 121.20 113.70 2afc s ILE 24 Ca -0.05 0.99 0.04 0.00 0.00 0.00 0.00 60.65 61.63 2afc s ILE 24 Cb -0.01 -4.04 -0.02 0.00 0.01 0.00 0.00 42.46 38.40 2afc s ILE 24 CO -0.02 -0.16 0.47 0.00 0.00 0.00 0.00 174.94 175.22 2afc s ASN 26 N -4.09 5.53 -0.17 0.00 2.20 -1.26 -2.76 114.94 114.39 2afc s ASN 26 Ca 0.41 -0.34 0.14 0.00 -0.94 0.00 0.00 52.86 52.12 2afc s ASN 26 Cb -0.09 -0.66 0.69 0.00 -2.00 0.00 0.00 41.25 39.19 2afc s ASN 26 CO 0.32 -0.89 1.57 -0.90 -2.94 0.00 0.00 177.10 174.26 2afc n ASP 27 N -2.00 4.86 -0.00 3.54 5.68 -0.50 -4.23 116.55 123.90 2afc n ASP 27 Ca 0.08 -2.67 0.10 0.00 -0.50 0.00 0.00 54.79 51.81 2afc n ASP 27 Cb 0.59 -0.62 -0.14 0.00 -1.14 0.00 0.00 41.12 39.81 2afc n ASP 27 CO 0.00 0.00 0.00 -0.38 -1.33 0.00 0.00 177.20 175.49 2afc n ILE 28 N 0.71 0.00 -0.44 2.12 -0.00 -1.26 -4.86 119.36 115.62 2afc n ILE 28 Ca 0.24 -0.22 0.00 0.00 -0.00 0.00 0.00 62.75 62.77 2afc n ILE 28 Cb 0.99 0.58 0.00 0.00 -0.00 0.00 0.00 39.64 41.20 2afc n ILE 28 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 2afc n GLY 29 N 1.41 0.77 3.77 7.39 0.00 -1.26 -5.06 105.19 112.21 2afc n GLY 29 Ca 0.01 -0.13 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 2afc n GLY 29 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2afc s GLY 30 N -2.11 2.90 -0.43 -0.02 0.00 -1.26 -4.97 107.32 101.43 2afc s GLY 30 Ca 0.00 0.34 0.06 0.00 0.00 0.00 0.00 44.72 45.12 2afc s GLY 30 CO 0.00 0.88 0.54 0.86 0.00 0.00 0.00 173.10 175.38 2afc s TRP 31 N -1.01 -0.93 0.00 1.90 -0.11 -1.26 -4.74 118.94 112.80 2afc s TRP 31 Ca 0.36 -0.60 0.00 0.00 1.22 0.00 0.00 56.10 57.08 2afc s TRP 31 Cb -0.23 -0.05 0.00 0.00 -1.50 0.00 0.00 33.47 31.69 2afc s TRP 31 CO 0.26 -1.10 0.42 0.41 -4.62 0.00 0.00 176.95 172.32 2afc n GLY 32 N 3.80 -0.03 3.40 5.86 0.00 -1.26 -4.99 105.19 111.98 2afc n GLY 32 Ca 0.15 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.07 2afc n GLY 32 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2afc s LYS 33 N 0.00 0.53 4.62 1.61 2.20 -1.26 -4.96 119.74 122.48 2afc s LYS 33 Ca 0.00 0.88 0.00 0.00 -0.36 0.00 0.00 55.97 56.49 2afc s LYS 33 Cb 0.00 0.11 0.00 0.00 -1.51 0.00 0.00 37.83 36.43 2afc s LYS 33 CO 0.00 -0.13 0.00 0.41 -0.36 0.00 0.00 175.35 175.27 2afc n GLY 34 N 3.87 0.82 0.37 5.54 0.00 -1.26 -3.96 105.19 110.57 2afc n GLY 34 Ca -0.20 -0.80 0.12 0.00 0.00 0.00 0.00 46.02 45.14 2afc n GLY 34 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 2afc h PHE 35 N 0.00 0.87 -0.90 1.61 3.57 -2.00 -1.89 116.94 118.19 2afc h PHE 35 Ca 0.00 0.03 0.14 0.00 3.53 0.00 0.00 57.97 61.67 2afc h PHE 35 Cb 0.00 -0.27 -0.09 0.00 2.79 0.00 0.00 35.95 38.38 2afc h PHE 35 CO 0.00 0.29 0.51 -0.39 -2.23 0.00 0.00 178.31 176.49 2afc h VAL 36 N 0.71 0.79 -0.43 1.41 -1.51 -1.98 -0.41 116.25 114.83 2afc h VAL 36 Ca 0.48 -0.26 -0.06 0.00 -1.23 0.00 0.00 66.70 65.63 2afc h VAL 36 Cb 0.78 -0.03 -0.02 0.00 -2.13 0.00 0.00 31.29 29.90 2afc h VAL 36 CO -0.24 0.14 0.01 -0.07 -1.23 0.00 0.00 177.57 176.18 2afc h LEU 37 N 0.75 0.66 -1.42 4.19 3.38 -1.58 -0.79 115.31 120.50 2afc h LEU 37 Ca 0.48 -0.14 -0.06 0.00 0.09 0.00 0.00 57.88 58.25 2afc h LEU 37 Cb 0.62 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2afc h LEU 37 CO -0.33 0.72 -0.29 0.00 0.09 0.00 0.00 178.44 178.64 2afc h ALA 38 N 1.35 1.44 -0.07 1.53 0.00 -1.08 0.20 119.26 122.63 2afc h ALA 38 Ca 0.14 -0.26 -0.23 0.00 0.00 0.00 0.00 54.91 54.55 2afc h ALA 38 Cb 0.39 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.15 2afc h ALA 38 CO 0.01 0.36 -0.84 -0.07 0.00 0.00 0.00 179.25 178.71 2afc h LEU 39 N 0.00 0.87 -1.11 0.00 3.38 -0.57 -3.02 115.31 114.86 2afc h LEU 39 Ca -0.00 -0.68 -0.01 0.00 0.09 0.00 0.00 57.88 57.27 2afc h LEU 39 Cb 0.54 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 2afc h LEU 39 CO 0.04 1.43 -0.04 0.28 0.09 0.00 0.00 178.44 180.24 2afc h SER 40 N 0.39 0.00 -0.64 -0.43 0.02 -0.59 0.26 113.55 112.55 2afc h SER 40 Ca -0.08 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 60.84 2afc h SER 40 Cb 1.49 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 64.00 2afc h SER 40 CO 0.17 0.04 0.30 0.50 -1.14 0.00 0.00 176.83 176.70 2afc h LYS 41 N 0.00 0.96 0.00 3.45 3.64 -0.49 -3.33 116.57 120.80 2afc h LYS 41 Ca -0.00 -0.14 -0.42 0.00 -1.27 0.00 0.00 60.65 58.82 2afc h LYS 41 Cb 0.65 -0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 32.23 2afc h LYS 41 CO 0.00 0.76 -2.35 1.63 -2.27 0.00 0.00 179.45 177.23 2afc n LYS 42 N -4.33 0.60 -4.98 1.90 5.02 -0.96 -5.01 118.16 110.40 2afc n LYS 42 Ca 0.06 0.29 -0.27 0.00 -2.02 0.00 0.00 58.31 56.37 2afc n LYS 42 Cb 0.15 -1.54 -0.16 0.00 -0.02 0.00 0.00 35.03 33.46 2afc n LYS 42 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 2afc s TRP 43 N -2.49 1.89 -0.17 2.13 0.51 0.88 -5.13 118.94 116.56 2afc s TRP 43 Ca -0.37 -0.47 -0.04 0.00 -2.12 0.00 0.00 56.10 53.10 2afc s TRP 43 Cb 0.13 -1.24 -0.06 0.00 -0.81 0.00 0.00 33.47 31.48 2afc s TRP 43 CO 0.53 -0.12 2.85 0.36 -0.51 0.00 0.00 176.95 180.06 2afc n LYS 44 N 2.88 1.89 0.00 4.98 -0.00 -1.26 -3.82 118.16 122.83 2afc n LYS 44 Ca -0.17 -1.25 0.00 0.00 -0.00 0.00 0.00 58.31 56.89 2afc n LYS 44 Cb 0.53 -1.79 0.00 0.00 -0.00 0.00 0.00 35.03 33.77 2afc n LYS 44 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.40 175.10 2afc n PRO 46 N 1.55 0.00 -0.20 -1.58 -0.02 -1.26 -2.19 135.00 131.31 2afc n PRO 46 Ca 0.34 0.00 -0.05 0.00 -2.02 0.00 0.00 63.50 61.78 2afc n PRO 46 Cb 0.69 0.00 0.05 0.00 -0.02 0.00 0.00 33.50 34.22 2afc n PRO 46 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2afc h GLU 47 N 0.00 0.67 -0.42 -0.52 4.81 -1.94 -0.65 114.58 116.52 2afc h GLU 47 Ca 0.00 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.11 2afc h GLU 47 Cb 0.00 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.21 2afc h GLU 47 CO 0.00 0.45 -0.06 1.49 -0.73 0.00 0.00 179.01 180.16 2afc h GLU 48 N 0.69 0.79 -0.50 1.92 4.57 -1.82 -1.85 114.58 118.38 2afc h GLU 48 Ca 0.23 -0.28 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 2afc h GLU 48 Cb 0.03 -0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.54 2afc h GLU 48 CO -0.10 0.89 0.27 0.00 -1.18 0.00 0.00 179.01 178.89 2afc h ALA 49 N 0.87 0.64 0.29 2.92 0.00 -1.76 -1.33 119.26 120.89 2afc h ALA 49 Ca 0.11 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2afc h ALA 49 Cb 0.57 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.16 2afc h ALA 49 CO 0.03 0.16 -0.14 -0.92 0.00 0.00 0.00 179.25 178.38 2afc h TYR 50 N 0.66 -0.37 -0.21 0.00 3.20 -1.01 -1.41 116.97 117.84 2afc h TYR 50 Ca 0.18 -0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.07 2afc h TYR 50 Cb 0.05 0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.41 2afc h TYR 50 CO -0.02 -0.23 -0.02 0.00 -1.64 0.00 0.00 178.16 176.26 2afc h ARG 51 N -0.39 0.04 -0.39 1.82 3.08 -1.23 0.32 114.38 117.62 2afc h ARG 51 Ca -0.04 -0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.02 2afc h ARG 51 Cb 0.31 -0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 2afc h ARG 51 CO 0.06 0.03 0.26 1.96 -1.07 0.00 0.00 179.97 181.21 2afc h GLN 52 N 0.04 0.50 -0.14 0.04 4.20 -1.15 0.59 115.11 119.19 2afc h GLN 52 Ca 0.10 -0.03 -0.17 0.00 0.06 0.00 0.00 58.65 58.61 2afc h GLN 52 Cb 0.13 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 2afc h GLN 52 CO -0.18 0.33 -0.61 2.35 -0.67 0.00 0.00 178.83 180.05 2afc h TRP 53 N 0.52 0.62 -0.25 2.96 7.01 -0.54 -2.19 115.95 124.08 2afc h TRP 53 Ca 0.15 -0.24 -0.07 0.00 2.11 0.00 0.00 58.89 60.84 2afc h TRP 53 Cb -0.04 -0.11 -0.01 0.00 -2.10 0.00 0.00 29.16 26.90 2afc h TRP 53 CO -0.00 0.97 -0.12 -0.92 -2.79 0.00 0.00 178.44 175.59 2afc h TYR 54 N 0.36 0.60 -0.13 2.65 3.20 0.51 -2.23 116.97 121.92 2afc h TYR 54 Ca -0.01 -0.15 -0.10 0.00 3.14 0.00 0.00 58.73 61.62 2afc h TYR 54 Cb 1.16 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 39.28 2afc h TYR 54 CO 0.04 0.78 -0.34 -0.22 -1.64 0.00 0.00 178.16 176.78 2afc h LYS 55 N 0.25 0.27 0.00 1.82 3.64 -0.91 -2.84 116.57 118.80 2afc h LYS 55 Ca 0.06 -0.11 -0.10 0.00 -1.27 0.00 0.00 60.65 59.22 2afc h LYS 55 Cb 0.62 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 2afc h LYS 55 CO 0.04 0.59 -0.48 0.66 -2.27 0.00 0.00 179.45 177.98 2afc h SER 56 N 0.24 0.00 -2.95 4.20 4.64 -1.39 -3.47 113.55 114.81 2afc h SER 56 Ca 0.03 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.02 2afc h SER 56 Cb 0.72 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.77 2afc h SER 56 CO 0.05 0.48 -0.39 0.00 -0.87 0.00 0.00 176.83 176.10 2afc n GLN 57 N -3.24 -1.84 -3.00 4.77 1.13 -0.84 -4.90 117.38 109.46 2afc n GLN 57 Ca 0.02 0.82 -0.44 0.00 -1.94 0.00 0.00 57.00 55.46 2afc n GLN 57 Cb 0.71 -5.38 -0.03 0.00 0.11 0.00 0.00 30.24 25.65 2afc n GLN 57 CO 0.00 0.00 0.00 -1.21 -1.44 0.00 0.00 177.06 174.41 2afc s GLU 58 N -4.66 3.28 -1.33 -1.09 2.02 -1.26 -4.10 118.70 111.56 2afc s GLU 58 Ca 0.00 -1.41 0.00 0.00 0.02 0.00 0.00 54.97 53.58 2afc s GLU 58 Cb 0.00 -4.48 0.00 0.00 0.10 0.00 0.00 34.13 29.75 2afc s GLU 58 CO 0.00 -1.67 0.00 0.39 0.02 0.00 0.00 175.26 174.00 2afc n GLU 59 N 6.60 -0.91 -2.63 1.61 1.02 -1.26 -4.92 120.64 120.15 2afc n GLU 59 Ca 0.05 0.91 -0.42 0.00 -0.02 0.00 0.00 57.16 57.68 2afc n GLU 59 Cb 0.46 -4.98 -0.03 0.00 -0.02 0.00 0.00 31.44 26.87 2afc n GLU 59 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2afc s PHE 60 N -2.50 2.53 0.11 -0.32 5.36 -1.26 -4.82 117.98 117.09 2afc s PHE 60 Ca 0.00 -0.61 -0.16 0.00 -0.96 0.00 0.00 56.93 55.19 2afc s PHE 60 Cb 0.00 -4.59 0.04 0.00 -0.34 0.00 0.00 43.02 38.13 2afc s PHE 60 CO 0.00 -1.90 0.41 -0.08 -1.46 0.00 0.00 175.22 172.18 2afc s THR 61 N 4.87 0.07 0.14 0.12 -1.32 -1.26 -4.99 115.64 113.27 2afc s THR 61 Ca 0.38 -0.55 -0.35 0.00 -1.21 0.00 0.00 61.69 59.97 2afc s THR 61 Cb -0.05 -1.14 -0.15 0.00 -1.51 0.00 0.00 72.50 69.66 2afc s THR 61 CO 0.00 -0.30 1.51 0.18 -2.21 0.00 0.00 174.62 173.80 2afc n LEU 62 N -0.13 2.69 0.00 9.08 4.77 -1.26 -1.31 117.00 130.84 2afc n LEU 62 Ca -0.16 1.09 0.00 0.00 -0.03 0.00 0.00 56.01 56.91 2afc n LEU 62 Cb 0.63 -1.36 0.00 0.00 -2.33 0.00 0.00 43.42 40.36 2afc n LEU 62 CO 0.17 -0.50 0.00 0.61 -1.33 0.00 0.00 177.39 176.34 2afc n GLY 63 N 3.15 2.89 3.86 -0.72 0.00 0.51 -4.95 105.19 109.93 2afc n GLY 63 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 2afc n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2afc s ALA 64 N -2.78 2.94 -0.02 4.61 0.00 -0.43 -3.20 121.76 122.88 2afc s ALA 64 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 51.96 51.89 2afc s ALA 64 Cb 0.00 -3.10 0.02 0.00 0.00 0.00 0.00 23.12 20.04 2afc s ALA 64 CO 0.00 -0.90 0.01 0.08 0.00 0.00 0.00 175.76 174.95 2afc s VAL 65 N -3.16 0.06 -0.08 0.00 1.01 -1.26 -2.47 120.40 114.50 2afc s VAL 65 Ca 0.56 0.11 0.01 0.00 0.00 0.00 0.00 61.98 62.66 2afc s VAL 65 Cb -0.12 -0.16 -0.03 0.00 0.00 0.00 0.00 36.38 36.08 2afc s VAL 65 CO 0.54 0.10 -0.09 -1.58 0.00 0.00 0.00 175.10 174.07 2afc s GLN 66 N 0.83 2.89 -0.09 2.72 0.74 -0.56 -4.98 119.66 121.21 2afc s GLN 66 Ca -0.08 -0.60 0.01 0.00 0.05 0.00 0.00 55.36 54.75 2afc s GLN 66 Cb -0.11 -2.58 -0.02 0.00 1.10 0.00 0.00 33.01 31.40 2afc s GLN 66 CO -0.02 0.54 -0.12 -0.06 -0.55 0.00 0.00 175.29 175.09 2afc s PHE 67 N -0.50 2.80 -0.09 1.67 0.40 -1.26 -0.76 117.98 120.24 2afc s PHE 67 Ca 0.07 -0.30 -0.01 0.00 -0.60 0.00 0.00 56.93 56.09 2afc s PHE 67 Cb -0.12 -1.74 0.03 0.00 0.51 0.00 0.00 43.02 41.70 2afc s PHE 67 CO 0.02 0.06 -0.05 0.08 0.70 0.00 0.00 175.22 176.03 2afc s VAL 68 N -0.30 0.80 -0.84 -0.44 1.01 -0.52 -4.98 120.40 115.13 2afc s VAL 68 Ca 0.03 -0.16 -0.23 0.00 0.00 0.00 0.00 61.98 61.61 2afc s VAL 68 Cb -0.13 -0.86 0.06 0.00 0.00 0.00 0.00 36.38 35.45 2afc s VAL 68 CO 0.03 0.33 1.24 0.21 0.00 0.00 0.00 175.10 176.91 2afc s ASN 69 N 1.71 6.34 0.19 3.32 3.04 -1.26 -0.68 114.94 127.60 2afc s ASN 69 Ca 0.03 -1.13 0.19 0.00 0.04 0.00 0.00 52.86 52.00 2afc s ASN 69 Cb -0.13 -2.51 -0.00 0.00 -1.54 0.00 0.00 41.25 37.07 2afc s ASN 69 CO -0.06 -1.53 1.09 -0.37 -3.04 0.00 0.00 177.10 173.18 2afc h VAL 70 N 6.23 0.31 -3.15 -5.21 -1.51 -1.85 -3.49 116.25 107.57 2afc h VAL 70 Ca -0.06 -1.54 0.04 0.00 -1.23 0.00 0.00 66.70 63.91 2afc h VAL 70 Cb 1.04 1.89 -0.06 0.00 -2.13 0.00 0.00 31.29 32.02 2afc h VAL 70 CO 1.28 0.18 0.15 -0.70 -1.23 0.00 0.00 177.57 177.24 2afc s GLU 71 N -3.13 1.74 -0.21 5.19 2.12 -1.13 -5.04 118.70 118.24 2afc s GLU 71 Ca 0.00 -1.06 -0.35 0.00 0.36 0.00 0.00 54.97 53.93 2afc s GLU 71 Cb 0.08 0.58 -0.11 0.00 0.26 0.00 0.00 34.13 34.94 2afc s GLU 71 CO 0.78 -0.78 2.00 -1.71 -0.54 0.00 0.00 175.26 175.01 2afc n ASN 72 N -0.46 2.88 -2.15 -1.70 5.15 -1.26 -0.53 115.26 117.19 2afc n ASN 72 Ca -0.03 0.72 -0.18 0.00 -0.60 0.00 0.00 54.58 54.48 2afc n ASN 72 Cb 0.60 -1.33 0.00 0.00 -0.53 0.00 0.00 39.78 38.52 2afc n ASN 72 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2afc n LYS 73 N 7.25 -2.19 -3.71 1.20 5.02 -1.26 -4.99 118.16 119.47 2afc n LYS 73 Ca 0.30 0.82 -0.17 0.00 -2.02 0.00 0.00 58.31 57.24 2afc n LYS 73 Cb 0.27 -5.31 -0.17 0.00 -0.02 0.00 0.00 35.03 29.80 2afc n LYS 73 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 2afc s LEU 74 N -5.19 0.51 0.01 -0.35 2.96 0.31 -1.64 118.68 115.28 2afc s LEU 74 Ca 0.07 0.12 0.04 0.00 -0.22 0.00 0.00 54.13 54.15 2afc s LEU 74 Cb -0.03 -0.01 -0.01 0.00 0.50 0.00 0.00 46.19 46.63 2afc s LEU 74 CO 0.09 -0.20 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.48 2afc s TYR 75 N 1.69 1.19 -0.13 5.38 1.51 -0.20 -2.42 117.35 124.37 2afc s TYR 75 Ca -0.02 -0.27 -0.07 0.00 -1.01 0.00 0.00 57.07 55.70 2afc s TYR 75 Cb -0.12 -0.74 -0.04 0.00 -0.11 0.00 0.00 41.96 40.94 2afc s TYR 75 CO -0.04 0.00 0.13 0.08 -1.11 0.00 0.00 175.55 174.61 2afc s VAL 76 N -0.51 5.41 -0.38 0.71 1.01 0.14 -0.03 120.40 126.74 2afc s VAL 76 Ca 0.04 0.17 -0.02 0.00 0.00 0.00 0.00 61.98 62.17 2afc s VAL 76 Cb -0.06 -3.37 0.10 0.00 0.00 0.00 0.00 36.38 33.04 2afc s VAL 76 CO 0.00 0.58 0.16 0.00 0.00 0.00 0.00 175.10 175.84 2afc s ALA 77 N -0.74 3.08 0.89 5.51 0.00 0.48 -1.44 121.76 129.53 2afc s ALA 77 Ca 0.13 -2.39 -0.14 0.00 0.00 0.00 0.00 51.96 49.56 2afc s ALA 77 Cb -0.12 -2.30 0.14 0.00 0.00 0.00 0.00 23.12 20.84 2afc s ALA 77 CO 0.03 -1.70 1.21 -0.80 0.00 0.00 0.00 175.76 174.51 2afc s ASN 78 N 1.65 3.74 -0.42 0.00 0.01 0.06 -2.62 114.94 117.35 2afc s ASN 78 Ca 0.06 0.64 0.05 0.00 -0.71 0.00 0.00 52.86 52.90 2afc s ASN 78 Cb -0.22 -0.99 0.17 0.00 0.41 0.00 0.00 41.25 40.62 2afc s ASN 78 CO -0.04 -2.37 0.50 -0.63 -1.51 0.00 0.00 177.10 173.05 2afc s ILE 80 N -3.60 -0.50 -0.12 0.60 -1.09 -1.03 -1.50 121.20 113.95 2afc s ILE 80 Ca 0.66 -1.12 0.15 0.00 -2.23 0.00 0.00 60.65 58.12 2afc s ILE 80 Cb -0.09 -0.48 0.25 0.00 -1.58 0.00 0.00 42.46 40.55 2afc s ILE 80 CO 0.51 -0.45 1.14 0.61 -1.23 0.00 0.00 174.94 175.52 2afc n GLY 81 N 3.69 4.42 3.04 6.18 0.00 -1.15 -0.36 105.19 121.02 2afc n GLY 81 Ca 0.16 -0.90 -0.24 0.00 0.00 0.00 0.00 46.02 45.04 2afc n GLY 81 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2afc s GLN 82 N -2.47 1.63 -0.46 1.61 0.74 -1.11 -0.84 119.66 118.75 2afc s GLN 82 Ca 0.26 -0.44 -0.14 0.00 0.05 0.00 0.00 55.36 55.10 2afc s GLN 82 Cb 0.23 -1.37 0.08 0.00 1.10 0.00 0.00 33.01 33.04 2afc s GLN 82 CO 0.03 0.08 0.37 -1.58 -0.55 0.00 0.00 175.29 173.64 2afc s HIS 83 N 0.48 3.27 0.00 1.67 5.65 0.19 -1.40 115.29 125.15 2afc s HIS 83 Ca -0.11 -1.12 0.00 0.00 0.25 0.00 0.00 55.06 54.08 2afc s HIS 83 Cb -0.14 -3.17 0.00 0.00 -1.18 0.00 0.00 32.58 28.09 2afc s HIS 83 CO 0.03 -0.83 0.00 0.41 -0.65 0.00 0.00 174.74 173.70 2afc n GLY 84 N 5.13 0.19 0.00 1.59 0.00 -1.26 -4.50 105.19 106.33 2afc n GLY 84 Ca -0.12 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.00 2afc n GLY 84 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2afc n ILE 85 N 0.00 0.00 -0.51 -0.61 -0.00 -1.26 -4.62 119.36 112.36 2afc n ILE 85 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.75 2afc n ILE 85 Cb 0.00 0.36 0.00 0.00 -0.00 0.00 0.00 39.64 40.00 2afc n ILE 85 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2afc n TYR 86 N 0.00 0.00 -3.70 1.39 0.18 -1.26 -4.65 117.16 109.12 2afc n TYR 86 Ca 0.00 0.00 -0.25 0.00 1.88 0.00 0.00 57.90 59.53 2afc n TYR 86 Cb 0.00 0.00 -0.17 0.00 -0.38 0.00 0.00 39.34 38.79 2afc n TYR 86 CO 0.00 0.00 0.00 0.15 -2.08 0.00 0.00 176.86 174.93 2afc s LYS 87 N 0.83 0.34 1.13 -3.48 3.01 -1.26 -3.58 119.74 116.73 2afc s LYS 87 Ca 0.00 -0.05 -0.18 0.00 -1.01 0.00 0.00 55.97 54.73 2afc s LYS 87 Cb 0.00 -1.46 0.13 0.00 -1.01 0.00 0.00 37.83 35.49 2afc s LYS 87 CO 0.00 -0.51 0.10 -0.40 0.51 0.00 0.00 175.35 175.05 2afc n ASP 88 N 5.18 -2.32 -0.77 2.83 3.85 -1.22 -4.76 116.55 119.35 2afc n ASP 88 Ca -0.07 -0.15 0.00 0.00 -0.71 0.00 0.00 54.79 53.87 2afc n ASP 88 Cb 0.49 -0.98 0.00 0.00 -1.35 0.00 0.00 41.12 39.28 2afc n ASP 88 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.20 174.65 2afc n SER 89 N -2.06 0.53 -0.38 -1.12 3.41 -1.26 -1.96 113.62 110.78 2afc n SER 89 Ca 0.01 -0.51 0.00 0.00 -0.26 0.00 0.00 58.87 58.11 2afc n SER 89 Cb 0.62 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 64.44 2afc n SER 89 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2afc n LYS 90 N 0.64 0.00 -2.54 4.33 5.02 -1.26 -5.01 118.16 119.34 2afc n LYS 90 Ca 0.00 -0.67 -0.16 0.00 -2.02 0.00 0.00 58.31 55.47 2afc n LYS 90 Cb 0.10 -0.38 0.01 0.00 -0.02 0.00 0.00 35.03 34.74 2afc n LYS 90 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2afc n GLY 91 N 0.00 -0.23 3.48 0.72 0.00 -0.83 -5.00 105.19 103.34 2afc n GLY 91 Ca 0.00 -0.19 -0.42 0.00 0.00 0.00 0.00 46.02 45.41 2afc n GLY 91 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2afc s LEU 92 N -4.66 4.93 0.66 0.99 2.96 -1.26 -4.98 118.68 117.33 2afc s LEU 92 Ca 0.11 -0.75 -0.17 0.00 -0.22 0.00 0.00 54.13 53.10 2afc s LEU 92 Cb -0.05 -2.18 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 2afc s LEU 92 CO 0.13 -0.41 0.76 -2.65 -1.32 0.00 0.00 176.35 172.86 2afc n PRO 93 N 5.19 0.55 0.31 0.98 -0.02 -1.26 -3.39 135.00 137.36 2afc n PRO 93 Ca -0.11 0.23 0.19 0.00 -2.02 0.00 0.00 63.50 61.80 2afc n PRO 93 Cb 0.48 -2.00 0.99 0.00 -0.02 0.00 0.00 33.50 32.95 2afc n PRO 93 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2afc h PRO 94 N 0.00 0.00 -6.86 0.52 0.13 -1.60 -3.44 132.00 120.75 2afc h PRO 94 Ca -0.47 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.13 2afc h PRO 94 Cb 1.36 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.57 2afc h PRO 94 CO 0.47 0.02 0.74 -1.50 -0.23 0.00 0.00 178.00 177.49 2afc s ILE 95 N -4.06 2.42 -0.35 -3.56 -1.16 -0.82 0.53 121.20 114.20 2afc s ILE 95 Ca -0.03 0.39 0.03 0.00 -0.51 0.00 0.00 60.65 60.54 2afc s ILE 95 Cb 0.12 -3.25 0.10 0.00 0.61 0.00 0.00 42.46 40.04 2afc s ILE 95 CO 0.48 0.08 0.07 -0.13 -2.81 0.00 0.00 174.94 172.63 2afc s ARG 96 N -1.42 1.42 0.34 3.50 1.81 -0.02 -4.85 118.95 119.72 2afc s ARG 96 Ca 0.54 -1.83 0.03 0.00 -1.72 0.00 0.00 55.73 52.75 2afc s ARG 96 Cb -0.43 -3.06 0.62 0.00 -0.45 0.00 0.00 34.95 31.62 2afc s ARG 96 CO 0.53 -0.96 1.95 1.88 -0.68 0.00 0.00 175.30 178.02 2afc h TYR 97 N 7.59 0.70 0.00 -0.53 0.05 -1.94 -0.48 116.97 122.35 2afc h TYR 97 Ca -0.05 -0.02 -0.08 0.00 0.05 0.00 0.00 58.73 58.62 2afc h TYR 97 Cb 1.01 -0.22 -0.01 0.00 1.01 0.00 0.00 36.73 38.52 2afc h TYR 97 CO 0.45 0.53 -0.40 -0.44 -1.05 0.00 0.00 178.16 177.25 2afc h ASP 98 N 0.70 0.00 -0.01 3.88 3.32 -1.96 -1.90 116.42 120.45 2afc h ASP 98 Ca 0.17 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.07 2afc h ASP 98 Cb 0.10 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.66 2afc h ASP 98 CO -0.02 0.40 -0.59 0.00 -1.72 0.00 0.00 179.24 177.31 2afc h ALA 99 N 1.60 0.09 -0.53 3.45 0.00 -1.65 -2.51 119.26 119.71 2afc h ALA 99 Ca -0.00 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.33 2afc h ALA 99 Cb 0.84 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.63 2afc h ALA 99 CO 0.05 0.36 0.27 0.28 0.00 0.00 0.00 179.25 180.21 2afc h VAL 100 N -0.07 1.17 -0.10 0.00 2.07 -1.00 0.65 116.25 118.97 2afc h VAL 100 Ca -0.07 -0.46 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 2afc h VAL 100 Cb 1.30 0.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.54 2afc h VAL 100 CO 0.12 0.20 0.06 0.03 0.02 0.00 0.00 177.57 177.99 2afc h ARG 101 N 0.74 0.14 0.08 1.57 3.08 -1.32 0.14 114.38 118.81 2afc h ARG 101 Ca 0.19 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 2afc h ARG 101 Cb 0.05 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.08 2afc h ARG 101 CO -0.03 0.14 -0.04 1.96 -1.07 0.00 0.00 179.97 180.93 2afc h GLN 102 N 0.10 -0.10 -0.34 0.04 4.20 -0.93 0.89 115.11 118.97 2afc h GLN 102 Ca 0.04 0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.83 2afc h GLN 102 Cb 0.03 0.02 -0.08 0.00 0.30 0.00 0.00 27.48 27.75 2afc h GLN 102 CO -0.01 -0.02 -0.32 0.00 -0.67 0.00 0.00 178.83 177.81 2afc h LEU 104 N -0.28 1.08 -1.40 0.00 3.38 -0.59 0.38 115.31 117.87 2afc h LEU 104 Ca 0.16 -0.21 0.10 0.00 0.09 0.00 0.00 57.88 58.02 2afc h LEU 104 Cb 0.53 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 2afc h LEU 104 CO -0.50 1.00 0.50 0.50 0.09 0.00 0.00 178.44 180.03 2afc h LYS 105 N 1.10 0.65 0.00 1.13 3.64 0.14 0.58 116.57 123.82 2afc h LYS 105 Ca 0.24 -0.04 -0.19 0.00 -1.27 0.00 0.00 60.65 59.39 2afc h LYS 105 Cb 0.30 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 2afc h LYS 105 CO -0.01 0.43 -0.91 1.49 -2.27 0.00 0.00 179.45 178.19 2afc h GLU 106 N 0.67 0.00 -0.27 1.90 4.22 0.18 -3.09 114.58 118.20 2afc h GLU 106 Ca 0.35 0.00 -0.16 0.00 0.08 0.00 0.00 59.36 59.63 2afc h GLU 106 Cb 0.47 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2afc h GLU 106 CO -0.13 0.91 -0.47 0.28 -2.18 0.00 0.00 179.01 177.42 2afc h VAL 107 N 0.00 1.29 -0.24 0.32 2.07 0.12 -2.72 116.25 117.09 2afc h VAL 107 Ca -0.01 -1.66 0.05 0.00 0.82 0.00 0.00 66.70 65.90 2afc h VAL 107 Cb 1.63 1.59 -0.08 0.00 -1.52 0.00 0.00 31.29 32.91 2afc h VAL 107 CO 0.12 0.53 -0.40 0.00 0.02 0.00 0.00 177.57 177.84 2afc h ALA 108 N 0.91 -0.48 -0.03 1.67 0.00 0.13 0.81 119.26 122.26 2afc h ALA 108 Ca 0.03 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2afc h ALA 108 Cb 1.02 0.80 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 2afc h ALA 108 CO 0.10 -0.88 -0.22 -0.07 0.00 0.00 0.00 179.25 178.19 2afc h LEU 109 N -0.41 0.04 -0.30 0.00 3.38 -1.55 -2.14 115.31 114.33 2afc h LEU 109 Ca 0.11 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.00 2afc h LEU 109 Cb 0.60 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2afc h LEU 109 CO -0.46 0.26 -0.07 0.15 0.09 0.00 0.00 178.44 178.40 2afc h PHE 110 N 0.04 0.64 -0.68 1.13 3.04 -0.83 -2.02 116.94 118.27 2afc h PHE 110 Ca 0.01 -0.14 -0.07 0.00 3.98 0.00 0.00 57.97 61.74 2afc h PHE 110 Cb 0.41 -0.16 -0.03 0.00 2.56 0.00 0.00 35.95 38.73 2afc h PHE 110 CO 0.00 0.76 0.14 1.79 -2.02 0.00 0.00 178.31 178.99 2afc h THR 111 N 0.34 1.26 -0.36 4.41 1.35 -0.53 -0.98 112.91 118.40 2afc h THR 111 Ca 0.07 -0.99 -0.04 0.00 -0.55 0.00 0.00 66.41 64.91 2afc h THR 111 Cb 0.56 0.59 -0.01 0.00 -1.73 0.00 0.00 68.15 67.55 2afc h THR 111 CO 0.03 0.38 0.08 0.40 -0.25 0.00 0.00 175.52 176.15 2afc h ILE 112 N 1.03 1.23 -0.10 6.82 1.08 -1.37 0.42 117.51 126.62 2afc h ILE 112 Ca 0.21 -0.79 -0.04 0.00 -0.39 0.00 0.00 64.86 63.85 2afc h ILE 112 Cb 0.40 1.05 -0.01 0.00 -3.07 0.00 0.00 36.82 35.19 2afc h ILE 112 CO 0.01 0.27 -0.13 0.00 -0.69 0.00 0.00 178.15 177.61 2afc h ALA 113 N 0.92 1.60 -0.57 1.87 0.00 -1.09 -2.47 119.26 119.53 2afc h ALA 113 Ca 0.11 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2afc h ALA 113 Cb 0.32 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2afc h ALA 113 CO 0.00 0.29 0.00 0.72 0.00 0.00 0.00 179.25 180.26 2afc n HIS 114 N -4.31 0.93 -2.27 0.00 8.25 -0.40 -4.93 115.22 112.49 2afc n HIS 114 Ca -0.01 -0.55 -0.09 0.00 -0.26 0.00 0.00 57.72 56.81 2afc n HIS 114 Cb 0.24 -0.08 -0.01 0.00 1.12 0.00 0.00 29.99 31.26 2afc n HIS 114 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2afc n LYS 115 N 1.05 -2.26 -1.90 -0.41 4.01 0.12 -4.70 118.16 114.08 2afc n LYS 115 Ca 0.21 0.43 -0.29 0.00 -0.51 0.00 0.00 58.31 58.15 2afc n LYS 115 Cb 0.64 -4.94 0.20 0.00 -0.51 0.00 0.00 35.03 30.42 2afc n LYS 115 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2afc n ALA 116 N -1.95 -1.42 -2.58 7.82 0.00 0.31 -4.34 120.51 118.35 2afc n ALA 116 Ca -0.10 -1.71 -0.22 0.00 0.00 0.00 0.00 53.44 51.41 2afc n ALA 116 Cb 0.53 -0.07 -0.14 0.00 0.00 0.00 0.00 19.45 19.78 2afc n ALA 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2afc s SER 117 N -5.74 1.84 -0.14 0.00 0.15 0.13 -4.77 113.70 105.18 2afc s SER 117 Ca 0.74 -0.40 -0.12 0.00 0.70 0.00 0.00 55.95 56.86 2afc s SER 117 Cb -0.02 -0.16 -0.05 0.00 -1.71 0.00 0.00 66.02 64.09 2afc s SER 117 CO 0.51 0.11 0.26 -0.69 1.20 0.00 0.00 173.24 174.63 2afc s VAL 118 N -0.67 5.32 0.02 4.45 1.01 -0.18 0.50 120.40 130.86 2afc s VAL 118 Ca 0.04 0.47 0.02 0.00 0.00 0.00 0.00 61.98 62.51 2afc s VAL 118 Cb -0.07 -3.58 -0.01 0.00 0.00 0.00 0.00 36.38 32.72 2afc s VAL 118 CO 0.01 0.46 -0.06 -1.00 0.00 0.00 0.00 175.10 174.51 2afc s HIS 119 N -0.01 0.55 0.12 5.22 3.76 -0.23 -1.34 115.29 123.36 2afc s HIS 119 Ca 0.16 -0.30 0.00 0.00 -0.15 0.00 0.00 55.06 54.77 2afc s HIS 119 Cb -0.13 -0.34 -0.00 0.00 1.11 0.00 0.00 32.58 33.22 2afc s HIS 119 CO 0.04 -0.05 0.00 -0.35 -0.85 0.00 0.00 174.74 173.53 2afc n PRO 121 N 2.18 1.64 -1.21 8.40 -0.04 -1.26 -2.19 135.00 142.53 2afc n PRO 121 Ca -0.18 -0.89 -0.41 0.00 -0.04 0.00 0.00 63.50 61.98 2afc n PRO 121 Cb 0.56 0.26 -0.04 0.00 -0.04 0.00 0.00 33.50 34.24 2afc n PRO 121 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2afc n ARG 122 N -0.30 1.82 -1.68 0.54 1.74 -1.25 -4.65 116.66 112.88 2afc n ARG 122 Ca -0.05 -1.94 -0.44 0.00 -0.77 0.00 0.00 57.85 54.66 2afc n ARG 122 Cb 0.16 -2.93 -0.02 0.00 -1.02 0.00 0.00 32.46 28.65 2afc n ARG 122 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55 2afc n ILE 123 N 5.63 1.33 0.00 0.55 -5.35 -1.26 -2.64 119.36 117.62 2afc n ILE 123 Ca 0.50 -0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.65 2afc n ILE 123 Cb 0.37 -1.53 0.00 0.00 -1.74 0.00 0.00 39.64 36.74 2afc n ILE 123 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2afc n GLY 124 N 1.67 3.04 3.74 3.28 0.00 -1.26 -4.93 105.19 110.73 2afc n GLY 124 Ca 0.09 -0.84 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 2afc n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2afc n GLY 126 N 2.95 -0.35 3.51 0.00 0.00 -1.26 -4.89 105.19 105.16 2afc n GLY 126 Ca 0.11 0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.27 2afc n GLY 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2afc n ALA 128 N -0.41 0.00 0.00 4.61 0.00 -1.26 -4.30 120.51 119.14 2afc n ALA 128 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2afc n ALA 128 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2afc n ALA 128 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2afc n GLY 129 N 0.00 2.54 3.52 0.00 0.00 -1.26 -1.94 105.19 108.05 2afc n GLY 129 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2afc n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2afc n GLY 130 N -2.00 -1.31 2.86 -0.02 0.00 -0.54 -4.96 105.19 99.22 2afc n GLY 130 Ca 0.00 -0.71 -0.16 0.00 0.00 0.00 0.00 46.02 45.15 2afc n GLY 130 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2afc s LYS 131 N -3.98 0.05 0.41 1.61 2.20 -1.26 -4.41 119.74 114.35 2afc s LYS 131 Ca 0.62 0.51 0.17 0.00 -0.36 0.00 0.00 55.97 56.90 2afc s LYS 131 Cb -0.23 -0.25 1.06 0.00 -1.51 0.00 0.00 37.83 36.90 2afc s LYS 131 CO 0.63 -0.27 1.85 2.35 -0.36 0.00 0.00 175.35 179.55 2afc h TRP 132 N 8.06 0.57 -0.64 4.03 2.91 -1.96 -2.04 115.95 126.89 2afc h TRP 132 Ca -0.21 0.02 0.13 0.00 1.13 0.00 0.00 58.89 59.95 2afc h TRP 132 Cb 1.12 -0.17 -0.10 0.00 -0.51 0.00 0.00 29.16 29.50 2afc h TRP 132 CO 0.43 0.15 0.11 0.93 -1.03 0.00 0.00 178.44 179.03 2afc h GLU 133 N 0.43 0.23 -1.01 2.65 3.07 -2.02 0.31 114.58 118.24 2afc h GLU 133 Ca 0.47 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.32 2afc h GLU 133 Cb 1.14 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.00 2afc h GLU 133 CO -0.19 0.15 0.00 1.28 -1.40 0.00 0.00 179.01 178.85 2afc n LEU 134 N -5.17 1.86 0.00 1.33 4.32 -0.77 -3.78 117.00 114.79 2afc n LEU 134 Ca 0.10 -0.93 0.00 0.00 -0.02 0.00 0.00 56.01 55.16 2afc n LEU 134 Cb 0.36 -0.45 0.00 0.00 -1.62 0.00 0.00 43.42 41.71 2afc n LEU 134 CO 0.15 0.34 0.00 1.21 -1.22 0.00 0.00 177.39 177.87 2afc n GLU 136 N 0.32 0.00 -0.26 3.23 2.13 0.11 -2.25 120.64 123.92 2afc n GLU 136 Ca 0.00 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.76 2afc n GLU 136 Cb 0.34 0.00 0.07 0.00 0.27 0.00 0.00 31.44 32.12 2afc n GLU 136 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 2afc h GLN 137 N 0.00 1.13 0.26 5.31 1.08 -1.79 -2.02 115.11 119.09 2afc h GLN 137 Ca 0.00 -0.25 -0.01 0.00 -1.45 0.00 0.00 58.65 56.94 2afc h GLN 137 Cb 0.00 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.27 2afc h GLN 137 CO 0.00 0.97 -0.12 0.82 -0.95 0.00 0.00 178.83 179.55 2afc h ILE 138 N 1.08 0.76 -0.82 2.54 1.08 -1.80 0.27 117.51 120.63 2afc h ILE 138 Ca 0.23 -0.08 0.14 0.00 -0.39 0.00 0.00 64.86 64.76 2afc h ILE 138 Cb 0.32 0.81 -0.09 0.00 -3.07 0.00 0.00 36.82 34.79 2afc h ILE 138 CO -0.00 0.02 0.40 0.40 -0.69 0.00 0.00 178.15 178.28 2afc h ILE 139 N -0.39 0.73 0.88 -0.67 1.08 -1.83 -0.13 117.51 117.18 2afc h ILE 139 Ca -0.04 -0.20 -0.04 0.00 -0.39 0.00 0.00 64.86 64.19 2afc h ILE 139 Cb 0.29 0.09 0.01 0.00 -3.07 0.00 0.00 36.82 34.14 2afc h ILE 139 CO 0.06 0.11 -0.42 0.50 -0.69 0.00 0.00 178.15 177.71 2afc h LYS 140 N 0.59 -1.13 0.00 2.37 3.64 -0.93 0.25 116.57 121.36 2afc h LYS 140 Ca 0.44 0.08 -0.04 0.00 -1.27 0.00 0.00 60.65 59.86 2afc h LYS 140 Cb 0.61 0.26 -0.01 0.00 -0.41 0.00 0.00 32.23 32.68 2afc h LYS 140 CO -0.36 -0.75 -0.20 1.49 -2.27 0.00 0.00 179.45 177.36 2afc h GLU 141 N -1.19 0.00 0.00 1.90 4.81 -0.50 -1.54 114.58 118.05 2afc h GLU 141 Ca -0.12 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 58.90 2afc h GLU 141 Cb 0.90 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.24 2afc h GLU 141 CO 0.20 0.20 -2.14 0.39 -0.73 0.00 0.00 179.01 176.93 2afc n GLU 142 N -4.09 0.67 0.00 1.92 -0.58 -0.10 -4.54 120.64 113.92 2afc n GLU 142 Ca -0.02 -0.06 -0.02 0.00 -0.42 0.00 0.00 57.16 56.64 2afc n GLU 142 Cb 0.28 -1.55 -0.01 0.00 -0.57 0.00 0.00 31.44 29.59 2afc n GLU 142 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2afc n LEU 143 N -2.58 0.48 0.22 -4.62 4.77 0.86 -4.61 117.00 111.53 2afc n LEU 143 Ca -0.20 0.07 0.06 0.00 -0.03 0.00 0.00 56.01 55.91 2afc n LEU 143 Cb 0.90 -0.16 0.53 0.00 -2.33 0.00 0.00 43.42 42.36 2afc n LEU 143 CO 0.44 -0.19 0.96 0.40 -1.33 0.00 0.00 177.39 177.67 2afc h ILE 144 N -0.09 1.10 0.00 -0.08 1.08 -1.24 -0.96 117.51 117.32 2afc h ILE 144 Ca -0.04 -0.44 -0.05 0.00 -0.39 0.00 0.00 64.86 63.94 2afc h ILE 144 Cb 0.76 1.21 -0.01 0.00 -3.07 0.00 0.00 36.82 35.71 2afc h ILE 144 CO -0.03 0.13 -0.25 0.74 -0.69 0.00 0.00 178.15 178.06 2afc h THR 145 N 0.03 1.10 -0.56 -0.27 2.02 -1.52 -0.19 112.91 113.51 2afc h THR 145 Ca 0.01 -0.86 0.00 0.00 0.77 0.00 0.00 66.41 66.32 2afc h THR 145 Cb 0.22 1.48 0.00 0.00 -1.74 0.00 0.00 68.15 68.11 2afc h THR 145 CO 0.02 0.24 0.00 0.29 0.37 0.00 0.00 175.52 176.44 2afc n LYS 146 N -4.14 3.99 -3.79 6.66 5.02 -0.79 -4.92 118.16 120.18 2afc n LYS 146 Ca -0.02 -2.73 -0.25 0.00 -2.02 0.00 0.00 58.31 53.28 2afc n LYS 146 Cb 0.31 -2.01 0.03 0.00 -0.02 0.00 0.00 35.03 33.34 2afc n LYS 146 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2afc n GLU 147 N 0.82 -5.29 -3.52 1.97 1.02 -0.08 -4.99 120.64 110.55 2afc n GLU 147 Ca 0.24 0.62 -0.37 0.00 -0.02 0.00 0.00 57.16 57.63 2afc n GLU 147 Cb 0.96 -5.34 -0.06 0.00 -0.02 0.00 0.00 31.44 26.98 2afc n GLU 147 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2afc s ILE 148 N -3.50 5.21 0.12 -3.67 1.01 -0.43 -5.00 121.20 114.93 2afc s ILE 148 Ca 0.32 0.68 -0.31 0.00 0.00 0.00 0.00 60.65 61.34 2afc s ILE 148 Cb -0.16 -3.67 -0.09 0.00 0.01 0.00 0.00 42.46 38.56 2afc s ILE 148 CO 0.82 0.47 1.52 0.00 0.00 0.00 0.00 174.94 177.75 2afc s ALA 149 N -0.23 3.69 -0.09 9.38 0.00 -1.26 -4.35 121.76 128.90 2afc s ALA 149 Ca 0.20 1.23 0.01 0.00 0.00 0.00 0.00 51.96 53.40 2afc s ALA 149 Cb -0.15 -3.61 0.02 0.00 0.00 0.00 0.00 23.12 19.39 2afc s ALA 149 CO 0.08 -0.80 -0.09 0.08 0.00 0.00 0.00 175.76 175.04 2afc s VAL 150 N 1.51 1.00 -0.19 0.00 1.01 -1.26 -1.01 120.40 121.46 2afc s VAL 150 Ca 0.69 -0.33 -0.00 0.00 0.00 0.00 0.00 61.98 62.34 2afc s VAL 150 Cb -0.40 -0.98 0.05 0.00 0.00 0.00 0.00 36.38 35.05 2afc s VAL 150 CO 0.31 0.35 -0.05 -0.89 0.00 0.00 0.00 175.10 174.81 2afc s THR 151 N 1.27 1.21 -0.00 3.92 2.01 -0.45 -1.21 115.64 122.39 2afc s THR 151 Ca -0.04 -0.79 -0.20 0.00 0.31 0.00 0.00 61.69 60.98 2afc s THR 151 Cb -0.14 -1.42 -0.05 0.00 0.01 0.00 0.00 72.50 70.90 2afc s THR 151 CO -0.03 0.06 0.57 -0.69 -0.69 0.00 0.00 174.62 173.85 2afc s VAL 152 N 1.57 4.91 -0.31 3.82 1.01 -0.38 -4.35 120.40 126.67 2afc s VAL 152 Ca -0.01 1.20 -0.04 0.00 0.00 0.00 0.00 61.98 63.13 2afc s VAL 152 Cb -0.16 -3.91 0.04 0.00 0.00 0.00 0.00 36.38 32.35 2afc s VAL 152 CO -0.07 0.44 0.04 -0.31 0.00 0.00 0.00 175.10 175.19 2afc s TYR 153 N -0.29 3.24 0.00 5.22 1.51 -1.26 -1.66 117.35 124.11 2afc s TYR 153 Ca 0.30 -1.62 0.00 0.00 -1.01 0.00 0.00 57.07 54.74 2afc s TYR 153 Cb -0.18 -2.18 0.00 0.00 -0.11 0.00 0.00 41.96 39.49 2afc s TYR 153 CO 0.17 -0.75 0.00 -0.40 -1.11 0.00 0.00 175.55 173.45 2afc n ASP 154 N 4.71 1.62 0.00 2.29 3.85 -1.09 -3.91 116.55 124.03 2afc n ASP 154 Ca -0.13 0.00 0.00 0.00 -0.71 0.00 0.00 54.79 53.95 2afc n ASP 154 Cb 0.44 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.21 2afc n ASP 154 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.20 176.08