#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2af2 n THR 2 N 0.00 2.63 -3.55 0.00 -2.24 -1.26 -4.47 114.28 105.39 2af2 n THR 2 Ca 0.00 -1.40 -0.15 0.00 -2.27 0.00 0.00 64.05 60.22 2af2 n THR 2 Cb 0.00 -1.58 -0.06 0.00 -2.10 0.00 0.00 70.33 66.59 2af2 n THR 2 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2af2 s LYS 3 N -0.55 0.90 0.16 -0.78 1.02 -1.26 -4.13 119.74 115.10 2af2 s LYS 3 Ca 0.32 0.33 -0.19 0.00 0.02 0.00 0.00 55.97 56.44 2af2 s LYS 3 Cb 0.19 0.43 0.05 0.00 -0.52 0.00 0.00 37.83 37.98 2af2 s LYS 3 CO -0.03 -0.26 0.51 0.00 -0.92 0.00 0.00 175.35 174.65 2af2 s ALA 4 N -0.94 -1.19 -0.03 5.17 0.00 -0.61 -1.15 121.76 123.01 2af2 s ALA 4 Ca -0.07 0.11 -0.25 0.00 0.00 0.00 0.00 51.96 51.76 2af2 s ALA 4 Cb -0.01 0.81 0.05 0.00 0.00 0.00 0.00 23.12 23.97 2af2 s ALA 4 CO 0.06 -0.74 0.54 0.08 0.00 0.00 0.00 175.76 175.71 2af2 s VAL 5 N -3.80 0.02 -0.36 0.00 1.01 -0.19 -0.55 120.40 116.53 2af2 s VAL 5 Ca 0.04 -0.18 -0.00 0.00 0.00 0.00 0.00 61.98 61.84 2af2 s VAL 5 Cb -0.00 -0.88 0.12 0.00 0.00 0.00 0.00 36.38 35.63 2af2 s VAL 5 CO -0.10 -0.10 0.18 0.00 0.00 0.00 0.00 175.10 175.09 2af2 s ALA 6 N -1.39 1.39 -1.04 5.51 0.00 -1.20 -2.26 121.76 122.77 2af2 s ALA 6 Ca -0.11 -1.95 -0.23 0.00 0.00 0.00 0.00 51.96 49.67 2af2 s ALA 6 Cb -0.02 -1.67 0.02 0.00 0.00 0.00 0.00 23.12 21.45 2af2 s ALA 6 CO 0.07 -1.94 1.64 0.14 0.00 0.00 0.00 175.76 175.67 2af2 s VAL 7 N 1.10 3.81 -0.02 0.00 -7.23 -1.26 -3.98 120.40 112.81 2af2 s VAL 7 Ca 0.15 -0.84 -0.30 0.00 -1.81 0.00 0.00 61.98 59.18 2af2 s VAL 7 Cb -0.21 -4.80 -0.03 0.00 0.56 0.00 0.00 36.38 31.90 2af2 s VAL 7 CO -0.10 -1.65 1.13 -0.76 -0.31 0.00 0.00 175.10 173.41 2af2 s LEU 8 N 6.49 4.31 0.21 1.32 1.02 0.01 -4.71 118.68 127.33 2af2 s LEU 8 Ca 0.54 1.79 -0.05 0.00 0.02 0.00 0.00 54.13 56.43 2af2 s LEU 8 Cb -0.01 -3.57 -0.03 0.00 0.02 0.00 0.00 46.19 42.61 2af2 s LEU 8 CO -0.04 -0.47 0.25 -0.54 0.02 0.00 0.00 176.35 175.57 2af2 s LYS 9 N 1.65 1.31 0.00 1.70 1.02 -0.41 -0.88 119.74 124.12 2af2 s LYS 9 Ca 0.55 -1.49 0.00 0.00 0.02 0.00 0.00 55.97 55.04 2af2 s LYS 9 Cb -0.24 0.34 0.00 0.00 -0.52 0.00 0.00 37.83 37.41 2af2 s LYS 9 CO 0.24 -0.47 0.00 0.41 -0.92 0.00 0.00 175.35 174.61 2af2 n GLY 10 N -0.30 3.04 2.63 -3.33 0.00 -1.26 -1.10 105.19 104.86 2af2 n GLY 10 Ca 0.00 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.19 2af2 n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2af2 n ASP 11 N 0.00 6.91 0.00 1.61 9.92 -1.26 -4.94 116.55 128.79 2af2 n ASP 11 Ca 0.00 -3.13 0.00 0.00 -0.53 0.00 0.00 54.79 51.13 2af2 n ASP 11 Cb 0.00 -1.41 0.00 0.00 -0.64 0.00 0.00 41.12 39.07 2af2 n ASP 11 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2af2 n GLY 12 N 2.15 0.72 0.11 0.44 0.00 -1.26 -0.55 105.19 106.80 2af2 n GLY 12 Ca 0.54 0.74 0.12 0.00 0.00 0.00 0.00 46.02 47.42 2af2 n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2af2 n PRO 13 N 0.00 0.21 -2.58 1.61 -0.04 -1.26 -4.82 135.00 128.12 2af2 n PRO 13 Ca 0.00 0.30 -0.41 0.00 -0.04 0.00 0.00 63.50 63.35 2af2 n PRO 13 Cb 0.00 -1.81 -0.04 0.00 -0.04 0.00 0.00 33.50 31.61 2af2 n PRO 13 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2af2 s VAL 14 N -3.19 4.00 0.13 0.52 1.01 0.29 -4.69 120.40 118.48 2af2 s VAL 14 Ca 0.08 1.76 -0.22 0.00 0.00 0.00 0.00 61.98 63.59 2af2 s VAL 14 Cb 0.11 -4.12 0.06 0.00 0.00 0.00 0.00 36.38 32.43 2af2 s VAL 14 CO 0.49 0.31 0.56 0.00 0.00 0.00 0.00 175.10 176.46 2af2 s GLN 15 N -0.44 1.21 -0.02 2.72 1.03 -0.71 -4.28 119.66 119.17 2af2 s GLN 15 Ca 0.48 -0.46 0.03 0.00 0.04 0.00 0.00 55.36 55.44 2af2 s GLN 15 Cb -0.28 0.55 -0.03 0.00 0.03 0.00 0.00 33.01 33.28 2af2 s GLN 15 CO 0.34 -0.51 -0.08 0.20 -2.54 0.00 0.00 175.29 172.71 2af2 s GLY 16 N -2.62 1.71 -0.43 2.60 0.00 -0.06 -0.69 107.32 107.83 2af2 s GLY 16 Ca 0.00 -0.98 0.06 0.00 0.00 0.00 0.00 44.72 43.81 2af2 s GLY 16 CO -0.11 -0.81 0.58 -1.50 0.00 0.00 0.00 173.10 171.26 2af2 s ILE 17 N -0.91 -0.73 -0.02 0.90 1.10 0.49 -0.81 121.20 121.22 2af2 s ILE 17 Ca 0.15 -0.76 0.00 0.00 -0.51 0.00 0.00 60.65 59.53 2af2 s ILE 17 Cb -0.11 -0.26 -0.04 0.00 0.15 0.00 0.00 42.46 42.20 2af2 s ILE 17 CO 0.05 -0.24 0.02 0.27 -2.11 0.00 0.00 174.94 172.92 2af2 s ILE 18 N 1.30 4.31 -0.06 2.00 -5.25 -1.26 -0.73 121.20 121.52 2af2 s ILE 18 Ca 0.22 -0.49 0.06 0.00 -0.99 0.00 0.00 60.65 59.45 2af2 s ILE 18 Cb -0.05 -2.91 -0.01 0.00 2.95 0.00 0.00 42.46 42.44 2af2 s ILE 18 CO -0.06 0.42 -0.25 0.20 -1.79 0.00 0.00 174.94 173.46 2af2 s ASN 19 N -1.46 3.12 0.25 4.36 0.01 0.25 -3.25 114.94 118.22 2af2 s ASN 19 Ca 0.19 -0.49 0.12 0.00 -0.71 0.00 0.00 52.86 51.96 2af2 s ASN 19 Cb -0.12 -0.82 -0.05 0.00 0.41 0.00 0.00 41.25 40.68 2af2 s ASN 19 CO 0.09 0.25 -0.21 -0.36 -1.51 0.00 0.00 177.10 175.36 2af2 s PHE 20 N -0.21 2.30 0.01 2.20 0.08 0.29 -2.59 117.98 120.06 2af2 s PHE 20 Ca -0.02 -0.34 -0.01 0.00 0.12 0.00 0.00 56.93 56.68 2af2 s PHE 20 Cb -0.13 -1.05 -0.01 0.00 -0.57 0.00 0.00 43.02 41.26 2af2 s PHE 20 CO 0.03 0.64 0.01 -2.00 -0.10 0.00 0.00 175.22 173.80 2af2 s GLU 21 N -3.20 0.23 0.15 0.44 -6.30 -1.26 -1.57 118.70 107.19 2af2 s GLU 21 Ca 0.27 -0.35 0.00 0.00 -2.50 0.00 0.00 54.97 52.40 2af2 s GLU 21 Cb -0.06 0.09 -0.00 0.00 0.00 0.00 0.00 34.13 34.15 2af2 s GLU 21 CO 0.13 -0.04 0.19 0.94 0.02 0.00 0.00 175.26 176.50 2af2 n GLN 22 N 2.12 0.27 0.00 4.30 7.27 -1.26 -2.46 117.38 127.63 2af2 n GLN 22 Ca -0.19 -1.30 0.00 0.00 0.07 0.00 0.00 57.00 55.57 2af2 n GLN 22 Cb 0.57 1.19 0.00 0.00 2.41 0.00 0.00 30.24 34.41 2af2 n GLN 22 CO 0.00 0.00 0.00 0.36 0.07 0.00 0.00 177.06 177.49 2af2 n LYS 23 N -0.26 2.60 -1.51 3.69 0.00 -1.26 -4.01 118.16 117.40 2af2 n LYS 23 Ca 0.01 0.00 -0.06 0.00 -0.00 0.00 0.00 58.31 58.26 2af2 n LYS 23 Cb 0.26 -0.36 0.02 0.00 -0.00 0.00 0.00 35.03 34.95 2af2 n LYS 23 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2af2 n GLU 24 N -0.20 0.80 0.00 -1.58 4.71 -1.26 -4.92 120.64 118.19 2af2 n GLU 24 Ca 0.00 -0.89 0.10 0.00 -0.01 0.00 0.00 57.16 56.36 2af2 n GLU 24 Cb 0.00 -0.09 0.05 0.00 -1.01 0.00 0.00 31.44 30.39 2af2 n GLU 24 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 2af2 n SER 25 N -2.83 2.39 0.00 1.62 2.88 -1.26 -4.68 113.62 111.74 2af2 n SER 25 Ca 0.05 -1.70 0.00 0.00 -1.33 0.00 0.00 58.87 55.89 2af2 n SER 25 Cb 0.17 0.18 0.00 0.00 -0.75 0.00 0.00 64.21 63.82 2af2 n SER 25 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2af2 n ASN 26 N 0.69 0.00 -2.15 -3.46 4.13 -1.26 -4.46 115.26 108.75 2af2 n ASN 26 Ca 0.11 -0.20 0.00 0.00 1.68 0.00 0.00 54.58 56.16 2af2 n ASN 26 Cb 0.48 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.72 2af2 n ASN 26 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2af2 n GLY 27 N 0.00 -0.18 3.89 7.41 0.00 -1.26 -4.92 105.19 110.13 2af2 n GLY 27 Ca 0.00 -1.75 -0.29 0.00 0.00 0.00 0.00 46.02 43.98 2af2 n GLY 27 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2af2 s PRO 28 N -0.56 3.40 0.03 1.61 0.04 -1.26 -4.72 135.00 133.54 2af2 s PRO 28 Ca 0.00 0.37 -0.00 0.00 0.04 0.00 0.00 61.00 61.40 2af2 s PRO 28 Cb 0.00 -2.23 -0.03 0.00 0.04 0.00 0.00 34.50 32.28 2af2 s PRO 28 CO 0.00 -0.48 -0.03 0.08 0.04 0.00 0.00 177.00 176.62 2af2 s VAL 29 N -2.98 0.14 0.19 -0.36 1.01 0.12 -4.60 120.40 113.91 2af2 s VAL 29 Ca 0.52 -1.16 -0.05 0.00 0.00 0.00 0.00 61.98 61.28 2af2 s VAL 29 Cb -0.11 -0.62 -0.06 0.00 0.00 0.00 0.00 36.38 35.59 2af2 s VAL 29 CO 0.48 -0.64 0.44 -0.54 0.00 0.00 0.00 175.10 174.85 2af2 s LYS 30 N -2.17 3.65 -0.34 2.72 3.01 -1.03 -1.20 119.74 124.39 2af2 s LYS 30 Ca -0.09 -0.02 0.00 0.00 -1.01 0.00 0.00 55.97 54.84 2af2 s LYS 30 Cb -0.05 -2.77 0.11 0.00 -1.01 0.00 0.00 37.83 34.11 2af2 s LYS 30 CO -0.04 0.39 0.13 0.08 0.51 0.00 0.00 175.35 176.42 2af2 s VAL 31 N -1.78 1.05 0.22 3.17 1.01 0.11 -4.17 120.40 120.03 2af2 s VAL 31 Ca 0.43 -1.70 0.09 0.00 0.00 0.00 0.00 61.98 60.79 2af2 s VAL 31 Cb -0.12 -1.78 -0.05 0.00 0.00 0.00 0.00 36.38 34.43 2af2 s VAL 31 CO 0.25 -0.72 -0.16 -1.66 0.00 0.00 0.00 175.10 172.81 2af2 s TRP 32 N 1.30 1.85 0.00 5.22 -2.14 -1.07 -0.45 118.94 123.65 2af2 s TRP 32 Ca 0.12 -0.52 0.00 0.00 2.66 0.00 0.00 56.10 58.36 2af2 s TRP 32 Cb -0.19 -0.84 0.00 0.00 -3.10 0.00 0.00 33.47 29.34 2af2 s TRP 32 CO -0.18 0.45 0.00 0.41 -2.66 0.00 0.00 176.95 174.96 2af2 n GLY 33 N -0.44 0.16 3.24 3.67 0.00 -0.62 -0.58 105.19 110.62 2af2 n GLY 33 Ca -0.07 -2.14 -0.13 0.00 0.00 0.00 0.00 46.02 43.69 2af2 n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2af2 s SER 34 N -4.00 -0.15 -0.08 1.61 1.04 0.10 -0.28 113.70 111.92 2af2 s SER 34 Ca 0.00 -0.04 0.04 0.00 0.48 0.00 0.00 55.95 56.43 2af2 s SER 34 Cb 0.00 0.32 -0.01 0.00 0.10 0.00 0.00 66.02 66.43 2af2 s SER 34 CO 0.00 -0.51 -0.21 -0.63 0.98 0.00 0.00 173.24 172.87 2af2 s ILE 35 N -1.81 2.40 0.12 -1.02 -1.09 -0.28 -0.38 121.20 119.15 2af2 s ILE 35 Ca -0.10 -0.92 -0.14 0.00 -2.23 0.00 0.00 60.65 57.25 2af2 s ILE 35 Cb -0.04 -1.92 0.03 0.00 -1.58 0.00 0.00 42.46 38.95 2af2 s ILE 35 CO 0.01 0.56 0.36 -1.59 -1.23 0.00 0.00 174.94 173.05 2af2 s LYS 36 N 0.03 1.03 0.00 2.79 -2.85 0.14 -0.63 119.74 120.25 2af2 s LYS 36 Ca -0.08 -0.78 0.00 0.00 -1.00 0.00 0.00 55.97 54.12 2af2 s LYS 36 Cb -0.15 0.44 0.00 0.00 -2.06 0.00 0.00 37.83 36.06 2af2 s LYS 36 CO 0.05 -0.39 0.00 0.41 0.10 0.00 0.00 175.35 175.52 2af2 n GLY 37 N -0.19 0.71 3.94 0.59 0.00 0.04 -1.73 105.19 108.54 2af2 n GLY 37 Ca -0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 2af2 n GLY 37 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2af2 s LEU 38 N 0.00 2.81 1.06 0.99 1.43 -1.21 -4.81 118.68 118.95 2af2 s LEU 38 Ca 0.00 0.27 -0.16 0.00 -1.03 0.00 0.00 54.13 53.20 2af2 s LEU 38 Cb 0.00 -2.72 0.22 0.00 0.03 0.00 0.00 46.19 43.73 2af2 s LEU 38 CO 0.00 -1.92 1.18 -0.89 0.23 0.00 0.00 176.35 174.96 2af2 s THR 39 N -3.38 1.83 0.00 5.49 2.01 -1.26 -4.46 115.64 115.86 2af2 s THR 39 Ca 0.64 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.64 2af2 s THR 39 Cb -0.08 -2.71 0.00 0.00 0.01 0.00 0.00 72.50 69.72 2af2 s THR 39 CO 0.47 0.00 0.00 1.21 -0.69 0.00 0.00 174.62 175.61 2af2 n GLU 40 N -4.21 0.00 -1.63 4.92 2.13 -1.26 -4.46 120.64 116.12 2af2 n GLU 40 Ca 0.12 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.63 2af2 n GLU 40 Cb 0.59 -0.04 -0.04 0.00 0.27 0.00 0.00 31.44 32.22 2af2 n GLU 40 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2af2 s GLY 41 N 0.00 -0.44 0.37 8.31 0.00 -1.26 -2.50 107.32 111.79 2af2 s GLY 41 Ca 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 44.72 44.43 2af2 s GLY 41 CO 0.00 4.07 0.00 1.04 0.00 0.00 0.00 173.10 178.21 2af2 n LEU 42 N 16.16 -5.33 -4.00 0.66 4.77 -1.26 -4.54 117.00 123.46 2af2 n LEU 42 Ca 0.37 2.92 -0.16 0.00 -0.03 0.00 0.00 56.01 59.11 2af2 n LEU 42 Cb 0.52 -2.72 -0.14 0.00 -2.33 0.00 0.00 43.42 38.75 2af2 n LEU 42 CO 0.67 -0.40 -0.41 -1.00 -1.33 0.00 0.00 177.39 174.92 2af2 s HIS 43 N -2.15 0.61 0.63 -1.77 3.76 0.11 -0.45 115.29 116.03 2af2 s HIS 43 Ca 0.00 -0.17 -0.15 0.00 -0.15 0.00 0.00 55.06 54.59 2af2 s HIS 43 Cb 0.00 -0.39 -0.01 0.00 1.11 0.00 0.00 32.58 33.29 2af2 s HIS 43 CO 0.00 -0.02 1.09 0.20 -0.85 0.00 0.00 174.74 175.16 2af2 s GLY 44 N -0.38 2.12 -0.30 -2.22 0.00 0.62 -0.61 107.32 106.54 2af2 s GLY 44 Ca 0.01 0.46 0.02 0.00 0.00 0.00 0.00 44.72 45.21 2af2 s GLY 44 CO -0.00 0.80 0.38 -0.12 0.00 0.00 0.00 173.10 174.16 2af2 s PHE 45 N -2.42 -0.78 -0.04 1.90 5.36 -1.23 -1.03 117.98 119.74 2af2 s PHE 45 Ca 0.65 0.02 -0.10 0.00 -0.96 0.00 0.00 56.93 56.55 2af2 s PHE 45 Cb -0.18 -0.27 0.02 0.00 -0.34 0.00 0.00 43.02 42.25 2af2 s PHE 45 CO 0.40 -0.97 0.22 -3.38 -1.46 0.00 0.00 175.22 170.03 2af2 s HIS 46 N 2.33 -0.13 -0.27 10.12 -3.43 -0.81 -3.59 115.29 119.50 2af2 s HIS 46 Ca 0.11 0.27 -0.10 0.00 -0.80 0.00 0.00 55.06 54.54 2af2 s HIS 46 Cb -0.13 0.04 -0.04 0.00 -1.43 0.00 0.00 32.58 31.02 2af2 s HIS 46 CO -0.27 -0.25 0.15 0.08 -2.00 0.00 0.00 174.74 172.45 2af2 s VAL 47 N -0.77 4.95 0.36 -5.38 1.01 0.90 -0.96 120.40 120.51 2af2 s VAL 47 Ca -0.09 0.02 -0.27 0.00 0.00 0.00 0.00 61.98 61.65 2af2 s VAL 47 Cb -0.05 -3.36 -0.09 0.00 0.00 0.00 0.00 36.38 32.88 2af2 s VAL 47 CO 0.02 0.26 1.13 -1.00 0.00 0.00 0.00 175.10 175.51 2af2 s HIS 48 N 1.71 3.27 0.30 5.22 3.76 0.13 -4.48 115.29 125.20 2af2 s HIS 48 Ca 0.07 1.61 -0.29 0.00 -0.15 0.00 0.00 55.06 56.29 2af2 s HIS 48 Cb -0.16 -3.32 -0.11 0.00 1.11 0.00 0.00 32.58 30.11 2af2 s HIS 48 CO 0.08 -0.96 1.47 -2.00 -0.85 0.00 0.00 174.74 172.49 2af2 s GLU 49 N -2.04 4.21 0.32 1.40 2.56 -0.50 -1.14 118.70 123.52 2af2 s GLU 49 Ca 0.53 2.42 0.00 0.00 0.00 0.00 0.00 54.97 57.91 2af2 s GLU 49 Cb -0.30 -3.05 0.00 0.00 2.00 0.00 0.00 34.13 32.78 2af2 s GLU 49 CO 0.38 -0.47 0.00 1.19 -0.56 0.00 0.00 175.26 175.80 2af2 n PHE 50 N 1.73 -2.27 0.26 5.30 3.72 -1.25 -4.74 117.46 120.22 2af2 n PHE 50 Ca 0.05 1.21 0.05 0.00 -0.05 0.00 0.00 57.45 58.72 2af2 n PHE 50 Cb 0.39 -2.07 -0.07 0.00 -0.94 0.00 0.00 39.48 36.80 2af2 n PHE 50 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2af2 n GLY 51 N -3.52 -0.20 2.24 1.37 0.00 -0.99 -2.95 105.19 101.14 2af2 n GLY 51 Ca -0.03 -0.27 -0.17 0.00 0.00 0.00 0.00 46.02 45.55 2af2 n GLY 51 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2af2 n ASP 52 N -1.53 5.01 0.00 1.61 8.00 -1.26 -2.21 116.55 126.18 2af2 n ASP 52 Ca 0.00 -2.32 0.00 0.00 0.71 0.00 0.00 54.79 53.18 2af2 n ASP 52 Cb 0.21 -1.17 0.00 0.00 -0.02 0.00 0.00 41.12 40.14 2af2 n ASP 52 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 2af2 n ASN 53 N 3.07 0.00 0.14 -2.24 2.04 -1.26 -5.10 115.26 111.91 2af2 n ASN 53 Ca 0.43 0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.57 2af2 n ASN 53 Cb 0.52 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.77 2af2 n ASN 53 CO 0.00 0.00 0.00 0.35 -0.44 0.00 0.00 177.26 177.17 2af2 n THR 54 N 0.00 0.00 0.89 5.53 -2.24 -0.94 -3.54 114.28 113.98 2af2 n THR 54 Ca 0.00 0.61 0.03 0.00 -2.27 0.00 0.00 64.05 62.42 2af2 n THR 54 Cb 0.00 -1.42 0.10 0.00 -2.10 0.00 0.00 70.33 66.91 2af2 n THR 54 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2af2 n ALA 55 N -1.07 2.69 -0.85 6.98 0.00 -1.26 -3.20 120.51 123.79 2af2 n ALA 55 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.00 2af2 n ALA 55 Cb 0.61 -1.01 0.00 0.00 0.00 0.00 0.00 19.45 19.05 2af2 n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2af2 n GLY 56 N 0.47 2.96 0.33 0.00 0.00 -1.23 -2.92 105.19 104.79 2af2 n GLY 56 Ca 0.07 -0.28 0.19 0.00 0.00 0.00 0.00 46.02 46.00 2af2 n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2af2 n THR 58 N -3.44 3.01 0.00 0.00 5.66 -1.15 -4.18 114.28 114.19 2af2 n THR 58 Ca -0.02 -2.14 0.00 0.00 -3.05 0.00 0.00 64.05 58.84 2af2 n THR 58 Cb 0.17 -1.38 0.00 0.00 -1.55 0.00 0.00 70.33 67.56 2af2 n THR 58 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 2af2 n SER 59 N 0.35 0.00 -4.01 1.09 2.88 -0.63 -4.78 113.62 108.52 2af2 n SER 59 Ca 0.38 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.76 2af2 n SER 59 Cb 0.58 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.90 2af2 n SER 59 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2af2 s ALA 60 N -0.01 0.59 -0.15 -1.46 0.00 0.63 -5.00 121.76 116.36 2af2 s ALA 60 Ca 0.00 -0.43 -0.14 0.00 0.00 0.00 0.00 51.96 51.39 2af2 s ALA 60 Cb 0.00 -0.10 -0.06 0.00 0.00 0.00 0.00 23.12 22.96 2af2 s ALA 60 CO 0.00 0.10 -0.29 0.41 0.00 0.00 0.00 175.76 175.98 2af2 n GLY 61 N 2.52 -0.44 2.60 0.00 0.00 -1.26 -4.00 105.19 104.60 2af2 n GLY 61 Ca -0.16 -0.25 -0.22 0.00 0.00 0.00 0.00 46.02 45.40 2af2 n GLY 61 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2af2 n PRO 62 N -4.26 0.90 -4.45 1.61 -0.04 -1.26 -5.02 135.00 122.49 2af2 n PRO 62 Ca -0.17 -2.66 -0.33 0.00 -0.04 0.00 0.00 63.50 60.30 2af2 n PRO 62 Cb 0.50 1.03 -0.15 0.00 -0.04 0.00 0.00 33.50 34.84 2af2 n PRO 62 CO 0.00 0.00 0.00 -3.38 -0.04 0.00 0.00 175.50 172.08 2af2 s HIS 63 N -2.50 2.82 0.80 0.54 -3.43 -1.26 -1.41 115.29 110.85 2af2 s HIS 63 Ca 0.07 -0.95 -0.08 0.00 -0.80 0.00 0.00 55.06 53.30 2af2 s HIS 63 Cb 0.00 -1.92 0.13 0.00 -1.43 0.00 0.00 32.58 29.37 2af2 s HIS 63 CO 0.05 -0.44 1.12 -0.06 -2.00 0.00 0.00 174.74 173.41 2af2 s PHE 64 N 0.84 2.00 -0.67 0.38 0.40 -1.26 -4.89 117.98 114.78 2af2 s PHE 64 Ca -0.04 0.15 0.01 0.00 -0.60 0.00 0.00 56.93 56.45 2af2 s PHE 64 Cb -0.15 -3.45 0.39 0.00 0.51 0.00 0.00 43.02 40.32 2af2 s PHE 64 CO -0.00 -1.95 1.69 0.27 0.70 0.00 0.00 175.22 175.93 2af2 n ASN 65 N -3.19 6.51 0.25 1.36 6.94 -1.26 -4.70 115.26 121.17 2af2 n ASN 65 Ca 0.13 -3.79 0.11 0.00 -0.02 0.00 0.00 54.58 51.01 2af2 n ASN 65 Cb 0.60 -0.83 0.68 0.00 -2.36 0.00 0.00 39.78 37.87 2af2 n ASN 65 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 2af2 h PRO 66 N 2.74 0.00 0.00 -0.53 0.13 -1.96 0.19 132.00 132.58 2af2 h PRO 66 Ca 0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.61 2af2 h PRO 66 Cb 0.45 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.58 2af2 h PRO 66 CO 1.23 0.14 0.00 1.28 -0.23 0.00 0.00 178.00 180.41 2af2 n LEU 67 N -3.80 0.00 -2.69 1.56 4.77 -1.26 -4.96 117.00 110.62 2af2 n LEU 67 Ca -0.02 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.86 2af2 n LEU 67 Cb 0.24 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.38 2af2 n LEU 67 CO 0.31 0.00 0.03 -0.24 -1.33 0.00 0.00 177.39 176.16 2af2 n SER 68 N -0.98 -4.65 -3.22 -1.43 2.88 0.67 -5.02 113.62 101.87 2af2 n SER 68 Ca 0.22 -0.48 -0.09 0.00 -1.33 0.00 0.00 58.87 57.19 2af2 n SER 68 Cb 0.10 -3.73 0.00 0.00 -0.75 0.00 0.00 64.21 59.84 2af2 n SER 68 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2af2 s ARG 69 N -4.12 2.06 0.96 -1.46 1.70 -1.26 -5.14 118.95 111.69 2af2 s ARG 69 Ca 0.26 -1.40 -0.16 0.00 -0.47 0.00 0.00 55.73 53.97 2af2 s ARG 69 Cb -0.03 0.58 0.20 0.00 -0.57 0.00 0.00 34.95 35.13 2af2 s ARG 69 CO 0.51 -0.94 1.31 0.21 -1.08 0.00 0.00 175.30 175.31 2af2 s LYS 70 N -2.84 0.67 -0.03 3.89 2.47 -1.26 -4.81 119.74 117.85 2af2 s LYS 70 Ca 0.17 -0.37 -0.01 0.00 -1.56 0.00 0.00 55.97 54.21 2af2 s LYS 70 Cb -0.04 -1.85 -0.04 0.00 -1.46 0.00 0.00 37.83 34.44 2af2 s LYS 70 CO 0.12 -2.40 0.04 -1.58 0.16 0.00 0.00 175.35 171.70 2af2 s HIS 71 N -3.85 3.22 0.00 4.03 5.65 -1.25 -3.85 115.29 119.23 2af2 s HIS 71 Ca 0.73 0.18 0.00 0.00 0.25 0.00 0.00 55.06 56.23 2af2 s HIS 71 Cb -0.04 -1.74 0.00 0.00 -1.18 0.00 0.00 32.58 29.62 2af2 s HIS 71 CO 0.53 0.52 0.00 0.41 -0.65 0.00 0.00 174.74 175.55 2af2 n GLY 72 N 1.48 -0.25 0.00 1.59 0.00 -1.26 -2.65 105.19 104.11 2af2 n GLY 72 Ca -0.15 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2af2 n GLY 72 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2af2 n GLY 73 N 0.00 2.37 0.00 -0.02 0.00 -0.54 -4.67 105.19 102.33 2af2 n GLY 73 Ca 0.00 -0.43 0.04 0.00 0.00 0.00 0.00 46.02 45.64 2af2 n GLY 73 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2af2 n PRO 74 N 0.00 0.21 0.00 1.61 -0.02 -1.26 -3.89 135.00 131.65 2af2 n PRO 74 Ca 0.00 0.09 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 2af2 n PRO 74 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 2af2 n PRO 74 CO 0.00 0.00 0.00 0.36 1.98 0.00 0.00 175.50 177.84 2af2 n LYS 75 N -1.13 0.19 -2.85 -0.52 2.85 -1.26 -5.03 118.16 110.40 2af2 n LYS 75 Ca 0.06 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 56.89 2af2 n LYS 75 Cb 0.05 -0.25 -0.04 0.00 -0.65 0.00 0.00 35.03 34.13 2af2 n LYS 75 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 2af2 s ASP 76 N -0.94 6.28 0.22 -5.58 2.15 -1.15 -4.94 116.67 112.72 2af2 s ASP 76 Ca 0.00 -0.55 0.17 0.00 0.43 0.00 0.00 52.55 52.60 2af2 s ASP 76 Cb 0.00 -2.43 0.86 0.00 -0.30 0.00 0.00 42.92 41.05 2af2 s ASP 76 CO 0.00 -1.28 1.53 -0.62 -0.17 0.00 0.00 175.17 174.63 2af2 n GLU 77 N 7.52 0.11 0.00 4.34 1.02 -1.26 -1.47 120.64 130.90 2af2 n GLU 77 Ca -0.00 0.53 0.00 0.00 -0.02 0.00 0.00 57.16 57.67 2af2 n GLU 77 Cb 0.47 -1.81 0.00 0.00 -0.02 0.00 0.00 31.44 30.07 2af2 n GLU 77 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 2af2 n GLU 78 N -2.05 0.00 -0.98 3.49 -0.58 -1.26 -5.02 120.64 114.24 2af2 n GLU 78 Ca 0.00 0.39 0.00 0.00 -0.42 0.00 0.00 57.16 57.13 2af2 n GLU 78 Cb 0.08 -0.96 0.00 0.00 -0.57 0.00 0.00 31.44 29.99 2af2 n GLU 78 CO 0.00 0.00 0.00 -2.13 -0.48 0.00 0.00 177.13 174.52 2af2 n ARG 79 N -1.66 -0.71 -0.65 3.49 0.63 -1.25 -5.01 116.66 111.51 2af2 n ARG 79 Ca 0.00 0.94 -0.30 0.00 -0.92 0.00 0.00 57.85 57.57 2af2 n ARG 79 Cb 0.00 -0.85 0.19 0.00 0.45 0.00 0.00 32.46 32.25 2af2 n ARG 79 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 2af2 s HIS 80 N -0.07 1.54 0.46 -0.14 3.76 -1.25 -4.92 115.29 114.66 2af2 s HIS 80 Ca 0.00 1.63 0.15 0.00 -0.15 0.00 0.00 55.06 56.69 2af2 s HIS 80 Cb 0.00 -3.27 1.04 0.00 1.11 0.00 0.00 32.58 31.46 2af2 s HIS 80 CO 0.00 -3.12 2.01 -0.24 -0.85 0.00 0.00 174.74 172.55 2af2 h VAL 81 N -2.09 1.11 -0.15 -0.90 3.04 -1.95 -2.53 116.25 112.78 2af2 h VAL 81 Ca -0.48 -0.55 0.00 0.00 -1.01 0.00 0.00 66.70 64.66 2af2 h VAL 81 Cb 1.29 1.30 0.00 0.00 -2.01 0.00 0.00 31.29 31.86 2af2 h VAL 81 CO 0.44 0.16 0.00 0.61 -1.01 0.00 0.00 177.57 177.76 2af2 n GLY 82 N -1.07 0.21 3.24 3.17 0.00 -1.26 -4.77 105.19 104.70 2af2 n GLY 82 Ca -0.03 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 2af2 n GLY 82 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2af2 s ASP 83 N -0.81 4.74 0.84 1.61 1.01 -0.96 -0.07 116.67 123.04 2af2 s ASP 83 Ca 0.11 -0.93 -0.04 0.00 0.71 0.00 0.00 52.55 52.39 2af2 s ASP 83 Cb 0.06 -1.75 0.08 0.00 1.01 0.00 0.00 42.92 42.32 2af2 s ASP 83 CO 0.06 -0.19 0.47 0.18 0.21 0.00 0.00 175.17 175.90 2af2 n LEU 84 N 4.73 0.00 0.00 1.23 4.77 -1.24 -4.84 117.00 121.65 2af2 n LEU 84 Ca -0.15 -0.65 0.00 0.00 -0.03 0.00 0.00 56.01 55.19 2af2 n LEU 84 Cb 0.46 -0.34 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2af2 n LEU 84 CO 0.28 -0.81 0.00 0.61 -1.33 0.00 0.00 177.39 176.15 2af2 n GLY 85 N 1.79 0.91 3.38 -0.72 0.00 -1.26 -4.68 105.19 104.60 2af2 n GLY 85 Ca 0.06 -0.60 -0.19 0.00 0.00 0.00 0.00 46.02 45.29 2af2 n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2af2 s ASN 86 N -1.00 2.47 -0.03 1.61 2.20 -1.26 -3.54 114.94 115.40 2af2 s ASN 86 Ca 0.00 -1.14 0.03 0.00 -0.94 0.00 0.00 52.86 50.81 2af2 s ASN 86 Cb 0.00 -0.12 0.00 0.00 -2.00 0.00 0.00 41.25 39.14 2af2 s ASN 86 CO 0.00 -0.33 -0.10 0.54 -2.94 0.00 0.00 177.10 174.27 2af2 s VAL 87 N -3.10 0.88 -0.10 3.54 0.11 0.22 -4.96 120.40 116.99 2af2 s VAL 87 Ca 0.27 -0.42 -0.01 0.00 -2.93 0.00 0.00 61.98 58.89 2af2 s VAL 87 Cb 0.03 -0.77 -0.03 0.00 -1.53 0.00 0.00 36.38 34.08 2af2 s VAL 87 CO 0.09 0.27 -0.07 0.28 -3.33 0.00 0.00 175.10 172.34 2af2 s THR 88 N 0.10 3.66 0.36 5.04 -1.32 -1.26 0.06 115.64 122.28 2af2 s THR 88 Ca -0.02 -0.47 -0.06 0.00 -1.21 0.00 0.00 61.69 59.93 2af2 s THR 88 Cb -0.08 -2.53 -0.05 0.00 -1.51 0.00 0.00 72.50 68.33 2af2 s THR 88 CO 0.01 0.56 0.65 0.00 -2.21 0.00 0.00 174.62 173.62 2af2 s ALA 89 N -0.33 3.52 0.57 11.08 0.00 -1.04 -4.43 121.76 131.12 2af2 s ALA 89 Ca 0.05 -0.50 -0.16 0.00 0.00 0.00 0.00 51.96 51.35 2af2 s ALA 89 Cb -0.12 -2.43 -0.05 0.00 0.00 0.00 0.00 23.12 20.51 2af2 s ALA 89 CO 0.02 0.04 1.02 0.34 0.00 0.00 0.00 175.76 177.19 2af2 s ASP 90 N -3.43 6.16 0.59 0.00 2.15 0.56 -4.40 116.67 118.30 2af2 s ASP 90 Ca 0.46 1.67 0.29 0.00 0.43 0.00 0.00 52.55 55.40 2af2 s ASP 90 Cb -0.10 -2.52 1.55 0.00 -0.30 0.00 0.00 42.92 41.55 2af2 s ASP 90 CO 0.34 -0.91 1.97 0.07 -0.17 0.00 0.00 175.17 176.46 2af2 h LYS 91 N 0.54 0.00 0.00 4.34 -0.00 -1.94 0.19 116.57 119.70 2af2 h LYS 91 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.19 2af2 h LYS 91 Cb 1.20 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 33.43 2af2 h LYS 91 CO 0.59 0.00 0.00 -0.25 -0.00 0.00 0.00 179.45 179.79 2af2 n ASP 92 N -3.68 0.00 -0.00 7.07 8.00 -1.26 -4.84 116.55 121.84 2af2 n ASP 92 Ca 0.05 -0.52 0.00 0.00 0.71 0.00 0.00 54.79 55.04 2af2 n ASP 92 Cb 0.53 -0.12 0.00 0.00 -0.02 0.00 0.00 41.12 41.51 2af2 n ASP 92 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2af2 n GLY 93 N 0.74 1.79 2.99 0.44 0.00 0.04 -4.92 105.19 106.28 2af2 n GLY 93 Ca 0.17 -0.10 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 2af2 n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2af2 s VAL 94 N -2.00 -0.04 -0.38 1.61 0.11 -1.13 -0.78 120.40 117.79 2af2 s VAL 94 Ca 0.00 0.14 -0.16 0.00 -2.93 0.00 0.00 61.98 59.03 2af2 s VAL 94 Cb 0.00 -0.29 0.00 0.00 -1.53 0.00 0.00 36.38 34.56 2af2 s VAL 94 CO 0.00 0.06 0.39 0.00 -3.33 0.00 0.00 175.10 172.21 2af2 s ALA 95 N 1.04 3.47 -0.18 1.54 0.00 0.20 -0.32 121.76 127.51 2af2 s ALA 95 Ca -0.08 -1.38 -0.06 0.00 0.00 0.00 0.00 51.96 50.45 2af2 s ALA 95 Cb -0.10 -2.92 -0.03 0.00 0.00 0.00 0.00 23.12 20.07 2af2 s ALA 95 CO -0.06 -1.31 0.02 0.34 0.00 0.00 0.00 175.76 174.75 2af2 s ASP 96 N 1.76 5.21 0.04 0.00 2.15 -1.26 -1.12 116.67 123.44 2af2 s ASP 96 Ca 0.11 -0.05 0.06 0.00 0.43 0.00 0.00 52.55 53.11 2af2 s ASP 96 Cb -0.17 -1.88 -0.02 0.00 -0.30 0.00 0.00 42.92 40.55 2af2 s ASP 96 CO 0.12 0.15 -0.17 -0.69 -0.17 0.00 0.00 175.17 174.41 2af2 s VAL 97 N 0.52 1.37 -0.38 1.11 1.01 0.61 -5.01 120.40 119.64 2af2 s VAL 97 Ca 0.00 -1.08 0.03 0.00 0.00 0.00 0.00 61.98 60.93 2af2 s VAL 97 Cb -0.13 -1.22 0.16 0.00 0.00 0.00 0.00 36.38 35.19 2af2 s VAL 97 CO 0.02 0.11 0.38 -0.94 0.00 0.00 0.00 175.10 174.67 2af2 s SER 98 N -1.14 1.14 0.06 3.32 1.04 -1.26 -1.59 113.70 115.28 2af2 s SER 98 Ca 0.04 -1.66 0.05 0.00 0.48 0.00 0.00 55.95 54.86 2af2 s SER 98 Cb -0.08 0.54 -0.03 0.00 0.10 0.00 0.00 66.02 66.55 2af2 s SER 98 CO 0.01 -0.25 -0.14 -0.63 0.98 0.00 0.00 173.24 173.22 2af2 s ILE 99 N 1.35 1.06 -0.01 -1.02 1.01 0.40 -5.00 121.20 118.99 2af2 s ILE 99 Ca 0.18 -1.24 0.02 0.00 0.00 0.00 0.00 60.65 59.61 2af2 s ILE 99 Cb -0.15 -1.02 0.00 0.00 0.01 0.00 0.00 42.46 41.30 2af2 s ILE 99 CO -0.03 -0.20 -0.05 -0.70 0.00 0.00 0.00 174.94 173.96 2af2 s GLU 100 N -1.63 0.49 0.03 2.79 2.12 -1.26 0.09 118.70 121.33 2af2 s GLU 100 Ca -0.02 -0.17 -0.10 0.00 0.36 0.00 0.00 54.97 55.04 2af2 s GLU 100 Cb -0.10 -0.48 0.01 0.00 0.26 0.00 0.00 34.13 33.82 2af2 s GLU 100 CO 0.02 0.08 0.21 0.34 -0.54 0.00 0.00 175.26 175.37 2af2 s ASP 101 N 0.05 0.00 -0.52 -1.70 2.15 -0.34 -4.99 116.67 111.32 2af2 s ASP 101 Ca -0.00 -0.30 0.04 0.00 0.43 0.00 0.00 52.55 52.72 2af2 s ASP 101 Cb -0.04 0.29 0.39 0.00 -0.30 0.00 0.00 42.92 43.26 2af2 s ASP 101 CO -0.00 -0.54 1.15 -1.54 -0.17 0.00 0.00 175.17 174.07 2af2 n SER 102 N 0.79 4.91 -0.30 -0.34 3.41 -1.26 -0.71 113.62 120.12 2af2 n SER 102 Ca -0.19 -3.72 0.00 0.00 -0.26 0.00 0.00 58.87 54.70 2af2 n SER 102 Cb 0.58 -0.54 0.00 0.00 -0.26 0.00 0.00 64.21 63.99 2af2 n SER 102 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 2af2 n VAL 103 N -0.41 0.00 -4.27 -3.33 3.14 -1.26 -4.90 118.33 107.30 2af2 n VAL 103 Ca 0.38 0.00 -0.17 0.00 -2.96 0.00 0.00 64.34 61.59 2af2 n VAL 103 Cb 0.55 0.19 -0.09 0.00 -1.06 0.00 0.00 33.84 33.43 2af2 n VAL 103 CO 0.00 0.00 0.00 0.27 -6.46 0.00 0.00 176.83 170.64 2af2 s ILE 104 N 0.00 0.02 0.34 1.55 -0.00 -1.26 -5.07 121.20 116.79 2af2 s ILE 104 Ca 0.00 -2.00 -0.18 0.00 -0.00 0.00 0.00 60.65 58.47 2af2 s ILE 104 Cb 0.00 -2.50 0.04 0.00 -0.00 0.00 0.00 42.46 40.00 2af2 s ILE 104 CO 0.00 0.00 0.77 -0.94 -0.00 0.00 0.00 174.94 174.77 2af2 s SER 105 N -3.32 -0.09 -0.88 4.36 1.04 -1.26 -4.67 113.70 108.87 2af2 s SER 105 Ca 0.40 -0.94 -0.00 0.00 0.48 0.00 0.00 55.95 55.88 2af2 s SER 105 Cb 0.04 0.80 0.34 0.00 0.10 0.00 0.00 66.02 67.30 2af2 s SER 105 CO 0.23 -1.56 1.72 0.18 0.98 0.00 0.00 173.24 174.79 2af2 n LEU 106 N -0.51 6.87 -0.00 2.42 4.32 -1.26 -2.05 117.00 126.79 2af2 n LEU 106 Ca -0.07 -5.27 0.06 0.00 -0.02 0.00 0.00 56.01 50.72 2af2 n LEU 106 Cb 0.60 -1.02 -0.09 0.00 -1.62 0.00 0.00 43.42 41.29 2af2 n LEU 106 CO 0.22 2.02 -0.44 -0.24 -1.22 0.00 0.00 177.39 177.74 2af2 n SER 107 N -0.24 1.50 -1.46 -1.43 2.88 -1.26 -4.64 113.62 108.96 2af2 n SER 107 Ca 0.46 -0.28 -0.00 0.00 -1.33 0.00 0.00 58.87 57.72 2af2 n SER 107 Cb 0.30 1.39 -0.00 0.00 -0.75 0.00 0.00 64.21 65.15 2af2 n SER 107 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2af2 n GLY 108 N 1.59 -3.23 3.19 0.46 0.00 -1.13 -4.77 105.19 101.31 2af2 n GLY 108 Ca -0.01 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2af2 n GLY 108 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2af2 n ASP 109 N 0.23 0.00 -0.31 1.61 8.00 -1.18 -4.55 116.55 120.35 2af2 n ASP 109 Ca -0.03 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.58 2af2 n ASP 109 Cb 0.05 0.00 0.52 0.00 -0.02 0.00 0.00 41.12 41.67 2af2 n ASP 109 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 2af2 n HIS 110 N 0.00 0.09 -2.26 1.24 8.25 -1.26 -4.93 115.22 116.34 2af2 n HIS 110 Ca 0.00 -0.04 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 2af2 n HIS 110 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2af2 n HIS 110 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2af2 n SER 111 N -0.18 0.05 0.02 0.41 3.41 -1.26 -4.93 113.62 111.13 2af2 n SER 111 Ca 0.17 0.00 0.11 0.00 -0.26 0.00 0.00 58.87 58.89 2af2 n SER 111 Cb 0.23 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.10 2af2 n SER 111 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 2af2 n ILE 112 N 0.00 0.16 -2.35 -1.33 -5.35 -0.87 -4.68 119.36 104.94 2af2 n ILE 112 Ca 0.00 -0.38 -0.41 0.00 -0.27 0.00 0.00 62.75 61.69 2af2 n ILE 112 Cb 0.00 0.11 -0.03 0.00 -1.74 0.00 0.00 39.64 37.98 2af2 n ILE 112 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2af2 s ILE 113 N -3.34 3.61 -0.81 7.28 -1.09 -1.13 -2.27 121.20 123.44 2af2 s ILE 113 Ca -0.02 1.28 -0.04 0.00 -2.23 0.00 0.00 60.65 59.64 2af2 s ILE 113 Cb 0.14 -3.82 0.00 0.00 -1.58 0.00 0.00 42.46 37.20 2af2 s ILE 113 CO 0.85 0.17 0.70 0.61 -1.23 0.00 0.00 174.94 176.05 2af2 n GLY 114 N 2.56 0.02 3.08 6.18 0.00 -1.21 -2.81 105.19 113.00 2af2 n GLY 114 Ca 0.06 -0.11 -0.11 0.00 0.00 0.00 0.00 46.02 45.86 2af2 n GLY 114 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2af2 s ARG 115 N -5.58 0.43 -0.30 1.61 3.52 -0.96 -2.33 118.95 115.33 2af2 s ARG 115 Ca 0.28 -0.36 -0.02 0.00 -0.13 0.00 0.00 55.73 55.50 2af2 s ARG 115 Cb -0.12 0.18 0.05 0.00 -1.56 0.00 0.00 34.95 33.49 2af2 s ARG 115 CO 0.45 -0.10 -0.00 0.99 -0.81 0.00 0.00 175.30 175.83 2af2 s THR 116 N -1.24 2.97 0.13 4.11 2.01 -0.29 -2.23 115.64 121.10 2af2 s THR 116 Ca -0.13 -1.39 -0.23 0.00 0.31 0.00 0.00 61.69 60.25 2af2 s THR 116 Cb -0.07 -2.70 -0.07 0.00 0.01 0.00 0.00 72.50 69.66 2af2 s THR 116 CO 0.01 -0.10 0.69 -0.22 -0.69 0.00 0.00 174.62 174.31 2af2 s LEU 117 N 1.25 4.57 0.06 4.42 2.96 -0.01 0.22 118.68 132.14 2af2 s LEU 117 Ca -0.05 1.49 0.04 0.00 -0.22 0.00 0.00 54.13 55.39 2af2 s LEU 117 Cb -0.20 -3.14 -0.03 0.00 0.50 0.00 0.00 46.19 43.33 2af2 s LEU 117 CO -0.01 0.23 -0.12 0.54 -1.32 0.00 0.00 176.35 175.67 2af2 s VAL 118 N -1.09 0.89 0.14 1.68 0.11 -0.14 -1.85 120.40 120.14 2af2 s VAL 118 Ca 0.33 -1.16 0.04 0.00 -2.93 0.00 0.00 61.98 58.26 2af2 s VAL 118 Cb -0.22 -0.88 -0.04 0.00 -1.53 0.00 0.00 36.38 33.72 2af2 s VAL 118 CO 0.23 -0.25 0.15 0.68 -3.33 0.00 0.00 175.10 172.59 2af2 s VAL 119 N -1.24 4.69 -0.06 2.04 -7.23 -1.05 -1.93 120.40 115.63 2af2 s VAL 119 Ca -0.04 -0.91 0.03 0.00 -1.81 0.00 0.00 61.98 59.25 2af2 s VAL 119 Cb -0.10 -3.37 0.01 0.00 0.56 0.00 0.00 36.38 33.49 2af2 s VAL 119 CO 0.01 -0.04 -0.15 -1.00 -0.31 0.00 0.00 175.10 173.61 2af2 s HIS 120 N -1.66 1.61 0.23 2.82 3.76 -0.20 -2.17 115.29 119.68 2af2 s HIS 120 Ca 0.31 -0.55 -0.08 0.00 -0.15 0.00 0.00 55.06 54.59 2af2 s HIS 120 Cb -0.11 -1.13 0.21 0.00 1.11 0.00 0.00 32.58 32.66 2af2 s HIS 120 CO 0.24 -0.25 1.89 0.93 -0.85 0.00 0.00 174.74 176.70 2af2 h GLU 121 N 6.70 1.20 -6.61 1.40 4.39 -1.67 0.18 114.58 120.17 2af2 h GLU 121 Ca -0.30 -0.10 -0.51 0.00 0.34 0.00 0.00 59.36 58.79 2af2 h GLU 121 Cb 1.19 -0.26 -0.03 0.00 -0.10 0.00 0.00 28.75 29.55 2af2 h GLU 121 CO 0.48 0.83 0.07 0.21 -1.16 0.00 0.00 179.01 179.43 2af2 s LYS 122 N -6.01 4.08 -0.15 2.33 2.20 -1.02 -4.03 119.74 117.14 2af2 s LYS 122 Ca -0.13 0.70 -0.29 0.00 -0.36 0.00 0.00 55.97 55.89 2af2 s LYS 122 Cb 0.17 -2.66 -0.14 0.00 -1.51 0.00 0.00 37.83 33.69 2af2 s LYS 122 CO 0.81 0.29 0.89 0.00 -0.36 0.00 0.00 175.35 176.97 2af2 n ALA 123 N 0.17 -1.88 -2.15 3.13 0.00 0.40 -1.98 120.51 118.20 2af2 n ALA 123 Ca 0.00 0.38 -0.41 0.00 0.00 0.00 0.00 53.44 53.41 2af2 n ALA 123 Cb 0.52 -1.24 -0.04 0.00 0.00 0.00 0.00 19.45 18.69 2af2 n ALA 123 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2af2 s ASP 124 N 0.90 7.24 0.19 0.00 -1.08 -1.26 -4.30 116.67 118.36 2af2 s ASP 124 Ca 0.66 2.06 -0.00 0.00 -0.52 0.00 0.00 52.55 54.74 2af2 s ASP 124 Cb -0.93 -2.60 0.10 0.00 -1.46 0.00 0.00 42.92 38.03 2af2 s ASP 124 CO 0.46 -0.26 1.47 -0.78 0.52 0.00 0.00 175.17 176.58 2af2 h ASP 125 N 5.43 0.45 -3.41 -0.34 3.58 -1.05 -3.48 116.42 117.61 2af2 h ASP 125 Ca -0.44 -0.28 -0.36 0.00 0.42 0.00 0.00 57.03 56.37 2af2 h ASP 125 Cb 1.21 -0.13 0.03 0.00 1.72 0.00 0.00 39.33 42.16 2af2 h ASP 125 CO 0.74 1.00 -0.50 0.18 -2.88 0.00 0.00 179.24 177.78 2af2 n LEU 126 N -3.85 -2.27 0.00 2.28 4.77 -1.26 -4.69 117.00 111.97 2af2 n LEU 126 Ca -0.04 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 2af2 n LEU 126 Cb 0.68 -2.64 0.00 0.00 -2.33 0.00 0.00 43.42 39.12 2af2 n LEU 126 CO 0.47 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.19 2af2 n GLY 127 N -1.27 -2.13 2.72 -0.72 0.00 -1.08 -2.95 105.19 99.75 2af2 n GLY 127 Ca -0.14 0.68 -0.07 0.00 0.00 0.00 0.00 46.02 46.48 2af2 n GLY 127 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2af2 n LYS 128 N -1.48 0.63 -1.04 1.61 2.85 -1.26 -4.36 118.16 115.10 2af2 n LYS 128 Ca 0.00 -1.47 -0.39 0.00 -1.05 0.00 0.00 58.31 55.41 2af2 n LYS 128 Cb 0.00 -1.04 -0.05 0.00 -0.65 0.00 0.00 35.03 33.29 2af2 n LYS 128 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2af2 n GLY 129 N 1.34 2.62 3.10 2.58 0.00 -1.26 -4.40 105.19 109.17 2af2 n GLY 129 Ca 0.06 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.91 2af2 n GLY 129 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2af2 n GLY 130 N 4.39 2.85 3.30 -0.02 0.00 -1.26 -4.74 105.19 109.71 2af2 n GLY 130 Ca 0.48 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.33 2af2 n GLY 130 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2af2 s ASN 131 N -2.41 1.23 0.00 1.61 0.01 -1.26 -5.05 114.94 109.07 2af2 s ASN 131 Ca 0.00 -1.63 -0.19 0.00 -0.71 0.00 0.00 52.86 50.33 2af2 s ASN 131 Cb 0.00 0.53 -0.27 0.00 0.41 0.00 0.00 41.25 41.92 2af2 s ASN 131 CO 0.00 -1.05 1.04 -0.08 -1.51 0.00 0.00 177.10 175.50 2af2 h GLU 132 N 2.24 0.45 -0.99 -0.60 4.57 -1.96 -3.32 114.58 114.96 2af2 h GLU 132 Ca -0.28 -0.58 0.32 0.00 -1.18 0.00 0.00 59.36 57.64 2af2 h GLU 132 Cb 1.24 0.19 -0.15 0.00 -0.16 0.00 0.00 28.75 29.87 2af2 h GLU 132 CO 0.40 1.23 0.55 1.49 -1.18 0.00 0.00 179.01 181.50 2af2 h GLU 133 N -0.06 0.29 -0.95 1.92 4.57 -1.96 0.27 114.58 118.66 2af2 h GLU 133 Ca -0.13 -0.02 0.24 0.00 -1.18 0.00 0.00 59.36 58.28 2af2 h GLU 133 Cb 1.59 -0.07 -0.06 0.00 -0.16 0.00 0.00 28.75 30.05 2af2 h GLU 133 CO 0.16 0.19 0.64 0.77 -1.18 0.00 0.00 179.01 179.60 2af2 h SER 134 N 0.30 0.26 0.77 1.04 0.02 -1.85 0.26 113.55 114.35 2af2 h SER 134 Ca 0.73 0.03 -0.12 0.00 -0.84 0.00 0.00 61.79 61.59 2af2 h SER 134 Cb 1.66 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 64.17 2af2 h SER 134 CO -0.62 0.08 -1.32 0.35 -1.14 0.00 0.00 176.83 174.19 2af2 n THR 135 N -4.44 1.01 0.68 -2.27 -2.24 0.90 -1.25 114.28 106.68 2af2 n THR 135 Ca 0.21 -0.65 0.12 0.00 -2.27 0.00 0.00 64.05 61.46 2af2 n THR 135 Cb 0.86 -0.61 0.24 0.00 -2.10 0.00 0.00 70.33 68.72 2af2 n THR 135 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2af2 n LYS 136 N -2.81 0.22 0.00 -0.78 5.02 -0.57 -3.88 118.16 115.35 2af2 n LYS 136 Ca -0.07 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 2af2 n LYS 136 Cb 0.75 -1.65 0.00 0.00 -0.02 0.00 0.00 35.03 34.11 2af2 n LYS 136 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2af2 n THR 137 N -1.97 0.00 0.00 -0.18 -2.24 -0.02 -4.79 114.28 105.07 2af2 n THR 137 Ca 0.04 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 2af2 n THR 137 Cb 0.41 -0.70 0.00 0.00 -2.10 0.00 0.00 70.33 67.94 2af2 n THR 137 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2af2 n GLY 138 N 2.37 1.00 2.36 3.38 0.00 -0.38 -4.75 105.19 109.17 2af2 n GLY 138 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 2af2 n GLY 138 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2af2 n ASN 139 N 0.00 -4.69 -1.00 1.61 2.85 -1.22 -0.45 115.26 112.36 2af2 n ASN 139 Ca 0.00 0.39 0.00 0.00 -0.11 0.00 0.00 54.58 54.86 2af2 n ASN 139 Cb 0.00 -4.18 0.00 0.00 1.24 0.00 0.00 39.78 36.84 2af2 n ASN 139 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2af2 n ALA 140 N 0.63 2.20 0.00 5.20 0.00 -1.26 -4.72 120.51 122.56 2af2 n ALA 140 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 2af2 n ALA 140 Cb 0.59 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.04 2af2 n ALA 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2af2 n GLY 141 N 0.65 0.88 0.00 0.00 0.00 -1.26 -2.44 105.19 103.02 2af2 n GLY 141 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2af2 n GLY 141 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2af2 n SER 142 N 0.78 1.18 -2.09 1.61 2.88 -1.26 -4.92 113.62 111.79 2af2 n SER 142 Ca 0.00 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.45 2af2 n SER 142 Cb 0.00 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.43 2af2 n SER 142 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2af2 n ARG 143 N 0.00 0.25 0.00 -1.46 3.00 -1.26 -4.55 116.66 112.63 2af2 n ARG 143 Ca 0.00 -1.60 0.00 0.00 -0.00 0.00 0.00 57.85 56.25 2af2 n ARG 143 Cb 0.00 1.37 0.00 0.00 0.00 0.00 0.00 32.46 33.83 2af2 n ARG 143 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.63 179.10 2af2 n LEU 144 N 0.00 0.00 -4.61 6.15 -0.00 -0.92 -3.78 117.00 113.84 2af2 n LEU 144 Ca 0.03 0.00 -0.45 0.00 -0.00 0.00 0.00 56.01 55.59 2af2 n LEU 144 Cb 0.30 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.70 2af2 n LEU 144 CO 0.15 0.00 0.69 0.00 -0.00 0.00 0.00 177.39 178.24 2af2 n ALA 145 N -3.00 0.10 -2.95 1.47 0.00 -1.26 -4.66 120.51 110.21 2af2 n ALA 145 Ca 0.00 0.40 -0.26 0.00 0.00 0.00 0.00 53.44 53.58 2af2 n ALA 145 Cb 0.00 -2.09 -0.16 0.00 0.00 0.00 0.00 19.45 17.20 2af2 n ALA 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2af2 s GLY 147 N 0.09 -0.46 0.45 0.00 0.00 -0.77 -1.29 107.32 105.33 2af2 s GLY 147 Ca -0.05 1.36 -0.21 0.00 0.00 0.00 0.00 44.72 45.82 2af2 s GLY 147 CO 0.02 0.74 0.98 0.54 0.00 0.00 0.00 173.10 175.38 2af2 s VAL 148 N -1.94 4.19 -0.60 1.40 0.11 -1.19 -0.83 120.40 121.52 2af2 s VAL 148 Ca -0.03 1.37 -0.26 0.00 -2.93 0.00 0.00 61.98 60.13 2af2 s VAL 148 Cb -0.00 -3.55 0.04 0.00 -1.53 0.00 0.00 36.38 31.33 2af2 s VAL 148 CO 0.00 -0.29 1.09 -0.63 -3.33 0.00 0.00 175.10 171.94 2af2 s ILE 149 N -2.11 4.13 0.03 7.04 -1.09 -0.95 -4.37 121.20 123.89 2af2 s ILE 149 Ca 0.64 0.47 0.02 0.00 -2.23 0.00 0.00 60.65 59.54 2af2 s ILE 149 Cb -0.12 -4.69 -0.04 0.00 -1.58 0.00 0.00 42.46 36.04 2af2 s ILE 149 CO 0.15 -1.36 0.05 -0.83 -1.23 0.00 0.00 174.94 171.73 2af2 s GLY 150 N 3.12 1.97 0.88 6.18 0.00 -0.96 -3.34 107.32 115.17 2af2 s GLY 150 Ca 0.35 -0.95 -0.14 0.00 0.00 0.00 0.00 44.72 43.98 2af2 s GLY 150 CO 0.20 -0.86 1.24 -0.26 0.00 0.00 0.00 173.10 173.42 2af2 s ILE 151 N -1.22 2.00 0.00 0.90 -5.25 -1.26 -1.03 121.20 115.34 2af2 s ILE 151 Ca 0.24 0.00 0.00 0.00 -0.99 0.00 0.00 60.65 59.90 2af2 s ILE 151 Cb -0.12 -2.99 0.00 0.00 2.95 0.00 0.00 42.46 42.30 2af2 s ILE 151 CO 0.15 0.00 0.00 0.00 -1.79 0.00 0.00 174.94 173.30 2af2 n ALA 152 N -3.54 0.00 -0.31 2.27 0.00 -0.30 -4.80 120.51 113.83 2af2 n ALA 152 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2af2 n ALA 152 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.05 2af2 n ALA 152 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44