#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 4.39 -1.62 0.00 5.66 0.19 -4.86 114.28 118.04 2af2 n THR 2 Ca 0.00 -4.85 -0.31 0.00 -3.05 0.00 0.00 64.05 55.85 2af2 n THR 2 Cb 0.00 -2.44 0.06 0.00 -1.55 0.00 0.00 70.33 66.39 2af2 n THR 2 CO 0.00 0.00 0.00 -1.59 -3.05 0.00 0.00 175.07 170.43 2af2 s LYS 3 N 0.61 2.77 0.16 1.09 -2.85 -1.18 -3.91 119.74 116.43 2af2 s LYS 3 Ca 0.40 0.81 0.01 0.00 -1.00 0.00 0.00 55.97 56.19 2af2 s LYS 3 Cb -0.01 -1.98 -0.05 0.00 -2.06 0.00 0.00 37.83 33.73 2af2 s LYS 3 CO -0.00 -1.18 0.00 0.00 0.10 0.00 0.00 175.35 174.27 2af2 s ALA 4 N -3.11 1.27 -0.05 0.59 0.00 -0.30 -0.22 121.76 119.94 2af2 s ALA 4 Ca 0.58 -1.56 0.01 0.00 0.00 0.00 0.00 51.96 51.00 2af2 s ALA 4 Cb -0.14 0.55 0.02 0.00 0.00 0.00 0.00 23.12 23.56 2af2 s ALA 4 CO 0.54 -0.33 -0.07 0.54 0.00 0.00 0.00 175.76 176.44 2af2 s VAL 5 N -3.70 0.72 -0.46 0.00 0.11 0.34 -0.91 120.40 116.51 2af2 s VAL 5 Ca 0.23 -0.23 -0.29 0.00 -2.93 0.00 0.00 61.98 58.76 2af2 s VAL 5 Cb 0.06 -0.71 0.03 0.00 -1.53 0.00 0.00 36.38 34.23 2af2 s VAL 5 CO 0.03 0.27 1.14 0.00 -3.33 0.00 0.00 175.10 173.21 2af2 s ALA 6 N 0.85 3.18 -1.59 1.54 0.00 0.81 -2.15 121.76 124.41 2af2 s ALA 6 Ca -0.12 -0.42 -0.10 0.00 0.00 0.00 0.00 51.96 51.32 2af2 s ALA 6 Cb -0.15 -3.88 -0.06 0.00 0.00 0.00 0.00 23.12 19.03 2af2 s ALA 6 CO 0.01 -2.19 2.88 0.28 0.00 0.00 0.00 175.76 176.75 2af2 n VAL 7 N 6.76 4.41 -2.48 0.00 0.31 -0.73 -3.34 118.33 123.26 2af2 n VAL 7 Ca 0.12 -2.79 -0.43 0.00 -0.01 0.00 0.00 64.34 61.23 2af2 n VAL 7 Cb 0.49 -2.56 -0.02 0.00 -0.91 0.00 0.00 33.84 30.84 2af2 n VAL 7 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2af2 s LEU 8 N -0.04 3.98 0.29 7.52 1.02 -1.10 -4.04 118.68 126.30 2af2 s LEU 8 Ca 0.68 1.31 -0.03 0.00 0.02 0.00 0.00 54.13 56.11 2af2 s LEU 8 Cb 0.18 -3.54 -0.01 0.00 0.02 0.00 0.00 46.19 42.84 2af2 s LEU 8 CO -0.06 -0.94 0.37 -0.54 0.02 0.00 0.00 176.35 175.20 2af2 s LYS 9 N 3.84 1.67 0.00 1.70 1.02 0.01 -0.91 119.74 127.07 2af2 s LYS 9 Ca 0.53 -1.67 0.00 0.00 0.02 0.00 0.00 55.97 54.85 2af2 s LYS 9 Cb -0.17 0.40 0.00 0.00 -0.52 0.00 0.00 37.83 37.54 2af2 s LYS 9 CO 0.18 -0.66 0.00 0.41 -0.92 0.00 0.00 175.35 174.37 2af2 n GLY 10 N -0.47 0.69 2.48 -3.33 0.00 -1.26 -1.04 105.19 102.26 2af2 n GLY 10 Ca 0.02 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.76 2af2 n GLY 10 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2af2 s ASP 11 N -0.50 2.26 0.00 1.61 1.01 -1.26 -4.96 116.67 114.83 2af2 s ASP 11 Ca 0.00 -2.90 0.00 0.00 0.71 0.00 0.00 52.55 50.36 2af2 s ASP 11 Cb 0.00 -0.58 0.00 0.00 1.01 0.00 0.00 42.92 43.35 2af2 s ASP 11 CO 0.00 -0.20 0.00 0.61 0.21 0.00 0.00 175.17 175.79 2af2 n GLY 12 N 3.09 1.27 0.00 0.21 0.00 -1.26 -0.45 105.19 108.06 2af2 n GLY 12 Ca 0.23 0.65 0.10 0.00 0.00 0.00 0.00 46.02 47.00 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 0.28 -3.39 1.61 -0.04 -1.26 -4.78 135.00 127.43 2af2 n PRO 13 Ca 0.00 0.09 -0.38 0.00 -0.04 0.00 0.00 63.50 63.17 2af2 n PRO 13 Cb 0.00 -1.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.89 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 -2.58 5.21 0.20 0.52 1.01 0.40 -4.51 120.40 120.66 2af2 s VAL 14 Ca 0.19 0.74 -0.08 0.00 0.00 0.00 0.00 61.98 62.83 2af2 s VAL 14 Cb 0.14 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 2af2 s VAL 14 CO 0.32 0.28 0.30 -1.10 0.00 0.00 0.00 175.10 174.90 2af2 s GLN 15 N 1.10 1.30 0.22 2.72 1.11 -1.22 -4.01 119.66 120.88 2af2 s GLN 15 Ca 0.20 -1.34 -0.02 0.00 0.01 0.00 0.00 55.36 54.20 2af2 s GLN 15 Cb -0.15 0.37 -0.03 0.00 -1.01 0.00 0.00 33.01 32.20 2af2 s GLN 15 CO 0.08 -0.49 0.21 0.20 0.01 0.00 0.00 175.29 175.30 2af2 s GLY 16 N -3.04 1.35 -0.38 3.09 0.00 -0.09 -0.84 107.32 107.41 2af2 s GLY 16 Ca 0.26 -1.58 0.12 0.00 0.00 0.00 0.00 44.72 43.51 2af2 s GLY 16 CO 0.07 -1.26 1.07 0.29 0.00 0.00 0.00 173.10 173.27 2af2 n ILE 17 N -0.32 0.26 -2.63 0.90 -5.35 -0.22 -2.73 119.36 109.28 2af2 n ILE 17 Ca 0.02 -2.53 -0.43 0.00 -0.27 0.00 0.00 62.75 59.54 2af2 n ILE 17 Cb 0.65 0.77 -0.02 0.00 -1.74 0.00 0.00 39.64 39.30 2af2 n ILE 17 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2af2 s ILE 18 N -1.26 4.32 0.44 7.28 -1.09 -1.21 -4.25 121.20 125.42 2af2 s ILE 18 Ca 0.27 1.37 -0.21 0.00 -2.23 0.00 0.00 60.65 59.84 2af2 s ILE 18 Cb 0.39 -4.53 -0.10 0.00 -1.58 0.00 0.00 42.46 36.64 2af2 s ILE 18 CO -0.04 -0.82 0.98 0.20 -1.23 0.00 0.00 174.94 174.03 2af2 s ASN 19 N 2.18 6.78 -0.12 3.58 0.02 0.89 -0.13 114.94 128.13 2af2 s ASN 19 Ca 0.46 1.80 -0.02 0.00 -1.02 0.00 0.00 52.86 54.09 2af2 s ASN 19 Cb -0.09 -2.55 0.04 0.00 0.02 0.00 0.00 41.25 38.67 2af2 s ASN 19 CO 0.26 -0.47 0.01 -0.36 0.02 0.00 0.00 177.10 176.55 2af2 s PHE 20 N -2.03 0.89 -0.38 2.20 0.40 -0.09 -1.30 117.98 117.67 2af2 s PHE 20 Ca 0.62 -0.49 -0.16 0.00 -0.60 0.00 0.00 56.93 56.31 2af2 s PHE 20 Cb -0.13 -0.93 0.01 0.00 0.51 0.00 0.00 43.02 42.47 2af2 s PHE 20 CO 0.17 -0.45 0.36 -2.00 0.70 0.00 0.00 175.22 174.00 2af2 s GLU 21 N 1.90 3.27 -0.17 0.44 2.56 0.02 -1.15 118.70 125.57 2af2 s GLU 21 Ca 0.03 -0.69 -0.05 0.00 0.00 0.00 0.00 54.97 54.26 2af2 s GLU 21 Cb -0.14 -3.90 -0.03 0.00 2.00 0.00 0.00 34.13 32.06 2af2 s GLU 21 CO -0.07 -0.67 -0.00 -1.14 -0.56 0.00 0.00 175.26 172.82 2af2 s GLN 22 N 1.95 3.76 -0.20 4.30 2.00 -1.25 -2.62 119.66 127.60 2af2 s GLN 22 Ca 0.10 -0.47 -0.20 0.00 -2.00 0.00 0.00 55.36 52.79 2af2 s GLN 22 Cb -0.17 -3.02 -0.20 0.00 0.80 0.00 0.00 33.01 30.41 2af2 s GLN 22 CO 0.12 0.23 0.25 1.57 -0.50 0.00 0.00 175.29 176.95 2af2 h LYS 23 N 6.79 0.03 -5.21 1.67 -0.00 -1.90 0.57 116.57 118.52 2af2 h LYS 23 Ca -0.33 -0.05 -0.53 0.00 -0.00 0.00 0.00 60.65 59.74 2af2 h LYS 23 Cb 1.18 0.02 -0.31 0.00 -0.00 0.00 0.00 32.23 33.12 2af2 h LYS 23 CO 0.65 1.02 -0.82 -1.21 -0.00 0.00 0.00 179.45 179.09 2af2 s GLU 24 N -2.38 1.51 0.00 0.07 8.01 -1.26 -4.75 118.70 119.89 2af2 s GLU 24 Ca -0.28 -0.54 0.04 0.00 0.01 0.00 0.00 54.97 54.20 2af2 s GLU 24 Cb 0.06 -1.35 0.23 0.00 -4.31 0.00 0.00 34.13 28.75 2af2 s GLU 24 CO 0.61 0.24 0.68 0.43 0.01 0.00 0.00 175.26 177.24 2af2 n SER 25 N 3.07 0.00 -0.00 -0.19 7.64 -1.26 -1.25 113.62 121.62 2af2 n SER 25 Ca -0.17 -0.14 0.03 0.00 1.01 0.00 0.00 58.87 59.60 2af2 n SER 25 Cb 0.54 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.70 2af2 n SER 25 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2af2 n ASN 26 N -0.97 0.30 -4.35 6.43 3.02 -1.26 -4.28 115.26 114.16 2af2 n ASN 26 Ca 0.03 -0.65 -0.17 0.00 -0.03 0.00 0.00 54.58 53.76 2af2 n ASN 26 Cb 0.01 0.99 0.07 0.00 -0.61 0.00 0.00 39.78 40.24 2af2 n ASN 26 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2af2 n GLY 27 N 1.14 1.55 3.78 7.41 0.00 -0.38 -4.90 105.19 113.78 2af2 n GLY 27 Ca 0.01 -2.15 -0.31 0.00 0.00 0.00 0.00 46.02 43.57 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 -4.34 2.37 -0.02 1.61 0.04 -1.26 -4.30 135.00 129.10 2af2 s PRO 28 Ca 0.52 1.12 0.04 0.00 0.04 0.00 0.00 61.00 62.72 2af2 s PRO 28 Cb -0.04 -1.91 -0.01 0.00 0.04 0.00 0.00 34.50 32.58 2af2 s PRO 28 CO 0.34 -1.55 -0.13 0.08 0.04 0.00 0.00 177.00 175.78 2af2 s VAL 29 N -2.93 1.04 -0.23 -0.36 1.01 -1.21 -4.60 120.40 113.13 2af2 s VAL 29 Ca 0.61 -0.54 -0.23 0.00 0.00 0.00 0.00 61.98 61.82 2af2 s VAL 29 Cb -0.17 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.32 2af2 s VAL 29 CO 0.56 0.30 0.76 -0.54 0.00 0.00 0.00 175.10 176.18 2af2 s LYS 30 N -0.11 4.19 -0.22 2.72 1.02 -1.08 -1.87 119.74 124.40 2af2 s LYS 30 Ca 0.01 0.83 -0.05 0.00 0.02 0.00 0.00 55.97 56.79 2af2 s LYS 30 Cb -0.07 -3.62 -0.02 0.00 -0.52 0.00 0.00 37.83 33.60 2af2 s LYS 30 CO 0.00 -0.43 -0.01 0.08 -0.92 0.00 0.00 175.35 174.08 2af2 s VAL 31 N 2.53 3.71 0.16 3.17 1.01 0.14 -0.80 120.40 130.32 2af2 s VAL 31 Ca 0.33 -0.38 -0.10 0.00 0.00 0.00 0.00 61.98 61.83 2af2 s VAL 31 Cb -0.16 -2.70 -0.01 0.00 0.00 0.00 0.00 36.38 33.52 2af2 s VAL 31 CO 0.09 0.41 0.30 -1.66 0.00 0.00 0.00 175.10 174.24 2af2 s TRP 32 N 1.36 0.34 0.00 5.22 -2.14 -0.42 -0.64 118.94 122.66 2af2 s TRP 32 Ca 0.04 -0.71 0.00 0.00 2.66 0.00 0.00 56.10 58.09 2af2 s TRP 32 Cb -0.15 -0.02 0.00 0.00 -3.10 0.00 0.00 33.47 30.21 2af2 s TRP 32 CO -0.00 -0.73 0.00 0.41 -2.66 0.00 0.00 176.95 173.97 2af2 n GLY 33 N -0.22 -0.04 3.21 3.67 0.00 -0.73 -0.08 105.19 111.01 2af2 n GLY 33 Ca -0.08 -2.28 -0.12 0.00 0.00 0.00 0.00 46.02 43.54 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 -2.65 0.62 -0.08 1.61 1.04 -1.26 -0.09 113.70 112.89 2af2 s SER 34 Ca 0.00 -1.28 0.03 0.00 0.48 0.00 0.00 55.95 55.17 2af2 s SER 34 Cb 0.00 0.26 0.01 0.00 0.10 0.00 0.00 66.02 66.38 2af2 s SER 34 CO 0.00 -0.73 -0.17 -0.63 0.98 0.00 0.00 173.24 172.69 2af2 s ILE 35 N -3.94 1.52 0.26 -1.02 1.09 -0.26 -1.06 121.20 117.78 2af2 s ILE 35 Ca 0.31 -0.70 0.10 0.00 -1.10 0.00 0.00 60.65 59.26 2af2 s ILE 35 Cb 0.07 -1.35 -0.04 0.00 -1.06 0.00 0.00 42.46 40.08 2af2 s ILE 35 CO 0.07 0.44 -0.08 -1.59 -0.10 0.00 0.00 174.94 173.69 2af2 s LYS 36 N 0.56 2.07 0.00 2.79 -2.85 -0.02 -1.43 119.74 120.87 2af2 s LYS 36 Ca -0.16 -1.49 0.00 0.00 -1.00 0.00 0.00 55.97 53.32 2af2 s LYS 36 Cb -0.17 -2.05 0.00 0.00 -2.06 0.00 0.00 37.83 33.56 2af2 s LYS 36 CO 0.05 0.37 0.00 0.41 0.10 0.00 0.00 175.35 176.28 2af2 n GLY 37 N -0.65 0.83 3.73 0.59 0.00 0.22 -3.39 105.19 106.52 2af2 n GLY 37 Ca -0.07 0.00 -0.35 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 3.39 0.61 0.99 1.02 -1.25 -4.89 118.68 118.55 2af2 s LEU 38 Ca 0.00 2.38 -0.12 0.00 0.02 0.00 0.00 54.13 56.40 2af2 s LEU 38 Cb 0.00 -4.59 -0.04 0.00 0.02 0.00 0.00 46.19 41.58 2af2 s LEU 38 CO 0.00 -2.12 1.03 0.28 0.02 0.00 0.00 176.35 175.56 2af2 s THR 39 N -1.88 4.50 0.43 5.49 -1.32 -1.26 -4.56 115.64 117.04 2af2 s THR 39 Ca 0.75 0.90 -0.25 0.00 -1.21 0.00 0.00 61.69 61.89 2af2 s THR 39 Cb -0.30 -3.73 -0.10 0.00 -1.51 0.00 0.00 72.50 66.87 2af2 s THR 39 CO 0.43 -0.97 1.16 -1.84 -2.21 0.00 0.00 174.62 171.19 2af2 n GLU 40 N -2.55 1.64 0.00 7.08 0.28 -1.26 -4.57 120.64 121.26 2af2 n GLU 40 Ca 0.07 0.59 0.00 0.00 -0.16 0.00 0.00 57.16 57.65 2af2 n GLU 40 Cb 0.54 -2.25 0.00 0.00 1.43 0.00 0.00 31.44 31.16 2af2 n GLU 40 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2af2 n GLY 41 N 0.98 -2.15 3.76 -1.84 0.00 -0.76 -4.90 105.19 100.29 2af2 n GLY 41 Ca 0.08 -2.17 -0.41 0.00 0.00 0.00 0.00 46.02 43.53 2af2 n GLY 41 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2af2 s LEU 42 N 0.00 4.44 -0.11 0.99 1.02 -1.26 -1.01 118.68 122.75 2af2 s LEU 42 Ca 0.00 2.59 -0.04 0.00 0.02 0.00 0.00 54.13 56.70 2af2 s LEU 42 Cb 0.00 -3.64 0.06 0.00 0.02 0.00 0.00 46.19 42.63 2af2 s LEU 42 CO 0.00 -0.48 0.22 -1.00 0.02 0.00 0.00 176.35 175.11 2af2 s HIS 43 N -0.96 -0.32 0.19 0.29 3.76 0.12 -2.00 115.29 116.37 2af2 s HIS 43 Ca 0.49 0.82 -0.30 0.00 -0.15 0.00 0.00 55.06 55.93 2af2 s HIS 43 Cb -0.38 -0.12 -0.08 0.00 1.11 0.00 0.00 32.58 33.10 2af2 s HIS 43 CO 0.49 -0.32 1.23 0.20 -0.85 0.00 0.00 174.74 175.50 2af2 s GLY 44 N 2.33 2.62 -0.10 -2.22 0.00 -0.23 -0.12 107.32 109.58 2af2 s GLY 44 Ca 0.02 1.01 -0.00 0.00 0.00 0.00 0.00 44.72 45.74 2af2 s GLY 44 CO -0.07 1.92 -0.07 -0.11 0.00 0.00 0.00 173.10 174.77 2af2 s PHE 45 N -0.03 1.35 0.07 1.90 -0.71 -0.52 -0.51 117.98 119.53 2af2 s PHE 45 Ca 0.54 -0.64 -0.19 0.00 -1.04 0.00 0.00 56.93 55.60 2af2 s PHE 45 Cb -0.34 -1.15 0.04 0.00 -1.21 0.00 0.00 43.02 40.36 2af2 s PHE 45 CO 0.37 -0.47 0.44 -3.38 -1.34 0.00 0.00 175.22 170.85 2af2 s HIS 46 N 1.67 -0.30 0.16 3.49 -3.43 -0.91 -2.48 115.29 113.49 2af2 s HIS 46 Ca 0.04 0.21 -0.30 0.00 -0.80 0.00 0.00 55.06 54.21 2af2 s HIS 46 Cb -0.13 0.27 -0.07 0.00 -1.43 0.00 0.00 32.58 31.22 2af2 s HIS 46 CO -0.07 -0.63 1.05 0.54 -2.00 0.00 0.00 174.74 173.64 2af2 s VAL 47 N -2.81 4.07 0.44 -5.38 0.11 -1.13 -1.51 120.40 114.19 2af2 s VAL 47 Ca -0.03 1.77 0.07 0.00 -2.93 0.00 0.00 61.98 60.85 2af2 s VAL 47 Cb -0.00 -4.13 -0.03 0.00 -1.53 0.00 0.00 36.38 30.69 2af2 s VAL 47 CO -0.05 0.30 0.24 -1.00 -3.33 0.00 0.00 175.10 171.26 2af2 s HIS 48 N -0.18 2.41 -0.48 1.54 3.76 0.70 -3.57 115.29 119.47 2af2 s HIS 48 Ca 0.48 -0.64 -0.46 0.00 -0.15 0.00 0.00 55.06 54.29 2af2 s HIS 48 Cb -0.27 -1.97 -0.20 0.00 1.11 0.00 0.00 32.58 31.25 2af2 s HIS 48 CO 0.33 0.03 1.63 -1.91 -0.85 0.00 0.00 174.74 173.96 2af2 n GLU 49 N -1.38 0.10 -0.19 1.40 4.07 0.50 -3.70 120.64 121.45 2af2 n GLU 49 Ca -0.02 0.04 0.00 0.00 -0.06 0.00 0.00 57.16 57.12 2af2 n GLU 49 Cb 0.64 -1.55 0.00 0.00 -0.06 0.00 0.00 31.44 30.47 2af2 n GLU 49 CO 0.00 0.00 0.00 1.97 -0.06 0.00 0.00 177.13 179.04 2af2 n PHE 50 N 4.20 -1.58 0.00 4.31 -1.74 -1.26 -4.55 117.46 116.84 2af2 n PHE 50 Ca 0.31 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 57.20 2af2 n PHE 50 Cb -0.04 0.00 0.00 0.00 1.52 0.00 0.00 39.48 40.96 2af2 n PHE 50 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2af2 n GLY 51 N 5.00 2.09 2.52 4.97 0.00 -1.23 -4.61 105.19 113.94 2af2 n GLY 51 Ca 0.00 -0.45 -0.18 0.00 0.00 0.00 0.00 46.02 45.40 2af2 n GLY 51 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2af2 n ASP 52 N 4.24 3.28 0.00 1.61 5.75 -1.26 -4.78 116.55 125.39 2af2 n ASP 52 Ca 0.00 -3.20 0.00 0.00 -0.01 0.00 0.00 54.79 51.58 2af2 n ASP 52 Cb 0.00 -0.47 0.00 0.00 -1.03 0.00 0.00 41.12 39.62 2af2 n ASP 52 CO 0.00 0.00 0.00 -0.46 -0.11 0.00 0.00 177.20 176.63 2af2 n ASN 53 N -0.37 0.00 -1.24 -1.12 0.23 -1.26 -5.02 115.26 106.48 2af2 n ASN 53 Ca 0.26 0.00 -0.01 0.00 -0.53 0.00 0.00 54.58 54.29 2af2 n ASN 53 Cb 0.77 0.00 -0.00 0.00 -2.08 0.00 0.00 39.78 38.46 2af2 n ASN 53 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 2af2 n THR 54 N -0.57 0.00 -1.05 5.53 5.66 -1.26 -4.17 114.28 118.42 2af2 n THR 54 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2af2 n THR 54 Cb 0.00 -0.02 0.00 0.00 -1.55 0.00 0.00 70.33 68.76 2af2 n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2af2 n ALA 55 N -0.47 0.00 0.00 1.79 0.00 -1.26 -4.43 120.51 116.13 2af2 n ALA 55 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2af2 n ALA 55 Cb 0.03 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.48 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 0.00 -0.93 0.50 0.00 0.00 -1.26 -3.31 105.19 100.19 2af2 n GLY 56 Ca 0.00 -1.54 0.30 0.00 0.00 0.00 0.00 46.02 44.78 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 -3.76 0.89 -1.51 0.00 5.66 -1.26 -3.04 114.28 111.25 2af2 n THR 58 Ca 0.21 0.73 0.00 0.00 -3.05 0.00 0.00 64.05 61.93 2af2 n THR 58 Cb 1.19 -1.73 0.00 0.00 -1.55 0.00 0.00 70.33 68.25 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 -2.11 0.00 -4.33 1.09 2.88 0.93 -5.10 113.62 106.98 2af2 n SER 59 Ca -0.01 -1.00 -0.23 0.00 -1.33 0.00 0.00 58.87 56.30 2af2 n SER 59 Cb 0.17 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.53 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 0.00 2.53 0.10 -1.46 0.00 -0.42 -4.73 121.76 117.79 2af2 s ALA 60 Ca 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 51.96 50.25 2af2 s ALA 60 Cb 0.00 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.84 2af2 s ALA 60 CO 0.00 -0.33 0.00 0.41 0.00 0.00 0.00 175.76 175.84 2af2 n GLY 61 N -0.76 1.80 0.01 0.00 0.00 -1.26 -4.61 105.19 100.38 2af2 n GLY 61 Ca -0.04 -1.87 -0.00 0.00 0.00 0.00 0.00 46.02 44.12 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 0.00 -0.13 -1.77 1.61 -0.04 -1.26 -4.20 135.00 129.21 2af2 n PRO 62 Ca 0.00 -0.01 -0.42 0.00 -0.04 0.00 0.00 63.50 63.03 2af2 n PRO 62 Cb 0.00 -0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.43 2af2 n PRO 62 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2af2 s HIS 63 N -1.01 1.48 0.56 0.54 3.76 -1.26 -0.37 115.29 118.99 2af2 s HIS 63 Ca 0.00 0.05 -0.21 0.00 -0.15 0.00 0.00 55.06 54.75 2af2 s HIS 63 Cb -0.00 -4.08 -0.04 0.00 1.11 0.00 0.00 32.58 29.57 2af2 s HIS 63 CO 0.00 -4.52 1.34 -0.59 -0.85 0.00 0.00 174.74 170.12 2af2 s PHE 64 N 5.55 2.26 -0.91 1.40 -0.71 -1.23 -4.82 117.98 119.52 2af2 s PHE 64 Ca 0.87 1.39 -0.02 0.00 -1.04 0.00 0.00 56.93 58.13 2af2 s PHE 64 Cb -0.36 -3.78 0.22 0.00 -1.21 0.00 0.00 43.02 37.90 2af2 s PHE 64 CO 0.36 -2.88 0.81 0.09 -1.34 0.00 0.00 175.22 172.26 2af2 n ASN 65 N -1.15 4.28 0.06 1.98 3.02 -1.26 -4.78 115.26 117.40 2af2 n ASN 65 Ca 0.11 -3.14 0.13 0.00 -0.03 0.00 0.00 54.58 51.65 2af2 n ASN 65 Cb 0.46 -1.06 0.49 0.00 -0.61 0.00 0.00 39.78 39.06 2af2 n ASN 65 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2af2 n PRO 66 N 2.26 0.14 0.00 3.52 -0.04 -1.26 -4.18 135.00 135.43 2af2 n PRO 66 Ca 0.22 0.14 0.00 0.00 -0.04 0.00 0.00 63.50 63.82 2af2 n PRO 66 Cb 0.37 -1.67 0.00 0.00 -0.04 0.00 0.00 33.50 32.16 2af2 n PRO 66 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2af2 n LEU 67 N -1.91 0.15 -3.09 1.53 4.77 -1.26 -5.10 117.00 112.09 2af2 n LEU 67 Ca 0.06 -0.15 -0.01 0.00 -0.03 0.00 0.00 56.01 55.87 2af2 n LEU 67 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 2af2 n LEU 67 CO 0.27 0.04 0.31 -1.20 -1.33 0.00 0.00 177.39 175.49 2af2 n SER 68 N -0.02 -7.66 -3.18 -1.43 7.64 -1.26 -4.98 113.62 102.74 2af2 n SER 68 Ca 0.00 -0.11 -0.11 0.00 1.01 0.00 0.00 58.87 59.67 2af2 n SER 68 Cb 0.29 -5.13 -0.01 0.00 -1.01 0.00 0.00 64.21 58.36 2af2 n SER 68 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2af2 s ARG 69 N -3.09 2.05 0.99 1.43 1.70 -1.26 -5.15 118.95 115.62 2af2 s ARG 69 Ca 0.00 -1.50 -0.16 0.00 -0.47 0.00 0.00 55.73 53.60 2af2 s ARG 69 Cb -0.00 0.55 0.21 0.00 -0.57 0.00 0.00 34.95 35.14 2af2 s ARG 69 CO 0.76 -0.92 1.30 0.15 -1.08 0.00 0.00 175.30 175.51 2af2 s LYS 70 N -2.79 0.41 0.27 3.89 3.01 -1.26 -4.82 119.74 118.44 2af2 s LYS 70 Ca 0.21 -0.37 0.11 0.00 -1.01 0.00 0.00 55.97 54.90 2af2 s LYS 70 Cb -0.03 -1.82 -0.05 0.00 -1.01 0.00 0.00 37.83 34.92 2af2 s LYS 70 CO 0.14 -2.57 -0.09 -1.58 0.51 0.00 0.00 175.35 171.76 2af2 s HIS 71 N -3.79 2.53 0.00 3.18 5.65 -1.26 -3.13 115.29 118.48 2af2 s HIS 71 Ca 0.74 -0.27 0.00 0.00 0.25 0.00 0.00 55.06 55.78 2af2 s HIS 71 Cb -0.04 -1.12 0.00 0.00 -1.18 0.00 0.00 32.58 30.24 2af2 s HIS 71 CO 0.53 0.66 0.00 0.41 -0.65 0.00 0.00 174.74 175.69 2af2 n GLY 72 N -0.75 0.96 0.00 1.59 0.00 -1.26 -1.95 105.19 103.77 2af2 n GLY 72 Ca -0.06 -0.45 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 2.85 0.26 -0.02 0.00 -1.10 -4.37 105.19 102.80 2af2 n GLY 73 Ca 0.00 -0.66 0.16 0.00 0.00 0.00 0.00 46.02 45.51 2af2 n GLY 73 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2af2 h PRO 74 N 0.00 0.00 0.00 1.61 0.11 -1.93 -3.38 132.00 128.41 2af2 h PRO 74 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2af2 h PRO 74 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2af2 h PRO 74 CO 0.00 0.00 0.00 0.36 -0.21 0.00 0.00 178.00 178.15 2af2 n LYS 75 N -3.09 0.00 -5.14 1.05 -0.00 -1.26 -5.09 118.16 104.63 2af2 n LYS 75 Ca 0.02 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.04 2af2 n LYS 75 Cb 0.38 -0.30 -0.16 0.00 -0.00 0.00 0.00 35.03 34.96 2af2 n LYS 75 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2af2 s ASP 76 N 0.00 2.69 0.00 -5.58 2.15 -1.26 -5.06 116.67 109.61 2af2 s ASP 76 Ca 0.00 -0.42 0.22 0.00 0.43 0.00 0.00 52.55 52.79 2af2 s ASP 76 Cb 0.00 -0.31 -0.01 0.00 -0.30 0.00 0.00 42.92 42.31 2af2 s ASP 76 CO 0.00 0.28 1.06 -0.62 -0.17 0.00 0.00 175.17 175.72 2af2 n GLU 77 N 2.52 0.17 0.00 4.34 4.71 -1.26 -2.73 120.64 128.39 2af2 n GLU 77 Ca -0.16 -0.13 0.00 0.00 -0.01 0.00 0.00 57.16 56.87 2af2 n GLU 77 Cb 0.52 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.45 2af2 n GLU 77 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2af2 n GLU 78 N -1.31 0.00 -0.96 3.49 -0.58 -1.26 -5.05 120.64 114.98 2af2 n GLU 78 Ca 0.05 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.79 2af2 n GLU 78 Cb 0.35 -0.33 0.00 0.00 -0.57 0.00 0.00 31.44 30.89 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 -0.47 -0.01 -1.83 3.49 0.63 -1.18 -4.94 116.66 112.34 2af2 n ARG 79 Ca 0.00 0.51 -0.42 0.00 -0.92 0.00 0.00 57.85 57.02 2af2 n ARG 79 Cb 0.00 -0.47 -0.03 0.00 0.45 0.00 0.00 32.46 32.41 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 -0.00 2.77 0.43 -0.14 3.76 -1.24 -4.87 115.29 115.99 2af2 s HIS 80 Ca 0.00 0.39 0.31 0.00 -0.15 0.00 0.00 55.06 55.60 2af2 s HIS 80 Cb 0.00 -4.04 1.47 0.00 1.11 0.00 0.00 32.58 31.12 2af2 s HIS 80 CO 0.00 -4.01 1.56 1.55 -0.85 0.00 0.00 174.74 172.99 2af2 n VAL 81 N 4.21 -0.28 -0.93 -0.90 3.14 -1.26 -0.76 118.33 121.56 2af2 n VAL 81 Ca 0.15 1.83 0.08 0.00 -2.96 0.00 0.00 64.34 63.45 2af2 n VAL 81 Cb 0.38 -3.00 0.32 0.00 -1.06 0.00 0.00 33.84 30.47 2af2 n VAL 81 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2af2 n GLY 82 N -1.48 3.58 3.75 7.55 0.00 -1.26 -4.63 105.19 112.70 2af2 n GLY 82 Ca 0.40 -0.98 -0.40 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.45 7.51 0.34 1.61 1.01 0.07 -2.83 116.67 122.91 2af2 s ASP 83 Ca 0.47 2.04 0.00 0.00 0.71 0.00 0.00 52.55 55.76 2af2 s ASP 83 Cb 0.36 -2.61 0.00 0.00 1.01 0.00 0.00 42.92 41.68 2af2 s ASP 83 CO 0.12 0.05 0.02 0.18 0.21 0.00 0.00 175.17 175.75 2af2 n LEU 84 N 1.32 0.00 0.00 1.23 4.32 -1.04 -4.88 117.00 117.96 2af2 n LEU 84 Ca -0.01 -2.10 0.00 0.00 -0.02 0.00 0.00 56.01 53.88 2af2 n LEU 84 Cb 0.47 0.22 0.00 0.00 -1.62 0.00 0.00 43.42 42.48 2af2 n LEU 84 CO 0.51 -0.31 0.00 0.61 -1.22 0.00 0.00 177.39 176.98 2af2 n GLY 85 N 0.96 0.96 3.89 -0.72 0.00 -1.26 -4.67 105.19 104.35 2af2 n GLY 85 Ca -0.13 -1.00 -0.32 0.00 0.00 0.00 0.00 46.02 44.56 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 6.28 0.08 1.61 2.20 -1.26 -1.44 114.94 121.40 2af2 s ASN 86 Ca 0.00 0.29 0.03 0.00 -0.94 0.00 0.00 52.86 52.24 2af2 s ASN 86 Cb 0.00 -1.94 -0.04 0.00 -2.00 0.00 0.00 41.25 37.27 2af2 s ASN 86 CO 0.00 0.23 0.08 0.54 -2.94 0.00 0.00 177.10 175.01 2af2 s VAL 87 N -1.37 4.53 -0.08 3.54 0.11 0.83 -4.86 120.40 123.10 2af2 s VAL 87 Ca 0.29 -0.75 -0.01 0.00 -2.93 0.00 0.00 61.98 58.58 2af2 s VAL 87 Cb -0.13 -3.18 -0.03 0.00 -1.53 0.00 0.00 36.38 31.51 2af2 s VAL 87 CO 0.21 0.13 -0.02 -0.89 -3.33 0.00 0.00 175.10 171.21 2af2 s THR 88 N -1.38 4.14 0.03 5.04 2.01 -1.26 0.11 115.64 124.32 2af2 s THR 88 Ca 0.29 -0.33 -0.18 0.00 0.31 0.00 0.00 61.69 61.78 2af2 s THR 88 Cb -0.12 -2.73 -0.06 0.00 0.01 0.00 0.00 72.50 69.59 2af2 s THR 88 CO 0.22 0.59 0.52 0.00 -0.69 0.00 0.00 174.62 175.26 2af2 s ALA 89 N -0.88 3.60 0.38 7.40 0.00 -0.18 -4.25 121.76 127.83 2af2 s ALA 89 Ca 0.13 -0.05 -0.23 0.00 0.00 0.00 0.00 51.96 51.82 2af2 s ALA 89 Cb -0.11 -2.59 -0.10 0.00 0.00 0.00 0.00 23.12 20.32 2af2 s ALA 89 CO 0.03 0.36 0.93 0.34 0.00 0.00 0.00 175.76 177.42 2af2 s ASP 90 N -0.87 7.10 0.64 0.00 -1.08 0.31 -1.83 116.67 120.93 2af2 s ASP 90 Ca 0.28 1.73 0.20 0.00 -0.52 0.00 0.00 52.55 54.24 2af2 s ASP 90 Cb -0.18 -2.55 0.99 0.00 -1.46 0.00 0.00 42.92 39.72 2af2 s ASP 90 CO 0.17 -0.23 1.53 0.07 0.52 0.00 0.00 175.17 177.23 2af2 h LYS 91 N 2.47 0.00 0.00 4.34 5.09 -1.93 0.98 116.57 127.51 2af2 h LYS 91 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.26 2af2 h LYS 91 Cb 1.18 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.51 2af2 h LYS 91 CO 0.63 0.00 0.00 -0.25 -2.09 0.00 0.00 179.45 177.74 2af2 n ASP 92 N -3.01 0.00 0.00 7.07 8.00 -1.26 -4.88 116.55 122.47 2af2 n ASP 92 Ca 0.06 -0.83 0.00 0.00 0.71 0.00 0.00 54.79 54.73 2af2 n ASP 92 Cb 0.84 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.94 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 0.60 1.62 3.01 0.44 0.00 0.31 -4.97 105.19 106.21 2af2 n GLY 93 Ca 0.19 -0.16 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.02 -0.39 1.61 0.11 -1.05 -0.61 120.40 118.04 2af2 s VAL 94 Ca 0.00 0.09 -0.14 0.00 -2.93 0.00 0.00 61.98 59.00 2af2 s VAL 94 Cb 0.00 -0.27 0.02 0.00 -1.53 0.00 0.00 36.38 34.59 2af2 s VAL 94 CO 0.00 0.04 0.27 0.00 -3.33 0.00 0.00 175.10 172.08 2af2 s ALA 95 N 0.69 3.43 -0.10 1.54 0.00 -0.51 -0.53 121.76 126.28 2af2 s ALA 95 Ca -0.05 -1.68 -0.03 0.00 0.00 0.00 0.00 51.96 50.20 2af2 s ALA 95 Cb -0.06 -2.79 -0.03 0.00 0.00 0.00 0.00 23.12 20.23 2af2 s ALA 95 CO -0.04 -1.39 0.01 0.34 0.00 0.00 0.00 175.76 174.68 2af2 s ASP 96 N 1.65 5.25 0.07 0.00 2.15 -1.26 -1.10 116.67 123.43 2af2 s ASP 96 Ca 0.04 0.11 0.08 0.00 0.43 0.00 0.00 52.55 53.22 2af2 s ASP 96 Cb -0.19 -1.57 -0.04 0.00 -0.30 0.00 0.00 42.92 40.83 2af2 s ASP 96 CO 0.09 0.34 -0.19 0.54 -0.17 0.00 0.00 175.17 175.78 2af2 s VAL 97 N -0.63 2.74 -0.41 1.11 0.11 0.87 -4.87 120.40 119.33 2af2 s VAL 97 Ca 0.10 -1.34 0.08 0.00 -2.93 0.00 0.00 61.98 57.88 2af2 s VAL 97 Cb -0.12 -2.19 0.18 0.00 -1.53 0.00 0.00 36.38 32.72 2af2 s VAL 97 CO 0.02 0.24 0.61 -0.94 -3.33 0.00 0.00 175.10 171.70 2af2 s SER 98 N -1.71 -1.30 0.10 3.54 1.04 -1.25 -1.77 113.70 112.34 2af2 s SER 98 Ca 0.16 -0.85 0.04 0.00 0.48 0.00 0.00 55.95 55.78 2af2 s SER 98 Cb -0.10 1.84 -0.04 0.00 0.10 0.00 0.00 66.02 67.82 2af2 s SER 98 CO 0.07 -0.18 -0.11 -0.63 0.98 0.00 0.00 173.24 173.37 2af2 s ILE 99 N 1.82 0.99 -0.23 -1.02 1.09 0.19 -5.01 121.20 119.03 2af2 s ILE 99 Ca 0.16 -1.62 0.00 0.00 -1.10 0.00 0.00 60.65 58.09 2af2 s ILE 99 Cb -0.05 -1.35 0.03 0.00 -1.06 0.00 0.00 42.46 40.03 2af2 s ILE 99 CO -0.07 -0.52 -0.12 -0.70 -0.10 0.00 0.00 174.94 173.43 2af2 s GLU 100 N -2.70 2.79 -0.24 2.79 2.12 -1.26 0.24 118.70 122.44 2af2 s GLU 100 Ca 0.05 -0.99 0.00 0.00 0.36 0.00 0.00 54.97 54.40 2af2 s GLU 100 Cb -0.04 -2.82 0.04 0.00 0.26 0.00 0.00 34.13 31.57 2af2 s GLU 100 CO 0.01 -0.36 -0.10 0.34 -0.54 0.00 0.00 175.26 174.60 2af2 s ASP 101 N 1.27 4.12 -0.83 -1.70 -1.08 -0.78 -4.99 116.67 112.69 2af2 s ASP 101 Ca 0.00 -0.99 -0.07 0.00 -0.52 0.00 0.00 52.55 50.97 2af2 s ASP 101 Cb -0.16 -1.59 -0.08 0.00 -1.46 0.00 0.00 42.92 39.63 2af2 s ASP 101 CO -0.08 -0.12 3.03 -1.54 0.52 0.00 0.00 175.17 176.98 2af2 n SER 102 N 4.59 7.08 0.00 -0.34 3.41 -1.26 -3.30 113.62 123.80 2af2 n SER 102 Ca -0.17 -2.77 0.00 0.00 -0.26 0.00 0.00 58.87 55.67 2af2 n SER 102 Cb 0.46 -1.41 0.00 0.00 -0.26 0.00 0.00 64.21 63.00 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 2.36 0.00 -4.03 -3.33 3.14 -1.26 -4.98 118.33 110.22 2af2 n VAL 103 Ca 0.59 0.00 -0.08 0.00 -2.96 0.00 0.00 64.34 61.88 2af2 n VAL 103 Cb 0.51 0.21 -0.09 0.00 -1.06 0.00 0.00 33.84 33.42 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 0.15 0.04 1.55 -5.25 -1.25 -4.88 121.20 111.56 2af2 s ILE 104 Ca 0.00 -1.62 -0.07 0.00 -0.99 0.00 0.00 60.65 57.96 2af2 s ILE 104 Cb 0.00 -1.64 -0.01 0.00 2.95 0.00 0.00 42.46 43.77 2af2 s ILE 104 CO 0.00 -0.70 0.14 -0.44 -1.79 0.00 0.00 174.94 172.15 2af2 s SER 105 N -2.94 0.12 -1.10 4.36 0.01 -1.26 -3.91 113.70 108.98 2af2 s SER 105 Ca 0.12 -0.49 -0.07 0.00 1.31 0.00 0.00 55.95 56.82 2af2 s SER 105 Cb 0.06 0.26 -0.06 0.00 0.21 0.00 0.00 66.02 66.50 2af2 s SER 105 CO -0.06 -0.55 2.94 0.18 0.41 0.00 0.00 173.24 176.16 2af2 n LEU 106 N 0.65 7.65 -0.00 2.44 4.32 -1.26 -2.47 117.00 128.33 2af2 n LEU 106 Ca -0.18 -4.23 -0.04 0.00 -0.02 0.00 0.00 56.01 51.53 2af2 n LEU 106 Cb 0.59 -1.45 -0.01 0.00 -1.62 0.00 0.00 43.42 40.93 2af2 n LEU 106 CO 0.23 1.96 -0.39 -1.54 -1.22 0.00 0.00 177.39 176.43 2af2 n SER 107 N 2.62 0.99 0.00 -1.43 3.41 -1.26 -4.93 113.62 113.02 2af2 n SER 107 Ca 0.65 0.15 0.00 0.00 -0.26 0.00 0.00 58.87 59.40 2af2 n SER 107 Cb 0.41 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 2af2 n SER 107 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2af2 n GLY 108 N 2.82 0.50 0.31 5.00 0.00 -1.26 -4.77 105.19 107.80 2af2 n GLY 108 Ca -0.08 -0.22 0.04 0.00 0.00 0.00 0.00 46.02 45.77 2af2 n GLY 108 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 2af2 h ASP 109 N 0.00 0.46 -0.00 1.61 3.04 -1.96 0.83 116.42 120.40 2af2 h ASP 109 Ca 0.00 -0.01 0.00 0.00 -3.24 0.00 0.00 57.03 53.78 2af2 h ASP 109 Cb 0.00 -0.11 0.00 0.00 -1.04 0.00 0.00 39.33 38.18 2af2 h ASP 109 CO 0.00 0.33 0.00 1.41 -2.04 0.00 0.00 179.24 178.94 2af2 n HIS 110 N -4.48 0.00 0.00 4.15 8.25 -1.26 -4.86 115.22 117.02 2af2 n HIS 110 Ca 0.03 -0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.49 2af2 n HIS 110 Cb 0.07 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.18 2af2 n HIS 110 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2af2 n SER 111 N -0.95 0.00 0.00 0.41 7.64 0.20 -4.81 113.62 116.11 2af2 n SER 111 Ca 0.22 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.10 2af2 n SER 111 Cb 0.10 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 2af2 n SER 111 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 2af2 n ILE 112 N 0.00 0.00 0.00 0.44 -5.35 -0.69 -4.80 119.36 108.96 2af2 n ILE 112 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2af2 n ILE 112 Cb 0.00 -0.00 0.00 0.00 -1.74 0.00 0.00 39.64 37.90 2af2 n ILE 112 CO 0.00 0.00 0.00 -0.38 -1.76 0.00 0.00 176.55 174.41 2af2 n ILE 113 N 0.00 0.00 0.92 7.28 2.08 -1.26 -0.92 119.36 127.46 2af2 n ILE 113 Ca 0.00 0.00 0.06 0.00 0.56 0.00 0.00 62.75 63.37 2af2 n ILE 113 Cb 0.00 0.00 0.33 0.00 -0.75 0.00 0.00 39.64 39.22 2af2 n ILE 113 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2af2 n GLY 114 N 0.00 -0.46 3.83 7.39 0.00 -1.26 -1.46 105.19 113.22 2af2 n GLY 114 Ca 0.00 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 2af2 n GLY 114 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2af2 s ARG 115 N -2.00 4.04 -0.14 1.61 3.00 -0.10 -3.51 118.95 121.84 2af2 s ARG 115 Ca 0.17 1.07 0.00 0.00 0.00 0.00 0.00 55.73 56.97 2af2 s ARG 115 Cb 0.08 -2.15 0.02 0.00 0.00 0.00 0.00 34.95 32.90 2af2 s ARG 115 CO 0.13 -0.20 -0.12 -0.08 0.00 0.00 0.00 175.30 175.03 2af2 s THR 116 N -2.37 1.45 -0.04 0.02 -1.32 -1.24 -2.62 115.64 109.52 2af2 s THR 116 Ca 0.61 -0.58 -0.25 0.00 -1.21 0.00 0.00 61.69 60.26 2af2 s THR 116 Cb -0.10 -1.40 -0.04 0.00 -1.51 0.00 0.00 72.50 69.46 2af2 s THR 116 CO 0.22 0.42 0.78 -0.22 -2.21 0.00 0.00 174.62 173.61 2af2 s LEU 117 N 1.53 4.34 -0.03 9.08 2.96 -0.19 -0.21 118.68 136.16 2af2 s LEU 117 Ca 0.05 1.33 0.05 0.00 -0.22 0.00 0.00 54.13 55.34 2af2 s LEU 117 Cb -0.13 -3.22 -0.01 0.00 0.50 0.00 0.00 46.19 43.33 2af2 s LEU 117 CO -0.10 -0.14 -0.18 0.54 -1.32 0.00 0.00 176.35 175.14 2af2 s VAL 118 N 0.80 1.46 0.19 1.68 0.11 -0.57 -1.40 120.40 122.67 2af2 s VAL 118 Ca 0.41 -0.77 0.04 0.00 -2.93 0.00 0.00 61.98 58.74 2af2 s VAL 118 Cb -0.19 -1.23 -0.03 0.00 -1.53 0.00 0.00 36.38 33.39 2af2 s VAL 118 CO 0.21 0.42 0.26 -0.69 -3.33 0.00 0.00 175.10 171.97 2af2 s VAL 119 N -0.26 5.03 0.05 2.04 1.01 -1.12 -2.13 120.40 125.01 2af2 s VAL 119 Ca 0.03 -0.94 0.05 0.00 0.00 0.00 0.00 61.98 61.12 2af2 s VAL 119 Cb -0.09 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.62 2af2 s VAL 119 CO 0.00 -0.20 -0.14 -1.00 0.00 0.00 0.00 175.10 173.77 2af2 s HIS 120 N -1.86 1.22 -1.58 5.22 3.76 0.34 -1.74 115.29 120.65 2af2 s HIS 120 Ca 0.33 -0.38 0.18 0.00 -0.15 0.00 0.00 55.06 55.05 2af2 s HIS 120 Cb -0.10 -0.72 0.94 0.00 1.11 0.00 0.00 32.58 33.82 2af2 s HIS 120 CO 0.27 0.04 1.52 0.39 -0.85 0.00 0.00 174.74 176.11 2af2 n GLU 121 N 1.76 0.33 -4.33 1.40 -0.58 0.75 -3.26 120.64 116.72 2af2 n GLU 121 Ca -0.19 0.09 -0.18 0.00 -0.42 0.00 0.00 57.16 56.47 2af2 n GLU 121 Cb 0.55 -1.50 -0.10 0.00 -0.57 0.00 0.00 31.44 29.82 2af2 n GLU 121 CO 0.00 0.00 0.00 0.15 -0.48 0.00 0.00 177.13 176.80 2af2 s LYS 122 N -2.42 1.28 1.00 3.49 -0.14 -1.26 -4.86 119.74 116.83 2af2 s LYS 122 Ca 0.19 -1.57 -0.14 0.00 -1.36 0.00 0.00 55.97 53.09 2af2 s LYS 122 Cb 0.12 -1.01 0.08 0.00 -1.68 0.00 0.00 37.83 35.34 2af2 s LYS 122 CO 0.25 0.15 0.41 0.00 -0.76 0.00 0.00 175.35 175.40 2af2 n ALA 123 N -0.35 -2.83 -3.00 5.17 0.00 -0.85 -1.07 120.51 117.58 2af2 n ALA 123 Ca -0.08 -0.80 -0.33 0.00 0.00 0.00 0.00 53.44 52.22 2af2 n ALA 123 Cb 0.61 -1.78 -0.13 0.00 0.00 0.00 0.00 19.45 18.15 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 -2.05 4.45 0.00 0.00 -1.08 -1.26 -4.27 116.67 112.46 2af2 s ASP 124 Ca 0.58 -0.21 0.28 0.00 -0.52 0.00 0.00 52.55 52.68 2af2 s ASP 124 Cb -0.19 -1.70 1.03 0.00 -1.46 0.00 0.00 42.92 40.60 2af2 s ASP 124 CO 0.66 0.17 1.76 -0.90 0.52 0.00 0.00 175.17 177.39 2af2 n ASP 125 N 3.50 0.30 -3.01 -0.34 5.68 -0.55 -4.84 116.55 117.29 2af2 n ASP 125 Ca -0.18 -0.09 -0.18 0.00 -0.50 0.00 0.00 54.79 53.84 2af2 n ASP 125 Cb 0.53 -0.14 0.07 0.00 -1.14 0.00 0.00 41.12 40.43 2af2 n ASP 125 CO 0.00 0.00 0.00 0.18 -1.33 0.00 0.00 177.20 176.05 2af2 n LEU 126 N -1.31 -3.26 0.00 -2.12 4.77 -1.25 -3.96 117.00 109.87 2af2 n LEU 126 Ca 0.09 -0.45 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 2af2 n LEU 126 Cb 0.32 -2.58 0.00 0.00 -2.33 0.00 0.00 43.42 38.82 2af2 n LEU 126 CO 0.28 0.49 0.00 0.61 -1.33 0.00 0.00 177.39 177.44 2af2 n GLY 127 N -1.60 2.73 3.03 -0.72 0.00 -0.82 -4.40 105.19 103.41 2af2 n GLY 127 Ca -0.05 -0.86 -0.05 0.00 0.00 0.00 0.00 46.02 45.07 2af2 n GLY 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2af2 s LYS 128 N 0.00 0.81 -0.01 1.61 -0.14 -1.25 -3.63 119.74 117.12 2af2 s LYS 128 Ca 0.00 -0.54 -0.01 0.00 -1.36 0.00 0.00 55.97 54.05 2af2 s LYS 128 Cb 0.00 -0.16 -0.00 0.00 -1.68 0.00 0.00 37.83 35.99 2af2 s LYS 128 CO 0.00 -1.21 -0.02 0.41 -0.76 0.00 0.00 175.35 173.76 2af2 n GLY 129 N 4.18 -0.47 0.00 -3.33 0.00 -1.26 -5.09 105.19 99.22 2af2 n GLY 129 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 1.54 0.40 0.00 -0.02 0.00 -1.26 -5.09 105.19 100.76 2af2 n GLY 130 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2af2 n GLY 130 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2af2 n ASN 131 N 0.00 0.22 -0.21 1.61 3.02 -1.26 -4.85 115.26 113.79 2af2 n ASN 131 Ca 0.00 0.00 0.02 0.00 -0.03 0.00 0.00 54.58 54.57 2af2 n ASN 131 Cb 0.00 0.00 0.11 0.00 -0.61 0.00 0.00 39.78 39.28 2af2 n ASN 131 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2af2 h GLU 132 N 0.00 0.15 -0.60 3.52 4.81 -2.00 -1.98 114.58 118.48 2af2 h GLU 132 Ca 0.00 -0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.30 2af2 h GLU 132 Cb 0.00 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.31 2af2 h GLU 132 CO 0.00 0.10 0.40 0.93 -0.73 0.00 0.00 179.01 179.71 2af2 h GLU 133 N 0.15 0.48 -0.76 1.92 4.39 -1.96 0.14 114.58 118.95 2af2 h GLU 133 Ca 0.33 -0.03 0.22 0.00 0.34 0.00 0.00 59.36 60.23 2af2 h GLU 133 Cb 0.54 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.05 2af2 h GLU 133 CO -0.51 0.32 0.55 0.66 -1.16 0.00 0.00 179.01 178.86 2af2 h SER 134 N 0.50 0.00 0.09 1.42 4.64 -1.64 0.21 113.55 118.76 2af2 h SER 134 Ca 0.27 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 61.23 2af2 h SER 134 Cb 0.41 -0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.44 2af2 h SER 134 CO -0.08 0.00 -2.28 0.35 -0.87 0.00 0.00 176.83 173.96 2af2 n THR 135 N -4.31 1.49 -0.08 2.95 -2.24 0.38 -3.22 114.28 109.25 2af2 n THR 135 Ca 0.15 -0.74 -0.23 0.00 -2.27 0.00 0.00 64.05 60.96 2af2 n THR 135 Cb 0.83 -0.97 -0.12 0.00 -2.10 0.00 0.00 70.33 67.96 2af2 n THR 135 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2af2 n LYS 136 N -3.03 0.63 0.00 -0.78 2.85 -0.49 -4.05 118.16 113.30 2af2 n LYS 136 Ca -0.34 0.40 0.00 0.00 -1.05 0.00 0.00 58.31 57.32 2af2 n LYS 136 Cb 1.08 -1.68 0.00 0.00 -0.65 0.00 0.00 35.03 33.78 2af2 n LYS 136 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2af2 n THR 137 N -4.03 0.00 -1.59 0.58 -2.24 -0.67 -4.14 114.28 102.19 2af2 n THR 137 Ca -0.37 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.40 2af2 n THR 137 Cb 0.85 -0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 68.93 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 3.54 0.11 4.37 3.38 0.00 -0.88 -4.58 105.19 111.13 2af2 n GLY 138 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 -0.33 1.61 4.05 -0.03 -1.48 115.26 119.09 2af2 n ASN 139 Ca -0.07 0.00 0.17 0.00 0.45 0.00 0.00 54.58 55.13 2af2 n ASN 139 Cb 0.35 -1.48 0.40 0.00 1.23 0.00 0.00 39.78 40.28 2af2 n ASN 139 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2af2 h ALA 140 N 0.00 1.90 0.00 5.20 0.00 -1.86 -3.46 119.26 121.04 2af2 h ALA 140 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2af2 h ALA 140 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2af2 h ALA 140 CO 0.00 -0.28 0.00 0.41 0.00 0.00 0.00 179.25 179.38 2af2 n GLY 141 N -1.39 1.74 3.55 0.00 0.00 -1.26 -4.40 105.19 103.43 2af2 n GLY 141 Ca 0.24 -0.56 -0.59 0.00 0.00 0.00 0.00 46.02 45.10 2af2 n GLY 141 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2af2 n SER 142 N 7.05 1.68 -4.76 1.61 7.64 -1.26 -4.87 113.62 120.71 2af2 n SER 142 Ca 0.00 0.87 -0.31 0.00 1.01 0.00 0.00 58.87 60.44 2af2 n SER 142 Cb 0.00 -1.05 0.10 0.00 -1.01 0.00 0.00 64.21 62.25 2af2 n SER 142 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2af2 s ARG 143 N 4.58 2.13 0.00 1.43 1.04 -1.26 -0.18 118.95 126.70 2af2 s ARG 143 Ca 1.07 1.14 0.00 0.00 -1.04 0.00 0.00 55.73 56.91 2af2 s ARG 143 Cb -1.23 -1.88 0.00 0.00 -2.04 0.00 0.00 34.95 29.80 2af2 s ARG 143 CO 0.66 -1.72 0.00 1.47 -0.04 0.00 0.00 175.30 175.67 2af2 n LEU 144 N -3.57 0.00 -4.67 -1.89 -0.00 -0.71 -4.45 117.00 101.71 2af2 n LEU 144 Ca 0.09 0.00 -0.45 0.00 -0.00 0.00 0.00 56.01 55.64 2af2 n LEU 144 Cb 0.53 0.00 -0.03 0.00 -0.00 0.00 0.00 43.42 43.92 2af2 n LEU 144 CO 0.54 0.00 1.09 0.00 -0.00 0.00 0.00 177.39 179.01 2af2 n ALA 145 N -3.00 1.17 -2.67 1.47 0.00 -1.26 -4.64 120.51 111.58 2af2 n ALA 145 Ca 0.00 0.43 -0.19 0.00 0.00 0.00 0.00 53.44 53.68 2af2 n ALA 145 Cb 0.00 -2.30 -0.13 0.00 0.00 0.00 0.00 19.45 17.02 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 -1.15 -0.61 0.66 0.00 0.00 -0.50 -0.81 107.32 104.91 2af2 s GLY 147 Ca 0.00 0.53 -0.11 0.00 0.00 0.00 0.00 44.72 45.14 2af2 s GLY 147 CO 0.01 0.19 1.06 0.14 0.00 0.00 0.00 173.10 174.50 2af2 s VAL 148 N -3.64 4.16 -1.34 1.40 1.01 -1.26 -1.02 120.40 119.71 2af2 s VAL 148 Ca 0.01 0.70 -0.08 0.00 0.00 0.00 0.00 61.98 62.61 2af2 s VAL 148 Cb -0.01 -3.67 0.12 0.00 0.00 0.00 0.00 36.38 32.81 2af2 s VAL 148 CO -0.12 -0.92 2.23 -0.38 0.00 0.00 0.00 175.10 175.91 2af2 n ILE 149 N -2.89 4.72 -2.21 2.22 2.08 -0.54 -1.77 119.36 120.98 2af2 n ILE 149 Ca 0.06 -4.14 -0.41 0.00 0.56 0.00 0.00 62.75 58.83 2af2 n ILE 149 Cb 0.55 -2.26 -0.03 0.00 -0.75 0.00 0.00 39.64 37.15 2af2 n ILE 149 CO 0.00 0.00 0.00 -0.83 0.56 0.00 0.00 176.55 176.28 2af2 s GLY 150 N 0.85 2.97 0.35 7.39 0.00 -0.91 -4.29 107.32 113.68 2af2 s GLY 150 Ca 0.49 1.17 -0.25 0.00 0.00 0.00 0.00 44.72 46.12 2af2 s GLY 150 CO -0.05 1.83 1.00 -0.26 0.00 0.00 0.00 173.10 175.62 2af2 s ILE 151 N -1.03 3.97 -0.04 0.90 -5.25 -1.26 -0.50 121.20 117.99 2af2 s ILE 151 Ca 0.49 1.60 0.03 0.00 -0.99 0.00 0.00 60.65 61.77 2af2 s ILE 151 Cb -0.38 -3.87 -0.04 0.00 2.95 0.00 0.00 42.46 41.12 2af2 s ILE 151 CO 0.49 0.10 0.07 0.00 -1.79 0.00 0.00 174.94 173.81 2af2 n ALA 152 N 0.34 2.16 -0.20 2.27 0.00 -0.34 -4.82 120.51 119.93 2af2 n ALA 152 Ca 0.03 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2af2 n ALA 152 Cb 0.50 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.85 2af2 n ALA 152 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44